*HEADER    TRANSPORT PROTEIN                       15-FEB-08   2K0Y              
*TITLE     THE ACTINORHODIN APO ACYL CARRIER PROTEIN FROM S. COELICOLOR          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER              
*COMPND   3 PROTEIN;                                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 SYNONYM: ACP, ACTI ORF3;                                             
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR;                        
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   4 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   5 EXPRESSION_SYSTEM_VARIANT: DE3;                                      
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR: PET11C;                                    
*SOURCE   7 OTHER_DETAILS: ACTINORHODIN ACYL CARRIER PROTEIN (ACT ACP)           
*SOURCE   8 FROM S. COELICOLOR WAS HETEROLOGOUSLY OVEREXPRESSED   IN             
*SOURCE   9 ITS APO FORM IN E. COLI BL21 (DE3) CELLS. THESE CELLS                
*SOURCE  10 CONTAINED THE PLASMID PET11C   C17S ACT ACP (COURTESY OF             
*SOURCE  11 DR. TOM NICHOLSON). THIS IPTG INDUCIBLE VECTOR IS BOTH               
*SOURCE  12 EASIER TO USE   AND MORE RELIABLE THAN THE HEAT INDUCIBLE            
*SOURCE  13 PT7-7 VERSION ORIGINALLY CONSTRUCTED.                                
*KEYWDS    ACYL CARRIER PROTEIN, ACTINORHODIN, POLYKETIDE, ANTIBIOTIC,           
*KEYWDS   2 ANTIBIOTIC BIOSYNTHESIS, PHOSPHOPANTETHEINE, TRANSPORT               
*KEYWDS   3 PROTEIN                                                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.P.CRUMP, S.E.EVANS, W.CHRISTOPHER                                   
*REVDAT   2   02-DEC-08 2K0Y    1                                                
*REVDAT   1   16-SEP-08 2K0Y    0                                                

!ARIA 1.2 NOE input file containing NOEs classed as ambiguous

 ASSI  {1178} 4 HG 52 HD2% 3.300 3.300 2.700 peak 1178 volume 0.29690E-02 ppm1 1.723 ppm2 1.074  
   OR  {1178} 4 HG 10 HD1%  
   OR  {1178} 4 HG 74 HD1%  
   OR  {1178} 4 HG 74 HD2%   
 ASSIs {121} 4 HG 79 HD21 2.800 1.000 1.000 peak 121 volume 0.14626E-02 ppm1 1.707 ppm2 7.329  
   ORs {121} 75 HG 79 HD21   
 ASSIs {122} 4 HB1 79 HD21 3.300 1.400 1.400 peak 122 volume 0.15639E-02 ppm1 1.607 ppm2 7.329  
   ORs {122} 5 HB1 79 HD21  
   ORs {122} 5 HG 79 HD21   
 ASSIs {126} 4 HB1 79 HD22 3.600 1.600 1.600 peak 126 volume 0.90556E-03 ppm1 1.608 ppm2 7.668  
   ORs {126} 5 HB1 79 HD22   
 ASSIs {1764} 4 HD1% 79 HB1 4.400 2.400 1.600 peak 1764 volume 0.60098E-03 ppm1 0.898 ppm2 3.101  
   ORs {1764} 78 HG2% 79 HB1   
 ASSIs {1765} 4 HD1% 79 HB2 4.600 2.700 1.400 peak 1765 volume 0.80244E-03 ppm1 0.896 ppm2 2.775  
   ORs {1765} 78 HG2% 79 HB2  
   OR  {182} 78 HG2% 85 HB%   
 ASSI  {2228} 4 HB1 79 HD21 3.500 1.600 1.600 peak 2228 volume 0.10911E-02 ppm1 1.615 ppm2 7.330  
   OR  {2228} 5 HB1 79 HD21   
 ASSIs {489} 4 HD2% 79 HN 4.300 2.300 1.700 peak 489 volume 0.75796E-03 ppm1 0.979 ppm2 8.881   
 ASSI  {2573} 4 HA 82 HD2% 2.800 1.000 1.000 peak 2573 volume 0.48134E-02 ppm1 4.385 ppm2 0.988  
   OR  {2573} 4 HA 4 HD2%  
   OR  {2573} 4 HA 82 HD1%  
   OR  {2578} 4 HA 82 HB1  
   OR  {2578} 13 HA 51 HB2  
   OR  {2578} 13 HA 52 HG   
 ASSIs {772} 5 HA 10 HD1% 5.000 3.200 1.000 peak 772 volume 0.49032E-03 ppm1 4.538 ppm2 1.055  
   ORs {772} 5 HA 52 HD2%  
   OR  {776} 45 HD1% 68 HN   
 ASSI  {943} 5 HD1% 10 HD2% 4.400 2.400 1.600 peak 943 volume 0.43759E-03 ppm1 0.642 ppm2 1.154  
   OR  {943} 5 HD1% 48 HG2%   
 ASSIs {679} 5 HD1% 52 HD2% 2.300 2.300 3.700 peak 679 volume 0.73767E-02 ppm1 0.655 ppm2 1.054  
   ORs {679} 5 HD1% 10 HD1%  
   ORs {679} 5 HD2% 52 HD2%   
 ASSI  {905} 5 HD2% 52 HD1% 2.900 1.000 1.000 peak 905 volume 0.55889E-02 ppm1 0.682 ppm2 0.875  
   OR  {905} 5 HD2% 78 HG2%  
   OR  {907} 5 HD2% 75 HG  
   OR  {907} 5 HD2% 78 HG11   
 ASSI  {944} 5 HD1% 52 HD2% 2.500 0.800 0.800 peak 944 volume 0.43545E-02 ppm1 0.642 ppm2 1.058  
   OR  {944} 5 HD1% 10 HD1%   
 ASSI  {945} 5 HD1% 52 HD1% 2.400 0.700 0.700 peak 945 volume 0.35374E-02 ppm1 0.642 ppm2 0.892  
   OR  {945} 5 HD1% 78 HG2%   
 ASSI  {904} 5 HD2% 58 HG1% 3.800 1.800 1.800 peak 904 volume 0.13976E-02 ppm1 0.681 ppm2 0.952  
   OR  {904} 5 HD2% 58 HG2%  
   ORs {904} 4 HD2% 5 HD2%   
 ASSI  {2197} 5 HB1 75 HD2% 3.400 1.500 1.500 peak 2197 volume 0.29541E-02 ppm1 1.609 ppm2 0.889  
   OR  {2197} 4 HB1 4 HD1%  
   OR  {2197} 5 HB1 52 HD1%  
   OR  {2197} 5 HB1 78 HG2%   
 ASSIs {876} 5 HB2 75 HD1% 2.800 1.000 1.000 peak 876 volume 0.21747E-02 ppm1 1.330 ppm2 0.806   
 ASSI  {1084} 5 HN 78 HD1% 4.100 2.100 1.900 peak 1084 volume 0.46673E-03 ppm1 9.419 ppm2 0.802  
   OR  {1084} 5 HN 75 HD1%  
   OR  {1089} 60 HN 77 HD1%   
 ASSI  {1249} 5 HG 78 HD1% 3.700 1.800 1.800 peak 1249 volume 0.13574E-02 ppm1 1.581 ppm2 0.809  
   OR  {1249} 5 HG 75 HD1%   
 ASSIs {182} 5 HG 78 HG2% 3.000 1.100 1.100 peak 182 volume 0.21981E-02 ppm1 1.611 ppm2 0.877  
   ORs {182} 4 HB1 78 HG2%  
   ORs {182} 5 HB1 78 HG2%   
 ASSI  {2196} 5 HB2 78 HD1% 2.600 0.800 0.800 peak 2196 volume 0.22840E-02 ppm1 1.336 ppm2 0.810  
   OR  {2196} 5 HB2 75 HD1%   
 ASSI  {2198} 5 HB1 78 HD1% 3.300 1.400 1.400 peak 2198 volume 0.17519E-02 ppm1 1.613 ppm2 0.807  
   OR  {2198} 5 HB1 75 HD1%   
 ASSI  {949} 5 HD1% 78 HG11 4.100 2.100 1.900 peak 949 volume 0.77037E-03 ppm1 0.643 ppm2 1.719  
   OR  {949} 5 HD1% 75 HG  
   ORs {949} 4 HG 5 HD1%   
 ASSIs {967} 5 HN 82 HD2% 2.900 1.100 1.100 peak 967 volume 0.91845E-03 ppm1 9.416 ppm2 0.989  
   ORs {967} 5 HN 74 HG   
 ASSI  {312} 6 HN 75 HD1% 4.000 2.000 2.000 peak 312 volume 0.42888E-03 ppm1 8.996 ppm2 0.797  
   OR  {312} 6 HN 78 HD1%   
 ASSIs {890} 6 HA 75 HD1% 4.000 2.000 2.000 peak 890 volume 0.25695E-03 ppm1 4.779 ppm2 0.808  
   ORs {890} 30 HA 31 HD2%   
 ASSI  {3298} 7 HA 30 HZ 3.900 1.900 1.900 peak 3298 volume 0.78517E-03 ppm1 3.880 ppm2 7.353  
   OR  {3298} 7 HA 79 HD21   
 ASSIs {922} 7 HG2% 30 HN 4.500 2.500 1.500 peak 922 volume 0.31320E-03 ppm1 1.413 ppm2 8.066  
   ORs {922} 30 HB2 31 HD2%   
 ASSI  {3341} 7 HB 31 HD2% 4.800 2.900 1.200 peak 3341 volume 0.35290E-03 ppm1 4.342 ppm2 0.787  
   OR  {3341} 7 HB 75 HD1%   
 ASSIs {566} 7 HG2% 31 HN 4.500 2.500 1.500 peak 566 volume 0.43389E-03 ppm1 1.403 ppm2 7.538   
 ASSIs {830} 7 HA 31 HD1% 3.600 1.600 1.600 peak 830 volume 0.11495E-02 ppm1 3.889 ppm2 0.460   
 ASSIs {833} 7 HB 31 HD1% 3.500 1.500 1.500 peak 833 volume 0.40324E-03 ppm1 4.333 ppm2 0.462   
 ASSIs {1103} 7 HN 75 HD2% 3.800 1.800 1.800 peak 1103 volume 0.53183E-03 ppm1 8.862 ppm2 0.887   
 ASSI  {3286} 7 HA 75 HD1% 2.900 1.100 1.100 peak 3286 volume 0.19514E-02 ppm1 3.881 ppm2 0.804  
   OR  {3286} 7 HA 31 HD2%   
 ASSI  {354} 7 HN 75 HD1% 4.000 2.000 2.000 peak 354 volume 0.66930E-03 ppm1 8.851 ppm2 0.804  
   OR  {354} 7 HN 31 HD2%   
 ASSI  {672} 7 HG2% 75 HD2% 3.400 1.500 1.500 peak 672 volume 0.18705E-02 ppm1 1.397 ppm2 0.889  
   OR  {672} 7 HG2% 38 HD1%  
   OR  {674} 16 HN 16 HB1   
 ASSIs {899} 7 HN 75 HD1% 3.800 1.800 1.800 peak 899 volume 0.76560E-03 ppm1 8.858 ppm2 0.807  
   ORs {899} 7 HN 31 HD2%   
 ASSIs {892} 8 HN 75 HD1% 4.800 2.900 1.200 peak 892 volume 0.18129E-03 ppm1 8.287 ppm2 0.802  
   ORs {892} 45 HB1 47 HN   
 ASSIs {3488} 10 HD2% 30 HE% 3.100 1.200 1.200 peak 3488 volume 0.16786E-02 ppm1 1.140 ppm2 7.220  
   ORs {3488} 10 HD2% 30 HE%  
   ORs {3488} 11 HG2 30 HE%  
   ORs {3488} 11 HG2 30 HE%   
 ASSI  {792} 10 HD1% 30 HZ 4.600 2.600 1.400 peak 792 volume 0.42585E-03 ppm1 1.054 ppm2 7.342  
   OR  {792} 10 HD1% 79 HD21   
 ASSIs {3444} 10 HD2% 35 HZ 5.300 3.500 0.700 peak 3444 volume 0.17673E-03 ppm1 1.139 ppm2 6.876   
 ASSIs {3513} 10 HD2% 35 HE% 3.900 1.900 1.900 peak 3513 volume 0.94741E-03 ppm1 1.146 ppm2 6.935  
   ORs {3513} 10 HD2% 35 HE%   
 ASSIs {698} 10 HD1% 45 HD1% 3.500 1.500 1.500 peak 698 volume 0.12432E-02 ppm1 1.035 ppm2 0.211  
   OR  {700} 45 HD1% 78 HD1%   
 ASSI  {760} 10 HD1% 48 HB 3.600 1.600 1.600 peak 760 volume 0.99685E-03 ppm1 1.055 ppm2 4.423  
   OR  {760} 10 HD1% 13 HA  
   OR  {760} 10 HD1% 14 HA  
   ORs {760} 13 HA 52 HD2%   
 ASSIs {1053} 10 HA 52 HD1% 3.400 1.400 1.400 peak 1053 volume 0.10477E-02 ppm1 4.228 ppm2 0.878  
   ORs {1053} 51 HA 52 HD1%  
   ORs {1053} 73 HA 75 HD2%   
 ASSI  {2824} 10 HA 52 HD1% 3.400 1.400 1.400 peak 2824 volume 0.12263E-02 ppm1 4.225 ppm2 0.875  
   OR  {2824} 10 HA 75 HD2%   
 ASSI  {2826} 10 HA 52 HG 4.400 2.400 1.600 peak 2826 volume 0.46549E-03 ppm1 4.225 ppm2 2.034  
   OR  {2826} 10 HA 11 HB1  
   OR  {2826} 10 HA 11 HB2  
   OR  {2826} 10 HA 12 HB1  
   OR  {2826} 10 HA 12 HB2  
   OR  {2826} 10 HA 14 HB1   
 ASSI  {1290} 10 HD2% 71 HA 3.300 1.300 1.300 peak 1290 volume 0.19718E-02 ppm1 1.140 ppm2 4.238  
   OR  {1290} 10 HD2% 10 HA   
 ASSIs {3241} 10 HD2% 71 HA 3.000 1.100 1.100 peak 3241 volume 0.20213E-02 ppm1 1.138 ppm2 4.247  
   ORs {3241} 68 HG1% 71 HA   
 ASSIs {3247} 10 HG 71 HA 4.300 2.300 1.700 peak 3247 volume 0.38907E-03 ppm1 1.916 ppm2 4.253   
 ASSI  {1303} 10 HD2% 72 HN 5.300 3.500 0.700 peak 1303 volume 0.16350E-03 ppm1 1.141 ppm2 9.009  
   ORs {1303} 6 HN 10 HD2%   
 ASSIs {3003} 10 HD2% 72 HA 4.200 2.200 1.800 peak 3003 volume 0.61942E-03 ppm1 1.146 ppm2 3.620  
   ORs {3003} 68 HG1% 72 HA  
   OR  {3009} 53 HA 60 HG11   
 ASSI  {1293} 10 HD2% 74 HN 5.000 3.100 1.000 peak 1293 volume 0.30558E-03 ppm1 1.137 ppm2 7.691  
   OR  {1293} 10 HD2% 79 HD22   
 ASSI  {1252} 10 HD2% 75 HD2% 3.200 1.200 1.200 peak 1252 volume 0.30413E-02 ppm1 1.139 ppm2 0.883  
   OR  {1252} 10 HD2% 52 HD1%   
 ASSI  {1253} 10 HD2% 75 HD1% 2.600 0.900 0.900 peak 1253 volume 0.40388E-02 ppm1 1.139 ppm2 0.798  
   OR  {1253} 10 HD2% 31 HD2%  
   OR  {1253} 10 HD2% 78 HD1%   
 ASSI  {1257} 10 HD2% 75 HG 3.900 1.900 1.900 peak 1257 volume 0.15199E-02 ppm1 1.140 ppm2 1.710  
   OR  {1257} 10 HD2% 13 HB%  
   OR  {1257} 10 HD2% 74 HB2   
 ASSI  {1258} 10 HD2% 75 HB2 2.200 0.600 0.600 peak 1258 volume 0.61412E-02 ppm1 1.140 ppm2 1.568  
   OR  {1258} 10 HD2% 10 HB2   
 ASSI  {1279} 10 HD2% 75 HA 3.200 1.200 1.200 peak 1279 volume 0.18035E-02 ppm1 1.140 ppm2 3.896  
   ORs {1279} 7 HA 10 HD2%   
 ASSI  {2076} 10 HB1 75 HD1% 3.500 1.500 1.500 peak 2076 volume 0.15862E-02 ppm1 2.358 ppm2 0.805  
   OR  {2076} 10 HB1 31 HD2%  
   OR  {2076} 10 HB1 78 HD1%   
 ASSIs {2906} 10 HD2% 75 HA 3.100 1.200 1.200 peak 2906 volume 0.21634E-02 ppm1 1.136 ppm2 3.904   
 ASSI  {759} 10 HD1% 75 HA 3.300 1.400 1.400 peak 759 volume 0.13544E-02 ppm1 1.058 ppm2 3.909   
 ASSIs {779} 10 HD2% 75 HN 3.300 1.400 1.400 peak 779 volume 0.15322E-02 ppm1 1.143 ppm2 8.736  
   ORs {779} 68 HG1% 75 HN   
 ASSI  {809} 10 HD1% 75 HN 4.100 2.100 1.900 peak 809 volume 0.54867E-03 ppm1 1.052 ppm2 8.742  
   OR  {809} 10 HD1% 49 HN   
 ASSI  {829} 10 HN 75 HD1% 3.900 1.900 1.900 peak 829 volume 0.86088E-03 ppm1 8.099 ppm2 0.802  
   OR  {829} 10 HN 31 HD2%  
   OR  {830} 31 HD1% 75 HA   
 ASSI  {835} 10 HN 75 HD2% 4.400 2.400 1.600 peak 835 volume 0.53786E-03 ppm1 8.098 ppm2 0.893  
   OR  {835} 10 HN 14 HD2%  
   OR  {835} 10 HN 52 HD1%  
   OR  {837} 45 HD2% 69 HB1   
 ASSIs {877} 10 HD2% 75 HD1% 2.900 1.000 1.000 peak 877 volume 0.23670E-02 ppm1 1.152 ppm2 0.806  
   ORs {877} 10 HD2% 31 HD2%   
 ASSIs {879} 10 HG 75 HD1% 3.600 1.700 1.700 peak 879 volume 0.59412E-03 ppm1 1.926 ppm2 0.811   
 ASSIs {880} 10 HB1 75 HD1% 3.600 1.600 1.600 peak 880 volume 0.12687E-02 ppm1 2.355 ppm2 0.809  
   ORs {880} 10 HB1 31 HD2%   
 ASSI  {682} 10 HD1% 78 HD1% 2.400 0.700 0.700 peak 682 volume 0.68113E-02 ppm1 1.054 ppm2 0.811  
   OR  {682} 10 HD1% 31 HD2%  
   OR  {682} 10 HD1% 75 HD1%  
   OR  {684} 14 HD1% 15 HG1%  
   OR  {684} 14 HD1% 52 HD2%   
 ASSI  {1453} 11 HB2 26 HG 4.800 2.900 1.200 peak 1453 volume 0.34290E-03 ppm1 2.039 ppm2 1.591  
   OR  {1453} 11 HB1 26 HG  
   ORs {1453} 10 HB2 11 HB1  
   ORs {1453} 10 HB2 11 HB2   
 ASSI  {628} 11 HN 26 HD2% 4.900 3.000 1.100 peak 628 volume 0.31954E-03 ppm1 8.841 ppm2 0.805  
   OR  {628} 11 HN 31 HD2%  
   OR  {628} 11 HN 75 HD1%   
 ASSIs {2971} 11 HE 27 HA 3.200 1.300 1.300 peak 2971 volume 0.16763E-02 ppm1 7.317 ppm2 4.305   
 ASSIs {3475} 11 HB2 30 HZ 4.100 2.100 1.900 peak 3475 volume 0.62828E-03 ppm1 2.040 ppm2 7.359  
   OR  {3483} 30 HE% 71 HB2  
   OR  {3483} 30 HE% 71 HB2   
 ASSIs {3483} 11 HB2 30 HE% 2.800 1.000 1.000 peak 3483 volume 0.17719E-02 ppm1 2.036 ppm2 7.221  
   ORs {3483} 11 HB1 30 HE%  
   ORs {3483} 11 HB1 30 HE%  
   ORs {3483} 11 HB2 30 HE%   
 ASSIs {3486} 11 HG1 30 HE% 2.900 1.000 1.000 peak 3486 volume 0.22758E-02 ppm1 1.403 ppm2 7.223  
   ORs {3486} 7 HG2% 30 HE%  
   ORs {3486} 7 HG2% 30 HE%  
   ORs {3486} 11 HG1 30 HE%  
   OR  {3488} 30 HE% 48 HG2%   
 ASSIs {3310} 13 HB% 48 HA 3.900 1.900 1.900 peak 3310 volume 0.74813E-03 ppm1 1.676 ppm2 3.961   
 ASSIs {2303} 13 HA 51 HD1 3.400 1.500 1.500 peak 2303 volume 0.49825E-03 ppm1 4.407 ppm2 3.449   
 ASSIs {2308} 13 HA 51 HD2 3.600 1.600 1.600 peak 2308 volume 0.46805E-03 ppm1 4.410 ppm2 3.316  
   OR  {2313} 67 HD1 67 HA   
 ASSIs {1017} 13 HB% 52 HG 3.100 1.200 1.200 peak 1017 volume 0.13640E-02 ppm1 1.682 ppm2 2.062  
   ORs {1017} 50 HB% 52 HG  
   OR  {1018} 71 HG1 75 HD2%   
 ASSI  {261} 13 HB% 52 HG 3.000 1.100 1.100 peak 261 volume 0.24688E-02 ppm1 1.680 ppm2 2.053  
   OR  {261} 13 HB% 51 HB2   
 ASSI  {263} 13 HB% 52 HB1 4.000 2.000 2.000 peak 263 volume 0.11247E-02 ppm1 1.680 ppm2 2.215  
   OR  {263} 13 HB% 51 HB1  
   OR  {2637} 65 HA 77 HD1%  
   OR  {2637} 65 HA 77 HD2%   
 ASSIs {3467} 14 HB2 30 HZ 3.800 1.800 1.800 peak 3467 volume 0.66254E-03 ppm1 1.402 ppm2 7.359  
   ORs {3467} 7 HG2% 30 HZ  
   ORs {3467} 11 HG1 30 HZ  
   OR  {3469} 30 HZ 38 HD1%   
 ASSIs {3469} 14 HD2% 30 HZ 4.200 2.200 1.800 peak 3469 volume 0.24443E-03 ppm1 0.904 ppm2 7.362  
   OR  {3470} 30 HZ 31 HD2%   
 ASSIs {3470} 14 HD1% 30 HZ 4.600 2.700 1.400 peak 3470 volume 0.17708E-03 ppm1 0.794 ppm2 7.354  
   ORs {3470} 26 HD2% 30 HZ  
   OR  {3475} 30 HZ 71 HB2   
 ASSIs {3484} 14 HG 30 HE% 3.600 1.600 1.600 peak 3484 volume 0.86955E-03 ppm1 1.903 ppm2 7.223  
   ORs {3484} 10 HG 30 HE%  
   ORs {3484} 10 HG 30 HE%  
   ORs {3484} 14 HG 30 HE%  
   OR  {3486} 30 HE% 33 HB2  
   OR  {3486} 30 HE% 33 HB2   
 ASSIs {3454} 14 HD1% 35 HZ 5.800 4.200 0.200 peak 3454 volume 0.22289E-03 ppm1 0.773 ppm2 6.897  
   ORs {3454} 31 HD2% 35 HZ   
 ASSIs {3516} 14 HD2% 35 HE% 3.300 1.400 1.400 peak 3516 volume 0.11924E-02 ppm1 0.906 ppm2 6.937  
   ORs {3516} 14 HD2% 35 HE%   
 ASSIs {3517} 14 HD1% 35 HD% 3.800 1.800 1.800 peak 3517 volume 0.45319E-03 ppm1 0.775 ppm2 7.133  
   ORs {3517} 14 HD1% 35 HD%  
   ORs {3517} 31 HD2% 35 HD%   
 ASSIs {3518} 14 HD1% 35 HE% 3.200 1.300 1.300 peak 3518 volume 0.12785E-02 ppm1 0.774 ppm2 6.937  
   ORs {3518} 14 HD1% 35 HE%  
   ORs {3518} 31 HD2% 35 HE%  
   ORs {3518} 31 HD2% 35 HE%   
 ASSIs {3417} 14 HA 40 HE% 3.700 1.700 1.700 peak 3417 volume 0.79996E-03 ppm1 4.415 ppm2 6.738  
   OR  {3419} 40 HE% 43 HA  
   OR  {3419} 40 HE% 46 HA  
   OR  {3419} 40 HE% 47 HA  
   OR  {3419} 40 HE% 71 HA   
 ASSIs {700} 14 HD1% 45 HD1% 3.400 1.500 1.500 peak 700 volume 0.97689E-03 ppm1 0.778 ppm2 0.212   
 ASSI  {753} 14 HD1% 45 HA 4.100 2.100 1.900 peak 753 volume 0.53801E-03 ppm1 0.773 ppm2 3.925  
   OR  {753} 14 HD1% 15 HA   
 ASSI  {2788} 14 HA 48 HG2% 2.800 1.000 1.000 peak 2788 volume 0.26208E-02 ppm1 4.417 ppm2 1.138  
   OR  {2788} 14 HA 15 HG2%   
 ASSIs {552} 14 HN 48 HG2% 3.200 1.300 1.300 peak 552 volume 0.17849E-02 ppm1 8.429 ppm2 1.137   
 ASSIs {560} 14 HG 48 HG2% 3.100 1.200 1.200 peak 560 volume 0.22644E-02 ppm1 1.891 ppm2 1.136  
   ORs {560} 10 HG 48 HG2%  
   OR  {566} 31 HN 33 HB2   
 ASSI  {581} 14 HN 48 HG2% 3.500 1.500 1.500 peak 581 volume 0.15925E-02 ppm1 8.422 ppm2 1.139  
   OR  {581} 14 HN 15 HG2%  
   OR  {582} 14 HN 15 HG1%  
   OR  {582} 14 HN 52 HD2%   
 ASSIs {1608} 14 HD2% 71 HB1 3.500 1.500 1.500 peak 1608 volume 0.94697E-03 ppm1 0.915 ppm2 2.263  
   ORs {1608} 38 HD1% 71 HB1   
 ASSIs {3243} 14 HD2% 71 HA 3.700 1.700 1.700 peak 3243 volume 0.83704E-03 ppm1 0.916 ppm2 4.247  
   ORs {3243} 38 HD1% 71 HA  
   OR  {3247} 71 HA 77 HB2   
 ASSIs {2400} 15 HG1% 23 HA2 3.200 1.300 1.300 peak 2400 volume 0.69840E-03 ppm1 1.050 ppm2 4.086  
   ORs {2400} 15 HG1% 23 HA1   
 ASSIs {1000} 15 HG2% 26 HD2% 2.700 0.900 0.900 peak 1000 volume 0.40933E-02 ppm1 1.140 ppm2 0.812  
   ORs {1000} 11 HG2 26 HD2%  
   OR  {1004} 62 HN 64 HG2%   
 ASSIs {3573} 17 HB2 40 HD% 5.200 3.400 0.800 peak 3573 volume 0.14078E-03 ppm1 4.069 ppm2 6.976  
   ORs {3573} 17 HB2 40 HD%   
 ASSIs {509} 17 HB2 44 HB% 3.600 1.600 1.600 peak 509 volume 0.10112E-02 ppm1 4.072 ppm2 1.529  
   ORs {509} 42 HB1 44 HB%   
 ASSI  {3173} 17 HB1 47 HB2 4.900 2.900 1.100 peak 3173 volume 0.43205E-03 ppm1 4.154 ppm2 2.228  
   OR  {3173} 17 HB1 51 HB1   
 ASSI  {3174} 17 HB2 47 HB2 4.600 2.600 1.400 peak 3174 volume 0.57441E-03 ppm1 4.070 ppm2 2.227  
   OR  {3174} 17 HB2 51 HB1  
   OR  {3175} 17 HB1 48 HB   
 ASSIs {2306} 17 HA 51 HD2 3.500 1.500 1.500 peak 2306 volume 0.51626E-03 ppm1 4.574 ppm2 3.326  
   ORs {2306} 9 HA 12 HD2  
   OR  {2308} 12 HD2 13 HA  
   OR  {2308} 12 HD2 14 HA   
 ASSIs {2391} 18 HB% 23 HA2 2.800 2.800 3.200 peak 2391 volume 0.12568E-02 ppm1 1.557 ppm2 4.086  
   ORs {2391} 18 HB% 23 HA1  
   OR  {2400} 23 HA1 38 HG2%  
   OR  {2400} 23 HA2 38 HG2%   
 ASSIs {3397} 18 HB% 40 HE% 2.700 0.900 0.900 peak 3397 volume 0.46385E-02 ppm1 1.547 ppm2 6.737   
 ASSIs {1846} 24 HB 38 HB 4.300 2.300 1.700 peak 1846 volume 0.27016E-03 ppm1 4.255 ppm2 2.475   
 ASSIs {506} 24 HB 38 HG2% 4.400 2.400 1.600 peak 506 volume 0.29211E-03 ppm1 4.250 ppm2 1.079   
 ASSIs {3568} 24 HG2% 40 HD% 4.000 2.000 2.000 peak 3568 volume 0.37775E-03 ppm1 1.275 ppm2 6.975  
   ORs {3568} 24 HG2% 40 HD%  
   OR  {3569} 40 HD% 43 HD2%  
   OR  {3569} 40 HD% 43 HD2%  
   OR  {3569} 40 HD% 74 HD1%  
   OR  {3569} 40 HD% 74 HD1%  
   OR  {3569} 40 HD% 74 HD2%  
   OR  {3569} 40 HD% 74 HD2%   
 ASSI  {2553} 26 HA 38 HG2% 4.300 2.300 1.700 peak 2553 volume 0.64784E-03 ppm1 4.378 ppm2 1.094  
   OR  {2553} 26 HA 33 HD2%  
   OR  {2554} 81 HA 82 HD2%   
 ASSI  {783} 26 HD1% 40 HD% 4.600 2.600 1.400 peak 783 volume 0.34046E-03 ppm1 0.709 ppm2 6.960   
 ASSIs {1827} 30 HE% 35 HB1 4.600 2.600 1.400 peak 1827 volume 0.32107E-03 ppm1 7.236 ppm2 3.622   
 ASSIs {3089} 30 HE% 35 HA 3.800 1.800 1.800 peak 3089 volume 0.66132E-03 ppm1 7.229 ppm2 4.393  
   ORs {3089} 33 HN 35 HA  
   OR  {309} 68 HG2% 77 HB1   
 ASSI  {1913} 30 HB1 38 HD1% 4.700 2.800 1.300 peak 1913 volume 0.50190E-03 ppm1 3.302 ppm2 0.899  
   ORs {1913} 14 HD2% 30 HB1   
 ASSIs {301} 30 HB2 38 HG2% 3.500 1.500 1.500 peak 301 volume 0.10083E-02 ppm1 3.003 ppm2 1.083   
 ASSI  {3489} 30 HE% 38 HD1% 3.100 1.200 1.200 peak 3489 volume 0.12229E-02 ppm1 7.222 ppm2 0.912  
   OR  {3489} 30 HE% 38 HD1%  
   ORs {3489} 14 HD2% 30 HE%  
   ORs {3489} 14 HD2% 30 HE%  
   OR  {3490} 30 HE% 31 HD2%  
   OR  {3490} 30 HE% 31 HD2%   
 ASSI  {3590} 30 HD% 38 HG2% 3.600 1.600 1.600 peak 3590 volume 0.74765E-03 ppm1 7.321 ppm2 1.088  
   OR  {3590} 30 HD% 33 HD2%  
   OR  {3590} 30 HD% 33 HD2%  
   OR  {3590} 30 HD% 38 HG2%   
 ASSI  {3591} 30 HD% 38 HD1% 3.000 1.100 1.100 peak 3591 volume 0.13267E-02 ppm1 7.321 ppm2 0.906  
   OR  {3591} 30 HD% 38 HD1%  
   ORs {3591} 14 HD2% 30 HD%  
   OR  {3592} 30 HD% 31 HD2%  
   OR  {3592} 30 HD% 31 HD2%   
 ASSIs {63} 30 HB1 38 HD1% 3.700 1.700 1.700 peak 63 volume 0.58614E-03 ppm1 3.300 ppm2 0.894  
   ORs {63} 31 HA 38 HD1%   
 ASSIs {776} 30 HE% 45 HD1% 4.500 2.600 1.500 peak 776 volume 0.58886E-03 ppm1 7.240 ppm2 0.212   
 ASSIs {1562} 30 HE% 71 HB2 4.300 2.300 1.700 peak 1562 volume 0.74881E-03 ppm1 7.218 ppm2 2.022  
   ORs {1562} 33 HN 71 HB2   
 ASSIs {2497} 30 HE% 71 HD1 4.000 2.000 2.000 peak 2497 volume 0.81811E-03 ppm1 7.220 ppm2 4.033  
   ORs {2497} 33 HN 71 HD1   
 ASSI  {2819} 31 HA 38 HD1% 4.700 2.800 1.300 peak 2819 volume 0.43464E-03 ppm1 3.314 ppm2 0.914  
   OR  {2819} 31 HA 75 HD2%   
 ASSI  {428} 31 HD1% 71 HA 4.700 2.800 1.300 peak 428 volume 0.53173E-03 ppm1 0.461 ppm2 4.239  
   OR  {428} 31 HD1% 73 HA   
 ASSI  {840} 31 HD1% 71 HB1 3.600 1.600 1.600 peak 840 volume 0.24913E-02 ppm1 0.461 ppm2 2.238   
 ASSI  {2814} 31 HA 72 HB1 4.000 2.000 2.000 peak 2814 volume 0.64346E-03 ppm1 3.305 ppm2 1.887  
   ORs {2814} 10 HG 31 HA   
 ASSIs {2999} 31 HB1 72 HA 2.700 0.900 0.900 peak 2999 volume 0.43456E-02 ppm1 1.656 ppm2 3.620   
 ASSI  {898} 31 HD2% 72 HN 4.600 2.600 1.400 peak 898 volume 0.19085E-03 ppm1 0.801 ppm2 8.992  
   ORs {898} 6 HN 75 HD1%  
   OR  {899} 75 HD1% 79 HN   
 ASSI  {922} 31 HD2% 72 HD2 5.200 3.400 0.800 peak 922 volume 0.23255E-03 ppm1 0.794 ppm2 3.021  
   OR  {922} 30 HN 33 HB2  
   OR  {922} 31 HD2% 32 HB1   
 ASSI  {930} 31 HD2% 72 HH21 4.400 2.400 1.600 peak 930 volume 0.14146E-02 ppm1 0.791 ppm2 6.915  
   OR  {930} 31 HD2% 35 HE%  
   OR  {930} 31 HD2% 35 HZ  
   OR  {930} 31 HD2% 72 HH22  
   OR  {932} 31 HD2% 33 HN   
 ASSI  {819} 31 HD1% 75 HN 4.600 2.600 1.400 peak 819 volume 0.38912E-03 ppm1 0.454 ppm2 8.728  
   OR  {819} 31 HD1% 76 HN   
 ASSI  {844} 31 HD1% 75 HB2 3.500 1.500 1.500 peak 844 volume 0.14021E-02 ppm1 0.461 ppm2 1.557  
   ORs {844} 10 HB2 31 HD1%   
 ASSI  {2516} 32 HA 70 HG2% 3.100 1.200 1.200 peak 2516 volume 0.18982E-02 ppm1 5.059 ppm2 1.090  
   OR  {2516} 32 HA 33 HD2%  
   OR  {2517} 32 HA 34 HG2  
   OR  {2517} 32 HA 72 HB2   
 ASSI  {2102} 33 HB1 38 HG2% 2.400 0.700 0.700 peak 2102 volume 0.47287E-02 ppm1 1.785 ppm2 1.083  
   OR  {2102} 33 HB1 33 HD2%   
 ASSIs {589} 33 HN 70 HG2% 4.400 2.400 1.600 peak 589 volume 0.38117E-03 ppm1 7.225 ppm2 1.099  
   ORs {589} 30 HE% 70 HG2%   
 ASSIs {603} 33 HA 70 HG2% 3.400 1.400 1.400 peak 603 volume 0.43618E-03 ppm1 4.320 ppm2 1.101   
 ASSI  {1320} 34 HG1 70 HG2% 3.300 1.300 1.300 peak 1320 volume 0.80502E-03 ppm1 1.950 ppm2 1.103  
   OR  {1320} 12 HG1 15 HG2%   
 ASSIs {370} 34 HN 70 HG2% 3.600 1.600 1.600 peak 370 volume 0.16859E-02 ppm1 8.466 ppm2 1.100  
   ORs {370} 35 HN 70 HG2%   
 ASSI  {384} 34 HN 70 HG2% 3.700 1.700 1.700 peak 384 volume 0.12010E-02 ppm1 8.487 ppm2 1.084  
   OR  {384} 34 HN 38 HG2%  
   ORs {384} 33 HD2% 34 HN  
   OR  {388} 15 HG1% 19 HA2   
 ASSIs {618} 34 HB1 70 HG2% 4.000 2.000 2.000 peak 618 volume 0.94551E-03 ppm1 2.181 ppm2 1.101  
   OR  {619} 11 HN 12 HG1   
 ASSI  {2321} 34 HD1 72 HH12 3.800 3.800 2.200 peak 2321 volume 0.72259E-03 ppm1 3.459 ppm2 6.893  
   OR  {2321} 34 HD1 35 HZ  
   OR  {2321} 34 HD1 72 HH11  
   OR  {2321} 34 HD1 72 HH21  
   OR  {2321} 34 HD1 72 HH22  
   OR  {233} 54 HN 81 HB%   
 ASSIs {1893} 35 HA 40 HB1 3.600 1.600 1.600 peak 1893 volume 0.17139E-02 ppm1 4.381 ppm2 3.013  
   ORs {1893} 26 HA 30 HB2  
   ORs {1893} 36 HA 40 HB1   
 ASSI  {3098} 35 HA 40 HB1 4.100 2.100 1.900 peak 3098 volume 0.99067E-03 ppm1 4.396 ppm2 3.006  
   OR  {3098} 35 HA 37 HB2  
   OR  {3104} 35 HA 71 HG1   
 ASSI  {3532} 35 HD% 40 HB1 3.600 1.600 1.600 peak 3532 volume 0.12516E-02 ppm1 7.132 ppm2 3.013  
   OR  {3532} 35 HD% 40 HB1  
   OR  {3532} 35 HD% 69 HB1  
   OR  {3532} 35 HD% 69 HB1   
 ASSI  {3533} 35 HD% 40 HB2 3.500 1.500 1.500 peak 3533 volume 0.13850E-02 ppm1 7.134 ppm2 2.817  
   OR  {3533} 35 HD% 40 HB2  
   OR  {3533} 35 HD% 71 HD2   
 ASSI  {3554} 35 HD% 40 HN 5.400 3.700 0.600 peak 3554 volume 0.24530E-03 ppm1 7.129 ppm2 8.083  
   OR  {3554} 35 HD% 40 HN  
   ORs {3554} 30 HN 35 HD%  
   OR  {3568} 40 HD% 68 HG2%  
   OR  {3568} 40 HD% 68 HG2%   
 ASSIs {3577} 35 HA 40 HD% 4.700 2.800 1.300 peak 3577 volume 0.56234E-03 ppm1 4.390 ppm2 6.977  
   ORs {3577} 14 HA 40 HD%  
   ORs {3577} 35 HA 40 HD%   
 ASSI  {3524} 35 HE% 45 HB2 5.300 3.500 0.700 peak 3524 volume 0.17555E-03 ppm1 6.941 ppm2 1.564  
   OR  {3524} 35 HE% 38 HG12  
   OR  {3524} 35 HE% 38 HG12  
   OR  {3524} 35 HE% 45 HB2  
   OR  {3524} 35 HE% 49 HB%  
   OR  {3524} 35 HE% 75 HB2  
   OR  {3524} 35 HE% 75 HB2  
   ORs {3524} 10 HB2 35 HE%  
   ORs {3524} 10 HB2 35 HE%   
 ASSI  {3512} 35 HD% 68 HG1% 4.600 2.600 1.400 peak 3512 volume 0.43108E-03 ppm1 7.129 ppm2 1.150  
   OR  {3512} 35 HD% 48 HG2%  
   OR  {3512} 35 HD% 48 HG2%  
   OR  {3512} 35 HD% 68 HG1%  
   ORs {3512} 10 HD2% 35 HD%  
   ORs {3512} 10 HD2% 35 HD%  
   OR  {3513} 35 HE% 68 HG1%  
   OR  {3513} 35 HE% 68 HG1%   
 ASSI  {3529} 35 HD% 68 HB 4.900 3.000 1.100 peak 3529 volume 0.32126E-03 ppm1 7.132 ppm2 2.450  
   OR  {3529} 35 HD% 38 HB  
   OR  {3529} 35 HD% 38 HB  
   OR  {3529} 35 HD% 68 HB  
   OR  {3529} 35 HD% 74 HB1  
   OR  {3529} 35 HD% 74 HB1   
 ASSI  {3530} 35 HE% 68 HB 3.300 1.400 1.400 peak 3530 volume 0.60901E-03 ppm1 6.937 ppm2 2.433  
   OR  {3530} 35 HE% 68 HB  
   OR  {3530} 35 HE% 74 HB1  
   OR  {3530} 35 HE% 74 HB1   
 ASSIs {2660} 35 HB1 69 HA 3.600 3.600 2.400 peak 2660 volume 0.28406E-03 ppm1 3.637 ppm2 5.270   
 ASSI  {3535} 35 HE% 69 HB1 4.800 2.900 1.200 peak 3535 volume 0.36229E-03 ppm1 6.935 ppm2 3.018  
   OR  {3535} 35 HE% 40 HB1  
   OR  {3535} 35 HE% 40 HB1  
   OR  {3535} 35 HE% 69 HB1   
 ASSI  {969} 35 HN 69 HB1 5.000 3.200 1.000 peak 969 volume 0.35891E-03 ppm1 8.452 ppm2 3.005  
   OR  {969} 33 HD2% 34 HE  
   OR  {969} 33 HD2% 40 HN  
   OR  {969} 35 HN 37 HB2  
   OR  {969} 35 HN 40 HB1   
 ASSI  {956} 35 HN 70 HG2% 4.200 2.200 1.800 peak 956 volume 0.99655E-03 ppm1 8.452 ppm2 1.097  
   OR  {956} 5 HD1% 55 HD2  
   OR  {956} 35 HN 38 HG2%   
 ASSI  {3457} 35 HZ 71 HG2 6.000 6.000 0.000 peak 3457 volume 0.37731E-04 ppm1 6.889 ppm2 1.362  
   OR  {3457} 35 HZ 45 HG   
 ASSI  {3508} 35 HD% 71 HG2 4.800 2.900 1.200 peak 3508 volume 0.33814E-03 ppm1 7.128 ppm2 1.353  
   OR  {3508} 35 HD% 45 HG  
   OR  {3508} 35 HD% 45 HG  
   OR  {3508} 35 HD% 71 HG2   
 ASSI  {3509} 35 HE% 71 HG2 4.400 2.400 1.600 peak 3509 volume 0.64726E-03 ppm1 6.936 ppm2 1.352  
   OR  {3509} 35 HE% 45 HG  
   OR  {3509} 35 HE% 45 HG  
   OR  {3509} 35 HE% 71 HG2   
 ASSI  {3536} 35 HE% 71 HD2 4.900 3.000 1.100 peak 3536 volume 0.35794E-03 ppm1 6.935 ppm2 2.803  
   OR  {3536} 35 HE% 40 HB2  
   OR  {3536} 35 HE% 40 HB2  
   OR  {3536} 35 HE% 71 HD2   
 ASSI  {3541} 35 HD% 71 HA 5.200 3.400 0.800 peak 3541 volume 0.24777E-03 ppm1 7.128 ppm2 4.252  
   OR  {3541} 35 HD% 39 HA1  
   OR  {3541} 35 HD% 71 HA  
   OR  {355} 12 HN 12 HB1  
   OR  {355} 12 HN 12 HB2   
 ASSI  {3514} 35 HD% 74 HG 4.800 2.800 1.200 peak 3514 volume 0.26702E-03 ppm1 7.132 ppm2 0.986  
   OR  {3514} 35 HD% 64 HG1%  
   OR  {3514} 35 HD% 64 HG1%  
   OR  {3514} 35 HD% 74 HG  
   OR  {3514} 35 HD% 77 HD2%  
   ORs {3514} 33 HD1% 35 HD%  
   ORs {3514} 33 HD1% 35 HD%   
 ASSI  {3515} 35 HE% 74 HG 3.800 1.800 1.800 peak 3515 volume 0.82259E-03 ppm1 6.939 ppm2 0.977  
   OR  {3515} 35 HE% 64 HG1%  
   OR  {3515} 35 HE% 64 HG1%  
   OR  {3515} 35 HE% 74 HG  
   OR  {3516} 35 HE% 38 HD1%  
   OR  {3516} 35 HE% 38 HD1%   
 ASSI  {3521} 35 HD% 74 HB2 5.000 3.200 1.000 peak 3521 volume 0.21638E-03 ppm1 7.132 ppm2 1.707  
   OR  {3521} 35 HD% 74 HB2  
   ORs {3521} 13 HB% 35 HD%   
 ASSIs {1018} 38 HD1% 71 HG1 2.900 1.000 1.000 peak 1018 volume 0.15401E-02 ppm1 0.903 ppm2 2.208  
   ORs {1018} 14 HD2% 71 HG1   
 ASSI  {1920} 40 HB1 45 HB2 3.800 1.800 1.800 peak 1920 volume 0.89748E-03 ppm1 3.007 ppm2 1.541  
   OR  {1920} 40 HB1 44 HB%  
   ORs {1920} 38 HG12 40 HB1   
 ASSI  {1927} 40 HB2 45 HB2 3.800 1.800 1.800 peak 1927 volume 0.13205E-02 ppm1 2.822 ppm2 1.533  
   OR  {1927} 40 HB2 44 HB%   
 ASSI  {1955} 40 HB1 45 HN 5.100 3.200 0.900 peak 1955 volume 0.26094E-03 ppm1 3.011 ppm2 8.443  
   ORs {1955} 35 HN 40 HB1   
 ASSI  {3398} 40 HE% 45 HB1 5.100 3.200 0.900 peak 3398 volume 0.34451E-03 ppm1 6.735 ppm2 1.661  
   ORs {3398} 13 HB% 40 HE%   
 ASSI  {3430} 40 HE% 45 HN 4.600 2.600 1.400 peak 3430 volume 0.40422E-03 ppm1 6.738 ppm2 8.417  
   OR  {3430} 40 HE% 47 HN  
   ORs {3430} 14 HN 40 HE%  
   OR  {3444} 35 HZ 68 HG1%   
 ASSI  {3570} 40 HD% 45 HB2 2.800 1.000 1.000 peak 3570 volume 0.39775E-02 ppm1 6.977 ppm2 1.541  
   OR  {3570} 40 HD% 44 HB%  
   OR  {3570} 40 HD% 44 HB%  
   OR  {3570} 40 HD% 45 HB2  
   ORs {3570} 38 HG12 40 HD%  
   ORs {3570} 38 HG12 40 HD%  
   OR  {3573} 40 HD% 42 HB1  
   OR  {3573} 40 HD% 42 HB1   
 ASSI  {3580} 40 HD% 45 HN 3.900 1.900 1.900 peak 3580 volume 0.47033E-03 ppm1 6.978 ppm2 8.420  
   OR  {3580} 40 HD% 45 HN  
   OR  {3580} 40 HD% 47 HN  
   OR  {3580} 40 HD% 47 HN  
   OR  {3584} 30 HD% 35 HA  
   OR  {3584} 30 HD% 35 HA   
 ASSIs {735} 40 HB2 45 HD1% 2.900 2.900 3.100 peak 735 volume 0.11156E-02 ppm1 2.817 ppm2 0.213  
   ORs {735} 51 HB2 52 HN   
 ASSIs {778} 40 HD% 45 HD1% 3.100 1.200 1.200 peak 778 volume 0.16645E-02 ppm1 6.957 ppm2 0.213  
   ORs {778} 35 HE% 45 HD1%   
 ASSIs {837} 40 HB1 45 HD2% 3.500 1.500 1.500 peak 837 volume 0.38076E-03 ppm1 2.997 ppm2 0.394  
   OR  {838} 45 HD2% 62 HB1   
 ASSIs {838} 40 HB2 45 HD2% 3.200 3.200 2.800 peak 838 volume 0.64001E-03 ppm1 2.822 ppm2 0.395  
   ORs {838} 41 HB2 45 HD2%   
 ASSI  {3114} 42 HB2 65 HB% 4.400 2.500 1.600 peak 3114 volume 0.44429E-03 ppm1 4.007 ppm2 1.389  
   OR  {3114} 42 HB2 45 HG   
 ASSI  {3115} 42 HB1 65 HB% 5.400 3.600 0.600 peak 3115 volume 0.30732E-03 ppm1 4.057 ppm2 1.386  
   OR  {3115} 42 HB1 45 HG   
 ASSIs {2404} 45 HB2 66 HA1 3.700 1.700 1.700 peak 2404 volume 0.34426E-03 ppm1 1.549 ppm2 4.136  
   ORs {2404} 49 HB% 66 HA1  
   OR  {242} 56 HN 82 HD1%  
   OR  {242} 56 HN 82 HD2%   
 ASSI  {847} 45 HD2% 68 HB 4.600 2.700 1.400 peak 847 volume 0.53061E-03 ppm1 0.395 ppm2 2.416  
   OR  {847} 45 HD2% 74 HB1   
 ASSI  {736} 45 HD1% 74 HB1 4.100 2.100 1.900 peak 736 volume 0.61446E-03 ppm1 0.213 ppm2 2.436  
   OR  {736} 45 HD1% 68 HB   
 ASSI  {850} 45 HD2% 74 HG 3.200 1.300 1.300 peak 850 volume 0.16872E-02 ppm1 0.391 ppm2 1.002  
   OR  {850} 45 HD2% 64 HG1%   
 ASSIs {158} 46 HB2 60 HD1% 3.000 3.000 3.000 peak 158 volume 0.10442E-02 ppm1 2.256 ppm2 0.854  
   ORs {158} 47 HB2 60 HD1%  
   OR  {1598} 46 HG1 49 HB%   
 ASSI  {1604} 46 HG2 60 HG2% 5.100 3.300 0.900 peak 1604 volume 0.18339E-03 ppm1 2.766 ppm2 1.006  
   OR  {1604} 46 HG2 64 HG1%  
   OR  {1605} 46 HG1 64 HG1%  
   OR  {1605} 46 HG1 74 HG  
   OR  {1605} 46 HG1 77 HD1%  
   OR  {1605} 46 HG1 77 HD2%   
 ASSI  {1531} 46 HB2 65 HB% 5.100 3.300 0.900 peak 1531 volume 0.41890E-03 ppm1 2.280 ppm2 1.414  
   ORs {1531} 11 HG1 15 HB  
   ORs {1531} 14 HB2 15 HB   
 ASSI  {1599} 46 HG1 65 HB% 4.700 2.700 1.300 peak 1599 volume 0.41249E-03 ppm1 2.881 ppm2 1.389  
   ORs {1599} 45 HG 46 HG1  
   OR  {160} 57 HN 58 HA   
 ASSIs {271} 46 HN 65 HB% 3.200 1.300 1.300 peak 271 volume 0.41200E-03 ppm1 8.336 ppm2 1.391  
   ORs {271} 48 HN 65 HB%   
 ASSI  {2909} 46 HA 65 HB% 3.300 1.400 1.400 peak 2909 volume 0.13400E-02 ppm1 4.259 ppm2 1.390  
   ORs {2909} 45 HG 46 HA   
 ASSI  {1572} 46 HG2 66 HA2 4.900 3.000 1.100 peak 1572 volume 0.25682E-03 ppm1 2.771 ppm2 3.918  
   ORs {1572} 45 HA 46 HG2  
   OR  {158} 60 HD1% 71 HB1  
   OR  {158} 60 HD1% 84 HB1   
 ASSI  {3339} 48 HB 74 HG 4.100 2.100 1.900 peak 3339 volume 0.38062E-03 ppm1 4.434 ppm2 1.009  
   OR  {3339} 48 HB 60 HG2%   
 ASSI  {224} 49 HB% 60 HG2% 3.100 1.200 1.200 peak 224 volume 0.40230E-02 ppm1 1.542 ppm2 1.039  
   OR  {224} 49 HB% 52 HD2%   
 ASSI  {225} 49 HB% 60 HD1% 2.600 0.800 0.800 peak 225 volume 0.29286E-02 ppm1 1.542 ppm2 0.855  
   OR  {225} 49 HB% 52 HD1%   
 ASSI  {2686} 49 HA 60 HD1% 2.500 0.800 0.800 peak 2686 volume 0.41246E-02 ppm1 3.965 ppm2 0.865  
   OR  {2686} 49 HA 52 HD1%   
 ASSIs {57} 49 HA 60 HD1% 3.500 1.500 1.500 peak 57 volume 0.18293E-02 ppm1 3.969 ppm2 0.852   
 ASSIs {1055} 49 HA 74 HG 3.400 3.400 2.600 peak 1055 volume 0.81431E-03 ppm1 3.954 ppm2 0.994  
   ORs {1055} 65 HA 74 HG   
 ASSIs {406} 49 HA 74 HD1% 3.200 1.300 1.300 peak 406 volume 0.13269E-02 ppm1 3.971 ppm2 1.078  
   ORs {406} 49 HA 74 HD2%  
   ORs {406} 65 HA 74 HD2%  
   OR  {408} 73 HN 74 HD1%  
   OR  {408} 73 HN 74 HD2%   
 ASSIs {665} 49 HB% 74 HD2% 3.000 1.100 1.100 peak 665 volume 0.20139E-02 ppm1 1.539 ppm2 1.074  
   ORs {665} 49 HB% 74 HD1%  
   ORs {665} 75 HA 78 HN  
   OR  {667} 78 HN 79 HA   
 ASSI  {1013} 49 HN 78 HD1% 4.600 2.700 1.400 peak 1013 volume 0.25370E-03 ppm1 8.756 ppm2 0.796   
 ASSIs {54} 50 HA 60 HD1% 3.500 1.500 1.500 peak 54 volume 0.45679E-03 ppm1 4.293 ppm2 0.854   
 ASSIs {525} 52 HA 58 HG1% 3.800 1.800 1.800 peak 525 volume 0.23166E-03 ppm1 4.318 ppm2 0.934  
   OR  {526} 85 HB% 86 HA   
 ASSI  {1030} 52 HD1% 82 HG 4.000 2.000 2.000 peak 1030 volume 0.34048E-03 ppm1 0.874 ppm2 1.866  
   OR  {1030} 52 HD1% 77 HG  
   OR  {1030} 75 HD2% 77 HG  
   OR  {1030} 75 HD2% 82 HG  
   ORs {1030} 72 HB1 75 HD2%   
 ASSIs {209} 53 HA 58 HN 2.300 0.700 0.700 peak 209 volume 0.62682E-02 ppm1 4.108 ppm2 7.514  
   ORs {209} 57 HA1 58 HN  
   ORs {209} 57 HA2 58 HN   
 ASSI  {1638} 53 HG1 60 HG11 4.200 2.200 1.800 peak 1638 volume 0.35812E-03 ppm1 2.744 ppm2 1.480  
   ORs {1638} 52 HB2 53 HG1   
 ASSI  {1640} 53 HG1 60 HG2% 6.000 4.700 0.000 peak 1640 volume 0.20375E-03 ppm1 2.749 ppm2 1.041  
   ORs {1640} 52 HD2% 53 HG1  
   OR  {165} 80 HN 82 HD1%  
   OR  {165} 80 HN 82 HD2%   
 ASSI  {636} 53 HN 60 HD1% 4.300 2.300 1.700 peak 636 volume 0.78653E-03 ppm1 8.990 ppm2 0.866  
   ORs {636} 52 HD1% 53 HN   
 ASSIs {27} 53 HA 78 HD1% 3.000 3.000 3.000 peak 27 volume 0.62239E-03 ppm1 4.105 ppm2 0.807  
   ORs {27} 54 HB2 78 HD1%  
   ORs {27} 55 HA 78 HD1%  
   ORs {27} 57 HA2 78 HD1%   
 ASSIs {69} 53 HG1 78 HD1% 3.000 3.000 3.000 peak 69 volume 0.70001E-03 ppm1 2.762 ppm2 0.808  
   OR  {691} 82 HN 82 HD1%  
   OR  {691} 82 HN 82 HD2%   
 ASSIs {186} 56 HB2 78 HG2% 3.800 1.800 1.800 peak 186 volume 0.75407E-03 ppm1 2.795 ppm2 0.879   
 ASSI  {1853} 56 HB1 82 HD1% 2.500 0.800 0.800 peak 1853 volume 0.43724E-02 ppm1 3.463 ppm2 0.987  
   OR  {1853} 56 HB1 58 HG2%  
   OR  {1853} 56 HB1 82 HD2%   
 ASSI  {1855} 56 HB2 82 HD1% 3.100 1.200 1.200 peak 1855 volume 0.27969E-02 ppm1 2.804 ppm2 0.983  
   OR  {1855} 56 HB2 58 HG2%  
   OR  {1855} 56 HB2 82 HD2%  
   OR  {1855} 63 HB1 64 HG1%  
   OR  {186} 78 HG2% 79 HB2   
 ASSIs {862} 56 HA 82 HD1% 3.100 1.200 1.200 peak 862 volume 0.54244E-03 ppm1 4.690 ppm2 0.999  
   ORs {862} 58 HA 82 HD1%   
 ASSIs {870} 56 HB2 82 HD1% 3.900 1.900 1.900 peak 870 volume 0.82551E-03 ppm1 2.811 ppm2 0.998  
   ORs {870} 41 HB2 43 HD1%   
 ASSIs {3188} 58 HB 78 HA 4.700 2.700 1.300 peak 3188 volume 0.31421E-03 ppm1 2.132 ppm2 3.762  
   ORs {3188} 58 HB 59 HB2  
   OR  {3190} 78 HA 82 HG   
 ASSI  {339} 58 HG1% 78 HA 3.600 1.600 1.600 peak 339 volume 0.12700E-02 ppm1 0.933 ppm2 3.766  
   OR  {339} 58 HG1% 59 HB2   
 ASSIs {1050} 58 HG2% 81 HN 4.300 2.300 1.700 peak 1050 volume 0.45865E-03 ppm1 0.984 ppm2 7.606  
   ORs {1050} 7 HA 75 HD2%   
 ASSIs {2554} 58 HG2% 81 HA 4.800 2.900 1.200 peak 2554 volume 0.34066E-03 ppm1 0.969 ppm2 4.470   
 ASSIs {262} 58 HB 81 HB% 3.300 1.400 1.400 peak 262 volume 0.22272E-02 ppm1 2.143 ppm2 1.639   
 ASSI  {2921} 58 HA 81 HB% 4.100 2.100 1.900 peak 2921 volume 0.97023E-03 ppm1 4.696 ppm2 1.635  
   ORs {2921} 55 HB2 56 HA  
   OR  {2927} 56 HA 57 HA1  
   OR  {2927} 56 HA 57 HA2   
 ASSIs {302} 58 HA 81 HB% 3.300 1.300 1.300 peak 302 volume 0.38525E-03 ppm1 4.690 ppm2 1.640  
   ORs {302} 60 HA 81 HB%  
   OR  {3020} 11 HA 14 HG   
 ASSI  {524} 58 HG1% 82 HN 4.100 2.100 1.900 peak 524 volume 0.49631E-03 ppm1 0.933 ppm2 8.290  
   OR  {524} 58 HG1% 78 HN  
   OR  {525} 58 HG1% 74 HA  
   OR  {525} 58 HG1% 83 HA   
 ASSIs {691} 58 HG2% 82 HN 3.000 1.100 1.100 peak 691 volume 0.33165E-02 ppm1 0.981 ppm2 8.293  
   ORs {691} 74 HG 78 HN  
   ORs {691} 77 HD1% 78 HN  
   OR  {692} 78 HN 78 HG2%   
 ASSI  {204} 60 HG2% 65 HN 3.300 1.400 1.400 peak 204 volume 0.18526E-02 ppm1 1.031 ppm2 8.221  
   OR  {204} 60 HG2% 60 HN  
   OR  {2045} 8 HB1 11 HN  
   OR  {2045} 8 HB2 11 HN  
   OR  {2045} 9 HB2 11 HN   
 ASSI  {117} 60 HD1% 78 HB 4.300 2.300 1.700 peak 117 volume 0.87320E-03 ppm1 0.851 ppm2 1.935  
   OR  {117} 60 HD1% 77 HB2   
 ASSI  {190} 60 HG2% 78 HA 4.000 2.000 2.000 peak 190 volume 0.72001E-03 ppm1 1.031 ppm2 3.774  
   OR  {190} 60 HG2% 64 HA  
   ORs {190} 59 HB2 60 HG2%   
 ASSI  {95} 60 HD1% 81 HB% 3.100 1.200 1.200 peak 95 volume 0.24954E-02 ppm1 0.851 ppm2 1.645  
   ORs {95} 50 HB% 60 HD1%   
 ASSIs {2913} 68 HG1% 73 HA 4.600 2.600 1.400 peak 2913 volume 0.60112E-03 ppm1 1.152 ppm2 4.247   
 ASSIs {715} 68 HG1% 74 HN 3.400 1.500 1.500 peak 715 volume 0.13966E-02 ppm1 1.156 ppm2 7.698  
   ORs {715} 10 HD2% 74 HN   
 ASSI  {810} 68 HG1% 75 HN 5.100 3.300 0.900 peak 810 volume 0.26534E-03 ppm1 1.158 ppm2 8.720  
   OR  {810} 68 HG1% 76 HN   
 ASSI  {724} 68 HG1% 77 HB1 3.300 1.400 1.400 peak 724 volume 0.11715E-02 ppm1 1.160 ppm2 2.063  
   ORs {724} 67 HB1 68 HG1%   
 ASSIs {2008} 5 HB1 9 HB2 3.500 1.500 1.500 peak 2008 volume 0.14633E-02 ppm1 1.599 ppm2 2.721  
   ORs {2008} 5 HG 9 HB2   
 ASSIs {2018} 5 HB1 9 HB1 3.200 1.300 1.300 peak 2018 volume 0.17079E-02 ppm1 1.601 ppm2 3.052  
   ORs {2018} 5 HG 9 HB1   
 ASSI  {956} 5 HD1% 9 HB1 4.200 2.200 1.800 peak 956 volume 0.55237E-03 ppm1 0.645 ppm2 3.042   
 ASSIs {1979} 6 HB 8 HB1 4.600 2.700 1.400 peak 1979 volume 0.40170E-03 ppm1 4.860 ppm2 2.728  
   ORs {1979} 6 HB 8 HB2  
   ORs {1979} 6 HB 9 HB2   
 ASSIs {2009} 6 HG2% 9 HB2 4.000 2.000 2.000 peak 2009 volume 0.91441E-03 ppm1 1.415 ppm2 2.727  
   ORs {2009} 6 HG2% 8 HB1  
   ORs {2009} 6 HG2% 8 HB2  
   ORs {2009} 7 HG2% 8 HB1  
   ORs {2009} 7 HG2% 8 HB2   
 ASSI  {625} 6 HG2% 9 HB2 4.200 2.200 1.800 peak 625 volume 0.68409E-03 ppm1 1.431 ppm2 2.726  
   OR  {625} 6 HG2% 8 HB1  
   OR  {625} 6 HG2% 8 HB2   
 ASSIs {709} 6 HG2% 9 HN 4.600 2.600 1.400 peak 709 volume 0.57110E-03 ppm1 1.421 ppm2 7.905  
   ORs {709} 7 HG2% 9 HN   
 ASSIs {2139} 7 HA 10 HB1 3.000 1.200 1.200 peak 2139 volume 0.12183E-02 ppm1 3.881 ppm2 2.355   
 ASSI  {3282} 7 HA 10 HB2 3.400 1.400 1.400 peak 3282 volume 0.17742E-02 ppm1 3.881 ppm2 1.578  
   OR  {3282} 7 HA 75 HB2   
 ASSI  {798} 7 HG2% 10 HN 5.000 3.200 1.000 peak 798 volume 0.26501E-03 ppm1 1.400 ppm2 8.097  
   OR  {798} 7 HG2% 32 HN   
 ASSIs {832} 7 HA 10 HN 3.400 1.500 1.500 peak 832 volume 0.12483E-02 ppm1 3.882 ppm2 8.099  
   OR  {833} 31 HD1% 33 HA  
   OR  {833} 31 HD1% 74 HA   
 ASSI  {2006} 8 HB2 11 HB1 3.900 1.900 1.900 peak 2006 volume 0.10072E-02 ppm1 2.725 ppm2 2.047  
   OR  {2006} 8 HB1 11 HB1  
   OR  {2006} 8 HB1 11 HB2  
   OR  {2006} 8 HB1 12 HB1  
   OR  {2006} 8 HB1 12 HB2  
   OR  {2006} 8 HB2 11 HB2  
   OR  {2006} 9 HB2 11 HB1  
   OR  {2006} 9 HB2 11 HB2  
   OR  {2006} 9 HB2 12 HB1  
   OR  {2006} 9 HB2 12 HB2  
   OR  {2008} 8 HB2 10 HB2  
   OR  {2008} 9 HB2 10 HB2   
 ASSIs {2313} 8 HA 11 HD1 4.300 2.300 1.700 peak 2313 volume 0.37322E-03 ppm1 4.641 ppm2 3.253  
   OR  {232} 49 HB% 50 HA   
 ASSI  {2751} 8 HA 11 HN 3.000 1.200 1.200 peak 2751 volume 0.25259E-02 ppm1 4.642 ppm2 8.852  
   ORs {2751} 7 HN 8 HA   
 ASSIs {346} 8 HB2 12 HN 3.500 1.500 1.500 peak 346 volume 0.27666E-03 ppm1 2.729 ppm2 7.992  
   ORs {346} 8 HB1 12 HN  
   ORs {346} 9 HB2 12 HN   
 ASSI  {2047} 9 HB1 11 HN 5.600 4.000 0.400 peak 2047 volume 0.14095E-03 ppm1 3.050 ppm2 8.857  
   ORs {2047} 7 HN 9 HB1   
 ASSIs {616} 9 HB2 11 HN 3.800 1.800 1.800 peak 616 volume 0.37459E-03 ppm1 2.726 ppm2 8.842  
   ORs {616} 8 HB1 11 HN  
   ORs {616} 8 HB2 11 HN  
   OR  {618} 70 HG2% 71 HG1   
 ASSI  {703} 9 HN 11 HN 4.000 2.000 2.000 peak 703 volume 0.65266E-03 ppm1 7.906 ppm2 8.846  
   ORs {703} 7 HN 9 HN   
 ASSIs {1458} 9 HB2 12 HB2 3.400 1.500 1.500 peak 1458 volume 0.53086E-03 ppm1 2.727 ppm2 2.034  
   ORs {1458} 8 HB1 12 HB1  
   ORs {1458} 8 HB1 12 HB2  
   ORs {1458} 8 HB2 12 HB2  
   ORs {1458} 9 HB2 12 HB1   
 ASSI  {2777} 9 HA 12 HB2 2.800 1.000 1.000 peak 2777 volume 0.31204E-02 ppm1 4.572 ppm2 2.039  
   OR  {2777} 9 HA 11 HB1  
   OR  {2777} 9 HA 12 HB1   
 ASSIs {360} 10 HD1% 12 HN 5.000 3.100 1.000 peak 360 volume 0.32676E-03 ppm1 1.051 ppm2 7.988  
   ORs {360} 15 HN 18 HB%  
   OR  {3603} 56 HD% 82 HB1  
   OR  {3603} 56 HD% 82 HB1   
 ASSI  {710} 10 HD1% 13 HB% 2.200 0.600 0.600 peak 710 volume 0.11645E-01 ppm1 1.056 ppm2 1.680  
   ORs {710} 13 HB% 52 HD2%   
 ASSI  {793} 10 HD1% 13 HN 3.900 1.900 1.900 peak 793 volume 0.80088E-03 ppm1 1.054 ppm2 7.714  
   OR  {793} 10 HD1% 74 HN   
 ASSI  {2804} 10 HA 14 HN 4.100 2.100 1.900 peak 2804 volume 0.46609E-03 ppm1 4.221 ppm2 8.434  
   OR  {2804} 10 HA 52 HN  
   OR  {2809} 31 HA 32 HB1  
   OR  {2809} 31 HA 72 HD2   
 ASSIs {582} 10 HD1% 14 HN 4.100 2.100 1.900 peak 582 volume 0.10465E-02 ppm1 1.047 ppm2 8.423   
 ASSIs {684} 10 HD1% 14 HD1% 3.100 1.200 1.200 peak 684 volume 0.23047E-02 ppm1 1.040 ppm2 0.772  
   OR  {686} 82 HN 83 HB%   
 ASSI  {629} 11 HN 13 HB% 4.900 3.000 1.100 peak 629 volume 0.25520E-03 ppm1 8.843 ppm2 1.689  
   OR  {629} 11 HN 12 HG2   
 ASSI  {3023} 11 HA 14 HA 5.400 3.700 0.600 peak 3023 volume 0.17613E-03 ppm1 3.523 ppm2 4.416  
   OR  {3023} 11 HA 13 HA   
 ASSI  {627} 11 HN 14 HD2% 4.700 2.700 1.300 peak 627 volume 0.34202E-03 ppm1 8.839 ppm2 0.907  
   OR  {627} 11 HN 75 HD2%   
 ASSIs {654} 11 HE 15 HG2% 4.600 2.700 1.400 peak 654 volume 0.21689E-03 ppm1 7.318 ppm2 1.129   
 ASSI  {2953} 12 HA 15 HG2% 2.700 0.900 0.900 peak 2953 volume 0.32010E-02 ppm1 4.041 ppm2 1.130  
   ORs {2953} 11 HG2 12 HA   
 ASSIs {388} 12 HA 15 HG1% 3.700 1.700 1.700 peak 388 volume 0.16199E-02 ppm1 4.056 ppm2 1.052   
 ASSIs {1733} 12 HA 16 HG1 5.100 3.200 0.900 peak 1733 volume 0.16865E-03 ppm1 4.039 ppm2 2.637   
 ASSIs {1744} 12 HB2 16 HG2 4.000 2.000 2.000 peak 1744 volume 0.38647E-03 ppm1 2.065 ppm2 2.407  
   ORs {1744} 12 HB1 16 HG2   
 ASSIs {1750} 12 HB2 16 HG1 4.500 2.600 1.500 peak 1750 volume 0.15642E-03 ppm1 2.052 ppm2 2.626  
   ORs {1750} 12 HB1 16 HG1   
 ASSIs {1752} 12 HG2 16 HG1 3.900 1.900 1.900 peak 1752 volume 0.33486E-03 ppm1 1.702 ppm2 2.637  
   ORs {1752} 13 HB% 16 HG1  
   OR  {1754} 73 HG1 74 HD1%  
   OR  {1754} 73 HG1 74 HD2%   
 ASSIs {662} 12 HA 16 HN 3.800 1.800 1.800 peak 662 volume 0.73641E-03 ppm1 4.041 ppm2 8.240  
   OR  {664} 82 HN 83 HA   
 ASSIs {1736} 13 HA 16 HG2 4.400 2.400 1.600 peak 1736 volume 0.35938E-03 ppm1 4.413 ppm2 2.408  
   ORs {1736} 14 HA 16 HG2  
   OR  {174} 80 HN 83 HA   
 ASSI  {2623} 13 HA 16 HB1 3.700 1.700 1.700 peak 2623 volume 0.20117E-02 ppm1 4.412 ppm2 2.277  
   OR  {2623} 13 HA 15 HB   
 ASSIs {660} 13 HA 16 HN 3.100 1.200 1.200 peak 660 volume 0.17001E-02 ppm1 4.410 ppm2 8.241  
   ORs {660} 14 HA 16 HN  
   OR  {662} 16 HN 19 HA2   
 ASSIs {254} 14 HA 17 HN 3.300 1.300 1.300 peak 254 volume 0.11584E-02 ppm1 4.408 ppm2 7.810  
   ORs {254} 13 HA 17 HN   
 ASSI  {2758} 14 HA 17 HN 3.500 1.500 1.500 peak 2758 volume 0.75062E-03 ppm1 4.416 ppm2 7.816  
   OR  {2758} 14 HA 18 HN   
 ASSIs {3175} 14 HA 17 HB1 3.600 1.600 1.600 peak 3175 volume 0.81461E-03 ppm1 4.418 ppm2 4.150  
   OR  {3176} 17 HB2 48 HB   
 ASSIs {3176} 14 HA 17 HB2 3.600 1.600 1.600 peak 3176 volume 0.95432E-03 ppm1 4.422 ppm2 4.067   
 ASSIs {3212} 14 HN 17 HB1 5.200 3.400 0.800 peak 3212 volume 0.16788E-03 ppm1 8.422 ppm2 4.154  
   OR  {3214} 17 HB1 19 HN   
 ASSI  {704} 14 HD1% 18 HB% 3.900 1.900 1.900 peak 704 volume 0.94663E-03 ppm1 0.772 ppm2 1.547  
   OR  {704} 14 HD1% 38 HG12  
   OR  {704} 14 HD1% 44 HB%  
   OR  {704} 14 HD1% 45 HB2  
   OR  {704} 14 HD1% 49 HB%   
 ASSIs {258} 15 HA 17 HN 4.100 2.100 1.900 peak 258 volume 0.51752E-03 ppm1 3.942 ppm2 7.810   
 ASSIs {266} 15 HG1% 17 HN 3.800 1.800 1.800 peak 266 volume 0.25537E-03 ppm1 1.046 ppm2 7.810  
   ORs {266} 10 HD1% 17 HN  
   OR  {2660} 69 HA 72 HA   
 ASSI  {755} 15 HN 17 HN 3.600 1.600 1.600 peak 755 volume 0.97879E-03 ppm1 8.503 ppm2 7.800  
   OR  {755} 15 HN 18 HN   
 ASSI  {3265} 15 HA 18 HN 3.300 1.400 1.400 peak 3265 volume 0.12285E-02 ppm1 3.930 ppm2 7.807  
   OR  {3265} 15 HA 17 HN   
 ASSI  {652} 15 HG2% 18 HN 5.400 3.700 0.600 peak 652 volume 0.24156E-03 ppm1 1.125 ppm2 7.822  
   OR  {652} 15 HG2% 17 HN  
   OR  {654} 15 HG2% 30 HD%   
 ASSI  {2970} 17 HA 19 HN 4.400 2.400 1.600 peak 2970 volume 0.49329E-03 ppm1 4.582 ppm2 8.240  
   ORs {2970} 16 HN 17 HA  
   OR  {2971} 27 HA 30 HD%   
 ASSI  {360} 18 HB% 20 HN 3.400 1.500 1.500 peak 360 volume 0.96020E-03 ppm1 1.554 ppm2 8.502  
   OR  {360} 12 HN 15 HG1%  
   OR  {360} 18 HB% 22 HN   
 ASSIs {743} 18 HB% 20 HN 3.600 1.600 1.600 peak 743 volume 0.75052E-03 ppm1 1.554 ppm2 8.504   
 ASSIs {272} 19 HA2 21 HN 3.700 1.700 1.700 peak 272 volume 0.60949E-03 ppm1 4.072 ppm2 8.251  
   ORs {272} 19 HA1 21 HN   
 ASSIs {376} 22 HA 24 HN 4.200 2.200 1.800 peak 376 volume 0.31930E-03 ppm1 4.724 ppm2 8.153  
   OR  {380} 24 HG2% 26 HN   
 ASSIs {333} 25 HB1 27 HN 3.700 1.700 1.700 peak 333 volume 0.24594E-03 ppm1 2.896 ppm2 8.209   
 ASSIs {1908} 26 HB2 30 HB1 4.400 2.400 1.600 peak 1908 volume 0.33783E-03 ppm1 1.208 ppm2 3.303   
 ASSI  {1960} 26 HB1 30 HD% 4.400 2.400 1.600 peak 1960 volume 0.31993E-03 ppm1 1.453 ppm2 7.320  
   ORs {1960} 11 HE 26 HB1   
 ASSI  {1961} 26 HB2 30 HD% 4.300 2.300 1.700 peak 1961 volume 0.56108E-03 ppm1 1.228 ppm2 7.322  
   ORs {1961} 11 HE 26 HB2   
 ASSIs {3490} 26 HD2% 30 HE% 4.100 2.100 1.900 peak 3490 volume 0.48388E-03 ppm1 0.806 ppm2 7.218  
   ORs {3490} 26 HD2% 30 HE%   
 ASSIs {3584} 26 HA 30 HD% 3.700 1.800 1.800 peak 3584 volume 0.42883E-03 ppm1 4.384 ppm2 7.317  
   ORs {3584} 26 HA 30 HD%   
 ASSIs {3592} 26 HD2% 30 HD% 4.200 2.200 1.800 peak 3592 volume 0.50901E-03 ppm1 0.804 ppm2 7.322  
   ORs {3592} 26 HD2% 30 HD%  
   OR  {3599} 56 HD% 57 HA1  
   OR  {3599} 56 HD% 57 HA2  
   OR  {3599} 56 HD% 57 HA2   
 ASSI  {785} 26 HD1% 30 HE% 3.600 1.700 1.700 peak 785 volume 0.76215E-03 ppm1 0.711 ppm2 7.219  
   OR  {785} 26 HD1% 33 HN   
 ASSI  {2386} 28 HA2 30 HD% 5.600 4.000 0.400 peak 2386 volume 0.51791E-04 ppm1 3.902 ppm2 7.315  
   ORs {2386} 11 HE 28 HA2  
   OR  {2391} 23 HA2 38 HG12   
 ASSI  {1909} 30 HB1 33 HD2% 3.500 1.600 1.600 peak 1909 volume 0.24543E-02 ppm1 3.302 ppm2 1.082  
   OR  {1909} 30 HB1 38 HG2%   
 ASSI  {1910} 30 HB2 33 HD2% 3.100 1.200 1.200 peak 1910 volume 0.21027E-02 ppm1 3.016 ppm2 1.085  
   OR  {1910} 30 HB2 38 HG2%   
 ASSI  {1921} 30 HB1 33 HB2 5.300 3.500 0.700 peak 1921 volume 0.22643E-03 ppm1 3.301 ppm2 1.426  
   ORs {1921} 7 HG2% 30 HB1   
 ASSI  {1922} 30 HB2 33 HB2 3.000 1.100 1.100 peak 1922 volume 0.61319E-03 ppm1 3.010 ppm2 1.387  
   ORs {1922} 7 HG2% 30 HB2   
 ASSI  {1923} 30 HB2 33 HG 4.000 2.000 2.000 peak 1923 volume 0.91052E-03 ppm1 3.010 ppm2 1.818  
   ORs {1923} 38 HG11 40 HB1   
 ASSI  {1940} 30 HB2 33 HN 3.900 1.900 1.900 peak 1940 volume 0.76142E-03 ppm1 3.016 ppm2 7.213  
   OR  {1940} 30 HB2 30 HE%   
 ASSI  {3588} 30 HD% 33 HB2 3.300 1.300 1.300 peak 3588 volume 0.97359E-03 ppm1 7.322 ppm2 1.398  
   OR  {3588} 30 HD% 33 HB2  
   ORs {3588} 7 HG2% 30 HD%  
   ORs {3588} 7 HG2% 30 HD%  
   OR  {359} 12 HN 15 HG2%   
 ASSIs {847} 30 HB2 33 HN 3.900 1.900 1.900 peak 847 volume 0.58935E-03 ppm1 3.037 ppm2 7.225  
   ORs {847} 32 HB1 33 HN   
 ASSI  {918} 30 HN 33 HD2% 5.600 3.900 0.400 peak 918 volume 0.26868E-03 ppm1 8.064 ppm2 1.064  
   OR  {918} 30 HN 38 HG2%   
 ASSIs {983} 30 HB2 33 HD2% 3.400 1.400 1.400 peak 983 volume 0.10242E-02 ppm1 3.016 ppm2 1.084   
 ASSIs {984} 30 HB1 33 HD2% 2.800 1.000 1.000 peak 984 volume 0.13542E-02 ppm1 3.300 ppm2 1.084  
   ORs {984} 31 HA 33 HD2%  
   OR  {987} 49 HN 52 HN   
 ASSI  {2800} 31 HA 33 HN 3.700 1.700 1.700 peak 2800 volume 0.11100E-02 ppm1 3.307 ppm2 7.222  
   ORs {2800} 30 HE% 31 HA   
 ASSIs {846} 31 HA 33 HN 4.000 2.000 2.000 peak 846 volume 0.65548E-03 ppm1 3.307 ppm2 7.225  
   ORs {846} 30 HB1 33 HN   
 ASSI  {824} 31 HD1% 35 HZ 4.600 2.600 1.400 peak 824 volume 0.46534E-03 ppm1 0.459 ppm2 6.921  
   OR  {824} 31 HD1% 72 HH11  
   OR  {824} 31 HD1% 72 HH12  
   OR  {824} 31 HD1% 72 HH21  
   OR  {824} 31 HD1% 72 HH22   
 ASSI  {1391} 34 HB2 37 HB1 4.000 2.000 2.000 peak 1391 volume 0.42090E-03 ppm1 1.879 ppm2 3.099  
   OR  {1391} 34 HB2 35 HB2   
 ASSIs {2022} 34 HB1 37 HB2 5.000 3.100 1.000 peak 2022 volume 0.30271E-03 ppm1 2.163 ppm2 3.001  
   ORs {2022} 36 HB2 37 HB2   
 ASSI  {390} 34 HN 37 HB2 4.000 2.000 2.000 peak 390 volume 0.50049E-03 ppm1 8.487 ppm2 2.998  
   ORs {390} 30 HB2 34 HN   
 ASSIs {520} 34 HN 38 HG2% 3.300 1.400 1.400 peak 520 volume 0.36822E-03 ppm1 8.487 ppm2 1.082  
   ORs {520} 26 HN 38 HG2%   
 ASSIs {1209} 35 HA 38 HG12 2.300 0.600 0.600 peak 1209 volume 0.24167E-02 ppm1 4.395 ppm2 1.573  
   ORs {1209} 4 HA 5 HG   
 ASSI  {1820} 35 HB1 38 HG12 4.100 2.100 1.900 peak 1820 volume 0.57723E-03 ppm1 3.622 ppm2 1.557  
   OR  {1820} 35 HB1 45 HB2   
 ASSI  {1822} 35 HB2 38 HG12 5.700 4.100 0.300 peak 1822 volume 0.14120E-03 ppm1 3.105 ppm2 1.554  
   OR  {1822} 35 HB2 45 HB2  
   OR  {1827} 35 HB1 68 HN   
 ASSI  {3093} 35 HA 38 HN 3.900 1.900 1.900 peak 3093 volume 0.11853E-02 ppm1 4.397 ppm2 7.735  
   OR  {3093} 35 HA 39 HN   
 ASSI  {3507} 35 HD% 38 HD1% 3.000 1.100 1.100 peak 3507 volume 0.13295E-02 ppm1 7.132 ppm2 0.897  
   OR  {3507} 35 HD% 38 HD1%  
   ORs {3507} 14 HD2% 35 HD%   
 ASSI  {3519} 35 HD% 38 HG12 4.600 2.600 1.400 peak 3519 volume 0.40400E-03 ppm1 7.132 ppm2 1.563  
   OR  {3519} 35 HD% 38 HG12  
   OR  {3519} 35 HD% 45 HB2  
   OR  {3519} 35 HD% 45 HB2  
   OR  {352} 7 HN 7 HG2%  
   OR  {352} 68 HG2% 70 HN   
 ASSI  {3522} 35 HE% 38 HG11 6.000 4.600 0.000 peak 3522 volume 0.12345E-03 ppm1 6.931 ppm2 1.826  
   OR  {3522} 35 HE% 38 HG11  
   OR  {3522} 35 HE% 77 HG   
 ASSIs {65} 35 HB2 38 HD1% 5.400 3.600 0.600 peak 65 volume 0.38405E-03 ppm1 3.099 ppm2 0.893  
   ORs {65} 37 HB1 38 HD1%   
 ASSI  {456} 36 HN 38 HN 4.100 2.100 1.900 peak 456 volume 0.54073E-03 ppm1 9.540 ppm2 7.728  
   OR  {456} 36 HN 39 HN  
   OR  {460} 36 HN 37 HB1   
 ASSI  {2931} 36 HA 39 HN 3.300 1.400 1.400 peak 2931 volume 0.12545E-02 ppm1 4.355 ppm2 7.737  
   OR  {2931} 36 HA 38 HN   
 ASSI  {1687} 36 HG1 40 HN 4.600 2.700 1.400 peak 1687 volume 0.45924E-03 ppm1 2.493 ppm2 8.061  
   OR  {1687} 36 HG1 41 HN  
   OR  {1687} 36 HG2 40 HN  
   OR  {1687} 36 HG2 41 HN   
 ASSI  {1225} 38 HG12 40 HN 4.300 2.300 1.700 peak 1225 volume 0.38448E-03 ppm1 1.567 ppm2 8.078  
   OR  {1225} 5 HG 10 HN   
 ASSI  {279} 38 HG2% 40 HN 6.000 4.500 0.000 peak 279 volume 0.18674E-03 ppm1 1.085 ppm2 8.074  
   ORs {279} 30 HN 38 HG2%  
   ORs {279} 32 HN 38 HG2%   
 ASSI  {34} 38 HD1% 40 HN 4.900 3.100 1.100 peak 34 volume 0.44188E-03 ppm1 0.892 ppm2 8.081  
   ORs {34} 30 HN 38 HD1%  
   OR  {3400} 56 HE% 82 HB1   
 ASSIs {3410} 38 HB 40 HE% 3.600 1.600 1.600 peak 3410 volume 0.37154E-03 ppm1 2.482 ppm2 6.734   
 ASSIs {3569} 38 HG2% 40 HD% 3.400 1.400 1.400 peak 3569 volume 0.64823E-03 ppm1 1.083 ppm2 6.976  
   ORs {3569} 10 HD1% 40 HD%  
   ORs {3569} 10 HD1% 40 HD%  
   ORs {3569} 38 HG2% 40 HD%   
 ASSI  {66} 38 HD1% 40 HB1 3.900 1.900 1.900 peak 66 volume 0.11706E-02 ppm1 0.893 ppm2 3.014  
   ORs {66} 30 HB2 38 HD1%   
 ASSIs {860} 38 HB 40 HN 4.100 2.100 1.900 peak 860 volume 0.49407E-03 ppm1 2.479 ppm2 8.084  
   ORs {860} 36 HG1 40 HN   
 ASSI  {2842} 40 HA 44 HB% 3.100 1.200 1.200 peak 2842 volume 0.35668E-02 ppm1 4.586 ppm2 1.531  
   OR  {2842} 40 HA 45 HB2   
 ASSI  {2068} 41 HB1 44 HB% 5.200 3.300 0.800 peak 2068 volume 0.38437E-03 ppm1 3.207 ppm2 1.528  
   OR  {2068} 41 HB1 45 HB2   
 ASSIs {1605} 43 HD1% 46 HG1 4.400 2.400 1.600 peak 1605 volume 0.16144E-03 ppm1 0.995 ppm2 2.877  
   OR  {1608} 71 HB1 75 HD2%   
 ASSIs {1706} 43 HD2% 47 HG1 4.100 2.100 1.900 peak 1706 volume 0.30293E-03 ppm1 1.060 ppm2 2.588  
   ORs {1706} 10 HD1% 47 HG1  
   OR  {1708} 36 HG1 38 HG2%  
   OR  {1708} 36 HG2 38 HG2%  
   OR  {1708} 47 HG2 52 HD2%  
   OR  {1708} 47 HG2 74 HD1%   
 ASSIs {1708} 43 HD2% 47 HG2 4.500 2.600 1.500 peak 1708 volume 0.31542E-03 ppm1 1.069 ppm2 2.472  
   ORs {1708} 33 HD2% 36 HG1  
   ORs {1708} 33 HD2% 36 HG2   
 ASSI  {2592} 44 HA 46 HN 3.600 1.700 1.700 peak 2592 volume 0.87285E-03 ppm1 4.337 ppm2 8.331  
   OR  {2592} 44 HA 48 HN   
 ASSI  {270} 44 HB% 46 HN 4.300 2.300 1.700 peak 270 volume 0.57052E-03 ppm1 1.530 ppm2 8.333  
   OR  {270} 44 HB% 48 HN   
 ASSIs {1375} 44 HB% 47 HB1 3.900 1.900 1.900 peak 1375 volume 0.53056E-03 ppm1 1.530 ppm2 2.358  
   ORs {1375} 49 HB% 53 HB2  
   OR  {1376} 47 HB2 49 HB%   
 ASSIs {1376} 44 HB% 47 HB2 3.600 1.700 1.700 peak 1376 volume 0.32956E-03 ppm1 1.538 ppm2 2.233   
 ASSI  {2591} 44 HA 47 HN 2.800 1.000 1.000 peak 2591 volume 0.27959E-02 ppm1 4.334 ppm2 8.423  
   OR  {2591} 44 HA 45 HN   
 ASSIs {891} 44 HB% 47 HN 3.900 1.900 1.900 peak 891 volume 0.94419E-03 ppm1 1.535 ppm2 8.416  
   ORs {891} 30 HD% 31 HD2%  
   ORs {891} 30 HZ 31 HD2%   
 ASSI  {696} 45 HD1% 48 HG2% 3.600 1.600 1.600 peak 696 volume 0.11167E-02 ppm1 0.212 ppm2 1.140  
   OR  {696} 45 HD1% 68 HG1%  
   OR  {698} 45 HD1% 52 HD2%  
   OR  {698} 45 HD1% 60 HG2%   
 ASSI  {741} 45 HD1% 48 HB 3.500 1.500 1.500 peak 741 volume 0.72283E-03 ppm1 0.212 ppm2 4.424  
   ORs {741} 14 HA 45 HD1%  
   ORs {741} 35 HA 45 HD1%  
   OR  {743} 15 HN 18 HB%   
 ASSI  {832} 45 HD2% 48 HB 4.400 2.400 1.600 peak 832 volume 0.69641E-03 ppm1 0.393 ppm2 4.439  
   OR  {832} 10 HN 75 HA  
   OR  {832} 45 HD2% 62 HA  
   OR  {832} 45 HD2% 68 HA   
 ASSIs {1008} 45 HG 49 HN 4.000 2.000 2.000 peak 1008 volume 0.33755E-03 ppm1 1.388 ppm2 8.757   
 ASSIs {226} 45 HG 49 HB% 3.100 1.200 1.200 peak 226 volume 0.14381E-02 ppm1 1.361 ppm2 1.538  
   ORs {226} 5 HB2 49 HB%   
 ASSIs {1024} 46 HA 49 HN 3.100 1.200 1.200 peak 1024 volume 0.19013E-02 ppm1 4.263 ppm2 8.756  
   ORs {1024} 47 HA 49 HN   
 ASSI  {1601} 46 HG2 49 HB% 4.800 2.800 1.200 peak 1601 volume 0.20080E-03 ppm1 2.769 ppm2 1.543  
   ORs {1601} 44 HB% 46 HG2   
 ASSIs {232} 46 HA 49 HB% 2.500 0.800 0.800 peak 232 volume 0.51674E-02 ppm1 4.263 ppm2 1.540   
 ASSI  {2886} 46 HA 49 HN 3.200 1.300 1.300 peak 2886 volume 0.11793E-02 ppm1 4.259 ppm2 8.752  
   OR  {2886} 73 HA 75 HN  
   OR  {2888} 36 HA 37 HB1   
 ASSI  {2910} 46 HA 49 HB% 2.500 0.800 0.800 peak 2910 volume 0.53149E-02 ppm1 4.260 ppm2 1.539  
   ORs {2910} 72 HG2 73 HA   
 ASSIs {987} 47 HN 49 HN 3.900 1.900 1.900 peak 987 volume 0.92633E-03 ppm1 8.429 ppm2 8.757   
 ASSI  {2951} 47 HA 50 HB% 2.400 0.700 0.700 peak 2951 volume 0.66361E-02 ppm1 4.257 ppm2 1.671  
   ORs {2951} 50 HB% 51 HA   
 ASSI  {892} 47 HN 50 HB% 4.400 2.400 1.600 peak 892 volume 0.48547E-03 ppm1 8.416 ppm2 1.667  
   OR  {892} 75 HD1% 78 HN  
   OR  {892} 75 HD1% 82 HN   
 ASSI  {3306} 48 HA 51 HB1 3.500 1.600 1.600 peak 3306 volume 0.16188E-02 ppm1 3.962 ppm2 2.213  
   OR  {3306} 48 HA 52 HB1   
 ASSI  {3307} 48 HA 51 HB2 3.100 1.200 1.200 peak 3307 volume 0.15385E-02 ppm1 3.961 ppm2 2.040  
   OR  {3307} 48 HA 52 HG  
   OR  {3310} 48 HA 50 HB%   
 ASSIs {659} 48 HA 51 HN 3.300 1.400 1.400 peak 659 volume 0.11322E-02 ppm1 3.965 ppm2 8.149  
   ORs {659} 49 HA 51 HN   
 ASSIs {1013} 48 HG2% 52 HG 3.200 1.300 1.300 peak 1013 volume 0.13532E-02 ppm1 1.141 ppm2 2.065  
   ORs {1013} 10 HD2% 52 HG  
   ORs {1013} 14 HD1% 49 HN   
 ASSI  {3322} 48 HA 52 HN 4.200 2.200 1.800 peak 3322 volume 0.57694E-03 ppm1 3.961 ppm2 8.433  
   ORs {3322} 14 HN 48 HA  
   ORs {3322} 47 HN 48 HA  
   OR  {333} 27 HN 29 HB1   
 ASSI  {342} 48 HG2% 52 HG 2.800 1.000 1.000 peak 342 volume 0.27347E-02 ppm1 1.136 ppm2 2.051  
   OR  {342} 48 HG2% 51 HB2  
   OR  {3422} 56 HE% 57 HA1  
   OR  {3422} 56 HE% 57 HA1  
   OR  {3422} 56 HE% 57 HA2  
   OR  {3422} 56 HE% 57 HA2   
 ASSI  {346} 48 HG2% 52 HD1% 2.500 0.800 0.800 peak 346 volume 0.61582E-02 ppm1 1.136 ppm2 0.876  
   OR  {346} 48 HG2% 60 HD1%   
 ASSI  {559} 48 HG2% 52 HB1 4.400 2.400 1.600 peak 559 volume 0.58687E-03 ppm1 1.136 ppm2 2.206  
   OR  {559} 48 HG2% 51 HB1  
   ORs {559} 30 HB1 31 HN   
 ASSIs {729} 48 HG2% 52 HN 4.100 2.100 1.900 peak 729 volume 0.52550E-03 ppm1 1.143 ppm2 8.436   
 ASSI  {245} 49 HB% 52 HN 4.500 2.500 1.500 peak 245 volume 0.44475E-03 ppm1 1.539 ppm2 8.436  
   OR  {245} 56 HN 57 HA1  
   OR  {245} 56 HN 57 HA2   
 ASSI  {2684} 49 HA 52 HD2% 3.600 1.600 1.600 peak 2684 volume 0.15340E-02 ppm1 3.965 ppm2 1.075  
   OR  {2684} 49 HA 74 HD1%  
   OR  {2684} 49 HA 74 HD2%  
   ORs {2684} 10 HD1% 49 HA   
 ASSI  {2685} 49 HA 52 HD2% 4.200 2.200 1.800 peak 2685 volume 0.10574E-02 ppm1 3.964 ppm2 1.035  
   OR  {2685} 49 HA 60 HG2%  
   ORs {2685} 10 HD1% 49 HA   
 ASSI  {230} 49 HB% 53 HG1 3.800 1.800 1.800 peak 230 volume 0.44683E-03 ppm1 1.543 ppm2 2.753  
   ORs {230} 46 HG2 49 HB%  
   OR  {2303} 34 HD1 35 HA   
 ASSIs {731} 50 HB% 52 HN 4.100 2.100 1.900 peak 731 volume 0.82458E-03 ppm1 1.670 ppm2 8.438  
   ORs {731} 13 HB% 52 HN   
 ASSIs {1351} 50 HN 53 HB2 5.000 3.200 1.000 peak 1351 volume 0.24334E-03 ppm1 8.214 ppm2 2.370   
 ASSIs {1655} 50 HA 53 HG1 3.400 1.500 1.500 peak 1655 volume 0.75947E-03 ppm1 4.286 ppm2 2.746  
   ORs {1655} 51 HA 53 HG1   
 ASSIs {1659} 50 HA 53 HG2 4.500 2.600 1.500 peak 1659 volume 0.58380E-03 ppm1 4.285 ppm2 2.299  
   ORs {1659} 51 HA 53 HG2   
 ASSIs {1671} 50 HN 53 HG1 4.500 2.500 1.500 peak 1671 volume 0.34636E-03 ppm1 8.217 ppm2 2.752   
 ASSIs {233} 50 HB% 54 HN 3.200 1.300 1.300 peak 233 volume 0.53504E-03 ppm1 1.658 ppm2 8.027  
   OR  {2376} 69 HB1 73 HB1   
 ASSI  {2944} 51 HA 53 HN 4.500 2.500 1.500 peak 2944 volume 0.29230E-03 ppm1 4.252 ppm2 9.002  
   ORs {2944} 72 HN 73 HA   
 ASSIs {222} 51 HA 54 HN 3.100 1.200 1.200 peak 222 volume 0.16185E-02 ppm1 4.279 ppm2 8.030  
   ORs {222} 50 HA 54 HN   
 ASSI  {1042} 52 HD1% 55 HD1 4.600 2.600 1.400 peak 1042 volume 0.43556E-03 ppm1 0.889 ppm2 3.092  
   OR  {1042} 75 HD2% 79 HB1  
   ORs {1042} 40 HB2 41 HN   
 ASSI  {1039} 52 HD1% 56 HB2 4.500 2.500 1.500 peak 1039 volume 0.49562E-03 ppm1 0.892 ppm2 2.778  
   OR  {1039} 52 HD1% 53 HG1  
   OR  {1039} 75 HD2% 76 HB1  
   OR  {1039} 75 HD2% 79 HB2   
 ASSI  {2866} 52 HA 56 HN 3.800 1.800 1.800 peak 2866 volume 0.54988E-03 ppm1 4.329 ppm2 8.159  
   ORs {2866} 51 HN 52 HA   
 ASSIs {3385} 52 HD1% 56 HE% 2.900 1.100 1.100 peak 3385 volume 0.80969E-03 ppm1 0.873 ppm2 6.823  
   ORs {3385} 4 HD1% 56 HE%  
   ORs {3385} 4 HD1% 56 HE%  
   ORs {3385} 52 HD1% 56 HE%   
 ASSIs {3400} 52 HG 56 HE% 3.500 1.500 1.500 peak 3400 volume 0.28720E-03 ppm1 2.055 ppm2 6.826  
   ORs {3400} 51 HB2 56 HE%  
   ORs {3400} 51 HB2 56 HE%  
   ORs {3400} 52 HG 56 HE%  
   OR  {3410} 40 HE% 47 HG2   
 ASSIs {3603} 52 HG 56 HD% 5.500 3.800 0.500 peak 3603 volume 0.13917E-03 ppm1 2.052 ppm2 7.453  
   ORs {3603} 52 HG 56 HD%   
 ASSIs {3609} 52 HD1% 56 HD% 4.000 2.000 2.000 peak 3609 volume 0.79125E-03 ppm1 0.880 ppm2 7.450  
   ORs {3609} 4 HD1% 56 HD%  
   ORs {3609} 4 HD1% 56 HD%  
   ORs {3609} 52 HD1% 56 HD%   
 ASSI  {3010} 53 HA 55 HB2 5.200 3.400 0.800 peak 3010 volume 0.25786E-03 ppm1 4.104 ppm2 1.652  
   OR  {3010} 53 HA 81 HB%  
   ORs {3010} 50 HB% 53 HA   
 ASSIs {3599} 53 HA 56 HD% 4.700 2.800 1.300 peak 3599 volume 0.42888E-03 ppm1 4.110 ppm2 7.450  
   ORs {3599} 53 HA 56 HD%  
   ORs {3599} 55 HA 56 HD%  
   ORs {3599} 55 HA 56 HD%   
 ASSI  {2989} 53 HA 57 HN 3.100 1.200 1.200 peak 2989 volume 0.17727E-02 ppm1 4.105 ppm2 8.021  
   OR  {2989} 53 HA 54 HN   
 ASSIs {1089} 58 HG1% 60 HN 4.800 2.900 1.200 peak 1089 volume 0.33421E-03 ppm1 0.946 ppm2 8.233   
 ASSIs {1004} 60 HG2% 62 HN 5.000 3.200 1.000 peak 1004 volume 0.34880E-03 ppm1 1.038 ppm2 8.855   
 ASSIs {573} 61 HD2 64 HG1% 3.600 1.600 1.600 peak 573 volume 0.86132E-03 ppm1 3.588 ppm2 0.992  
   OR  {580} 46 HN 65 HB%   
 ASSIs {633} 61 HB2 64 HG2% 2.600 0.800 0.800 peak 633 volume 0.27461E-02 ppm1 2.080 ppm2 1.054  
   OR  {634} 53 HN 60 HG2%   
 ASSIs {640} 61 HD1 64 HG2% 3.000 3.000 3.000 peak 640 volume 0.80283E-03 ppm1 4.011 ppm2 1.056  
   ORs {640} 42 HB2 64 HG2%   
 ASSIs {1523} 64 HG1% 67 HB1 4.500 2.500 1.500 peak 1523 volume 0.19170E-03 ppm1 0.975 ppm2 2.091  
   OR  {1524} 67 HB2 77 HD2%   
 ASSIs {1524} 64 HG1% 67 HB2 5.600 3.900 0.400 peak 1524 volume 0.16610E-03 ppm1 0.970 ppm2 1.902   
 ASSI  {3232} 64 HA 67 HB1 3.000 1.100 1.100 peak 3232 volume 0.10960E-02 ppm1 3.791 ppm2 2.084  
   ORs {3232} 61 HB2 64 HA   
 ASSIs {439} 64 HG1% 67 HN 4.600 2.600 1.400 peak 439 volume 0.31171E-03 ppm1 0.992 ppm2 7.481   
 ASSIs {290} 64 HG1% 68 HN 4.100 2.100 1.900 peak 290 volume 0.53509E-03 ppm1 0.983 ppm2 7.246  
   OR  {2906} 45 HA 48 HG2%   
 ASSIs {541} 64 HN 68 HG2% 4.000 2.000 2.000 peak 541 volume 0.22380E-03 ppm1 7.367 ppm2 1.251  
   ORs {541} 30 HZ 68 HG2%  
   ORs {541} 67 HE 68 HG2%  
   OR  {542} 68 HG2% 77 HN   
 ASSIs {678} 64 HG1% 68 HG1% 2.400 0.700 0.700 peak 678 volume 0.64877E-02 ppm1 0.969 ppm2 1.159   
 ASSIs {435} 65 HB% 67 HN 3.700 1.700 1.700 peak 435 volume 0.30953E-03 ppm1 1.386 ppm2 7.484  
   ORs {435} 45 HG 67 HN  
   OR  {439} 67 HN 77 HD1%  
   OR  {439} 67 HN 77 HD2%   
 ASSI  {2611} 65 HA 68 HB 5.000 3.200 1.000 peak 2611 volume 0.26852E-03 ppm1 3.967 ppm2 2.432  
   OR  {2611} 65 HA 74 HB1  
   OR  {262} 81 HB% 84 HB2  
   OR  {262} 83 HB% 84 HB2   
 ASSIs {542} 66 HN 68 HG2% 4.100 2.100 1.900 peak 542 volume 0.20503E-03 ppm1 8.012 ppm2 1.254   
 ASSI  {1622} 68 HB 70 HN 3.200 1.300 1.300 peak 1622 volume 0.14533E-02 ppm1 2.428 ppm2 7.492  
   ORs {1622} 67 HN 68 HB   
 ASSI  {3050} 68 HA 70 HN 3.900 1.900 1.900 peak 3050 volume 0.18039E-02 ppm1 4.438 ppm2 7.492  
   ORs {3050} 67 HN 68 HA   
 ASSIs {486} 70 HG2% 72 HN 4.500 2.500 1.500 peak 486 volume 0.63660E-03 ppm1 1.101 ppm2 9.001  
   OR  {489} 79 HN 82 HD1%  
   OR  {489} 79 HN 82 HD2%   
 ASSIs {408} 70 HG2% 73 HN 4.200 2.200 1.800 peak 408 volume 0.45528E-03 ppm1 1.091 ppm2 7.843  
   OR  {413} 31 HD1% 33 HN   
 ASSI  {3242} 71 HA 74 HG 4.000 2.000 2.000 peak 3242 volume 0.14002E-02 ppm1 4.247 ppm2 1.001  
   ORs {3242} 31 HB2 71 HA  
   OR  {3243} 71 HA 75 HD2%   
 ASSI  {3250} 71 HA 74 HB1 2.500 0.800 0.800 peak 3250 volume 0.32814E-02 ppm1 4.247 ppm2 2.433  
   ORs {3250} 68 HB 71 HA   
 ASSIs {711} 71 HA 74 HN 2.900 1.100 1.100 peak 711 volume 0.23066E-02 ppm1 4.247 ppm2 7.699  
   ORs {711} 5 HG 52 HD2%  
   ORs {711} 73 HA 74 HN   
 ASSI  {3249} 71 HA 75 HB2 4.500 2.600 1.500 peak 3249 volume 0.24168E-03 ppm1 4.244 ppm2 1.571  
   ORs {3249} 10 HB2 71 HA   
 ASSIs {791} 71 HA 75 HN 3.600 1.600 1.600 peak 791 volume 0.74677E-03 ppm1 4.245 ppm2 8.734  
   ORs {791} 73 HA 75 HN   
 ASSI  {2991} 72 HA 75 HA 4.800 2.900 1.200 peak 2991 volume 0.38125E-03 ppm1 3.618 ppm2 3.900  
   ORs {2991} 7 HA 72 HA  
   OR  {2999} 72 HA 72 HG1   
 ASSI  {2981} 72 HA 76 HN 3.000 1.100 1.100 peak 2981 volume 0.20228E-02 ppm1 3.618 ppm2 8.727  
   OR  {2981} 72 HA 75 HN   
 ASSI  {2936} 73 HA 76 HN 3.200 1.300 1.300 peak 2936 volume 0.14308E-02 ppm1 4.246 ppm2 8.705  
   OR  {2936} 73 HA 75 HN   
 ASSIs {482} 74 HN 76 HN 4.000 2.000 2.000 peak 482 volume 0.46836E-03 ppm1 7.687 ppm2 8.703  
   OR  {486} 72 HN 74 HD1%   
 ASSIs {1760} 74 HD2% 78 HB 4.600 2.600 1.400 peak 1760 volume 0.41038E-03 ppm1 1.067 ppm2 1.956  
   ORs {1760} 10 HD1% 78 HB  
   ORs {1760} 74 HD1% 78 HB   
 ASSI  {2081} 74 HB1 78 HD1% 4.700 2.800 1.300 peak 2081 volume 0.37702E-03 ppm1 2.435 ppm2 0.805  
   OR  {2081} 74 HB1 75 HD1%  
   ORs {2081} 31 HD2% 74 HB1   
 ASSIs {26} 74 HA 78 HD1% 3.100 1.200 1.200 peak 26 volume 0.53475E-03 ppm1 4.324 ppm2 0.806  
   ORs {26} 52 HA 78 HD1%   
 ASSI  {402} 74 HD2% 78 HG11 2.200 0.600 0.600 peak 402 volume 0.10918E-01 ppm1 1.079 ppm2 1.720  
   OR  {402} 74 HD1% 74 HB2  
   OR  {402} 74 HD1% 78 HG11  
   OR  {402} 74 HD2% 74 HB2   
 ASSIs {87} 74 HD2% 78 HD1% 2.400 0.700 0.700 peak 87 volume 0.51222E-02 ppm1 1.070 ppm2 0.808  
   ORs {87} 10 HD1% 78 HD1%  
   ORs {87} 74 HD1% 78 HD1%   
 ASSI  {1078} 75 HD2% 79 HD21 3.900 1.900 1.900 peak 1078 volume 0.16783E-02 ppm1 0.891 ppm2 7.332  
   OR  {1078} 52 HD1% 79 HD21  
   OR  {1079} 5 HN 5 HB1  
   OR  {1079} 5 HN 5 HG   
 ASSI  {1080} 75 HD2% 79 HD22 3.500 1.500 1.500 peak 1080 volume 0.20817E-02 ppm1 0.890 ppm2 7.671  
   ORs {1080} 74 HN 75 HD2%  
   OR  {1082} 5 HN 82 HD1%   
 ASSIs {116} 75 HD2% 79 HD22 3.400 1.400 1.400 peak 116 volume 0.14190E-02 ppm1 0.892 ppm2 7.669  
   ORs {116} 78 HG2% 79 HD22   
 ASSIs {125} 75 HG 79 HD22 3.100 1.200 1.200 peak 125 volume 0.14960E-02 ppm1 1.706 ppm2 7.669  
   ORs {125} 4 HG 79 HD22   
 ASSI  {2874} 75 HA 79 HN 3.700 1.800 1.800 peak 2874 volume 0.56307E-03 ppm1 3.902 ppm2 8.875  
   ORs {2874} 7 HN 75 HA   
 ASSI  {2877} 75 HA 79 HD22 4.100 2.100 1.900 peak 2877 volume 0.45184E-03 ppm1 3.912 ppm2 7.676  
   ORs {2877} 74 HN 75 HA   
 ASSI  {891} 75 HD1% 79 HD21 3.300 1.300 1.300 peak 891 volume 0.30195E-02 ppm1 0.807 ppm2 7.331  
   OR  {891} 47 HN 49 HB%   
 ASSI  {2729} 76 HA 79 HD22 3.700 1.700 1.700 peak 2729 volume 0.77149E-03 ppm1 4.496 ppm2 7.671  
   ORs {2729} 74 HN 76 HA  
   OR  {2749} 76 HA 78 HG2%   
 ASSIs {176} 76 HA 80 HN 4.100 2.100 1.900 peak 176 volume 0.84054E-03 ppm1 4.491 ppm2 8.443   
 ASSIs {165} 77 HD1% 80 HN 3.700 1.700 1.700 peak 165 volume 0.45320E-03 ppm1 0.979 ppm2 8.443  
   ORs {165} 4 HD2% 80 HN  
   ORs {165} 58 HG2% 80 HN   
 ASSIs {174} 77 HA 80 HN 3.300 1.300 1.300 peak 174 volume 0.11524E-02 ppm1 4.286 ppm2 8.444   
 ASSIs {2433} 77 HD1% 80 HA1 3.800 1.800 1.800 peak 2433 volume 0.40588E-03 ppm1 0.973 ppm2 4.039  
   ORs {2433} 4 HD2% 80 HA2  
   ORs {2433} 58 HG2% 80 HA1  
   ORs {2433} 58 HG2% 80 HA2  
   ORs {2433} 77 HD2% 80 HA1   
 ASSI  {2869} 77 HA 80 HN 3.200 1.300 1.300 peak 2869 volume 0.13607E-02 ppm1 4.287 ppm2 8.435  
   OR  {2869} 43 HA 45 HN  
   OR  {2869} 43 HA 47 HN   
 ASSIs {1037} 77 HA 81 HN 4.400 2.400 1.600 peak 1037 volume 0.34928E-03 ppm1 4.293 ppm2 7.608   
 ASSIs {166} 78 HG2% 80 HN 4.500 2.500 1.500 peak 166 volume 0.38070E-03 ppm1 0.884 ppm2 8.441  
   ORs {166} 4 HD1% 80 HN   
 ASSIs {1051} 78 HG2% 81 HN 4.500 2.500 1.500 peak 1051 volume 0.33161E-03 ppm1 0.883 ppm2 7.608  
   ORs {1051} 4 HD1% 81 HN   
 ASSI  {205} 78 HG2% 82 HN 3.400 1.500 1.500 peak 205 volume 0.17274E-02 ppm1 0.876 ppm2 8.286  
   OR  {205} 78 HG2% 78 HN   
 ASSIs {2203} 78 HG2% 82 HB1 3.000 1.100 1.100 peak 2203 volume 0.16206E-02 ppm1 0.889 ppm2 2.030  
   ORs {2203} 4 HD1% 82 HB1   
 ASSIs {2694} 78 HG2% 82 HA 4.400 2.400 1.600 peak 2694 volume 0.47495E-03 ppm1 0.886 ppm2 4.217  
   ORs {2694} 4 HD1% 82 HA   
 ASSIs {692} 78 HG2% 82 HN 3.200 1.300 1.300 peak 692 volume 0.29657E-02 ppm1 0.882 ppm2 8.287  
   ORs {692} 4 HD1% 82 HN  
   ORs {692} 52 HD1% 78 HN   
 ASSI  {497} 79 HN 81 HB% 4.600 2.600 1.400 peak 497 volume 0.53241E-03 ppm1 8.881 ppm2 1.631  
   OR  {497} 79 HN 83 HB%  
   ORs {497} 4 HB1 79 HN  
   ORs {497} 5 HB1 79 HN  
   OR  {498} 72 HN 73 HB2   
 ASSIs {667} 79 HA 82 HN 3.200 1.200 1.200 peak 667 volume 0.14664E-02 ppm1 4.920 ppm2 8.296   
 ASSIs {980} 79 HA 82 HD2% 2.600 2.600 3.400 peak 980 volume 0.19406E-02 ppm1 4.919 ppm2 0.988  
   OR  {983} 33 HD2% 37 HB2   
 ASSI  {2435} 80 HA2 83 HB% 3.000 1.100 1.100 peak 2435 volume 0.32267E-02 ppm1 4.036 ppm2 1.623  
   OR  {2435} 80 HA1 81 HB%  
   OR  {2435} 80 HA1 83 HB%  
   OR  {2435} 80 HA2 81 HB%   
 ASSIs {817} 81 HA 83 HN 4.000 2.000 2.000 peak 817 volume 0.51110E-03 ppm1 4.467 ppm2 7.968   
 ASSI  {2547} 81 HA 84 HB2 3.500 1.500 1.500 peak 2547 volume 0.10438E-02 ppm1 4.465 ppm2 2.147  
   ORs {2547} 58 HB 81 HA   
 ASSIs {447} 81 HA 84 HN 3.700 1.800 1.800 peak 447 volume 0.85285E-03 ppm1 4.476 ppm2 7.752   
 ASSIs {441} 82 HD2% 84 HN 4.100 2.100 1.900 peak 441 volume 0.26974E-03 ppm1 0.982 ppm2 7.748  
   ORs {441} 58 HG2% 84 HN  
   ORs {441} 82 HD1% 84 HN  
   OR  {447} 84 HN 85 HA   
 ASSI  {2697} 82 HA 85 HB% 2.500 0.800 0.800 peak 2697 volume 0.52940E-02 ppm1 4.217 ppm2 1.580  
   OR  {2697} 82 HA 82 HB2   
 ASSIs {526} 82 HA 85 HB% 2.900 1.000 1.000 peak 526 volume 0.24649E-02 ppm1 4.221 ppm2 1.585   
 ASSI  {3120} 3 HA 4 HD2% 4.400 2.500 1.600 peak 3120 volume 0.59616E-03 ppm1 4.413 ppm2 0.982  
   OR  {3120} 3 HA 82 HD1%  
   OR  {3120} 3 HA 82 HD2%  
   ORs {3120} 33 HD1% 35 HA  
   OR  {3130} 24 HA 26 HN   
 ASSI  {3350} 3 HB 4 HD2% 3.800 1.800 1.800 peak 3350 volume 0.10518E-02 ppm1 4.204 ppm2 0.989  
   OR  {3350} 3 HB 82 HD1%  
   OR  {3350} 3 HB 82 HD2%  
   OR  {3385} 56 HE% 78 HG2%  
   OR  {3385} 56 HE% 78 HG2%   
 ASSIs {1079} 4 HB1 5 HN 2.400 0.700 0.700 peak 1079 volume 0.41020E-02 ppm1 1.605 ppm2 9.419   
 ASSIs {1082} 4 HD2% 5 HN 3.500 1.500 1.500 peak 1082 volume 0.19241E-02 ppm1 0.987 ppm2 9.420  
   OR  {1083} 5 HN 52 HD1%  
   OR  {1083} 5 HN 78 HG2%   
 ASSIs {1083} 4 HD1% 5 HN 4.000 2.000 2.000 peak 1083 volume 0.12468E-02 ppm1 0.892 ppm2 9.420   
 ASSI  {2248} 4 HB1 5 HN 2.300 0.700 0.700 peak 2248 volume 0.45667E-02 ppm1 1.615 ppm2 9.421  
   OR  {2248} 5 HB1 5 HN   
 ASSIs {2643} 4 HD2% 5 HA 4.300 2.400 1.700 peak 2643 volume 0.62726E-03 ppm1 0.987 ppm2 4.530   
 ASSI  {769} 4 HD1% 5 HA 5.700 4.100 0.300 peak 769 volume 0.18283E-03 ppm1 0.903 ppm2 4.526   
 ASSIs {907} 4 HG 5 HD2% 4.600 2.700 1.400 peak 907 volume 0.57066E-03 ppm1 1.719 ppm2 0.682   
 ASSIs {352} 6 HG2% 7 HN 3.600 1.600 1.600 peak 352 volume 0.34932E-02 ppm1 1.415 ppm2 8.852   
 ASSIs {2045} 7 HN 8 HB1 4.400 2.400 1.600 peak 2045 volume 0.68993E-03 ppm1 8.855 ppm2 2.726  
   ORs {2045} 7 HN 8 HB2  
   ORs {2045} 7 HN 9 HB2   
 ASSI  {351} 7 HN 8 HB1 4.900 3.100 1.100 peak 351 volume 0.44428E-03 ppm1 8.852 ppm2 2.729  
   OR  {351} 7 HN 8 HB2  
   OR  {351} 7 HN 9 HB2   
 ASSIs {664} 7 HB 8 HN 2.900 1.100 1.100 peak 664 volume 0.20139E-02 ppm1 4.314 ppm2 8.285  
   ORs {664} 74 HA 78 HN  
   OR  {665} 74 HD1% 75 HB2   
 ASSIs {665} 7 HA 8 HN 3.200 1.300 1.300 peak 665 volume 0.13783E-02 ppm1 3.904 ppm2 8.282   
 ASSIs {694} 7 HG2% 8 HN 4.000 2.000 2.000 peak 694 volume 0.10319E-02 ppm1 1.408 ppm2 8.281  
   ORs {694} 6 HG2% 8 HN   
 ASSI  {2033} 9 HB2 10 HN 2.900 1.100 1.100 peak 2033 volume 0.20548E-02 ppm1 2.723 ppm2 8.100  
   OR  {2033} 8 HB2 10 HN   
 ASSI  {2051} 9 HB1 10 HN 2.700 0.900 0.900 peak 2051 volume 0.35862E-02 ppm1 3.044 ppm2 8.089  
   OR  {2051} 32 HB1 32 HN   
 ASSI  {708} 9 HN 10 HB2 4.500 2.600 1.500 peak 708 volume 0.58915E-03 ppm1 7.907 ppm2 1.593  
   OR  {708} 4 HD1% 83 HB%  
   ORs {708} 5 HB1 9 HN   
 ASSIs {3020} 10 HG 11 HA 3.300 1.400 1.400 peak 3020 volume 0.11390E-02 ppm1 1.904 ppm2 3.525   
 ASSIs {619} 10 HG 11 HN 3.800 1.800 1.800 peak 619 volume 0.74025E-03 ppm1 1.914 ppm2 8.841   
 ASSIs {638} 10 HD1% 11 HN 4.600 2.600 1.400 peak 638 volume 0.64633E-03 ppm1 1.056 ppm2 8.842   
 ASSI  {821} 10 HN 11 HB1 4.500 2.500 1.500 peak 821 volume 0.52672E-03 ppm1 8.099 ppm2 2.049  
   OR  {821} 10 HN 11 HB2  
   OR  {821} 10 HN 12 HB1  
   OR  {821} 10 HN 12 HB2   
 ASSIs {2960} 11 HG1 12 HA 4.600 2.700 1.400 peak 2960 volume 0.37248E-03 ppm1 1.404 ppm2 4.043   
 ASSI  {3021} 11 HA 12 HA 5.200 3.400 0.800 peak 3021 volume 0.13641E-03 ppm1 3.525 ppm2 4.045  
   OR  {3021} 11 HA 71 HD1   
 ASSIs {355} 11 HB1 12 HN 2.100 0.600 0.600 peak 355 volume 0.11428E-01 ppm1 2.042 ppm2 7.989  
   ORs {355} 11 HB2 12 HN   
 ASSIs {359} 11 HG2 12 HN 3.700 1.700 1.700 peak 359 volume 0.80906E-03 ppm1 1.140 ppm2 7.988   
 ASSI  {1470} 12 HB2 13 HN 2.900 1.000 1.000 peak 1470 volume 0.27672E-02 ppm1 2.040 ppm2 7.723  
   OR  {1470} 11 HB1 13 HN  
   OR  {1470} 12 HB1 13 HN   
 ASSIs {2578} 12 HB2 13 HA 3.800 1.800 1.800 peak 2578 volume 0.71388E-03 ppm1 2.035 ppm2 4.399  
   ORs {2578} 12 HB1 13 HA  
   OR  {258} 17 HN 48 HA   
 ASSI  {2087} 14 HB1 15 HG2% 4.000 2.000 2.000 peak 2087 volume 0.11313E-02 ppm1 2.007 ppm2 1.137  
   OR  {2087} 14 HB1 48 HG2%  
   ORs {2087} 11 HG2 14 HB1   
 ASSIs {401} 14 HB2 15 HG2% 2.900 1.000 1.000 peak 401 volume 0.35685E-02 ppm1 1.413 ppm2 1.129  
   ORs {401} 11 HG1 15 HG2%   
 ASSI  {573} 14 HN 15 HB 5.000 3.100 1.000 peak 573 volume 0.39411E-03 ppm1 8.421 ppm2 2.294  
   OR  {573} 14 HN 16 HB1  
   OR  {573} 58 HG2% 61 HD2   
 ASSIs {1754} 15 HG1% 16 HG1 4.800 2.900 1.200 peak 1754 volume 0.42450E-03 ppm1 1.062 ppm2 2.638   
 ASSIs {2884} 15 HN 16 HA 4.700 2.800 1.300 peak 2884 volume 0.40325E-03 ppm1 8.503 ppm2 4.211   
 ASSI  {3264} 15 HA 16 HN 3.100 1.200 1.200 peak 3264 volume 0.19677E-02 ppm1 3.931 ppm2 8.241  
   OR  {3264} 15 HA 19 HN   
 ASSI  {373} 15 HG1% 16 HN 3.500 1.500 1.500 peak 373 volume 0.16701E-02 ppm1 1.052 ppm2 8.242  
   OR  {373} 15 HG1% 19 HN   
 ASSIs {674} 15 HB 16 HN 2.300 0.700 0.700 peak 674 volume 0.81991E-02 ppm1 2.278 ppm2 8.241  
   OR  {678} 68 HG1% 74 HG  
   OR  {678} 68 HG1% 77 HD1%  
   OR  {678} 68 HG1% 77 HD2%   
 ASSI  {756} 15 HN 16 HN 2.400 0.700 0.700 peak 756 volume 0.61689E-02 ppm1 8.503 ppm2 8.245  
   OR  {756} 20 HN 21 HN  
   ORs {756} 19 HN 20 HN   
 ASSI  {1728} 16 HG2 17 HN 5.600 3.900 0.400 peak 1728 volume 0.18072E-03 ppm1 2.409 ppm2 7.804  
   OR  {1728} 16 HG2 18 HN   
 ASSIs {251} 16 HN 17 HN 2.600 0.800 0.800 peak 251 volume 0.33563E-02 ppm1 8.241 ppm2 7.809   
 ASSIs {261} 16 HB1 17 HN 3.700 1.700 1.700 peak 261 volume 0.17284E-02 ppm1 2.273 ppm2 7.809  
   ORs {261} 11 HB1 13 HB%  
   ORs {261} 12 HB1 13 HB%  
   ORs {261} 12 HB2 13 HB%  
   ORs {261} 15 HB 17 HN   
 ASSI  {2882} 16 HA 17 HN 3.200 1.300 1.300 peak 2882 volume 0.17536E-02 ppm1 4.213 ppm2 7.811  
   OR  {2882} 16 HA 18 HN   
 ASSIs {3214} 16 HN 17 HB1 5.300 3.600 0.700 peak 3214 volume 0.19425E-03 ppm1 8.239 ppm2 4.150   
 ASSI  {651} 16 HN 17 HN 2.600 0.900 0.900 peak 651 volume 0.31832E-02 ppm1 8.240 ppm2 7.812  
   OR  {651} 16 HN 18 HN   
 ASSI  {2967} 17 HA 18 HB% 4.200 2.200 1.800 peak 2967 volume 0.80001E-03 ppm1 4.587 ppm2 1.549  
   OR  {2967} 17 HA 44 HB%   
 ASSI  {3165} 17 HB1 18 HB% 3.900 1.900 1.900 peak 3165 volume 0.94857E-03 ppm1 4.151 ppm2 1.537  
   OR  {3165} 17 HB1 44 HB%   
 ASSI  {3166} 17 HB2 18 HB% 3.800 1.800 1.800 peak 3166 volume 0.99582E-03 ppm1 4.068 ppm2 1.539  
   OR  {3166} 17 HB2 44 HB%   
 ASSIs {942} 17 HB2 18 HN 3.600 1.600 1.600 peak 942 volume 0.11440E-02 ppm1 4.068 ppm2 7.810   
 ASSI  {2511} 18 HA 19 HA2 3.900 1.900 1.900 peak 2511 volume 0.84405E-03 ppm1 4.359 ppm2 4.078  
   OR  {2511} 18 HA 19 HA1  
   ORs {2511} 17 HB2 18 HA   
 ASSI  {533} 18 HB% 19 HA1 3.600 1.700 1.700 peak 533 volume 0.14114E-02 ppm1 1.554 ppm2 4.077  
   OR  {533} 18 HB% 19 HA2  
   ORs {533} 17 HB2 18 HB%   
 ASSIs {77} 18 HN 19 HN 2.800 1.000 1.000 peak 77 volume 0.30771E-02 ppm1 7.812 ppm2 8.243  
   ORs {77} 17 HN 19 HN   
 ASSI  {948} 18 HN 19 HN 3.100 1.200 1.200 peak 948 volume 0.18625E-02 ppm1 7.810 ppm2 8.243  
   OR  {948} 5 HD1% 78 HG12  
   ORs {948} 16 HN 18 HN   
 ASSIs {2570} 21 HG2% 22 HA 4.400 2.500 1.600 peak 2570 volume 0.30811E-03 ppm1 1.233 ppm2 4.729   
 ASSI  {276} 21 HN 22 HN 2.800 0.900 0.900 peak 276 volume 0.48113E-02 ppm1 8.252 ppm2 8.504  
   ORs {276} 20 HN 21 HN   
 ASSIs {3130} 23 HN 24 HA 4.000 2.000 2.000 peak 3130 volume 0.81057E-03 ppm1 8.488 ppm2 4.348   
 ASSIs {380} 23 HN 24 HG2% 3.800 1.800 1.800 peak 380 volume 0.49095E-03 ppm1 8.474 ppm2 1.294   
 ASSIs {2568} 24 HA 25 HA 4.200 2.200 1.800 peak 2568 volume 0.61558E-03 ppm1 4.363 ppm2 4.726  
   OR  {2570} 25 HA 26 HB2   
 ASSI  {2565} 25 HA 26 HN 2.200 0.600 0.600 peak 2565 volume 0.10620E-01 ppm1 4.729 ppm2 8.473  
   OR  {2565} 22 HA 22 HN  
   OR  {2565} 22 HA 23 HN  
   OR  {2568} 25 HA 26 HA   
 ASSI  {1107} 26 HD2% 27 HN 3.600 1.600 1.600 peak 1107 volume 0.24173E-03 ppm1 0.811 ppm2 8.219  
   ORs {1107} 16 HN 26 HD2%   
 ASSIs {1114} 30 HN 31 HG 4.100 2.100 1.900 peak 1114 volume 0.56117E-03 ppm1 8.073 ppm2 1.215   
 ASSI  {1907} 30 HB2 31 HG 4.300 2.300 1.700 peak 1907 volume 0.48587E-03 ppm1 3.015 ppm2 1.225  
   OR  {1907} 40 HB1 68 HG2%  
   OR  {1908} 30 HB1 31 HG   
 ASSIs {2809} 30 HB2 31 HA 4.400 2.400 1.600 peak 2809 volume 0.36033E-03 ppm1 3.032 ppm2 3.316   
 ASSIs {413} 30 HE% 31 HD1% 4.000 2.000 2.000 peak 413 volume 0.16975E-02 ppm1 7.225 ppm2 0.459   
 ASSIs {556} 30 HN 31 HN 2.100 0.600 0.600 peak 556 volume 0.75767E-02 ppm1 8.071 ppm2 7.538   
 ASSIs {817} 30 HN 31 HD1% 4.900 3.000 1.100 peak 817 volume 0.55514E-03 ppm1 8.079 ppm2 0.458   
 ASSI  {921} 30 HN 31 HD2% 4.200 2.300 1.800 peak 921 volume 0.29167E-03 ppm1 8.065 ppm2 0.796  
   ORs {921} 26 HD2% 30 HN   
 ASSIs {932} 30 HE% 31 HD2% 4.800 2.800 1.200 peak 932 volume 0.29050E-03 ppm1 7.222 ppm2 0.792   
 ASSIs {193} 31 HA 32 HN 3.400 1.400 1.400 peak 193 volume 0.93947E-03 ppm1 3.304 ppm2 8.082  
   ORs {193} 30 HB1 32 HN   
 ASSI  {2155} 31 HB1 32 HN 3.700 1.700 1.700 peak 2155 volume 0.14462E-02 ppm1 1.650 ppm2 8.083  
   ORs {2155} 30 HN 31 HB1   
 ASSI  {2182} 31 HB2 32 HN 3.400 1.500 1.500 peak 2182 volume 0.65957E-03 ppm1 1.031 ppm2 8.086  
   ORs {2182} 30 HN 31 HB2   
 ASSIs {2517} 31 HB1 32 HA 3.800 1.800 1.800 peak 2517 volume 0.76044E-03 ppm1 1.623 ppm2 5.053   
 ASSI  {2797} 31 HA 32 HN 3.400 1.400 1.400 peak 2797 volume 0.86740E-03 ppm1 3.308 ppm2 8.082  
   ORs {2797} 30 HN 31 HA   
 ASSI  {893} 31 HD2% 32 HN 4.200 2.300 1.800 peak 893 volume 0.65412E-03 ppm1 0.807 ppm2 8.100  
   OR  {893} 30 HN 31 HA  
   ORs {893} 10 HN 75 HD1%   
 ASSI  {2053} 32 HB2 33 HN 3.800 1.800 1.800 peak 2053 volume 0.57962E-03 ppm1 2.368 ppm2 7.223  
   OR  {2053} 10 HB1 30 HE%   
 ASSIs {2562} 32 HB1 33 HA 3.800 1.800 1.800 peak 2562 volume 0.25838E-03 ppm1 3.045 ppm2 4.311   
 ASSIs {969} 32 HN 33 HD2% 3.600 1.700 1.700 peak 969 volume 0.31729E-03 ppm1 8.076 ppm2 1.085  
   ORs {969} 30 HN 33 HD2%   
 ASSI  {2582} 34 HA 35 HN 2.200 0.600 0.600 peak 2582 volume 0.58964E-02 ppm1 4.747 ppm2 8.460  
   OR  {2582} 34 HA 34 HN   
 ASSIs {3104} 34 HB1 35 HA 4.200 2.200 1.800 peak 3104 volume 0.31334E-03 ppm1 2.181 ppm2 4.391   
 ASSIs {2888} 35 HB2 36 HA 4.300 2.300 1.700 peak 2888 volume 0.36782E-03 ppm1 3.116 ppm2 4.350   
 ASSIs {460} 35 HB2 36 HN 2.700 0.900 0.900 peak 460 volume 0.23229E-02 ppm1 3.108 ppm2 9.541   
 ASSI  {461} 36 HN 37 HB2 5.000 3.200 1.000 peak 461 volume 0.36853E-03 ppm1 9.541 ppm2 3.001  
   OR  {461} 36 HN 40 HB1  
   OR  {472} 76 HN 78 HG11   
 ASSIs {534} 36 HB2 37 HN 3.000 1.100 1.100 peak 534 volume 0.22623E-02 ppm1 2.156 ppm2 7.534  
   ORs {534} 34 HB1 37 HN  
   OR  {535} 37 HN 38 HB   
 ASSIs {535} 36 HG1 37 HN 3.700 1.700 1.700 peak 535 volume 0.16735E-02 ppm1 2.490 ppm2 7.534  
   ORs {535} 36 HG2 37 HN  
   OR  {54} 60 HD1% 77 HA   
 ASSI  {2016} 37 HB1 38 HG2% 3.300 1.400 1.400 peak 2016 volume 0.86405E-03 ppm1 3.101 ppm2 1.083  
   ORs {2016} 33 HD2% 37 HB1   
 ASSI  {2017} 37 HB2 38 HG2% 4.300 2.300 1.700 peak 2017 volume 0.78278E-03 ppm1 3.002 ppm2 1.082  
   ORs {2017} 33 HD2% 37 HB2  
   OR  {2018} 9 HB1 10 HB2   
 ASSI  {2034} 37 HB1 38 HN 3.500 1.500 1.500 peak 2034 volume 0.48901E-03 ppm1 3.092 ppm2 7.735  
   OR  {2034} 37 HB1 39 HN   
 ASSI  {2035} 37 HB2 38 HN 4.200 2.200 1.800 peak 2035 volume 0.72662E-03 ppm1 3.005 ppm2 7.735  
   OR  {2035} 37 HB2 39 HN   
 ASSIs {225} 37 HB1 38 HN 3.000 1.100 1.100 peak 225 volume 0.12652E-02 ppm1 3.101 ppm2 7.732  
   ORs {225} 35 HB2 38 HN   
 ASSIs {226} 37 HB2 38 HN 4.000 2.000 2.000 peak 226 volume 0.10735E-02 ppm1 3.001 ppm2 7.732   
 ASSIs {515} 37 HA 38 HG2% 5.200 3.400 0.800 peak 515 volume 0.20882E-03 ppm1 4.790 ppm2 1.082  
   ORs {515} 30 HA 38 HG2%   
 ASSI  {1215} 38 HG11 39 HN 2.900 1.100 1.100 peak 1215 volume 0.26444E-02 ppm1 1.831 ppm2 7.732  
   OR  {1215} 38 HG11 38 HN   
 ASSIs {1951} 39 HN 40 HB1 5.700 4.100 0.300 peak 1951 volume 0.32280E-03 ppm1 7.734 ppm2 3.009  
   ORs {1951} 38 HN 40 HB1   
 ASSIs {3419} 39 HA1 40 HE% 4.000 2.000 2.000 peak 3419 volume 0.39572E-03 ppm1 4.262 ppm2 6.739  
   ORs {3419} 24 HB 40 HE%   
 ASSIs {871} 39 HN 40 HN 2.400 0.700 0.700 peak 871 volume 0.57412E-02 ppm1 7.737 ppm2 8.083  
   ORs {871} 38 HN 40 HN  
   OR  {876} 31 HD2% 71 HG2   
 ASSI  {3429} 40 HE% 41 HN 4.500 2.500 1.500 peak 3429 volume 0.48789E-03 ppm1 6.738 ppm2 8.060  
   OR  {3429} 40 HE% 40 HN  
   OR  {3429} 40 HE% 44 HN   
 ASSIs {278} 41 HN 42 HN 4.300 2.300 1.700 peak 278 volume 0.69018E-03 ppm1 8.046 ppm2 8.561   
 ASSI  {269} 44 HB% 45 HN 2.700 0.900 0.900 peak 269 volume 0.40950E-02 ppm1 1.529 ppm2 8.425  
   OR  {269} 44 HB% 47 HN   
 ASSIs {886} 44 HN 45 HN 2.500 0.800 0.800 peak 886 volume 0.33016E-02 ppm1 8.064 ppm2 8.424  
   ORs {886} 7 HA 31 HD2%  
   ORs {886} 41 HN 45 HN   
 ASSI  {1056} 45 HG 46 HA 3.400 1.500 1.500 peak 1056 volume 0.13730E-02 ppm1 1.347 ppm2 4.246  
   OR  {1056} 71 HG2 71 HA   
 ASSI  {1116} 45 HG 46 HN 3.900 1.900 1.900 peak 1116 volume 0.51927E-03 ppm1 1.368 ppm2 8.335  
   OR  {1116} 45 HG 48 HN   
 ASSIs {1571} 45 HA 46 HG1 4.800 2.800 1.200 peak 1571 volume 0.25916E-03 ppm1 3.917 ppm2 2.884   
 ASSIs {1598} 45 HB2 46 HG1 4.400 2.400 1.600 peak 1598 volume 0.33457E-03 ppm1 1.540 ppm2 2.882  
   ORs {1598} 44 HB% 46 HG1   
 ASSIs {1600} 45 HB1 46 HG2 4.900 3.000 1.100 peak 1600 volume 0.23336E-03 ppm1 1.664 ppm2 2.767   
 ASSI  {2862} 45 HA 46 HN 3.000 1.100 1.100 peak 2862 volume 0.18218E-02 ppm1 3.910 ppm2 8.332  
   OR  {2862} 45 HA 48 HN   
 ASSIs {580} 45 HG 46 HN 4.000 2.000 2.000 peak 580 volume 0.74234E-03 ppm1 1.376 ppm2 8.348   
 ASSI  {806} 45 HD1% 46 HN 4.700 2.800 1.300 peak 806 volume 0.39577E-03 ppm1 0.211 ppm2 8.333  
   OR  {806} 45 HD1% 48 HN   
 ASSI  {814} 45 HD2% 46 HN 5.000 3.100 1.000 peak 814 volume 0.31770E-03 ppm1 0.391 ppm2 8.348  
   OR  {814} 45 HD2% 48 HN  
   OR  {817} 31 HD1% 32 HN  
   OR  {817} 83 HN 85 HA   
 ASSI  {544} 46 HN 47 HN 2.500 0.800 0.800 peak 544 volume 0.40503E-02 ppm1 8.345 ppm2 8.416  
   ORs {544} 45 HN 46 HN   
 ASSI  {1346} 47 HB1 48 HN 3.200 1.300 1.300 peak 1346 volume 0.10864E-02 ppm1 2.349 ppm2 8.328  
   ORs {1346} 46 HN 47 HB1   
 ASSI  {1347} 47 HB2 48 HN 4.100 2.100 1.900 peak 1347 volume 0.10294E-02 ppm1 2.230 ppm2 8.330  
   ORs {1347} 46 HN 47 HB2  
   OR  {1351} 53 HB2 60 HN   
 ASSI  {1681} 47 HG1 48 HN 4.500 2.600 1.500 peak 1681 volume 0.35684E-03 ppm1 2.587 ppm2 8.332  
   ORs {1681} 46 HN 47 HG1   
 ASSI  {1682} 47 HG2 48 HN 4.900 3.000 1.100 peak 1682 volume 0.29018E-03 ppm1 2.475 ppm2 8.330  
   ORs {1682} 46 HN 47 HG2   
 ASSI  {2941} 47 HA 48 HN 3.300 1.400 1.400 peak 2941 volume 0.12968E-02 ppm1 4.259 ppm2 8.331  
   ORs {2941} 46 HN 47 HA   
 ASSIs {554} 47 HB1 48 HN 3.000 1.100 1.100 peak 554 volume 0.17053E-02 ppm1 2.348 ppm2 8.332  
   ORs {554} 46 HB1 48 HN   
 ASSIs {555} 47 HA 48 HN 3.300 1.300 1.300 peak 555 volume 0.13272E-02 ppm1 4.260 ppm2 8.332  
   ORs {555} 46 HA 48 HN  
   OR  {556} 31 HN 32 HN   
 ASSI  {794} 47 HN 48 HN 2.300 0.600 0.600 peak 794 volume 0.68906E-02 ppm1 8.419 ppm2 8.335  
   OR  {794} 45 HN 46 HN  
   ORs {794} 46 HN 47 HN   
 ASSI  {1005} 49 HN 50 HB% 4.400 2.500 1.600 peak 1005 volume 0.70492E-03 ppm1 8.756 ppm2 1.668  
   ORs {1005} 13 HB% 49 HN  
   OR  {1008} 49 HN 65 HB%   
 ASSI  {1455} 51 HB2 52 HD2% 4.100 2.100 1.900 peak 1455 volume 0.62463E-03 ppm1 2.046 ppm2 1.052  
   OR  {1455} 11 HB1 15 HG1%  
   OR  {1455} 11 HB2 15 HG1%  
   OR  {1455} 11 HB2 38 HG2%  
   OR  {1455} 12 HB1 15 HG1%  
   OR  {1455} 12 HB1 52 HD2%  
   OR  {1455} 12 HB2 15 HG1%  
   OR  {1455} 12 HB2 52 HD2%  
   ORs {1455} 10 HD1% 11 HB1  
   ORs {1455} 10 HD1% 11 HB2  
   ORs {1455} 10 HD1% 12 HB1  
   ORs {1455} 10 HD1% 12 HB2  
   OR  {1458} 51 HB2 53 HG1   
 ASSI  {1475} 51 HB2 52 HN 3.200 1.300 1.300 peak 1475 volume 0.83383E-03 ppm1 2.049 ppm2 8.433  
   OR  {1475} 11 HB1 14 HN  
   OR  {1475} 12 HB1 14 HN  
   OR  {1475} 12 HB2 14 HN   
 ASSI  {1102} 52 HD1% 53 HN 4.100 2.100 1.900 peak 1102 volume 0.64283E-03 ppm1 0.879 ppm2 8.996  
   ORs {1102} 6 HN 52 HD1%  
   OR  {1103} 75 HD2% 79 HN   
 ASSIs {3009} 52 HB2 53 HA 4.700 2.700 1.300 peak 3009 volume 0.30306E-03 ppm1 1.483 ppm2 4.105  
   OR  {301} 38 HG2% 40 HB1   
 ASSIs {624} 52 HB1 53 HN 3.400 1.400 1.400 peak 624 volume 0.17697E-02 ppm1 2.226 ppm2 8.991  
   ORs {624} 51 HB1 53 HN   
 ASSIs {634} 52 HD2% 53 HN 5.000 3.100 1.000 peak 634 volume 0.42695E-03 ppm1 1.052 ppm2 8.993   
 ASSI  {726} 52 HN 53 HA 5.100 3.200 0.900 peak 726 volume 0.26025E-03 ppm1 8.436 ppm2 4.111  
   OR  {726} 52 HN 54 HB1  
   OR  {726} 52 HN 54 HB2  
   OR  {726} 52 HN 55 HA   
 ASSI  {1673} 53 HG2 54 HN 4.900 3.000 1.100 peak 1673 volume 0.45855E-03 ppm1 2.304 ppm2 8.026  
   OR  {1673} 53 HG2 57 HN   
 ASSIs {242} 55 HG2 56 HN 3.900 1.900 1.900 peak 242 volume 0.78400E-03 ppm1 0.988 ppm2 8.175   
 ASSIs {245} 55 HA 56 HN 3.200 1.300 1.300 peak 245 volume 0.28007E-02 ppm1 4.112 ppm2 8.175  
   ORs {245} 47 HN 49 HB%  
   ORs {245} 53 HA 56 HN   
 ASSIs {3396} 55 HG1 56 HE% 2.800 1.000 1.000 peak 3396 volume 0.10149E-02 ppm1 1.382 ppm2 6.824  
   ORs {3396} 55 HG1 56 HE%  
   OR  {3397} 40 HE% 44 HB%  
   OR  {3397} 40 HE% 45 HB2   
 ASSIs {3422} 55 HA 56 HE% 3.800 1.800 1.800 peak 3422 volume 0.15051E-03 ppm1 4.109 ppm2 6.822  
   ORs {3422} 53 HA 56 HE%  
   ORs {3422} 53 HA 56 HE%  
   ORs {3422} 54 HB1 56 HE%  
   ORs {3422} 55 HA 56 HE%   
 ASSIs {3607} 55 HG1 56 HD% 3.000 1.100 1.100 peak 3607 volume 0.73217E-03 ppm1 1.388 ppm2 7.449  
   ORs {3607} 55 HG1 56 HD%   
 ASSIs {3608} 55 HG2 56 HD% 3.100 1.200 1.200 peak 3608 volume 0.27498E-02 ppm1 1.033 ppm2 7.449  
   ORs {3608} 52 HD2% 56 HD%  
   ORs {3608} 52 HD2% 56 HD%  
   ORs {3608} 55 HG2 56 HD%  
   OR  {3609} 56 HD% 78 HG2%  
   OR  {3609} 56 HD% 78 HG2%   
 ASSIs {160} 56 HA 57 HN 3.500 1.500 1.500 peak 160 volume 0.10430E-02 ppm1 4.686 ppm2 8.000  
   OR  {1600} 46 HG2 50 HB%   
 ASSI  {2454} 57 HA1 58 HA 3.600 1.600 1.600 peak 2454 volume 0.85178E-03 ppm1 4.106 ppm2 4.691  
   OR  {2454} 57 HA2 58 HA  
   ORs {2454} 56 HA 57 HA1   
 ASSI  {2463} 57 HA1 58 HG2% 4.000 2.000 2.000 peak 2463 volume 0.97694E-03 ppm1 4.108 ppm2 0.977  
   OR  {2463} 57 HA1 82 HD2%  
   OR  {2463} 57 HA2 58 HG2%  
   OR  {2463} 57 HA2 82 HD1%  
   OR  {2463} 57 HA2 82 HD2%  
   OR  {2470} 61 HD2 64 HG2%   
 ASSIs {2927} 57 HA1 58 HA 3.500 1.600 1.600 peak 2927 volume 0.14371E-02 ppm1 4.109 ppm2 4.694  
   ORs {2927} 53 HA 58 HA  
   ORs {2927} 55 HA 56 HA  
   ORs {2927} 57 HA2 58 HA   
 ASSIs {3182} 58 HA 59 HB1 4.800 2.900 1.200 peak 3182 volume 0.33548E-03 ppm1 4.681 ppm2 3.815  
   OR  {3184} 78 HA 82 HD1%  
   OR  {3184} 78 HA 82 HD2%   
 ASSI  {3181} 59 HB2 60 HA 3.900 1.900 1.900 peak 3181 volume 0.39566E-03 ppm1 3.762 ppm2 4.694  
   ORs {3181} 58 HA 59 HB2  
   OR  {3182} 59 HB1 60 HA   
 ASSI  {3219} 59 HB2 60 HG11 4.700 2.700 1.300 peak 3219 volume 0.31013E-03 ppm1 3.761 ppm2 1.504  
   ORs {3219} 60 HG11 78 HA   
 ASSIs {2470} 60 HG2% 61 HD2 2.700 0.900 0.900 peak 2470 volume 0.37869E-02 ppm1 1.034 ppm2 3.582  
   OR  {2471} 61 HD1 64 HG2%   
 ASSIs {2471} 60 HG2% 61 HD1 3.500 1.500 1.500 peak 2471 volume 0.35603E-02 ppm1 1.034 ppm2 4.022  
   OR  {2482} 61 HD2 65 HN   
 ASSIs {2482} 60 HN 61 HD2 4.800 2.900 1.200 peak 2482 volume 0.32021E-03 ppm1 8.228 ppm2 3.586  
   OR  {2484} 61 HD1 65 HN   
 ASSIs {2484} 60 HN 61 HD1 4.200 2.300 1.800 peak 2484 volume 0.41564E-03 ppm1 8.233 ppm2 4.022   
 ASSIs {3159} 60 HG2% 61 HA 4.600 2.600 1.400 peak 3159 volume 0.66473E-03 ppm1 1.056 ppm2 4.545   
 ASSI  {3156} 61 HA 62 HB2 4.800 2.800 1.200 peak 3156 volume 0.65290E-03 ppm1 4.543 ppm2 2.759  
   OR  {3156} 61 HA 63 HB1  
   OR  {3156} 61 HA 63 HB2  
   OR  {3159} 61 HA 64 HG2%   
 ASSIs {2637} 64 HG1% 65 HA 2.700 0.900 0.900 peak 2637 volume 0.44533E-02 ppm1 0.977 ppm2 3.967  
   OR  {2643} 5 HA 82 HD1%  
   OR  {2643} 5 HA 82 HD2%   
 ASSI  {374} 64 HG1% 65 HN 3.300 1.300 1.300 peak 374 volume 0.23606E-02 ppm1 0.991 ppm2 8.219  
   OR  {374} 58 HG2% 60 HN  
   OR  {376} 24 HN 25 HA   
 ASSIs {499} 64 HG1% 65 HB% 3.100 1.200 1.200 peak 499 volume 0.34437E-02 ppm1 0.990 ppm2 1.393  
   OR  {506} 38 HG2% 39 HA1   
 ASSIs {2403} 65 HB% 66 HA2 4.500 2.500 1.500 peak 2403 volume 0.34995E-03 ppm1 1.391 ppm2 3.903  
   ORs {2403} 45 HG 66 HA2   
 ASSIs {309} 67 HB1 68 HG2% 3.700 1.700 1.700 peak 309 volume 0.52453E-03 ppm1 2.071 ppm2 1.249   
 ASSIs {352} 67 HN 68 HG2% 3.600 1.600 1.600 peak 352 volume 0.16685E-02 ppm1 7.487 ppm2 1.250   
 ASSIs {420} 67 HN 68 HG1% 3.700 1.700 1.700 peak 420 volume 0.20092E-02 ppm1 7.489 ppm2 1.158   
 ASSIs {548} 67 HA 68 HG2% 4.000 2.000 2.000 peak 548 volume 0.19883E-03 ppm1 4.646 ppm2 1.249  
   OR  {551} 68 HG2% 77 HB2   
 ASSIs {551} 67 HB2 68 HG2% 4.000 2.000 2.000 peak 551 volume 0.48635E-03 ppm1 1.911 ppm2 1.247  
   OR  {552} 48 HG2% 52 HN   
 ASSIs {2376} 68 HB 69 HB1 5.600 3.900 0.400 peak 2376 volume 0.23390E-03 ppm1 2.452 ppm2 3.029   
 ASSIs {2664} 68 HN 69 HA 3.800 1.800 1.800 peak 2664 volume 0.37969E-03 ppm1 7.233 ppm2 5.271  
   ORs {2664} 30 HE% 69 HA   
 ASSIs {392} 69 HB1 70 HG2% 2.800 1.000 1.000 peak 392 volume 0.29185E-02 ppm1 3.026 ppm2 1.100   
 ASSI  {769} 69 HN 70 HG2% 4.500 2.600 1.500 peak 769 volume 0.43080E-03 ppm1 9.185 ppm2 1.081  
   OR  {769} 4 HD1% 76 HA  
   OR  {769} 69 HN 74 HD2%   
 ASSI  {136} 70 HN 71 HA 5.000 3.100 1.000 peak 136 volume 0.34586E-03 ppm1 7.493 ppm2 4.252  
   OR  {136} 70 HN 73 HA   
 ASSIs {498} 71 HB1 72 HN 4.200 2.200 1.800 peak 498 volume 0.72439E-03 ppm1 2.267 ppm2 9.003  
   OR  {499} 65 HB% 74 HG  
   OR  {499} 65 HB% 77 HD2%   
 ASSI  {2990} 72 HA 73 HA 4.200 2.200 1.800 peak 2990 volume 0.36300E-03 ppm1 3.618 ppm2 4.244  
   ORs {2990} 71 HA 72 HA   
 ASSI  {2873} 74 HA 75 HN 3.500 1.500 1.500 peak 2873 volume 0.95651E-03 ppm1 4.321 ppm2 8.726  
   OR  {2873} 74 HA 76 HN   
 ASSIs {780} 74 HD1% 75 HN 3.700 1.700 1.700 peak 780 volume 0.97855E-03 ppm1 1.066 ppm2 8.736  
   ORs {780} 10 HD1% 75 HN  
   ORs {780} 74 HD2% 75 HN   
 ASSIs {784} 74 HB2 75 HN 3.500 1.500 1.500 peak 784 volume 0.27015E-02 ppm1 1.714 ppm2 8.735   
 ASSI  {1110} 75 HG 76 HN 3.900 1.900 1.900 peak 1110 volume 0.75572E-03 ppm1 1.703 ppm2 8.722  
   OR  {1110} 75 HG 75 HN   
 ASSI  {2168} 75 HB1 76 HN 2.200 0.600 0.600 peak 2168 volume 0.64945E-02 ppm1 2.210 ppm2 8.721  
   OR  {2168} 75 HB1 75 HN   
 ASSIs {2749} 75 HD2% 76 HA 4.100 2.100 1.900 peak 2749 volume 0.77996E-03 ppm1 0.889 ppm2 4.496  
   ORs {2749} 4 HD1% 76 HA   
 ASSIs {472} 75 HG 76 HN 3.600 1.600 1.600 peak 472 volume 0.97626E-03 ppm1 1.705 ppm2 8.704  
   OR  {482} 76 HN 79 HD22   
 ASSI  {900} 75 HD1% 76 HN 4.300 2.300 1.700 peak 900 volume 0.84254E-03 ppm1 0.806 ppm2 8.729  
   OR  {900} 31 HD2% 75 HN  
   OR  {900} 75 HD1% 75 HN   
 ASSIs {3184} 77 HD1% 78 HA 3.100 1.200 1.200 peak 3184 volume 0.22136E-02 ppm1 0.972 ppm2 3.758  
   ORs {3184} 4 HD2% 78 HA  
   ORs {3184} 58 HG2% 59 HB2  
   ORs {3184} 58 HG2% 78 HA   
 ASSIs {3190} 77 HG 78 HA 3.800 1.800 1.800 peak 3190 volume 0.65553E-03 ppm1 1.841 ppm2 3.756   
 ASSI  {933} 77 HN 78 HG11 4.200 2.200 1.800 peak 933 volume 0.60521E-03 ppm1 8.022 ppm2 1.729  
   ORs {933} 75 HG 77 HN   
 ASSIs {119} 78 HG2% 79 HD21 3.500 1.600 1.600 peak 119 volume 0.13704E-02 ppm1 0.892 ppm2 7.329  
   ORs {119} 4 HD1% 79 HD21  
   ORs {119} 75 HD2% 79 HD21   
 ASSIs {490} 78 HG2% 79 HN 3.400 1.400 1.400 peak 490 volume 0.21140E-02 ppm1 0.880 ppm2 8.880  
   ORs {490} 4 HD1% 79 HN   
 ASSIs {491} 78 HD1% 79 HN 3.700 1.700 1.700 peak 491 volume 0.72478E-03 ppm1 0.799 ppm2 8.881  
   ORs {491} 75 HD1% 79 HN   
 ASSIs {496} 78 HG11 79 HN 4.000 2.000 2.000 peak 496 volume 0.87563E-03 ppm1 1.725 ppm2 8.881  
   ORs {496} 4 HG 79 HN  
   ORs {496} 75 HG 79 HN   
 ASSI  {167} 80 HN 81 HB% 4.200 2.200 1.800 peak 167 volume 0.10751E-02 ppm1 8.443 ppm2 1.632  
   OR  {167} 80 HN 83 HB%  
   OR  {1671} 53 HG1 60 HN   
 ASSIs {686} 81 HB% 82 HN 2.700 0.900 0.900 peak 686 volume 0.40865E-02 ppm1 1.633 ppm2 8.298  
   OR  {69} 78 HD1% 79 HB2   
 ASSI  {2711} 82 HA 83 HN 3.400 1.500 1.500 peak 2711 volume 0.10537E-02 ppm1 4.218 ppm2 7.964  
   OR  {2711} 82 HA 86 HN  
   OR  {272} 21 HN 23 HA1  
   OR  {272} 21 HN 23 HA2   
 ASSI  {1031} 85 HN 86 HN 3.200 1.300 1.300 peak 1031 volume 0.23628E-02 ppm1 7.833 ppm2 7.945  
   OR  {1031} 75 HD2% 75 HB1  
   ORs {1031} 83 HN 85 HN  
   OR  {1037} 81 HN 83 HA   
    
 ASSI  {1069} 4 HN 4 HD2% 4.000 2.000 2.000 peak 1069 volume 0.12681E-02 ppm1 8.145 ppm2 0.978  
   OR  {1069} 4 HN 82 HD1%  
   OR  {1069} 4 HN 82 HD2%   
 ASSI  {2221} 4 HB1 4 HA 2.800 1.000 1.000 peak 2221 volume 0.27827E-02 ppm1 1.617 ppm2 4.387  
   ORs {2221} 3 HA 4 HB1   
 ASSI  {708} 4 HD1% 4 HB1 3.000 1.100 1.100 peak 708 volume 0.52346E-02 ppm1 0.896 ppm2 1.624   
 ASSI  {948} 5 HD1% 5 HB2 2.800 1.000 1.000 peak 948 volume 0.17970E-02 ppm1 0.642 ppm2 1.323   
 ASSI  {3303} 7 HA 7 HN 2.700 0.900 0.900 peak 3303 volume 0.26202E-02 ppm1 3.881 ppm2 8.851  
   OR  {3303} 7 HA 11 HN   
 ASSI  {424} 7 HG2% 7 HN 3.600 1.700 1.700 peak 424 volume 0.17310E-02 ppm1 1.402 ppm2 8.848  
   OR  {424} 7 HG2% 11 HN   
 ASSI  {2025} 9 HB2 9 HA 2.600 0.800 0.800 peak 2025 volume 0.56502E-02 ppm1 2.722 ppm2 4.578  
   OR  {2025} 8 HB1 9 HA   
 ASSI  {2026} 9 HB1 9 HA 2.700 0.900 0.900 peak 2026 volume 0.34905E-02 ppm1 3.052 ppm2 4.565  
   ORs {2026} 5 HA 9 HB1   
 ASSI  {2030} 9 HB2 9 HN 2.400 0.700 0.700 peak 2030 volume 0.47772E-02 ppm1 2.725 ppm2 7.907  
   OR  {2030} 8 HB1 9 HN  
   OR  {2030} 8 HB2 9 HN   
 ASSI  {1182} 10 HG 10 HD1% 2.500 0.800 0.800 peak 1182 volume 0.39849E-02 ppm1 1.903 ppm2 1.054  
   OR  {1182} 10 HG 74 HD1%   
 ASSI  {2083} 10 HB1 10 HD1% 3.500 1.500 1.500 peak 2083 volume 0.23413E-02 ppm1 2.357 ppm2 1.066  
   OR  {2083} 10 HB1 74 HD1%   
 ASSI  {2100} 10 HB2 10 HD1% 2.900 1.000 1.000 peak 2100 volume 0.19312E-02 ppm1 1.568 ppm2 1.062  
   OR  {2100} 10 HB2 74 HD1%  
   ORs {2100} 10 HD1% 75 HB2  
   ORs {2100} 74 HD1% 75 HB2   
 ASSI  {2171} 10 HB1 10 HN 2.500 0.800 0.800 peak 2171 volume 0.46828E-02 ppm1 2.359 ppm2 8.097  
   OR  {2171} 32 HB2 32 HN   
 ASSI  {2822} 10 HA 10 HD2% 4.400 2.400 1.600 peak 2822 volume 0.86779E-03 ppm1 4.228 ppm2 1.156  
   OR  {2822} 10 HA 48 HG2%   
 ASSI  {711} 10 HD1% 10 HB2 2.500 0.800 0.800 peak 711 volume 0.48276E-02 ppm1 1.056 ppm2 1.570  
   OR  {711} 10 HD1% 75 HB2   
 ASSI  {799} 10 HD1% 10 HN 4.400 2.400 1.600 peak 799 volume 0.77811E-03 ppm1 1.055 ppm2 8.084  
   OR  {799} 52 HD2% 55 HN   
 ASSI  {827} 10 HN 10 HD2% 4.400 2.400 1.600 peak 827 volume 0.11097E-02 ppm1 8.098 ppm2 1.143  
   OR  {827} 10 HN 11 HG2   
 ASSI  {828} 10 HN 10 HD1% 4.200 2.200 1.800 peak 828 volume 0.12137E-02 ppm1 8.100 ppm2 1.054  
   OR  {828} 10 HN 52 HD2%   
 ASSI  {1222} 11 HG1 11 HE 3.700 1.700 1.700 peak 1222 volume 0.66195E-03 ppm1 1.403 ppm2 7.323  
   OR  {1222} 11 HG1 30 HD%   
 ASSI  {1454} 11 HB1 11 HG2 2.700 0.900 0.900 peak 1454 volume 0.29917E-02 ppm1 2.051 ppm2 1.145  
   OR  {1454} 11 HB1 15 HG2%  
   OR  {1454} 11 HB2 11 HG2  
   OR  {1454} 11 HB2 15 HG2%  
   OR  {1454} 12 HB1 15 HG2%  
   OR  {1454} 12 HB2 15 HG2%   
 ASSI  {1481} 11 HB1 11 HE 3.200 1.300 1.300 peak 1481 volume 0.16042E-02 ppm1 2.063 ppm2 7.340  
   OR  {1481} 11 HB1 30 HZ  
   OR  {1481} 11 HB2 11 HE  
   OR  {1481} 11 HB2 30 HD%  
   OR  {1481} 11 HB2 30 HZ   
 ASSI  {1493} 11 HB2 11 HG1 2.800 1.000 1.000 peak 1493 volume 0.18233E-02 ppm1 2.054 ppm2 1.408  
   OR  {1493} 11 HB1 11 HG1  
   ORs {1493} 7 HG2% 11 HB2  
   OR  {1523} 67 HB1 77 HD2%   
 ASSI  {23} 11 HE 11 HG2 3.300 1.400 1.400 peak 23 volume 0.81281E-03 ppm1 7.314 ppm2 1.146  
   OR  {23} 11 HE 15 HG2%   
 ASSI  {3014} 11 HA 11 HG2 2.800 0.900 0.900 peak 3014 volume 0.42502E-02 ppm1 3.525 ppm2 1.146  
   OR  {3014} 11 HA 15 HG2%  
   ORs {3014} 10 HD2% 11 HA   
 ASSI  {3018} 11 HA 11 HG1 2.600 0.800 0.800 peak 3018 volume 0.30635E-02 ppm1 3.526 ppm2 1.416  
   OR  {3018} 11 HA 14 HB2   
 ASSI  {631} 11 HN 11 HG1 4.100 2.100 1.900 peak 631 volume 0.10202E-02 ppm1 8.843 ppm2 1.402  
   ORs {631} 7 HG2% 11 HN  
   OR  {633} 64 HG2% 67 HB1   
 ASSI  {637} 11 HN 11 HG2 4.000 2.000 2.000 peak 637 volume 0.13104E-02 ppm1 8.842 ppm2 1.145  
   ORs {637} 10 HD2% 11 HN  
   OR  {638} 11 HN 74 HD1%   
 ASSI  {1460} 12 HB1 12 HA 2.500 0.800 0.800 peak 1460 volume 0.51679E-02 ppm1 2.040 ppm2 4.041  
   OR  {1460} 11 HB1 12 HA  
   OR  {1460} 12 HB2 12 HA   
 ASSI  {2294} 12 HD2 12 HB1 2.600 0.900 0.900 peak 2294 volume 0.44537E-02 ppm1 3.320 ppm2 2.030  
   OR  {2294} 12 HD2 12 HB2  
   OR  {2294} 51 HD2 51 HB2   
 ASSI  {2295} 12 HD1 12 HG1 2.600 0.800 0.800 peak 2295 volume 0.43249E-02 ppm1 3.374 ppm2 1.938  
   OR  {2295} 34 HD2 34 HG1   
 ASSI  {2959} 12 HA 12 HG2 2.900 1.100 1.100 peak 2959 volume 0.30248E-02 ppm1 4.040 ppm2 1.704  
   OR  {2959} 12 HA 13 HB%  
   OR  {2960} 12 HA 14 HB2   
 ASSI  {357} 12 HN 12 HG2 3.900 2.000 2.000 peak 357 volume 0.13023E-02 ppm1 7.989 ppm2 1.698   
 ASSI  {297} 13 HB% 13 HA 2.300 0.600 0.600 peak 297 volume 0.96595E-02 ppm1 1.680 ppm2 4.412  
   OR  {297} 13 HB% 48 HB   
 ASSI  {1111} 14 HG 14 HN 3.100 1.200 1.200 peak 1111 volume 0.23457E-02 ppm1 1.895 ppm2 8.422  
   OR  {1111} 10 HG 14 HN   
 ASSI  {1137} 14 HG 14 HA 3.500 1.500 1.500 peak 1137 volume 0.93733E-03 ppm1 1.895 ppm2 4.417  
   OR  {1137} 14 HG 48 HB  
   ORs {1137} 13 HA 14 HG   
 ASSI  {1180} 14 HG 14 HD1% 2.600 0.900 0.900 peak 1180 volume 0.31240E-02 ppm1 1.897 ppm2 0.780  
   OR  {1180} 10 HG 75 HD1%   
 ASSI  {2086} 14 HB1 14 HD1% 2.800 1.000 1.000 peak 2086 volume 0.33368E-02 ppm1 2.006 ppm2 0.793  
   OR  {2086} 14 HB1 26 HD2%   
 ASSI  {2101} 14 HB2 14 HD1% 2.700 0.900 0.900 peak 2101 volume 0.35806E-02 ppm1 1.431 ppm2 0.786  
   OR  {2101} 14 HB2 26 HD2%   
 ASSI  {2133} 14 HB2 14 HA 3.100 1.200 1.200 peak 2133 volume 0.21274E-02 ppm1 1.434 ppm2 4.418  
   ORs {2133} 13 HA 14 HB2  
   OR  {2139} 10 HB1 75 HA   
 ASSI  {2191} 14 HB2 14 HD2% 2.900 1.000 1.000 peak 2191 volume 0.22095E-02 ppm1 1.427 ppm2 0.919  
   OR  {2191} 33 HB2 38 HD1%   
 ASSI  {569} 14 HN 14 HA 2.700 0.900 0.900 peak 569 volume 0.31818E-02 ppm1 8.421 ppm2 4.415  
   ORs {569} 13 HA 14 HN  
   OR  {57} 60 HD1% 65 HA   
 ASSI  {1383} 16 HB1 16 HA 2.700 0.900 0.900 peak 1383 volume 0.29064E-02 ppm1 2.277 ppm2 4.223  
   OR  {1383} 73 HB2 73 HA   
 ASSI  {1732} 16 HG1 16 HA 3.500 1.500 1.500 peak 1732 volume 0.19851E-02 ppm1 2.643 ppm2 4.228  
   OR  {1732} 73 HG1 73 HA  
   OR  {1733} 16 HG1 19 HA2   
 ASSI  {1741} 16 HG2 16 HB1 2.600 0.800 0.800 peak 1741 volume 0.60001E-02 ppm1 2.407 ppm2 2.274  
   ORs {1741} 15 HB 16 HG2  
   OR  {1744} 16 HG2 51 HB2   
 ASSI  {2883} 16 HA 16 HN 2.600 0.800 0.800 peak 2883 volume 0.44864E-02 ppm1 4.214 ppm2 8.242  
   OR  {2883} 16 HA 19 HN  
   OR  {2884} 16 HA 20 HN   
 ASSI  {2969} 17 HA 17 HN 2.600 0.800 0.800 peak 2969 volume 0.47082E-02 ppm1 4.580 ppm2 7.811  
   OR  {2969} 17 HA 18 HN   
 ASSI  {3205} 17 HB1 17 HN 2.700 0.900 0.900 peak 3205 volume 0.31885E-02 ppm1 4.153 ppm2 7.812  
   OR  {3205} 17 HB1 18 HN   
 ASSI  {3206} 17 HB2 17 HN 2.700 0.900 0.900 peak 3206 volume 0.36211E-02 ppm1 4.070 ppm2 7.811  
   OR  {3206} 17 HB2 18 HN  
   OR  {3212} 17 HB1 47 HN  
   OR  {3212} 17 HB1 52 HN   
 ASSI  {2506} 18 HA 18 HN 2.900 1.000 1.000 peak 2506 volume 0.30484E-02 ppm1 4.358 ppm2 7.811  
   ORs {2506} 17 HN 18 HA  
   OR  {251} 17 HN 19 HN   
 ASSI  {357} 18 HB% 18 HN 2.400 0.700 0.700 peak 357 volume 0.82113E-02 ppm1 1.553 ppm2 7.811  
   OR  {357} 12 HN 13 HB%  
   ORs {357} 17 HN 18 HB%   
 ASSI  {749} 20 HN 20 HG2 3.400 1.400 1.400 peak 749 volume 0.19009E-02 ppm1 8.504 ppm2 2.405  
   OR  {749} 15 HN 16 HG2  
   OR  {749} 20 HN 20 HG1   
 ASSI  {1973} 22 HB2 22 HN 2.700 0.900 0.900 peak 1973 volume 0.46067E-02 ppm1 2.842 ppm2 8.499  
   OR  {1973} 22 HB1 22 HN  
   OR  {1973} 22 HB1 23 HN  
   OR  {1973} 22 HB2 23 HN   
 ASSI  {1100} 26 HD2% 26 HN 2.800 1.000 1.000 peak 1100 volume 0.11393E-02 ppm1 0.813 ppm2 8.477  
   OR  {1100} 26 HD2% 35 HN  
   ORs {1100} 15 HN 26 HD2%   
 ASSI  {702} 26 HD1% 26 HB1 3.300 1.400 1.400 peak 702 volume 0.26275E-02 ppm1 0.711 ppm2 1.440  
   OR  {702} 26 HD1% 33 HB2   
 ASSI  {998} 26 HD2% 26 HB1 2.500 0.800 0.800 peak 998 volume 0.50132E-02 ppm1 0.812 ppm2 1.447   
 ASSI  {1945} 30 HB1 30 HN 3.100 1.200 1.200 peak 1945 volume 0.12453E-02 ppm1 3.302 ppm2 8.071  
   OR  {1945} 30 HB1 32 HN   
 ASSI  {1948} 30 HB1 30 HE% 4.800 2.900 1.200 peak 1948 volume 0.48458E-03 ppm1 3.301 ppm2 7.215  
   OR  {1948} 30 HB1 33 HN   
 ASSI  {3494} 30 HE% 30 HB1 4.600 2.700 1.400 peak 3494 volume 0.60701E-03 ppm1 7.222 ppm2 3.301  
   OR  {3494} 30 HE% 30 HB1  
   OR  {3494} 30 HE% 31 HA  
   OR  {3494} 30 HE% 31 HA   
 ASSI  {893} 30 HN 30 HB1 3.200 1.300 1.300 peak 893 volume 0.11422E-02 ppm1 8.065 ppm2 3.303   
 ASSI  {901} 30 HN 30 HE% 4.300 2.300 1.700 peak 901 volume 0.66439E-03 ppm1 8.068 ppm2 7.227  
   OR  {901} 30 HN 33 HN   
 ASSI  {2815} 31 HA 31 HB1 2.400 0.700 0.700 peak 2815 volume 0.24601E-02 ppm1 3.308 ppm2 1.647  
   OR  {2815} 31 HA 72 HB2   
 ASSI  {559} 31 HN 31 HA 2.600 0.800 0.800 peak 559 volume 0.29597E-02 ppm1 7.537 ppm2 3.308   
 ASSI  {913} 31 HD2% 31 HB1 2.500 0.800 0.800 peak 913 volume 0.44264E-02 ppm1 0.792 ppm2 1.646  
   OR  {913} 31 HD2% 72 HB2   
 ASSI  {1128} 33 HG 33 HN 3.000 1.200 1.200 peak 1128 volume 0.23104E-02 ppm1 1.795 ppm2 7.225  
   OR  {1128} 67 HG1 68 HN  
   OR  {1128} 67 HG2 68 HN   
 ASSI  {2557} 33 HA 33 HD2% 3.100 1.200 1.200 peak 2557 volume 0.20204E-02 ppm1 4.313 ppm2 1.086  
   OR  {2557} 33 HA 38 HG2%  
   OR  {2562} 33 HA 69 HB1   
 ASSI  {840} 33 HN 33 HD2% 3.300 1.400 1.400 peak 840 volume 0.22539E-02 ppm1 7.226 ppm2 1.082  
   OR  {840} 31 HD1% 75 HB1  
   OR  {840} 33 HN 38 HG2%   
 ASSI  {1308} 34 HG2 34 HN 3.700 1.800 1.800 peak 1308 volume 0.10876E-02 ppm1 1.625 ppm2 8.482  
   OR  {1308} 34 HG2 35 HN   
 ASSI  {1389} 34 HB1 34 HD2 3.600 1.700 1.700 peak 1389 volume 0.72993E-03 ppm1 2.166 ppm2 3.351  
   OR  {1389} 16 HB2 51 HD2   
 ASSI  {1408} 34 HB2 34 HE 3.700 1.700 1.700 peak 1408 volume 0.38631E-03 ppm1 1.867 ppm2 8.057  
   ORs {1408} 32 HN 72 HB1   
 ASSI  {2286} 34 HD1 34 HG1 2.600 0.900 0.900 peak 2286 volume 0.32101E-02 ppm1 3.455 ppm2 1.978  
   OR  {2286} 51 HD1 51 HG1   
 ASSI  {3540} 35 HE% 35 HA 4.100 2.100 1.900 peak 3540 volume 0.70127E-03 ppm1 6.937 ppm2 4.397  
   OR  {3540} 35 HE% 35 HA  
   ORs {3540} 14 HA 35 HE%   
 ASSI  {1395} 36 HB2 36 HG1 2.300 0.600 0.600 peak 1395 volume 0.10132E-01 ppm1 2.138 ppm2 2.489  
   OR  {1395} 36 HB2 36 HG2  
   OR  {1395} 84 HB2 84 HG1   
 ASSI  {1697} 36 HG2 36 HB1 2.000 0.500 0.500 peak 1697 volume 0.20848E-01 ppm1 2.487 ppm2 2.275  
   OR  {1697} 36 HG1 36 HB1  
   OR  {1697} 84 HG1 84 HB1  
   OR  {1706} 47 HG1 52 HD2%  
   OR  {1706} 47 HG1 60 HG2%  
   OR  {1706} 47 HG1 74 HD1%  
   OR  {1706} 47 HG1 74 HD2%   
 ASSI  {1174} 38 HG12 38 HG2% 2.700 0.900 0.900 peak 1174 volume 0.27235E-02 ppm1 1.572 ppm2 1.081  
   OR  {1174} 5 HG 52 HD2%   
 ASSI  {1175} 38 HG12 38 HD1% 2.500 0.800 0.800 peak 1175 volume 0.40265E-02 ppm1 1.572 ppm2 0.892  
   OR  {1175} 5 HG 52 HD1%  
   OR  {1175} 5 HG 78 HG2%   
 ASSI  {1179} 38 HG11 38 HD1% 2.300 0.600 0.600 peak 1179 volume 0.57601E-02 ppm1 1.835 ppm2 0.893  
   ORs {1179} 4 HD1% 82 HG  
   ORs {1179} 78 HG2% 82 HG   
 ASSI  {1181} 38 HG11 38 HG2% 3.600 1.600 1.600 peak 1181 volume 0.16366E-02 ppm1 1.833 ppm2 1.079  
   ORs {1181} 74 HD2% 77 HG   
 ASSI  {1189} 38 HG11 38 HG12 1.600 0.300 0.600 peak 1189 volume 0.13763E-01 ppm1 1.834 ppm2 1.572  
   OR  {1189} 82 HG 82 HB2   
 ASSI  {1218} 38 HG12 38 HN 2.200 0.600 0.600 peak 1218 volume 0.27176E-02 ppm1 1.571 ppm2 7.731  
   OR  {1218} 38 HG12 39 HN   
 ASSI  {1840} 38 HB 38 HN 3.600 1.700 1.700 peak 1840 volume 0.12538E-02 ppm1 2.474 ppm2 7.733  
   OR  {1840} 38 HB 39 HN  
   OR  {1846} 38 HB 39 HA1   
 ASSI  {278} 38 HG2% 38 HN 2.900 1.100 1.100 peak 278 volume 0.18825E-02 ppm1 1.080 ppm2 7.731  
   OR  {278} 38 HG2% 39 HN  
   OR  {278} 42 HN 44 HN   
 ASSI  {3053} 38 HA 38 HN 2.500 0.800 0.800 peak 3053 volume 0.42641E-02 ppm1 4.679 ppm2 7.734  
   OR  {3053} 38 HA 39 HN   
 ASSI  {37} 38 HD1% 38 HN 4.300 2.300 1.700 peak 37 volume 0.13744E-02 ppm1 0.893 ppm2 7.731  
   OR  {37} 38 HD1% 39 HN   
 ASSI  {2420} 39 HA1 39 HN 2.900 1.000 1.000 peak 2420 volume 0.48494E-02 ppm1 4.267 ppm2 7.736  
   ORs {2420} 38 HN 39 HA1   
 ASSI  {2421} 39 HA2 39 HN 2.300 0.700 0.700 peak 2421 volume 0.61548E-02 ppm1 3.898 ppm2 7.736  
   ORs {2421} 38 HN 39 HA2  
   OR  {2433} 80 HA1 82 HD1%  
   OR  {2433} 80 HA1 82 HD2%  
   OR  {2433} 80 HA2 82 HD1%  
   OR  {2433} 80 HA2 82 HD2%   
 ASSI  {1949} 40 HB1 40 HN 2.900 1.100 1.100 peak 1949 volume 0.48964E-02 ppm1 3.011 ppm2 8.075  
   OR  {1949} 30 HB2 30 HN   
 ASSI  {2851} 40 HA 40 HB2 2.600 0.800 0.800 peak 2851 volume 0.48130E-02 ppm1 4.586 ppm2 2.821  
   OR  {2851} 40 HA 41 HB2   
 ASSI  {3411} 40 HE% 40 HA 4.200 2.200 1.800 peak 3411 volume 0.55913E-03 ppm1 6.737 ppm2 4.581  
   ORs {3411} 17 HA 40 HE%  
   OR  {3417} 40 HE% 48 HB   
 ASSI  {3428} 40 HE% 40 HN 4.600 2.700 1.400 peak 3428 volume 0.44904E-03 ppm1 6.737 ppm2 8.091  
   OR  {3428} 40 HE% 44 HN   
 ASSI  {3579} 40 HD% 40 HN 3.400 1.400 1.400 peak 3579 volume 0.16992E-02 ppm1 6.978 ppm2 8.076  
   OR  {3579} 40 HD% 40 HN  
   OR  {3579} 40 HD% 44 HN   
 ASSI  {1042} 41 HN 41 HB2 2.600 0.900 0.900 peak 1042 volume 0.31251E-02 ppm1 8.041 ppm2 2.831   
 ASSI  {2172} 41 HB2 41 HN 2.600 0.900 0.900 peak 2172 volume 0.25750E-02 ppm1 2.836 ppm2 8.044  
   OR  {2172} 41 HB2 44 HN   
 ASSI  {2174} 41 HB1 41 HN 3.600 1.600 1.600 peak 2174 volume 0.21117E-02 ppm1 3.210 ppm2 8.043  
   OR  {2174} 41 HB1 44 HN   
 ASSI  {2505} 41 HA 41 HN 2.900 1.100 1.100 peak 2505 volume 0.22209E-02 ppm1 4.732 ppm2 8.043  
   OR  {2505} 41 HA 44 HN   
 ASSI  {2844} 43 HA 43 HD1% 2.500 0.800 0.800 peak 2844 volume 0.79806E-02 ppm1 4.283 ppm2 0.977  
   OR  {2844} 77 HA 77 HD1%  
   OR  {2844} 77 HA 77 HD2%   
 ASSI  {2595} 44 HA 44 HN 2.700 0.900 0.900 peak 2595 volume 0.35992E-02 ppm1 4.335 ppm2 8.064  
   ORs {2595} 41 HN 44 HA   
 ASSI  {265} 44 HB% 44 HN 2.100 0.600 0.600 peak 265 volume 0.11820E-01 ppm1 1.529 ppm2 8.060  
   ORs {265} 41 HN 44 HB%  
   OR  {266} 17 HN 52 HD2%   
 ASSI  {1115} 45 HG 45 HN 3.600 1.600 1.600 peak 1115 volume 0.22056E-02 ppm1 1.368 ppm2 8.426  
   OR  {1115} 45 HG 47 HN   
 ASSI  {2059} 45 HB1 45 HA 3.000 1.100 1.100 peak 2059 volume 0.24454E-02 ppm1 1.658 ppm2 3.912  
   OR  {2059} 45 HB1 66 HA2   
 ASSI  {2060} 45 HB2 45 HA 2.700 0.900 0.900 peak 2060 volume 0.19570E-02 ppm1 1.561 ppm2 3.907  
   OR  {2060} 10 HB2 75 HA  
   ORs {2060} 7 HA 10 HB2   
 ASSI  {2832} 45 HA 45 HG 3.200 1.300 1.300 peak 2832 volume 0.14929E-02 ppm1 3.906 ppm2 1.362  
   ORs {2832} 5 HB2 75 HA   
 ASSI  {2861} 45 HA 45 HN 2.600 0.800 0.800 peak 2861 volume 0.35052E-02 ppm1 3.909 ppm2 8.425  
   OR  {2861} 45 HA 47 HN   
 ASSI  {804} 45 HN 45 HB2 2.300 0.700 0.700 peak 804 volume 0.64424E-02 ppm1 8.425 ppm2 1.545  
   ORs {804} 44 HB% 45 HN   
 ASSI  {805} 45 HD1% 45 HN 4.300 2.300 1.700 peak 805 volume 0.10113E-02 ppm1 0.211 ppm2 8.430  
   OR  {805} 45 HD1% 47 HN   
 ASSI  {831} 45 HD2% 45 HA 2.800 1.000 1.000 peak 831 volume 0.33553E-02 ppm1 0.393 ppm2 3.916  
   OR  {831} 45 HD2% 66 HA2   
 ASSI  {1535} 46 HB2 46 HG2 3.100 1.200 1.200 peak 1535 volume 0.32352E-02 ppm1 2.263 ppm2 2.764  
   OR  {1535} 71 HB1 71 HD2   
 ASSI  {1536} 46 HB1 46 HA 2.600 0.800 0.800 peak 1536 volume 0.33578E-02 ppm1 2.376 ppm2 4.262  
   OR  {1536} 46 HB1 47 HA   
 ASSI  {1537} 46 HB2 46 HA 3.000 1.100 1.100 peak 1537 volume 0.29870E-02 ppm1 2.264 ppm2 4.263  
   OR  {1537} 46 HB2 47 HA   
 ASSI  {1565} 46 HG1 46 HA 3.000 1.200 1.200 peak 1565 volume 0.26704E-02 ppm1 2.881 ppm2 4.262  
   ORs {1565} 43 HA 46 HG1  
   OR  {1571} 46 HG1 66 HA2   
 ASSI  {2885} 46 HA 46 HN 2.500 0.800 0.800 peak 2885 volume 0.46372E-02 ppm1 4.261 ppm2 8.345  
   OR  {2885} 46 HA 48 HN   
 ASSI  {2917} 46 HA 46 HG2 2.600 0.800 0.800 peak 2917 volume 0.32604E-02 ppm1 4.246 ppm2 2.781  
   OR  {2917} 73 HA 76 HB1   
 ASSI  {2920} 46 HA 46 HB2 2.700 0.900 0.900 peak 2920 volume 0.61889E-02 ppm1 4.244 ppm2 2.289  
   OR  {2920} 73 HA 73 HB2   
 ASSI  {588} 46 HN 46 HA 2.600 0.800 0.800 peak 588 volume 0.45430E-02 ppm1 8.345 ppm2 4.265  
   ORs {588} 43 HA 46 HN   
 ASSI  {2940} 47 HA 47 HN 2.500 0.800 0.800 peak 2940 volume 0.52983E-02 ppm1 4.257 ppm2 8.422  
   OR  {2940} 51 HA 52 HN   
 ASSI  {2948} 47 HA 47 HB1 2.800 1.000 1.000 peak 2948 volume 0.53587E-02 ppm1 4.258 ppm2 2.350  
   ORs {2948} 46 HB1 47 HA   
 ASSI  {2949} 47 HA 47 HB2 2.100 0.600 0.600 peak 2949 volume 0.92906E-02 ppm1 4.257 ppm2 2.220  
   OR  {2949} 51 HA 51 HB1   
 ASSI  {800} 47 HN 47 HB1 2.500 0.800 0.800 peak 800 volume 0.60453E-02 ppm1 8.417 ppm2 2.354  
   ORs {800} 46 HB1 47 HN   
 ASSI  {802} 47 HN 47 HA 2.800 1.000 1.000 peak 802 volume 0.27341E-02 ppm1 8.416 ppm2 4.263   
 ASSI  {334} 48 HG2% 48 HA 2.400 0.700 0.700 peak 334 volume 0.69772E-02 ppm1 1.137 ppm2 3.960  
   OR  {334} 48 HG2% 49 HA   
 ASSI  {335} 48 HG2% 48 HB 2.200 0.600 0.600 peak 335 volume 0.95884E-02 ppm1 1.137 ppm2 4.428  
   ORs {335} 13 HA 48 HG2%  
   ORs {335} 14 HA 48 HG2%   
 ASSI  {548} 48 HN 48 HA 2.900 1.000 1.000 peak 548 volume 0.26534E-02 ppm1 8.332 ppm2 3.958  
   OR  {548} 48 HN 49 HA  
   OR  {548} 68 HG2% 70 HB   
 ASSI  {993} 49 HN 49 HA 2.600 0.800 0.800 peak 993 volume 0.40401E-02 ppm1 8.756 ppm2 3.963  
   ORs {993} 48 HA 49 HN   
 ASSI  {250} 50 HB% 50 HA 2.000 0.500 0.500 peak 250 volume 0.17645E-01 ppm1 1.668 ppm2 4.274  
   ORs {250} 47 HA 50 HB%   
 ASSI  {657} 50 HN 50 HA 2.500 0.800 0.800 peak 657 volume 0.55217E-02 ppm1 8.191 ppm2 4.272  
   ORs {657} 46 HA 50 HN  
   ORs {657} 47 HA 50 HN   
 ASSI  {1283} 51 HG1 51 HA 3.500 1.500 1.500 peak 1283 volume 0.14056E-02 ppm1 1.993 ppm2 4.256  
   ORs {1283} 50 HA 51 HG1   
 ASSI  {2285} 51 HD1 51 HB1 3.000 1.100 1.100 peak 2285 volume 0.20183E-02 ppm1 3.456 ppm2 2.185  
   OR  {2285} 34 HD1 34 HB1   
 ASSI  {2942} 51 HA 51 HN 2.500 0.800 0.800 peak 2942 volume 0.54005E-02 ppm1 4.257 ppm2 8.162  
   OR  {2942} 47 HA 50 HN  
   OR  {2942} 47 HA 51 HN   
 ASSI  {658} 51 HN 51 HA 2.600 0.900 0.900 peak 658 volume 0.43087E-02 ppm1 8.149 ppm2 4.263  
   ORs {658} 50 HA 51 HN   
 ASSI  {1031} 52 HD1% 52 HB1 2.200 0.600 0.600 peak 1031 volume 0.89344E-02 ppm1 0.884 ppm2 2.220   
 ASSI  {2200} 52 HB2 52 HD1% 2.500 0.800 0.800 peak 2200 volume 0.45011E-02 ppm1 1.459 ppm2 0.872  
   OR  {2200} 52 HB2 60 HD1%   
 ASSI  {2201} 52 HB2 52 HD2% 3.100 1.200 1.200 peak 2201 volume 0.36834E-02 ppm1 1.452 ppm2 1.056  
   ORs {2201} 10 HD1% 52 HB2   
 ASSI  {2204} 52 HB1 52 HD2% 2.900 1.100 1.100 peak 2204 volume 0.18158E-02 ppm1 2.226 ppm2 1.057  
   ORs {2204} 10 HD1% 52 HB1  
   ORs {2204} 10 HD1% 75 HB1  
   ORs {2204} 74 HD1% 75 HB1   
 ASSI  {2838} 52 HA 52 HD1% 3.700 1.700 1.700 peak 2838 volume 0.18021E-02 ppm1 4.328 ppm2 0.868  
   OR  {2838} 52 HA 60 HD1%  
   OR  {2838} 52 HA 78 HG2%  
   OR  {2838} 74 HA 78 HG2%   
 ASSI  {2839} 52 HA 52 HB1 2.600 0.800 0.800 peak 2839 volume 0.22619E-02 ppm1 4.328 ppm2 2.225  
   ORs {2839} 51 HB1 52 HA   
 ASSI  {681} 52 HD2% 52 HD1% 2.100 0.500 0.500 peak 681 volume 0.14987E-01 ppm1 1.055 ppm2 0.869  
   OR  {681} 10 HD1% 52 HD1%  
   OR  {681} 52 HD2% 78 HG2%   
 ASSI  {721} 52 HD2% 52 HB1 2.600 0.800 0.800 peak 721 volume 0.39022E-02 ppm1 1.054 ppm2 2.234  
   OR  {721} 10 HD1% 71 HB1  
   OR  {721} 10 HD1% 75 HB1   
 ASSI  {722} 52 HD2% 52 HG 2.300 0.700 0.700 peak 722 volume 0.57353E-02 ppm1 1.054 ppm2 2.050  
   OR  {722} 10 HD1% 52 HG   
 ASSI  {728} 52 HN 52 HD1% 4.000 2.000 2.000 peak 728 volume 0.11734E-02 ppm1 8.435 ppm2 0.874   
 ASSI  {734} 52 HN 52 HB1 3.100 1.200 1.200 peak 734 volume 0.49451E-02 ppm1 8.435 ppm2 2.222  
   ORs {734} 51 HB1 52 HN   
 ASSI  {735} 52 HN 52 HG 2.300 0.700 0.700 peak 735 volume 0.54190E-02 ppm1 8.435 ppm2 2.058  
   OR  {735} 45 HD1% 71 HD2   
 ASSI  {802} 52 HD2% 52 HN 3.300 1.400 1.400 peak 802 volume 0.20698E-02 ppm1 1.054 ppm2 8.436  
   OR  {802} 10 HD1% 14 HN  
   ORs {802} 46 HA 47 HN   
 ASSI  {1358} 53 HB1 53 HA 2.600 0.900 0.900 peak 1358 volume 0.26633E-02 ppm1 2.519 ppm2 4.109  
   OR  {1358} 53 HB1 54 HB2  
   OR  {1358} 53 HB1 57 HA2   
 ASSI  {1359} 53 HB2 53 HA 3.100 1.200 1.200 peak 1359 volume 0.21230E-02 ppm1 2.378 ppm2 4.108  
   OR  {1359} 53 HB2 54 HB1  
   OR  {1359} 53 HB2 54 HB2   
 ASSI  {1656} 53 HG1 53 HA 3.000 1.100 1.100 peak 1656 volume 0.22355E-02 ppm1 2.748 ppm2 4.105  
   OR  {1656} 53 HG1 54 HB2   
 ASSI  {611} 53 HN 53 HA 2.800 1.000 1.000 peak 611 volume 0.31367E-02 ppm1 8.991 ppm2 4.108  
   OR  {611} 53 HN 54 HB1  
   OR  {611} 53 HN 54 HB2   
 ASSI  {223} 54 HN 54 HB1 2.400 0.700 0.700 peak 223 volume 0.63066E-02 ppm1 8.030 ppm2 4.123  
   OR  {223} 54 HN 54 HB2  
   ORs {223} 53 HA 54 HN   
 ASSI  {3035} 54 HA 54 HB1 2.100 0.500 0.500 peak 3035 volume 0.20395E-01 ppm1 4.394 ppm2 4.127  
   OR  {3035} 54 HA 54 HB2  
   OR  {3035} 54 HA 57 HA2   
 ASSI  {1152} 55 HG1 55 HB2 2.200 0.600 0.600 peak 1152 volume 0.59606E-02 ppm1 1.372 ppm2 1.641  
   OR  {1152} 45 HG 45 HB1   
 ASSI  {1436} 55 HB2 55 HD2 3.100 1.200 1.200 peak 1436 volume 0.13686E-02 ppm1 1.621 ppm2 3.030  
   OR  {1436} 72 HB2 72 HD2   
 ASSI  {759} 55 HN 55 HA 2.500 0.800 0.800 peak 759 volume 0.63095E-02 ppm1 8.072 ppm2 4.117  
   ORs {759} 7 HA 10 HD1%  
   ORs {759} 53 HA 55 HN  
   ORs {759} 54 HB1 55 HN  
   ORs {759} 54 HB2 55 HN   
 ASSI  {161} 57 HN 57 HA1 2.200 0.600 0.600 peak 161 volume 0.11499E-01 ppm1 8.000 ppm2 4.107  
   OR  {161} 57 HN 57 HA2  
   ORs {161} 53 HA 57 HN   
 ASSI  {2912} 58 HA 58 HG2% 2.600 0.800 0.800 peak 2912 volume 0.61898E-02 ppm1 4.692 ppm2 0.977  
   OR  {2912} 56 HA 82 HD2%  
   ORs {2912} 55 HG2 56 HA  
   OR  {2913} 47 HA 48 HG2%   
 ASSI  {33} 60 HD1% 60 HN 2.800 2.800 3.200 peak 33 volume 0.10940E-02 ppm1 0.850 ppm2 8.238  
   OR  {33} 60 HD1% 65 HN   
 ASSI  {998} 62 HN 62 HB2 2.800 1.000 1.000 peak 998 volume 0.34301E-02 ppm1 8.856 ppm2 2.753  
   OR  {998} 62 HN 63 HB2  
   ORs {998} 14 HB2 26 HD2%  
 ASSI  {1870} 63 HB2 63 HN 2.600 0.900 0.900 peak 1870 volume 0.41049E-02 ppm1 2.789 ppm2 8.700  
   OR  {1870} 63 HB1 63 HN  
   OR  {1870} 76 HB1 76 HN   
 ASSI  {1876} 63 HB1 63 HA 2.500 0.800 0.800 peak 1876 volume 0.86419E-02 ppm1 2.788 ppm2 4.505  
   OR  {1876} 63 HB2 63 HA  
   OR  {1876} 76 HB1 76 HA   
 ASSI  {414} 63 HN 63 HB2 2.600 0.800 0.800 peak 414 volume 0.50297E-02 ppm1 8.691 ppm2 2.772  
   OR  {414} 63 HN 63 HB1  
   ORs {414} 62 HB2 63 HN  
   OR  {420} 68 HG1% 70 HN   
 ASSI  {3225} 64 HA 64 HN 2.600 0.800 0.800 peak 3225 volume 0.37937E-02 ppm1 3.789 ppm2 7.391  
   OR  {3225} 64 HA 67 HE   
 ASSI  {391} 64 HG1% 64 HA 2.500 0.800 0.800 peak 391 volume 0.42803E-02 ppm1 0.993 ppm2 3.792  
   OR  {391} 58 HG2% 59 HB1  
   OR  {392} 70 HG2% 72 HD2   
 ASSI  {591} 64 HN 64 HG1% 3.700 1.700 1.700 peak 591 volume 0.24520E-02 ppm1 7.392 ppm2 0.991  
   OR  {591} 64 HN 77 HD2%  
   OR  {603} 70 HG2% 74 HA   
 ASSI  {1191} 67 HG1 67 HB2 2.100 0.500 0.500 peak 1191 volume 0.14375E-01 ppm1 1.777 ppm2 1.903  
   OR  {1191} 43 HG 43 HB1  
   OR  {1191} 67 HG2 67 HB2   
 ASSI  {322} 68 HG2% 68 HB 2.100 0.500 0.500 peak 322 volume 0.10407E-01 ppm1 1.250 ppm2 2.430  
   OR  {322} 68 HG2% 74 HB1   
 ASSI  {728} 68 HG1% 68 HB 2.100 0.500 0.500 peak 728 volume 0.11154E-01 ppm1 1.158 ppm2 2.434  
   OR  {728} 52 HN 60 HD1%  
   OR  {728} 68 HG1% 74 HB1  
   OR  {729} 52 HN 60 HG12   
 ASSI  {2984} 72 HA 72 HH21 5.500 3.800 0.500 peak 2984 volume 0.29181E-03 ppm1 3.618 ppm2 6.909  
   OR  {2984} 72 HA 72 HH11  
   OR  {2984} 72 HA 72 HH12  
   OR  {2984} 72 HA 72 HH22  
   ORs {2984} 35 HZ 72 HA   
 ASSI  {3000} 72 HA 72 HG2 2.800 1.000 1.000 peak 3000 volume 0.50667E-02 ppm1 3.620 ppm2 1.535  
   OR  {3000} 72 HA 75 HB2   
 ASSI  {4} 72 HH11 72 HG1 4.000 2.000 2.000 peak 4 volume 0.63057E-03 ppm1 6.908 ppm2 1.661  
   OR  {4} 72 HH11 72 HG1  
   OR  {4} 72 HH11 72 HG1  
   OR  {4} 72 HH11 72 HG1  
   ORs {4} 31 HB1 72 HH11  
   ORs {4} 31 HB1 72 HH11  
   ORs {4} 31 HB1 72 HH11  
   ORs {4} 31 HB1 72 HH11  
   ORs {4} 31 HB1 72 HH21  
   ORs {4} 31 HB1 72 HH21  
   ORs {4} 31 HB1 72 HH21  
   ORs {4} 31 HB1 72 HH21   
 ASSI  {494} 72 HN 72 HB2 2.900 1.100 1.100 peak 494 volume 0.21626E-02 ppm1 9.001 ppm2 1.628  
   ORs {494} 31 HB1 72 HN   
 ASSI  {1418} 73 HB2 73 HN 2.800 1.000 1.000 peak 1418 volume 0.15995E-02 ppm1 2.287 ppm2 7.841  
   OR  {1418} 84 HB1 85 HN   
 ASSI  {1747} 73 HG1 73 HB2 2.400 0.700 0.700 peak 1747 volume 0.49295E-02 ppm1 2.638 ppm2 2.280  
   OR  {1747} 16 HG1 16 HB1  
   OR  {1750} 16 HG1 51 HB2   
 ASSI  {2919} 73 HA 73 HB1 2.400 0.700 0.700 peak 2919 volume 0.68059E-02 ppm1 4.247 ppm2 2.480  
   OR  {2919} 47 HA 47 HG2  
   OR  {2919} 73 HA 73 HG2   
 ASSI  {399} 73 HN 73 HA 2.700 0.900 0.900 peak 399 volume 0.32455E-02 ppm1 7.841 ppm2 4.248  
   ORs {399} 71 HA 73 HN   
 ASSI  {1022} 74 HG 74 HB2 2.200 0.600 0.600 peak 1022 volume 0.54623E-02 ppm1 0.995 ppm2 1.719  
   OR  {1022} 74 HG 78 HG11  
   OR  {1024} 49 HN 50 HA   
 ASSI  {2837} 74 HA 74 HD2% 1.900 0.500 0.500 peak 2837 volume 0.16403E-01 ppm1 4.328 ppm2 1.062  
   OR  {2837} 52 HA 52 HD2%  
   OR  {2837} 74 HA 74 HD1%   
 ASSI  {2840} 74 HA 74 HB2 2.300 0.600 0.600 peak 2840 volume 0.46832E-02 ppm1 4.325 ppm2 1.716  
   OR  {2840} 74 HA 78 HG11   
 ASSI  {2841} 74 HA 74 HB1 2.800 1.000 1.000 peak 2841 volume 0.29981E-02 ppm1 4.323 ppm2 2.435  
   ORs {2841} 68 HB 74 HA   
 ASSI  {712} 74 HN 74 HB1 2.400 0.700 0.700 peak 712 volume 0.51378E-02 ppm1 7.695 ppm2 2.438  
   ORs {712} 68 HB 74 HN   
 ASSI  {717} 74 HN 74 HG 4.200 2.200 1.800 peak 717 volume 0.11118E-02 ppm1 7.694 ppm2 0.985  
   OR  {717} 74 HN 77 HD1%  
   OR  {717} 74 HN 77 HD2%   
 ASSI  {1020} 75 HD2% 75 HG 1.900 0.500 0.500 peak 1020 volume 0.20091E-01 ppm1 0.890 ppm2 1.703  
   ORs {1020} 13 HB% 52 HD1%   
 ASSI  {1021} 75 HD2% 75 HB2 2.500 0.800 0.800 peak 1021 volume 0.65981E-02 ppm1 0.890 ppm2 1.555  
   ORs {1021} 5 HG 52 HD1%  
   ORs {1021} 49 HB% 52 HD1%   
 ASSI  {1050} 75 HD2% 75 HA 3.200 1.300 1.300 peak 1050 volume 0.28726E-02 ppm1 0.890 ppm2 3.896  
   OR  {1050} 81 HN 82 HD1%  
   OR  {1050} 81 HN 82 HD2%   
 ASSI  {1104} 75 HD2% 75 HN 3.900 1.900 1.900 peak 1104 volume 0.20332E-02 ppm1 0.890 ppm2 8.722  
   OR  {1104} 75 HD2% 76 HN   
 ASSI  {2088} 75 HB1 75 HB2 1.600 0.300 0.600 peak 2088 volume 0.11728E-01 ppm1 2.210 ppm2 1.551  
   ORs {2088} 49 HB% 52 HB1   
 ASSI  {2098} 75 HB2 75 HD2% 2.600 0.900 0.900 peak 2098 volume 0.34943E-02 ppm1 1.556 ppm2 0.891  
   ORs {2098} 4 HD1% 82 HB2  
   ORs {2098} 78 HG2% 82 HB2   
 ASSI  {2099} 75 HB2 75 HD1% 2.500 0.800 0.800 peak 2099 volume 0.35447E-02 ppm1 1.554 ppm2 0.810  
   ORs {2099} 31 HD2% 75 HB2   
 ASSI  {2159} 75 HB2 75 HN 2.400 0.700 0.700 peak 2159 volume 0.47627E-02 ppm1 1.553 ppm2 8.726  
   OR  {2159} 75 HB2 76 HN   
 ASSI  {2875} 75 HA 75 HN 2.600 0.800 0.800 peak 2875 volume 0.36921E-02 ppm1 3.905 ppm2 8.732  
   OR  {2875} 75 HA 76 HN   
 ASSI  {2899} 75 HA 75 HB2 2.100 0.600 0.600 peak 2899 volume 0.77616E-02 ppm1 3.906 ppm2 1.553  
   OR  {2899} 45 HA 45 HB2  
   ORs {2899} 44 HB% 45 HA  
   OR  {290} 68 HN 74 HG  
   OR  {290} 68 HN 77 HD2%   
 ASSI  {783} 75 HN 75 HD1% 4.000 2.000 2.000 peak 783 volume 0.11232E-02 ppm1 8.736 ppm2 0.806  
   OR  {783} 26 HD1% 35 HE%  
   OR  {783} 75 HN 78 HD1%  
   ORs {783} 31 HD2% 75 HN  
   OR  {784} 75 HN 75 HG   
 ASSI  {878} 75 HD1% 75 HB2 2.300 0.600 0.600 peak 878 volume 0.66852E-02 ppm1 0.806 ppm2 1.577  
   ORs {878} 5 HG 75 HD1%  
   ORs {878} 10 HB2 75 HD1%  
   OR  {879} 75 HD1% 78 HB   
 ASSI  {881} 75 HD1% 75 HB1 3.800 1.800 1.800 peak 881 volume 0.14330E-02 ppm1 0.807 ppm2 2.216  
   OR  {881} 31 HD2% 71 HG1   
 ASSI  {886} 75 HD1% 75 HA 2.200 0.600 0.600 peak 886 volume 0.70453E-02 ppm1 0.807 ppm2 3.899   
 ASSI  {1122} 77 HG 77 HN 3.800 1.800 1.800 peak 1122 volume 0.17481E-02 ppm1 1.838 ppm2 8.024  
   OR  {1122} 38 HG11 41 HN   
 ASSI  {1159} 77 HG 77 HB1 2.200 0.600 0.600 peak 1159 volume 0.72916E-02 ppm1 1.842 ppm2 2.045  
   OR  {1159} 82 HG 82 HB1   
 ASSI  {2259} 77 HB2 77 HA 2.600 0.800 0.800 peak 2259 volume 0.33331E-02 ppm1 1.919 ppm2 4.299  
   ORs {2259} 74 HA 77 HB2  
   OR  {226} 38 HN 40 HB1   
 ASSI  {2846} 77 HA 77 HB2 2.400 0.700 0.700 peak 2846 volume 0.60677E-02 ppm1 4.276 ppm2 1.913  
   OR  {2846} 43 HA 43 HB1   
 ASSI  {934} 77 HN 77 HD2% 4.000 2.000 2.000 peak 934 volume 0.14532E-02 ppm1 8.020 ppm2 0.972  
   OR  {934} 77 HN 77 HD1%  
   ORs {934} 64 HG1% 77 HN  
   OR  {942} 18 HN 19 HA1  
   OR  {942} 18 HN 19 HA2   
 ASSI  {1323} 78 HG11 78 HD1% 2.400 0.700 0.700 peak 1323 volume 0.43805E-02 ppm1 1.728 ppm2 0.832  
   ORs {1323} 60 HD1% 78 HG11   
 ASSI  {1328} 78 HG12 78 HD1% 2.300 0.700 0.700 peak 1328 volume 0.41879E-02 ppm1 1.305 ppm2 0.834  
   ORs {1328} 60 HD1% 78 HG12   
 ASSI  {1758} 78 HB 78 HG2% 2.600 0.900 0.900 peak 1758 volume 0.27056E-02 ppm1 1.961 ppm2 0.866  
   ORs {1758} 52 HD1% 78 HB  
   OR  {176} 80 HN 81 HA   
 ASSI  {3185} 78 HA 78 HG2% 2.300 0.700 0.700 peak 3185 volume 0.79563E-02 ppm1 3.757 ppm2 0.868  
   ORs {3185} 60 HD1% 78 HA  
   OR  {3188} 59 HB2 61 HG1  
   OR  {3188} 59 HB2 61 HG2   
 ASSI  {3194} 78 HA 78 HN 2.600 0.800 0.800 peak 3194 volume 0.37174E-02 ppm1 3.756 ppm2 8.284  
   OR  {3194} 78 HA 82 HN   
 ASSI  {693} 78 HN 78 HD1% 3.800 1.800 1.800 peak 693 volume 0.18822E-02 ppm1 8.284 ppm2 0.811  
   ORs {693} 75 HD1% 78 HN   
 ASSI  {1112} 82 HG 82 HN 3.000 1.100 1.100 peak 1112 volume 0.34273E-02 ppm1 1.853 ppm2 8.298  
   OR  {1112} 77 HG 78 HN  
   OR  {1114} 31 HG 32 HN   
 ASSI  {2202} 82 HB1 82 HD2% 2.400 0.700 0.700 peak 2202 volume 0.80546E-02 ppm1 2.033 ppm2 0.986  
   OR  {2202} 77 HB1 77 HD1%  
   OR  {2202} 77 HB1 77 HD2%  
   OR  {2202} 82 HB1 82 HD1%   
 ASSI  {2242} 82 HB1 82 HN 2.400 0.700 0.700 peak 2242 volume 0.41610E-02 ppm1 2.032 ppm2 8.298  
   OR  {2242} 77 HB1 78 HN   
 ASSI  {2693} 82 HA 82 HD1% 2.400 0.700 0.700 peak 2693 volume 0.72424E-02 ppm1 4.218 ppm2 0.995  
   OR  {2693} 82 HA 82 HD2%  
   ORs {2693} 58 HG2% 82 HA   
 ASSI  {868} 82 HD1% 82 HB2 2.600 0.800 0.800 peak 868 volume 0.58833E-02 ppm1 0.998 ppm2 1.574  
   OR  {868} 82 HD1% 85 HB%   
 ASSI  {970} 82 HD2% 82 HN 4.100 2.100 1.900 peak 970 volume 0.73933E-03 ppm1 0.988 ppm2 8.299  
   OR  {970} 74 HG 78 HN   
 ASSI  {979} 82 HD2% 82 HA 3.400 1.400 1.400 peak 979 volume 0.97928E-03 ppm1 0.989 ppm2 4.221  
   ORs {979} 71 HA 74 HG  
   OR  {980} 74 HG 79 HA   
 ASSI  {989} 82 HD2% 82 HB2 2.700 0.900 0.900 peak 989 volume 0.44002E-02 ppm1 0.989 ppm2 1.575  
   OR  {989} 82 HD2% 85 HB%   
 ASSI  {1430} 84 HB1 84 HA 2.700 0.900 0.900 peak 1430 volume 0.35559E-02 ppm1 2.282 ppm2 4.406  
   ORs {1430} 13 HA 16 HB1   
 ASSI  {1431} 84 HB2 84 HA 2.800 1.000 1.000 peak 1431 volume 0.31443E-02 ppm1 2.143 ppm2 4.400  
   ORs {1431} 13 HA 16 HB2   
 ASSI  {1441} 84 HB2 84 HB1 1.500 0.300 0.700 peak 1441 volume 0.36015E-01 ppm1 2.145 ppm2 2.280  
   OR  {1441} 16 HB2 16 HB1   
 ASSI  {1685} 84 HG1 84 HN 3.900 1.900 1.900 peak 1685 volume 0.83928E-03 ppm1 2.474 ppm2 7.747  
   OR  {1685} 36 HG1 39 HN  
   OR  {1685} 36 HG2 39 HN   
 ASSI  {1710} 84 HG1 84 HG2 1.400 0.300 0.800 peak 1710 volume 0.52526E-01 ppm1 2.465 ppm2 2.559  
   OR  {1710} 47 HG2 47 HG1   

!ARIA 1.2 NOR input file containing NOEs classed as on-ambiguous 

 ASSI  {719} 4 HD1% 78 HB 5.600 3.900 0.400 peak 719 volume 0.13266E-03 ppm1 0.896 ppm2 1.943   
 ASSIs {109} 4 HA 79 HD21 4.500 2.600 1.500 peak 109 volume 0.41928E-03 ppm1 4.384 ppm2 7.327   
 ASSIs {115} 4 HD2% 79 HD22 3.900 1.900 1.900 peak 115 volume 0.65159E-03 ppm1 0.973 ppm2 7.668   
 ASSIs {118} 4 HD2% 79 HD21 3.500 1.500 1.500 peak 118 volume 0.57791E-03 ppm1 0.973 ppm2 7.329   
 ASSI  {1216} 4 HG 79 HD22 3.900 1.900 1.900 peak 1216 volume 0.94045E-03 ppm1 1.724 ppm2 7.687   
 ASSIs {123} 4 HB2 79 HD21 4.200 2.200 1.800 peak 123 volume 0.10804E-02 ppm1 1.497 ppm2 7.328   
 ASSIs {127} 4 HB2 79 HD22 3.100 3.100 2.900 peak 127 volume 0.57986E-03 ppm1 1.507 ppm2 7.668   
 ASSI  {731} 4 HD1% 79 HB2 4.300 2.300 1.700 peak 731 volume 0.17550E-02 ppm1 0.897 ppm2 2.781   
 ASSI  {732} 4 HD1% 79 HB1 4.300 2.300 1.700 peak 732 volume 0.71120E-03 ppm1 0.899 ppm2 3.097   
 ASSI  {770} 4 HD1% 79 HA 3.200 1.300 1.300 peak 770 volume 0.17884E-02 ppm1 0.896 ppm2 4.918   
 ASSI  {718} 4 HD1% 82 HB1 2.800 1.000 1.000 peak 718 volume 0.18868E-02 ppm1 0.897 ppm2 2.025   
 ASSI  {720} 4 HD1% 82 HG 4.700 2.800 1.300 peak 720 volume 0.21263E-03 ppm1 0.897 ppm2 1.849   
 ASSI  {757} 4 HD1% 82 HA 5.000 3.100 1.000 peak 757 volume 0.19433E-03 ppm1 0.896 ppm2 4.199   
 ASSI  {822} 4 HD1% 82 HN 4.600 2.700 1.400 peak 822 volume 0.40759E-03 ppm1 0.895 ppm2 8.295   
 ASSIs {861} 4 HA 82 HD1% 3.500 1.600 1.600 peak 861 volume 0.62400E-03 ppm1 4.385 ppm2 0.998   
 ASSIs {978} 4 HA 82 HD2% 2.900 1.000 1.000 peak 978 volume 0.27846E-02 ppm1 4.386 ppm2 0.989   
 ASSIs {2521} 4 HD1% 83 HA 3.200 1.300 1.300 peak 2521 volume 0.11892E-02 ppm1 0.892 ppm2 4.297   
 ASSIs {826} 4 HD1% 83 HN 3.400 1.400 1.400 peak 826 volume 0.96541E-03 ppm1 0.894 ppm2 7.966   
 ASSIs {1254} 5 HD1% 10 HD2% 4.000 2.000 2.000 peak 1254 volume 0.75349E-03 ppm1 0.640 ppm2 1.136   
 ASSIs {2825} 5 HD1% 10 HA 3.200 1.300 1.300 peak 2825 volume 0.14780E-02 ppm1 0.666 ppm2 4.224  
   ORs {2825} 5 HD2% 10 HA   
 ASSIs {830} 5 HD2% 10 HN 3.700 1.700 1.700 peak 830 volume 0.11090E-02 ppm1 0.677 ppm2 8.099   
 ASSI  {916} 5 HD2% 10 HB1 5.200 3.300 0.800 peak 916 volume 0.35249E-03 ppm1 0.688 ppm2 2.354   
 ASSI  {951} 5 HD1% 10 HB1 4.700 2.800 1.300 peak 951 volume 0.51037E-03 ppm1 0.645 ppm2 2.354   
 ASSI  {960} 5 HD1% 10 HA 3.900 1.900 1.900 peak 960 volume 0.46925E-03 ppm1 0.642 ppm2 4.222   
 ASSI  {903} 5 HD2% 52 HD2% 2.500 0.800 0.800 peak 903 volume 0.43988E-02 ppm1 0.680 ppm2 1.039   
 ASSI  {918} 5 HD2% 52 HB1 4.700 2.800 1.300 peak 918 volume 0.21590E-03 ppm1 0.685 ppm2 2.204   
 ASSI  {947} 5 HD1% 52 HB2 5.000 3.100 1.000 peak 947 volume 0.36812E-03 ppm1 0.643 ppm2 1.465   
 ASSI  {954} 5 HD1% 52 HG 5.300 3.500 0.700 peak 954 volume 0.21432E-03 ppm1 0.643 ppm2 2.049   
 ASSI  {2606} 5 HA 56 HE% 5.200 3.300 0.800 peak 2606 volume 0.23134E-03 ppm1 4.536 ppm2 6.835   
 ASSIs {3386} 5 HD2% 56 HE% 2.700 0.900 0.900 peak 3386 volume 0.25848E-02 ppm1 0.668 ppm2 6.823   
 ASSIs {3416} 5 HA 56 HE% 4.300 2.300 1.700 peak 3416 volume 0.58414E-03 ppm1 4.549 ppm2 6.825  
   ORs {3416} 5 HA 56 HE%   
 ASSIs {3610} 5 HD2% 56 HD% 3.600 1.600 1.600 peak 3610 volume 0.10249E-02 ppm1 0.666 ppm2 7.449  
   ORs {3610} 5 HD1% 56 HD%  
   ORs {3610} 5 HD1% 56 HD%  
   ORs {3610} 5 HD2% 56 HD%   
 ASSI  {933} 5 HD2% 56 HD% 3.800 1.800 1.800 peak 933 volume 0.77149E-03 ppm1 0.683 ppm2 7.451   
 ASSI  {957} 5 HD1% 56 HB1 5.400 3.600 0.600 peak 957 volume 0.13936E-03 ppm1 0.651 ppm2 3.473   
 ASSI  {964} 5 HD1% 56 HD% 4.000 2.000 2.000 peak 964 volume 0.64570E-03 ppm1 0.643 ppm2 7.454   
 ASSI  {965} 5 HD1% 56 HE% 4.100 2.100 1.900 peak 965 volume 0.73801E-03 ppm1 0.642 ppm2 6.825   
 ASSIs {2908} 5 HD1% 75 HA 3.000 1.100 1.100 peak 2908 volume 0.18468E-02 ppm1 0.645 ppm2 3.905   
 ASSIs {887} 5 HA 75 HD1% 4.500 2.500 1.500 peak 887 volume 0.38935E-03 ppm1 4.535 ppm2 0.809   
 ASSIs {897} 5 HN 75 HD1% 4.000 2.000 2.000 peak 897 volume 0.48282E-03 ppm1 9.419 ppm2 0.805   
 ASSIs {1324} 5 HD1% 78 HG11 4.600 2.700 1.400 peak 1324 volume 0.36877E-03 ppm1 0.665 ppm2 1.731   
 ASSIs {1329} 5 HD1% 78 HG12 5.000 3.200 1.000 peak 1329 volume 0.28286E-03 ppm1 0.660 ppm2 1.305   
 ASSIs {208} 5 HN 78 HG2% 4.100 2.100 1.900 peak 208 volume 0.41064E-03 ppm1 9.423 ppm2 0.874   
 ASSIs {74} 5 HD2% 78 HD1% 2.500 2.500 3.500 peak 74 volume 0.18897E-02 ppm1 0.687 ppm2 0.803   
 ASSIs {75} 5 HD1% 78 HD1% 2.900 1.000 1.000 peak 75 volume 0.14441E-02 ppm1 0.618 ppm2 0.805   
 ASSI  {915} 5 HD2% 78 HB 4.700 2.800 1.300 peak 915 volume 0.45983E-03 ppm1 0.684 ppm2 1.941   
 ASSI  {955} 5 HD1% 78 HB 3.000 1.100 1.100 peak 955 volume 0.15569E-02 ppm1 0.643 ppm2 1.946   
 ASSIs {102} 5 HN 79 HD21 2.900 1.100 1.100 peak 102 volume 0.19144E-02 ppm1 9.421 ppm2 7.330   
 ASSI  {1074} 5 HN 79 HA 5.400 3.600 0.600 peak 1074 volume 0.22494E-03 ppm1 9.422 ppm2 4.924   
 ASSIs {124} 5 HB2 79 HD21 3.600 1.600 1.600 peak 124 volume 0.78137E-03 ppm1 1.332 ppm2 7.330   
 ASSIs {128} 5 HB2 79 HD22 3.400 1.400 1.400 peak 128 volume 0.47383E-03 ppm1 1.334 ppm2 7.667   
 ASSI  {2602} 5 HA 79 HD21 4.700 2.800 1.300 peak 2602 volume 0.42418E-03 ppm1 4.541 ppm2 7.335   
 ASSIs {492} 5 HD1% 79 HN 3.400 3.400 2.600 peak 492 volume 0.33921E-03 ppm1 0.648 ppm2 8.880   
 ASSI  {936} 5 HD2% 79 HD21 5.600 3.900 0.400 peak 936 volume 0.18021E-03 ppm1 0.681 ppm2 7.338   
 ASSIs {99} 5 HN 79 HD22 3.100 1.200 1.200 peak 99 volume 0.10642E-02 ppm1 9.419 ppm2 7.668   
 ASSI  {3299} 7 HA 30 HE% 3.900 1.900 1.900 peak 3299 volume 0.38218E-03 ppm1 3.879 ppm2 7.224   
 ASSI  {3329} 7 HB 30 HD% 4.700 2.800 1.300 peak 3329 volume 0.54891E-03 ppm1 4.340 ppm2 7.348  
   OR  {3329} 7 HB 30 HZ   
 ASSI  {3330} 7 HB 30 HE% 4.200 2.200 1.800 peak 3330 volume 0.64886E-03 ppm1 4.338 ppm2 7.216   
 ASSI  {795} 7 HG2% 30 HD% 3.000 1.100 1.100 peak 795 volume 0.30926E-02 ppm1 1.404 ppm2 7.342   
 ASSI  {796} 7 HG2% 30 HE% 2.600 0.800 0.800 peak 796 volume 0.40395E-02 ppm1 1.403 ppm2 7.223   
 ASSI  {3288} 7 HA 31 HD1% 3.600 1.600 1.600 peak 3288 volume 0.11553E-02 ppm1 3.879 ppm2 0.458   
 ASSI  {3343} 7 HB 31 HD1% 4.600 2.700 1.400 peak 3343 volume 0.48701E-03 ppm1 4.342 ppm2 0.460   
 ASSI  {671} 7 HG2% 31 HD1% 2.900 1.100 1.100 peak 671 volume 0.41306E-02 ppm1 1.402 ppm2 0.461   
 ASSIs {818} 7 HN 31 HD1% 4.600 2.600 1.400 peak 818 volume 0.22493E-03 ppm1 8.856 ppm2 0.452   
 ASSIs {912} 7 HG2% 31 HD2% 2.800 0.900 0.900 peak 912 volume 0.21974E-02 ppm1 1.400 ppm2 0.790   
 ASSI  {3285} 7 HA 75 HD2% 3.100 1.200 1.200 peak 3285 volume 0.17230E-02 ppm1 3.880 ppm2 0.894   
 ASSI  {353} 7 HN 75 HD2% 3.800 1.800 1.800 peak 353 volume 0.48375E-03 ppm1 8.851 ppm2 0.898   
 ASSI  {2029} 9 HB2 56 HE% 4.700 2.700 1.300 peak 2029 volume 0.36474E-03 ppm1 2.723 ppm2 6.828   
 ASSIs {883} 9 HB1 75 HD1% 3.400 1.400 1.400 peak 883 volume 0.33169E-03 ppm1 3.064 ppm2 0.811   
 ASSI  {1210} 10 HG 30 HZ 3.700 1.700 1.700 peak 1210 volume 0.38537E-03 ppm1 1.900 ppm2 7.350   
 ASSI  {1211} 10 HG 30 HE% 3.800 1.800 1.800 peak 1211 volume 0.66078E-03 ppm1 1.905 ppm2 7.220   
 ASSI  {1294} 10 HD2% 30 HZ 3.100 1.200 1.200 peak 1294 volume 0.17598E-02 ppm1 1.140 ppm2 7.348  
   OR  {1294} 10 HD2% 30 HD%   
 ASSI  {1295} 10 HD2% 30 HE% 3.100 1.200 1.200 peak 1295 volume 0.21932E-02 ppm1 1.140 ppm2 7.223   
 ASSI  {2164} 10 HB1 30 HZ 3.700 1.700 1.700 peak 2164 volume 0.57908E-03 ppm1 2.356 ppm2 7.355   
 ASSIs {3473} 10 HD2% 30 HZ 3.700 1.700 1.700 peak 3473 volume 0.49329E-03 ppm1 1.140 ppm2 7.356   
 ASSIs {3474} 10 HD1% 30 HZ 5.200 3.400 0.800 peak 3474 volume 0.20282E-03 ppm1 1.047 ppm2 7.365   
 ASSIs {855} 10 HD2% 31 HD1% 3.100 1.200 1.200 peak 855 volume 0.45697E-02 ppm1 1.150 ppm2 0.459   
 ASSIs {911} 10 HD2% 31 HD2% 3.500 1.500 1.500 peak 911 volume 0.92721E-03 ppm1 1.147 ppm2 0.791   
 ASSI  {1296} 10 HD2% 35 HZ 4.600 2.600 1.400 peak 1296 volume 0.38299E-03 ppm1 1.138 ppm2 6.904   
 ASSI  {789} 10 HD1% 35 HE% 4.000 2.000 2.000 peak 789 volume 0.41757E-03 ppm1 1.053 ppm2 6.929   
 ASSI  {1269} 10 HD2% 71 HB1 2.400 0.700 0.700 peak 1269 volume 0.28997E-02 ppm1 1.140 ppm2 2.247   
 ASSIs {1612} 10 HD2% 71 HB2 3.600 1.600 1.600 peak 1612 volume 0.10628E-02 ppm1 1.137 ppm2 2.020   
 ASSI  {1291} 10 HD2% 75 HN 3.500 1.500 1.500 peak 1291 volume 0.97193E-03 ppm1 1.140 ppm2 8.733   
 ASSIs {2097} 10 HD2% 75 HB2 2.300 0.700 0.700 peak 2097 volume 0.31798E-02 ppm1 1.138 ppm2 1.556   
 ASSIs {1043} 11 HA 26 HD2% 3.600 1.600 1.600 peak 1043 volume 0.81008E-03 ppm1 3.525 ppm2 0.814   
 ASSI  {2315} 11 HD1 27 HA 3.700 1.700 1.700 peak 2315 volume 0.73222E-03 ppm1 3.239 ppm2 4.310   
 ASSIs {2962} 11 HD2 27 HA 2.900 1.000 1.000 peak 2962 volume 0.16062E-02 ppm1 3.198 ppm2 4.306   
 ASSI  {1482} 11 HB2 30 HE% 3.100 1.200 1.200 peak 1482 volume 0.93456E-03 ppm1 2.058 ppm2 7.222  
   OR  {1482} 11 HB1 30 HE%   
 ASSI  {2338} 11 HD1 30 HE% 4.100 2.100 1.900 peak 2338 volume 0.64497E-03 ppm1 3.243 ppm2 7.220   
 ASSI  {2339} 11 HD2 30 HE% 4.200 2.200 1.800 peak 2339 volume 0.71714E-03 ppm1 3.186 ppm2 7.218   
 ASSI  {3029} 11 HA 30 HZ 3.200 1.300 1.300 peak 3029 volume 0.12508E-02 ppm1 3.525 ppm2 7.348  
   OR  {3029} 11 HA 30 HD%   
 ASSI  {3030} 11 HA 30 HE% 3.300 1.300 1.300 peak 3030 volume 0.88468E-03 ppm1 3.524 ppm2 7.223   
 ASSIs {3478} 11 HA 30 HZ 3.800 1.800 1.800 peak 3478 volume 0.39714E-03 ppm1 3.521 ppm2 7.358   
 ASSIs {3493} 11 HA 30 HE% 3.600 1.600 1.600 peak 3493 volume 0.47114E-03 ppm1 3.523 ppm2 7.224  
   ORs {3493} 11 HA 30 HE%   
 ASSIs {3500} 11 HN 30 HE% 4.300 2.400 1.700 peak 3500 volume 0.28246E-03 ppm1 8.839 ppm2 7.217  
   ORs {3500} 11 HN 30 HE%   
 ASSI  {607} 11 HN 30 HZ 3.500 1.500 1.500 peak 607 volume 0.16723E-02 ppm1 8.843 ppm2 7.354   
 ASSI  {608} 11 HN 30 HE% 3.700 1.700 1.700 peak 608 volume 0.78857E-03 ppm1 8.845 ppm2 7.232   
 ASSIs {561} 13 HB% 48 HG2% 2.300 0.700 0.700 peak 561 volume 0.61275E-02 ppm1 1.682 ppm2 1.136   
 ASSI  {2610} 13 HA 51 HD1 3.800 1.800 1.800 peak 2610 volume 0.43278E-03 ppm1 4.415 ppm2 3.449   
 ASSI  {257} 13 HB% 52 HD1% 2.700 0.900 0.900 peak 257 volume 0.31474E-02 ppm1 1.678 ppm2 0.877   
 ASSI  {272} 13 HB% 56 HE% 4.600 2.700 1.400 peak 272 volume 0.37008E-03 ppm1 1.681 ppm2 6.821   
 ASSIs {1027} 14 HB1 26 HD2% 3.000 1.100 1.100 peak 1027 volume 0.18536E-02 ppm1 2.007 ppm2 0.813   
 ASSI  {1076} 14 HD2% 30 HZ 3.100 1.200 1.200 peak 1076 volume 0.14829E-02 ppm1 0.915 ppm2 7.334  
   OR  {1076} 14 HD2% 30 HD%   
 ASSI  {1077} 14 HD2% 30 HE% 3.000 1.100 1.100 peak 1077 volume 0.20969E-02 ppm1 0.918 ppm2 7.222   
 ASSI  {797} 14 HD1% 30 HE% 4.300 2.300 1.700 peak 797 volume 0.26683E-03 ppm1 0.773 ppm2 7.220   
 ASSI  {1073} 14 HD2% 35 HE% 3.000 1.100 1.100 peak 1073 volume 0.16638E-02 ppm1 0.917 ppm2 6.924   
 ASSI  {415} 14 HD1% 35 HD% 3.900 1.900 1.900 peak 415 volume 0.37557E-03 ppm1 0.774 ppm2 7.129   
 ASSI  {416} 14 HD1% 35 HE% 2.700 0.900 0.900 peak 416 volume 0.26528E-02 ppm1 0.775 ppm2 6.934   
 ASSI  {2762} 14 HA 40 HE% 3.800 1.800 1.800 peak 2762 volume 0.67884E-03 ppm1 4.421 ppm2 6.733   
 ASSIs {3394} 14 HD1% 40 HE% 3.000 1.100 1.100 peak 3394 volume 0.23246E-02 ppm1 0.783 ppm2 6.737   
 ASSIs {3399} 14 HB2 40 HE% 4.400 2.400 1.600 peak 3399 volume 0.77426E-03 ppm1 1.424 ppm2 6.737   
 ASSIs {3433} 14 HB1 40 HE% 3.600 1.600 1.600 peak 3433 volume 0.40182E-03 ppm1 1.990 ppm2 6.737   
 ASSIs {3563} 14 HD1% 40 HD% 3.500 1.500 1.500 peak 3563 volume 0.94273E-03 ppm1 0.779 ppm2 6.976  
   ORs {3563} 14 HD1% 40 HD%   
 ASSI  {674} 14 HD1% 45 HD2% 4.200 2.200 1.800 peak 674 volume 0.54404E-03 ppm1 0.770 ppm2 0.408   
 ASSI  {675} 14 HD1% 45 HD1% 3.100 1.200 1.200 peak 675 volume 0.15793E-02 ppm1 0.772 ppm2 0.209   
 ASSIs {3342} 14 HD1% 48 HB 4.400 2.400 1.600 peak 3342 volume 0.37200E-03 ppm1 0.773 ppm2 4.437   
 ASSIs {345} 14 HD1% 48 HG2% 2.300 0.600 0.600 peak 345 volume 0.79047E-02 ppm1 0.776 ppm2 1.136   
 ASSIs {2399} 15 HG2% 23 HA2 3.000 3.000 3.000 peak 2399 volume 0.71743E-03 ppm1 1.131 ppm2 4.088  
   ORs {2399} 15 HG2% 23 HA1   
 ASSI  {3276} 15 HA 26 HD2% 3.500 1.500 1.500 peak 3276 volume 0.10677E-02 ppm1 3.931 ppm2 0.809   
 ASSI  {400} 15 HG2% 26 HD2% 2.700 0.900 0.900 peak 400 volume 0.31666E-02 ppm1 1.129 ppm2 0.807   
 ASSI  {3266} 15 HA 40 HE% 4.500 2.500 1.500 peak 3266 volume 0.24484E-03 ppm1 3.930 ppm2 6.740   
 ASSI  {3207} 17 HB2 40 HE% 4.500 2.500 1.500 peak 3207 volume 0.25726E-03 ppm1 4.069 ppm2 6.740   
 ASSIs {3413} 17 HB1 40 HE% 4.300 2.300 1.700 peak 3413 volume 0.33682E-03 ppm1 4.164 ppm2 6.740   
 ASSI  {3167} 17 HB1 47 HG1 4.600 2.600 1.400 peak 3167 volume 0.23916E-03 ppm1 4.152 ppm2 2.582   
 ASSI  {3168} 17 HB2 47 HG1 4.300 2.300 1.700 peak 3168 volume 0.27542E-03 ppm1 4.068 ppm2 2.596   
 ASSI  {3169} 17 HB1 47 HG2 4.500 2.600 1.500 peak 3169 volume 0.18897E-03 ppm1 4.158 ppm2 2.461   
 ASSI  {3170} 17 HB2 47 HG2 4.200 2.200 1.800 peak 3170 volume 0.28419E-03 ppm1 4.069 ppm2 2.460   
 ASSI  {3171} 17 HB1 47 HB1 4.200 2.200 1.800 peak 3171 volume 0.26580E-03 ppm1 4.152 ppm2 2.348   
 ASSI  {3172} 17 HB2 47 HB1 3.800 1.800 1.800 peak 3172 volume 0.38403E-03 ppm1 4.068 ppm2 2.338   
 ASSI  {265} 17 HN 48 HG2% 4.000 2.000 2.000 peak 265 volume 0.39439E-03 ppm1 7.809 ppm2 1.137   
 ASSI  {3161} 17 HB1 48 HG2% 4.500 2.600 1.500 peak 3161 volume 0.23218E-03 ppm1 4.151 ppm2 1.137   
 ASSI  {3162} 17 HB2 48 HG2% 4.600 2.700 1.400 peak 3162 volume 0.22447E-03 ppm1 4.068 ppm2 1.131   
 ASSI  {3213} 17 HB1 48 HN 5.100 3.200 0.900 peak 3213 volume 0.16193E-03 ppm1 4.147 ppm2 8.333   
 ASSI  {2510} 18 HA 40 HE% 4.300 2.300 1.700 peak 2510 volume 0.50317E-03 ppm1 4.360 ppm2 6.741   
 ASSI  {539} 18 HB% 40 HD% 3.900 1.900 1.900 peak 539 volume 0.10094E-02 ppm1 1.554 ppm2 6.977   
 ASSI  {540} 18 HB% 40 HE% 3.000 1.100 1.100 peak 540 volume 0.22042E-02 ppm1 1.553 ppm2 6.735   
 ASSIs {1849} 24 HG2% 38 HB 3.700 1.700 1.700 peak 1849 volume 0.52764E-03 ppm1 1.302 ppm2 2.477   
 ASSI  {3351} 24 HB 38 HG2% 4.200 2.200 1.800 peak 3351 volume 0.40182E-03 ppm1 4.240 ppm2 1.094   
 ASSI  {688} 26 HD1% 33 HD1% 3.600 1.600 1.600 peak 688 volume 0.10266E-02 ppm1 0.711 ppm2 0.966   
 ASSIs {991} 26 HD1% 33 HD2% 3.400 1.400 1.400 peak 991 volume 0.13474E-02 ppm1 0.711 ppm2 1.084   
 ASSIs {1852} 26 HD1% 38 HB 3.400 1.500 1.500 peak 1852 volume 0.74964E-03 ppm1 0.711 ppm2 2.475   
 ASSI  {687} 26 HD1% 38 HG2% 2.700 0.900 0.900 peak 687 volume 0.29476E-02 ppm1 0.710 ppm2 1.072   
 ASSI  {689} 26 HD1% 38 HD1% 2.600 0.800 0.800 peak 689 volume 0.45140E-02 ppm1 0.711 ppm2 0.904   
 ASSI  {1071} 26 HD2% 40 HD% 4.300 2.300 1.700 peak 1071 volume 0.33320E-03 ppm1 0.812 ppm2 6.974   
 ASSI  {1072} 26 HD2% 40 HE% 3.500 1.600 1.600 peak 1072 volume 0.71407E-03 ppm1 0.813 ppm2 6.739   
 ASSI  {781} 26 HD1% 40 HE% 3.900 1.900 1.900 peak 781 volume 0.58974E-03 ppm1 0.711 ppm2 6.742   
 ASSI  {3497} 30 HE% 35 HD% 2.800 1.000 1.000 peak 3497 volume 0.24972E-02 ppm1 7.223 ppm2 7.104  
   OR  {3497} 30 HE% 35 HD%   
 ASSIs {39} 30 HD% 38 HD1% 3.200 1.200 1.200 peak 39 volume 0.83081E-03 ppm1 7.325 ppm2 0.893   
 ASSIs {40} 30 HE% 38 HD1% 3.200 1.300 1.300 peak 40 volume 0.84113E-03 ppm1 7.223 ppm2 0.894   
 ASSIs {1083} 30 HD% 71 HG2 2.900 1.100 1.100 peak 1083 volume 0.91188E-03 ppm1 7.327 ppm2 1.344   
 ASSIs {1092} 30 HD% 71 HG1 3.100 1.200 1.200 peak 1092 volume 0.17443E-02 ppm1 7.325 ppm2 2.207   
 ASSIs {1093} 30 HE% 71 HG1 2.800 1.000 1.000 peak 1093 volume 0.85923E-03 ppm1 7.220 ppm2 2.208   
 ASSIs {1557} 30 HD% 71 HB1 3.900 1.900 1.900 peak 1557 volume 0.10629E-02 ppm1 7.330 ppm2 2.262   
 ASSIs {1558} 30 HE% 71 HB1 3.300 1.300 1.300 peak 1558 volume 0.15477E-02 ppm1 7.222 ppm2 2.262   
 ASSIs {1561} 30 HD% 71 HB2 4.400 2.400 1.600 peak 1561 volume 0.58886E-03 ppm1 7.328 ppm2 2.020   
 ASSIs {2496} 30 HD% 71 HD1 4.400 2.400 1.600 peak 2496 volume 0.26044E-03 ppm1 7.337 ppm2 4.039   
 ASSIs {3257} 30 HE% 71 HA 4.900 3.000 1.100 peak 3257 volume 0.30804E-03 ppm1 7.228 ppm2 4.247   
 ASSI  {3482} 30 HE% 71 HB1 3.400 1.400 1.400 peak 3482 volume 0.12454E-02 ppm1 7.222 ppm2 2.256  
   OR  {3482} 30 HE% 71 HB1   
 ASSI  {3585} 30 HD% 71 HG1 3.000 1.100 1.100 peak 3585 volume 0.20157E-02 ppm1 7.321 ppm2 2.214  
   OR  {3585} 30 HD% 71 HG1   
 ASSIs {1004} 31 HD1% 71 HG1 6.000 4.700 0.000 peak 1004 volume 0.36525E-03 ppm1 0.459 ppm2 2.206   
 ASSIs {1040} 31 HA 71 HG1 4.000 2.000 2.000 peak 1040 volume 0.12644E-02 ppm1 3.308 ppm2 2.210   
 ASSIs {1607} 31 HD1% 71 HB1 4.700 2.700 1.300 peak 1607 volume 0.15054E-02 ppm1 0.458 ppm2 2.263   
 ASSIs {1609} 31 HD2% 71 HB1 4.200 2.200 1.800 peak 1609 volume 0.53684E-03 ppm1 0.790 ppm2 2.262   
 ASSIs {2493} 31 HA 71 HD1 4.600 2.600 1.400 peak 2493 volume 0.53811E-03 ppm1 3.308 ppm2 4.035   
 ASSI  {2810} 31 HA 71 HD2 3.200 1.300 1.300 peak 2810 volume 0.40585E-03 ppm1 3.304 ppm2 2.799   
 ASSI  {2812} 31 HA 71 HB1 3.400 1.500 1.500 peak 2812 volume 0.34285E-02 ppm1 3.308 ppm2 2.248   
 ASSI  {2813} 31 HA 71 HB2 1.900 0.400 0.400 peak 2813 volume 0.57013E-02 ppm1 3.308 ppm2 2.021   
 ASSI  {2816} 31 HA 71 HG2 2.800 1.000 1.000 peak 2816 volume 0.87967E-03 ppm1 3.308 ppm2 1.342   
 ASSIs {3238} 31 HD1% 71 HA 5.100 3.300 0.900 peak 3238 volume 0.45632E-03 ppm1 0.454 ppm2 4.244   
 ASSIs {3244} 31 HD2% 71 HA 4.800 2.900 1.200 peak 3244 volume 0.56648E-03 ppm1 0.785 ppm2 4.247   
 ASSIs {3253} 31 HA 71 HA 4.600 2.600 1.400 peak 3253 volume 0.71704E-03 ppm1 3.309 ppm2 4.249   
 ASSI  {565} 31 HN 71 HB2 5.000 3.100 1.000 peak 565 volume 0.29247E-03 ppm1 7.536 ppm2 2.031   
 ASSI  {841} 31 HD1% 71 HB2 3.600 3.600 2.400 peak 841 volume 0.32157E-02 ppm1 0.461 ppm2 2.024   
 ASSIs {10} 31 HB2 72 HE 4.100 2.100 1.900 peak 10 volume 0.46310E-03 ppm1 1.031 ppm2 9.075   
 ASSIs {11} 31 HB1 72 HE 2.900 1.100 1.100 peak 11 volume 0.13472E-02 ppm1 1.649 ppm2 9.075   
 ASSIs {1448} 31 HD1% 72 HB2 4.200 2.300 1.800 peak 1448 volume 0.37272E-03 ppm1 0.458 ppm2 1.620   
 ASSIs {1450} 31 HD2% 72 HB2 5.300 3.400 0.700 peak 1450 volume 0.19374E-03 ppm1 0.789 ppm2 1.621   
 ASSIs {1451} 31 HG 72 HB1 3.300 3.300 2.700 peak 1451 volume 0.38486E-03 ppm1 1.214 ppm2 1.873   
 ASSI  {2186} 31 HB2 72 HB1 3.900 1.900 1.900 peak 2186 volume 0.13655E-02 ppm1 1.025 ppm2 1.875   
 ASSIs {2270} 31 HD2% 72 HD1 5.300 3.500 0.700 peak 2270 volume 0.24033E-03 ppm1 0.789 ppm2 3.502   
 ASSI  {2755} 31 HA 72 HN 3.100 1.200 1.200 peak 2755 volume 0.11167E-02 ppm1 3.309 ppm2 9.003   
 ASSIs {3} 31 HD2% 72 HH21 2.900 1.000 1.000 peak 3 volume 0.94298E-03 ppm1 0.792 ppm2 6.909  
   ORs {3} 31 HD2% 72 HH11  
   ORs {3} 31 HD2% 72 HH11  
   ORs {3} 31 HD2% 72 HH11  
   ORs {3} 31 HD2% 72 HH11  
   ORs {3} 31 HD2% 72 HH12  
   ORs {3} 31 HD2% 72 HH12  
   ORs {3} 31 HD2% 72 HH12  
   ORs {3} 31 HD2% 72 HH12  
   ORs {3} 31 HD2% 72 HH21  
   ORs {3} 31 HD2% 72 HH21  
   ORs {3} 31 HD2% 72 HH21  
   ORs {3} 31 HD2% 72 HH22  
   ORs {3} 31 HD2% 72 HH22  
   ORs {3} 31 HD2% 72 HH22  
   ORs {3} 31 HD2% 72 HH22   
 ASSIs {3002} 31 HG 72 HA 3.200 3.200 2.800 peak 3002 volume 0.47392E-03 ppm1 1.214 ppm2 3.622   
 ASSIs {3004} 31 HB2 72 HA 4.400 2.400 1.600 peak 3004 volume 0.11208E-02 ppm1 1.028 ppm2 3.619   
 ASSIs {3006} 31 HD2% 72 HA 3.000 1.100 1.100 peak 3006 volume 0.14046E-02 ppm1 0.795 ppm2 3.619   
 ASSI  {429} 31 HD1% 72 HA 2.700 0.900 0.900 peak 429 volume 0.34805E-02 ppm1 0.460 ppm2 3.619   
 ASSI  {430} 31 HD1% 72 HD1 4.700 2.800 1.300 peak 430 volume 0.33371E-03 ppm1 0.459 ppm2 3.516   
 ASSIs {487} 31 HB2 72 HN 4.500 2.500 1.500 peak 487 volume 0.86137E-03 ppm1 1.031 ppm2 9.001   
 ASSIs {8} 31 HD1% 72 HE 4.600 2.600 1.400 peak 8 volume 0.26645E-03 ppm1 0.457 ppm2 9.074   
 ASSI  {812} 31 HD1% 72 HN 4.000 2.000 2.000 peak 812 volume 0.10185E-02 ppm1 0.458 ppm2 9.007   
 ASSI  {842} 31 HD1% 72 HB1 3.200 1.300 1.300 peak 842 volume 0.15644E-02 ppm1 0.460 ppm2 1.882   
 ASSIs {9} 31 HD2% 72 HE 3.400 1.500 1.500 peak 9 volume 0.31768E-03 ppm1 0.792 ppm2 9.077   
 ASSI  {914} 31 HD2% 72 HB1 4.400 2.400 1.600 peak 914 volume 0.36395E-03 ppm1 0.790 ppm2 1.870   
 ASSIs {2190} 31 HD1% 75 HB2 4.000 2.000 2.000 peak 2190 volume 0.58575E-03 ppm1 0.457 ppm2 1.551   
 ASSI  {857} 31 HD1% 75 HD2% 2.600 0.900 0.900 peak 857 volume 0.40650E-02 ppm1 0.459 ppm2 0.888   
 ASSI  {2522} 32 HA 70 HB 3.000 1.100 1.100 peak 2522 volume 0.15119E-02 ppm1 5.057 ppm2 4.641   
 ASSIs {383} 32 HA 70 HG2% 3.100 1.200 1.200 peak 383 volume 0.16448E-02 ppm1 5.059 ppm2 1.100   
 ASSIs {2494} 32 HA 71 HD1 5.000 3.200 1.000 peak 2494 volume 0.24617E-03 ppm1 5.060 ppm2 4.035   
 ASSI  {2105} 33 HB1 38 HD1% 3.900 1.900 1.900 peak 2105 volume 0.95957E-03 ppm1 1.789 ppm2 0.891   
 ASSIs {507} 33 HA 38 HG2% 3.100 1.200 1.200 peak 507 volume 0.54818E-03 ppm1 4.312 ppm2 1.079   
 ASSI  {859} 33 HN 38 HD1% 4.900 3.000 1.100 peak 859 volume 0.31753E-03 ppm1 7.226 ppm2 0.884   
 ASSI  {852} 33 HN 70 HB 4.000 2.000 2.000 peak 852 volume 0.47403E-03 ppm1 7.226 ppm2 4.646   
 ASSI  {845} 33 HN 71 HG1 4.700 2.700 1.300 peak 845 volume 0.38461E-03 ppm1 7.224 ppm2 2.210   
 ASSI  {848} 33 HN 71 HD2 3.700 1.700 1.700 peak 848 volume 0.38261E-03 ppm1 7.227 ppm2 2.791   
 ASSI  {849} 33 HN 71 HD1 3.700 1.700 1.700 peak 849 volume 0.96570E-03 ppm1 7.226 ppm2 4.037   
 ASSIs {2369} 34 HG2 69 HB2 4.700 2.800 1.300 peak 2369 volume 0.25844E-03 ppm1 1.626 ppm2 2.885   
 ASSIs {395} 34 HG2 70 HG2% 3.000 1.100 1.100 peak 395 volume 0.21429E-02 ppm1 1.619 ppm2 1.097   
 ASSIs {599} 34 HA 70 HG2% 2.500 0.800 0.800 peak 599 volume 0.37925E-02 ppm1 4.751 ppm2 1.100   
 ASSIs {614} 34 HD1 70 HG2% 4.100 2.100 1.900 peak 614 volume 0.43313E-03 ppm1 3.472 ppm2 1.102   
 ASSIs {615} 34 HD2 70 HG2% 4.000 2.000 2.000 peak 615 volume 0.36981E-03 ppm1 3.349 ppm2 1.100   
 ASSIs {626} 34 HG1 70 HG2% 2.900 1.000 1.000 peak 626 volume 0.16829E-02 ppm1 1.940 ppm2 1.099   
 ASSI  {1806} 35 HB2 40 HN 5.000 3.200 1.000 peak 1806 volume 0.26977E-03 ppm1 3.112 ppm2 8.076   
 ASSI  {1813} 35 HB2 40 HB2 4.700 2.700 1.300 peak 1813 volume 0.73480E-03 ppm1 3.110 ppm2 2.822   
 ASSI  {1823} 35 HB1 40 HB2 2.700 0.900 0.900 peak 1823 volume 0.14919E-02 ppm1 3.624 ppm2 2.821   
 ASSI  {1829} 35 HB1 40 HD% 4.400 2.400 1.600 peak 1829 volume 0.58283E-03 ppm1 3.625 ppm2 6.996   
 ASSIs {1882} 35 HB1 40 HB1 2.400 0.700 0.700 peak 1882 volume 0.18443E-02 ppm1 3.623 ppm2 3.008   
 ASSIs {1941} 35 HD% 40 HB1 3.400 1.400 1.400 peak 1941 volume 0.17123E-02 ppm1 7.130 ppm2 3.009   
 ASSIs {1942} 35 HD% 40 HB2 3.400 1.500 1.500 peak 1942 volume 0.13883E-02 ppm1 7.131 ppm2 2.822   
 ASSI  {3091} 35 HA 40 HD% 4.400 2.400 1.600 peak 3091 volume 0.10009E-02 ppm1 4.394 ppm2 6.993   
 ASSI  {3101} 35 HA 40 HB2 3.200 1.300 1.300 peak 3101 volume 0.82302E-03 ppm1 4.394 ppm2 2.816   
 ASSIs {863} 35 HB1 40 HN 3.900 1.900 1.900 peak 863 volume 0.79173E-03 ppm1 3.627 ppm2 8.084   
 ASSIs {872} 35 HD% 40 HN 4.700 2.800 1.300 peak 872 volume 0.58682E-03 ppm1 7.139 ppm2 8.084   
 ASSI  {1815} 35 HB2 45 HD1% 4.400 2.400 1.600 peak 1815 volume 0.33533E-03 ppm1 3.111 ppm2 0.210   
 ASSI  {1816} 35 HB1 45 HD2% 3.600 1.600 1.600 peak 1816 volume 0.82920E-03 ppm1 3.624 ppm2 0.395   
 ASSI  {3452} 35 HZ 45 HD1% 4.300 2.300 1.700 peak 3452 volume 0.18640E-03 ppm1 6.890 ppm2 0.206   
 ASSI  {3453} 35 HZ 45 HD2% 6.000 5.300 0.000 peak 3453 volume 0.22103E-04 ppm1 6.888 ppm2 0.398   
 ASSI  {3506} 35 HE% 45 HD1% 3.500 1.500 1.500 peak 3506 volume 0.58765E-03 ppm1 6.939 ppm2 0.208   
 ASSIs {740} 35 HB1 45 HD1% 3.500 1.500 1.500 peak 740 volume 0.51193E-03 ppm1 3.636 ppm2 0.212   
 ASSIs {777} 35 HD% 45 HD1% 3.100 1.200 1.200 peak 777 volume 0.11302E-02 ppm1 7.133 ppm2 0.212   
 ASSIs {826} 35 HD% 45 HD2% 3.300 1.400 1.400 peak 826 volume 0.11663E-02 ppm1 7.136 ppm2 0.393   
 ASSIs {827} 35 HE% 45 HD2% 3.300 1.300 1.300 peak 827 volume 0.16391E-02 ppm1 6.939 ppm2 0.393   
 ASSIs {835} 35 HB2 45 HD2% 3.400 1.400 1.400 peak 835 volume 0.67894E-03 ppm1 3.097 ppm2 0.393   
 ASSIs {554} 35 HE% 48 HG2% 3.300 3.300 2.700 peak 554 volume 0.35929E-03 ppm1 6.944 ppm2 1.136   
 ASSIs {1625} 35 HE% 68 HB 3.300 1.400 1.400 peak 1625 volume 0.53840E-03 ppm1 6.925 ppm2 2.428   
 ASSI  {3443} 35 HZ 68 HG2% 4.200 2.200 1.800 peak 3443 volume 0.28924E-03 ppm1 6.877 ppm2 1.253   
 ASSI  {3510} 35 HD% 68 HG2% 3.500 1.500 1.500 peak 3510 volume 0.91821E-03 ppm1 7.130 ppm2 1.252  
   OR  {3510} 35 HD% 68 HG2%   
 ASSI  {3511} 35 HE% 68 HG2% 3.000 1.100 1.100 peak 3511 volume 0.16308E-02 ppm1 6.934 ppm2 1.251  
   OR  {3511} 35 HE% 68 HG2%   
 ASSIs {354} 35 HD% 68 HG2% 3.200 1.300 1.300 peak 354 volume 0.13707E-02 ppm1 7.133 ppm2 1.249   
 ASSIs {355} 35 HE% 68 HG2% 2.700 0.900 0.900 peak 355 volume 0.33264E-02 ppm1 6.934 ppm2 1.249   
 ASSIs {422} 35 HD% 68 HG1% 4.600 2.700 1.400 peak 422 volume 0.60443E-03 ppm1 7.135 ppm2 1.159   
 ASSIs {423} 35 HE% 68 HG1% 4.100 2.100 1.900 peak 423 volume 0.12837E-02 ppm1 6.933 ppm2 1.158   
 ASSI  {1810} 35 HB2 69 HA 5.100 3.200 0.900 peak 1810 volume 0.13583E-03 ppm1 3.092 ppm2 5.271   
 ASSI  {1826} 35 HB1 69 HA 6.000 5.900 0.000 peak 1826 volume 0.11502E-03 ppm1 3.616 ppm2 5.278   
 ASSIs {2665} 35 HD% 69 HA 2.900 1.100 1.100 peak 2665 volume 0.15496E-02 ppm1 7.132 ppm2 5.270   
 ASSIs {2668} 35 HZ 69 HA 5.200 3.300 0.800 peak 2668 volume 0.27454E-03 ppm1 6.898 ppm2 5.274   
 ASSIs {2671} 35 HN 69 HA 4.100 2.100 1.900 peak 2671 volume 0.40948E-03 ppm1 8.448 ppm2 5.272   
 ASSI  {3544} 35 HE% 69 HA 4.800 2.900 1.200 peak 3544 volume 0.15814E-03 ppm1 6.943 ppm2 5.282   
 ASSIs {135} 35 HE% 70 HN 3.300 1.400 1.400 peak 135 volume 0.53772E-03 ppm1 6.928 ppm2 7.492   
 ASSI  {3550} 35 HE% 70 HN 3.900 1.900 1.900 peak 3550 volume 0.19370E-03 ppm1 6.932 ppm2 7.490  
   OR  {3550} 35 HE% 70 HN   
 ASSI  {3551} 35 HD% 70 HN 4.900 2.900 1.100 peak 3551 volume 0.16530E-03 ppm1 7.124 ppm2 7.479  
   OR  {3551} 35 HD% 70 HN   
 ASSI  {962} 35 HN 70 HA 3.100 1.200 1.200 peak 962 volume 0.11929E-02 ppm1 8.452 ppm2 4.966   
 ASSIs {1082} 35 HE% 71 HG2 4.300 2.300 1.700 peak 1082 volume 0.10155E-02 ppm1 6.918 ppm2 1.341  
   ORs {1082} 35 HZ 71 HG2   
 ASSIs {1091} 35 HE% 71 HG1 3.300 1.400 1.400 peak 1091 volume 0.62580E-03 ppm1 6.916 ppm2 2.209  
   ORs {1091} 35 HZ 71 HG1   
 ASSIs {1563} 35 HZ 71 HB1 4.500 2.500 1.500 peak 1563 volume 0.65855E-03 ppm1 6.905 ppm2 2.263   
 ASSIs {1564} 35 HZ 71 HB2 5.600 3.900 0.400 peak 1564 volume 0.22353E-03 ppm1 6.913 ppm2 2.019  
   ORs {1564} 35 HE% 71 HB2   
 ASSIs {3259} 35 HZ 71 HA 2.000 0.500 0.500 peak 3259 volume 0.61013E-02 ppm1 6.900 ppm2 4.247   
 ASSI  {3526} 35 HD% 71 HG1 4.400 2.400 1.600 peak 3526 volume 0.14991E-03 ppm1 7.134 ppm2 2.213  
   OR  {3526} 35 HD% 71 HG1   
 ASSI  {3527} 35 HE% 71 HB1 4.200 2.200 1.800 peak 3527 volume 0.34581E-03 ppm1 6.938 ppm2 2.245  
   OR  {3527} 35 HE% 71 HB1   
 ASSI  {3542} 35 HE% 71 HA 3.500 1.500 1.500 peak 3542 volume 0.11137E-02 ppm1 6.935 ppm2 4.249  
   OR  {3542} 35 HE% 71 HA   
 ASSIs {1081} 35 HZ 74 HG 3.400 1.400 1.400 peak 1081 volume 0.18276E-02 ppm1 6.899 ppm2 0.994   
 ASSIs {2149} 35 HZ 74 HB1 3.400 1.500 1.500 peak 2149 volume 0.68103E-03 ppm1 6.904 ppm2 2.431   
 ASSIs {2150} 35 HZ 74 HB2 3.000 1.100 1.100 peak 2150 volume 0.95091E-03 ppm1 6.910 ppm2 1.721  
   ORs {2150} 35 HE% 74 HB2   
 ASSI  {3466} 35 HZ 74 HB2 4.200 2.200 1.800 peak 3466 volume 0.95787E-04 ppm1 6.894 ppm2 1.713   
 ASSI  {3549} 35 HD% 74 HN 5.700 4.100 0.300 peak 3549 volume 0.13288E-03 ppm1 7.126 ppm2 7.689  
   OR  {3549} 35 HD% 74 HN   
 ASSI  {3552} 35 HE% 74 HN 5.100 3.200 0.900 peak 3552 volume 0.13999E-03 ppm1 6.933 ppm2 7.706  
   OR  {3552} 35 HE% 74 HN   
 ASSIs {408} 35 HZ 74 HD1% 4.000 2.000 2.000 peak 408 volume 0.54745E-03 ppm1 6.909 ppm2 1.079  
   ORs {408} 35 HZ 74 HD2%   
 ASSI  {56} 38 HD1% 71 HD1 3.800 1.800 1.800 peak 56 volume 0.44467E-03 ppm1 0.891 ppm2 4.033   
 ASSI  {1903} 40 HB2 45 HD2% 4.900 3.000 1.100 peak 1903 volume 0.38908E-03 ppm1 2.826 ppm2 0.395   
 ASSI  {1906} 40 HB2 45 HD1% 4.400 2.500 1.600 peak 1906 volume 0.58137E-03 ppm1 2.821 ppm2 0.209   
 ASSIs {2859} 40 HD% 45 HA 3.200 1.300 1.300 peak 2859 volume 0.79519E-03 ppm1 6.978 ppm2 3.908   
 ASSIs {2860} 40 HE% 45 HA 3.000 1.100 1.100 peak 2860 volume 0.16727E-02 ppm1 6.737 ppm2 3.909   
 ASSI  {3387} 40 HE% 45 HD1% 4.100 2.100 1.900 peak 3387 volume 0.60774E-03 ppm1 6.737 ppm2 0.207   
 ASSI  {3415} 40 HE% 45 HA 3.200 1.300 1.300 peak 3415 volume 0.12895E-02 ppm1 6.739 ppm2 3.911  
   OR  {3415} 40 HE% 45 HA   
 ASSI  {3564} 40 HD% 45 HD2% 4.500 2.600 1.500 peak 3564 volume 0.49884E-03 ppm1 6.978 ppm2 0.401   
 ASSI  {3565} 40 HD% 45 HD1% 3.600 1.600 1.600 peak 3565 volume 0.76901E-03 ppm1 6.977 ppm2 0.210   
 ASSI  {3567} 40 HD% 45 HG 4.600 2.600 1.400 peak 3567 volume 0.47391E-03 ppm1 6.975 ppm2 1.366  
   OR  {3567} 40 HD% 45 HG   
 ASSI  {3574} 40 HD% 45 HA 3.200 1.300 1.300 peak 3574 volume 0.75096E-03 ppm1 6.977 ppm2 3.910  
   OR  {3574} 40 HD% 45 HA   
 ASSIs {739} 40 HB1 45 HD1% 3.400 1.400 1.400 peak 739 volume 0.67499E-03 ppm1 3.017 ppm2 0.212   
 ASSIs {829} 40 HE% 45 HD2% 5.000 3.100 1.000 peak 829 volume 0.39391E-03 ppm1 6.734 ppm2 0.394   
 ASSIs {884} 40 HD% 45 HN 3.800 1.800 1.800 peak 884 volume 0.52487E-03 ppm1 6.981 ppm2 8.422   
 ASSIs {885} 40 HE% 45 HN 4.300 2.300 1.700 peak 885 volume 0.44736E-03 ppm1 6.736 ppm2 8.423   
 ASSIs {555} 40 HE% 48 HG2% 3.200 1.200 1.200 peak 555 volume 0.48803E-03 ppm1 6.742 ppm2 1.136   
 ASSIs {2639} 45 HD2% 65 HA 3.800 1.800 1.800 peak 2639 volume 0.48541E-03 ppm1 0.395 ppm2 3.969   
 ASSIs {2640} 45 HD1% 65 HA 4.100 2.100 1.900 peak 2640 volume 0.57533E-03 ppm1 0.210 ppm2 3.968   
 ASSIs {495} 45 HD1% 65 HB% 4.400 2.400 1.600 peak 495 volume 0.50458E-03 ppm1 0.209 ppm2 1.394   
 ASSIs {1632} 45 HD2% 68 HB 4.900 3.000 1.100 peak 1632 volume 0.35667E-03 ppm1 0.393 ppm2 2.428   
 ASSIs {1633} 45 HD1% 68 HB 4.300 2.400 1.700 peak 1633 volume 0.49640E-03 ppm1 0.208 ppm2 2.430   
 ASSIs {286} 45 HD1% 68 HN 5.200 3.400 0.800 peak 286 volume 0.45544E-03 ppm1 0.210 ppm2 7.246   
 ASSIs {305} 45 HD2% 68 HG2% 2.500 0.800 0.800 peak 305 volume 0.38738E-02 ppm1 0.395 ppm2 1.250   
 ASSIs {306} 45 HD1% 68 HG2% 2.900 1.000 1.000 peak 306 volume 0.35738E-02 ppm1 0.209 ppm2 1.250   
 ASSIs {670} 45 HD1% 68 HG1% 4.100 2.100 1.900 peak 670 volume 0.90755E-03 ppm1 0.210 ppm2 1.156   
 ASSIs {677} 45 HD2% 68 HG1% 4.400 2.400 1.600 peak 677 volume 0.87271E-03 ppm1 0.397 ppm2 1.158   
 ASSI  {825} 45 HD2% 68 HN 4.700 2.800 1.300 peak 825 volume 0.55095E-03 ppm1 0.393 ppm2 7.250   
 ASSIs {399} 45 HD2% 74 HD2% 2.900 1.100 1.100 peak 399 volume 0.78006E-03 ppm1 0.385 ppm2 1.079  
   ORs {399} 45 HD2% 74 HD1%   
 ASSIs {667} 45 HD1% 74 HD1% 3.300 1.300 1.300 peak 667 volume 0.40307E-03 ppm1 0.214 ppm2 1.076  
   ORs {667} 45 HD1% 74 HD2%   
 ASSI  {699} 45 HD1% 74 HG 2.900 1.100 1.100 peak 699 volume 0.19047E-02 ppm1 0.212 ppm2 0.988   
 ASSIs {994} 45 HD2% 74 HG 2.800 2.800 3.200 peak 994 volume 0.10658E-02 ppm1 0.387 ppm2 0.996   
 ASSIs {284} 46 HA 65 HB% 3.500 1.500 1.500 peak 284 volume 0.11146E-02 ppm1 4.250 ppm2 1.395   
 ASSIs {502} 46 HG1 65 HB% 4.900 3.000 1.100 peak 502 volume 0.33670E-03 ppm1 2.875 ppm2 1.395   
 ASSIs {504} 46 HG2 65 HB% 3.100 1.200 1.200 peak 504 volume 0.81864E-03 ppm1 2.779 ppm2 1.394   
 ASSI  {1567} 46 HG2 66 HA1 4.900 3.000 1.100 peak 1567 volume 0.20660E-03 ppm1 2.767 ppm2 4.145   
 ASSI  {1568} 46 HG1 66 HA1 4.600 2.600 1.400 peak 1568 volume 0.24111E-03 ppm1 2.878 ppm2 4.139   
 ASSIs {2618} 49 HB% 65 HA 3.900 1.900 1.900 peak 2618 volume 0.46072E-03 ppm1 1.545 ppm2 3.968   
 ASSIs {3613} 49 HA 78 HD1% 3.900 1.900 1.900 peak 3613 volume 0.41806E-03 ppm1 3.959 ppm2 0.808   
 ASSIs {316} 52 HB2 58 HG1% 3.500 1.500 1.500 peak 316 volume 0.11753E-02 ppm1 1.454 ppm2 0.931   
 ASSIs {101} 52 HB2 78 HD1% 3.100 1.200 1.200 peak 101 volume 0.16044E-02 ppm1 1.464 ppm2 0.807   
 ASSIs {124} 52 HB1 78 HD1% 2.900 1.000 1.000 peak 124 volume 0.15986E-02 ppm1 2.229 ppm2 0.807   
 ASSIs {185} 52 HB1 78 HG2% 3.500 1.500 1.500 peak 185 volume 0.58429E-03 ppm1 2.231 ppm2 0.881   
 ASSIs {220} 52 HB2 78 HG2% 3.900 1.900 1.900 peak 220 volume 0.60550E-03 ppm1 1.459 ppm2 0.875   
 ASSI  {1378} 53 HB2 58 HG1% 5.300 3.600 0.700 peak 1378 volume 0.36956E-03 ppm1 2.381 ppm2 0.941   
 ASSI  {1641} 53 HG1 58 HG1% 4.200 2.200 1.800 peak 1641 volume 0.73791E-03 ppm1 2.748 ppm2 0.937   
 ASSIs {1663} 53 HA 58 HB 4.300 2.300 1.700 peak 1663 volume 0.47517E-03 ppm1 4.104 ppm2 2.142   
 ASSI  {1667} 53 HG1 58 HN 6.000 5.200 0.000 peak 1667 volume 0.11339E-03 ppm1 2.747 ppm2 7.519   
 ASSIs {204} 53 HB1 58 HN 4.300 2.400 1.700 peak 204 volume 0.28433E-03 ppm1 2.520 ppm2 7.510   
 ASSIs {206} 53 HG2 58 HN 4.500 2.600 1.500 peak 206 volume 0.35164E-03 ppm1 2.310 ppm2 7.516   
 ASSI  {2986} 53 HA 58 HN 2.600 0.800 0.800 peak 2986 volume 0.23240E-02 ppm1 4.106 ppm2 7.511   
 ASSIs {329} 53 HA 58 HG1% 2.500 0.800 0.800 peak 329 volume 0.41931E-02 ppm1 4.107 ppm2 0.934   
 ASSIs {347} 53 HN 58 HG1% 4.600 2.700 1.400 peak 347 volume 0.42103E-03 ppm1 9.005 ppm2 0.933   
 ASSIs {528} 53 HB1 58 HG1% 4.300 2.300 1.700 peak 528 volume 0.59217E-03 ppm1 2.518 ppm2 0.934   
 ASSIs {529} 53 HG2 58 HG1% 2.800 1.000 1.000 peak 529 volume 0.15805E-02 ppm1 2.295 ppm2 0.933   
 ASSIs {600} 53 HA 58 HG2% 3.800 1.800 1.800 peak 600 volume 0.10722E-02 ppm1 4.107 ppm2 0.983   
 ASSI  {1354} 53 HB1 59 HA 3.800 1.800 1.800 peak 1354 volume 0.29291E-03 ppm1 2.515 ppm2 4.854   
 ASSI  {1355} 53 HB2 59 HA 5.100 3.200 0.900 peak 1355 volume 0.26606E-03 ppm1 2.373 ppm2 4.853   
 ASSI  {1657} 53 HG1 59 HA 4.600 2.600 1.400 peak 1657 volume 0.51339E-03 ppm1 2.743 ppm2 4.847   
 ASSI  {1661} 53 HG2 59 HA 3.600 1.600 1.600 peak 1661 volume 0.53723E-03 ppm1 2.302 ppm2 4.854   
 ASSIs {1094} 53 HG1 60 HN 5.200 3.400 0.800 peak 1094 volume 0.26821E-03 ppm1 2.751 ppm2 8.228   
 ASSI  {1350} 53 HB1 60 HN 4.700 2.700 1.300 peak 1350 volume 0.21565E-03 ppm1 2.518 ppm2 8.223   
 ASSI  {1379} 53 HB1 60 HD1% 5.500 3.800 0.500 peak 1379 volume 0.28015E-03 ppm1 2.516 ppm2 0.837   
 ASSI  {1380} 53 HB2 60 HD1% 5.300 3.500 0.700 peak 1380 volume 0.29676E-03 ppm1 2.380 ppm2 0.831   
 ASSI  {1634} 53 HG1 60 HB 5.100 3.300 0.900 peak 1634 volume 0.18073E-03 ppm1 2.747 ppm2 1.784   
 ASSI  {1639} 53 HG1 60 HG12 5.900 4.400 0.100 peak 1639 volume 0.28213E-03 ppm1 2.748 ppm2 1.121   
 ASSI  {1642} 53 HG1 60 HD1% 3.000 1.100 1.100 peak 1642 volume 0.93899E-03 ppm1 2.747 ppm2 0.830   
 ASSI  {1646} 53 HG2 60 HD1% 3.400 1.400 1.400 peak 1646 volume 0.75967E-03 ppm1 2.299 ppm2 0.838   
 ASSI  {1649} 53 HG2 60 HG11 2.900 1.100 1.100 peak 1649 volume 0.47341E-03 ppm1 2.302 ppm2 1.498   
 ASSI  {1650} 53 HG2 60 HB 4.800 2.900 1.200 peak 1650 volume 0.23064E-03 ppm1 2.301 ppm2 1.788   
 ASSI  {1674} 53 HG2 60 HN 3.900 1.900 1.900 peak 1674 volume 0.60317E-03 ppm1 2.302 ppm2 8.235   
 ASSI  {3008} 53 HA 60 HD1% 4.100 2.100 1.900 peak 3008 volume 0.89699E-03 ppm1 4.104 ppm2 0.828   
 ASSIs {218} 56 HD% 78 HG2% 4.000 2.000 2.000 peak 218 volume 0.40844E-03 ppm1 7.451 ppm2 0.877   
 ASSIs {221} 56 HB1 78 HG2% 4.800 2.800 1.200 peak 221 volume 0.22302E-03 ppm1 3.462 ppm2 0.875   
 ASSIs {816} 56 HD% 82 HD1% 3.300 1.400 1.400 peak 816 volume 0.89144E-03 ppm1 7.453 ppm2 0.997   
 ASSIs {863} 56 HB1 82 HD1% 3.000 1.100 1.100 peak 863 volume 0.16976E-02 ppm1 3.458 ppm2 0.997   
 ASSIs {975} 56 HD% 82 HD2% 3.600 1.600 1.600 peak 975 volume 0.64132E-03 ppm1 7.452 ppm2 0.988   
 ASSIs {981} 56 HB1 82 HD2% 3.500 1.500 1.500 peak 981 volume 0.52511E-03 ppm1 3.461 ppm2 0.989   
 ASSIs {985} 56 HB2 82 HD2% 4.200 2.200 1.800 peak 985 volume 0.36079E-03 ppm1 2.787 ppm2 0.995   
 ASSIs {492} 58 HB 78 HG2% 3.900 1.900 1.900 peak 492 volume 0.65665E-03 ppm1 2.142 ppm2 0.880   
 ASSI  {1648} 58 HB 81 HB% 3.300 1.400 1.400 peak 1648 volume 0.24756E-02 ppm1 2.141 ppm2 1.638   
 ASSIs {253} 58 HG2% 81 HB% 2.400 0.700 0.700 peak 253 volume 0.62512E-02 ppm1 0.970 ppm2 1.640   
 ASSI  {314} 58 HG1% 81 HB% 3.000 1.100 1.100 peak 314 volume 0.38024E-02 ppm1 0.933 ppm2 1.642   
 ASSI  {1662} 58 HB 82 HA 4.800 2.800 1.200 peak 1662 volume 0.99101E-04 ppm1 2.141 ppm2 4.229   
 ASSI  {340} 58 HG1% 82 HA 4.200 2.200 1.800 peak 340 volume 0.39536E-03 ppm1 0.933 ppm2 4.217   
 ASSI  {530} 58 HG1% 82 HG 3.400 1.500 1.500 peak 530 volume 0.10835E-02 ppm1 0.932 ppm2 1.839   
 ASSI  {1934} 60 HB 65 HB% 3.700 1.700 1.700 peak 1934 volume 0.84098E-03 ppm1 1.793 ppm2 1.401   
 ASSIs {2638} 60 HD1% 65 HA 5.100 3.200 0.900 peak 2638 volume 0.19561E-03 ppm1 0.861 ppm2 3.967   
 ASSIs {498} 60 HG2% 65 HB% 2.600 0.800 0.800 peak 498 volume 0.39435E-02 ppm1 1.041 ppm2 1.394   
 ASSI  {59} 60 HD1% 78 HA 3.400 1.400 1.400 peak 59 volume 0.18352E-02 ppm1 0.852 ppm2 3.761   
 ASSIs {1426} 68 HA 73 HB1 4.000 2.000 2.000 peak 1426 volume 0.41276E-03 ppm1 4.432 ppm2 2.474   
 ASSIs {1443} 68 HG2% 73 HB1 5.700 4.100 0.300 peak 1443 volume 0.30499E-03 ppm1 1.247 ppm2 2.476   
 ASSIs {1444} 68 HG1% 73 HB1 3.000 1.100 1.100 peak 1444 volume 0.99402E-03 ppm1 1.149 ppm2 2.476   
 ASSIs {1445} 68 HG2% 73 HB2 4.800 2.800 1.200 peak 1445 volume 0.45890E-03 ppm1 1.257 ppm2 2.281   
 ASSIs {1446} 68 HG1% 73 HB2 3.200 1.200 1.200 peak 1446 volume 0.15949E-02 ppm1 1.155 ppm2 2.288   
 ASSIs {1734} 68 HA 73 HG2 5.300 3.500 0.700 peak 1734 volume 0.24470E-03 ppm1 4.443 ppm2 2.492   
 ASSIs {1755} 68 HG1% 73 HG2 5.100 3.200 0.900 peak 1755 volume 0.53918E-03 ppm1 1.153 ppm2 2.486   
 ASSI  {3045} 68 HA 73 HB2 3.200 1.300 1.300 peak 3045 volume 0.12954E-02 ppm1 4.438 ppm2 2.288   
 ASSIs {407} 68 HG1% 73 HN 5.000 3.100 1.000 peak 407 volume 0.46743E-03 ppm1 1.157 ppm2 7.842   
 ASSI  {543} 68 HG2% 73 HN 6.000 5.300 0.000 peak 543 volume 0.10301E-03 ppm1 1.251 ppm2 7.842   
 ASSI  {1621} 68 HB 74 HN 4.000 2.000 2.000 peak 1621 volume 0.27785E-03 ppm1 2.427 ppm2 7.700   
 ASSIs {2077} 68 HG2% 74 HB1 4.600 2.600 1.400 peak 2077 volume 0.63582E-03 ppm1 1.250 ppm2 2.438   
 ASSI  {289} 68 HN 74 HD2% 4.800 2.900 1.200 peak 289 volume 0.39615E-03 ppm1 7.245 ppm2 1.064  
   OR  {289} 68 HN 74 HD1%   
 ASSI  {308} 68 HG2% 74 HD2% 2.700 0.900 0.900 peak 308 volume 0.52185E-02 ppm1 1.250 ppm2 1.059  
   OR  {308} 68 HG2% 74 HD1%   
 ASSI  {313} 68 HG2% 74 HB2 2.400 0.700 0.700 peak 313 volume 0.31530E-02 ppm1 1.249 ppm2 1.720   
 ASSI  {328} 68 HG2% 74 HA 3.300 1.300 1.300 peak 328 volume 0.19868E-02 ppm1 1.250 ppm2 4.323   
 ASSI  {351} 68 HG2% 74 HN 4.100 2.100 1.900 peak 351 volume 0.73796E-03 ppm1 1.250 ppm2 7.696   
 ASSI  {715} 68 HG1% 74 HB2 2.700 0.900 0.900 peak 715 volume 0.28975E-02 ppm1 1.158 ppm2 1.725   
 ASSI  {765} 68 HG1% 74 HA 2.400 0.700 0.700 peak 765 volume 0.41166E-02 ppm1 1.158 ppm2 4.323   
 ASSI  {794} 68 HG1% 74 HN 3.600 1.600 1.600 peak 794 volume 0.89368E-03 ppm1 1.160 ppm2 7.695   
 ASSI  {356} 68 HG2% 75 HN 5.900 4.300 0.100 peak 356 volume 0.15872E-03 ppm1 1.253 ppm2 8.740   
 ASSI  {312} 68 HG2% 77 HG 4.200 2.200 1.800 peak 312 volume 0.52872E-03 ppm1 1.249 ppm2 1.833   
 ASSI  {418} 68 HG1% 77 HN 4.300 2.300 1.700 peak 418 volume 0.41485E-03 ppm1 1.157 ppm2 8.015   
 ASSI  {725} 68 HG1% 77 HB2 3.100 1.200 1.200 peak 725 volume 0.12162E-02 ppm1 1.157 ppm2 1.907   
 ASSI  {726} 68 HG1% 77 HG 3.600 1.600 1.600 peak 726 volume 0.81431E-03 ppm1 1.156 ppm2 1.826   
 ASSI  {1245} 5 HG 9 HB2 5.100 3.200 0.900 peak 1245 volume 0.37026E-03 ppm1 1.584 ppm2 2.730   
 ASSIs {2014} 5 HD2% 9 HB2 3.200 1.300 1.300 peak 2014 volume 0.23552E-02 ppm1 0.673 ppm2 2.720   
 ASSI  {2214} 5 HB1 9 HB1 3.400 1.400 1.400 peak 2214 volume 0.85174E-03 ppm1 1.612 ppm2 3.055   
 ASSI  {2609} 5 HA 9 HB1 3.500 1.500 1.500 peak 2609 volume 0.11768E-02 ppm1 4.538 ppm2 3.053   
 ASSIs {2796} 5 HD2% 9 HA 4.600 2.600 1.400 peak 2796 volume 0.41614E-03 ppm1 0.674 ppm2 4.574   
 ASSIs {721} 5 HD2% 9 HN 5.200 3.400 0.800 peak 721 volume 0.33913E-03 ppm1 0.676 ppm2 7.903   
 ASSI  {920} 5 HD2% 9 HB1 3.000 1.100 1.100 peak 920 volume 0.18118E-02 ppm1 0.683 ppm2 3.052   
 ASSI  {319} 6 HN 10 HN 3.600 1.600 1.600 peak 319 volume 0.49898E-03 ppm1 8.995 ppm2 8.097   
 ASSI  {318} 6 HN 8 HN 4.300 2.400 1.700 peak 318 volume 0.41192E-03 ppm1 8.996 ppm2 8.275   
 ASSI  {381} 6 HG2% 8 HN 4.700 2.800 1.300 peak 381 volume 0.62468E-03 ppm1 1.430 ppm2 8.283   
 ASSIs {2044} 6 HN 9 HB2 2.600 0.900 0.900 peak 2044 volume 0.19261E-02 ppm1 8.997 ppm2 2.723   
 ASSI  {304} 6 HN 9 HN 3.600 1.600 1.600 peak 304 volume 0.85242E-03 ppm1 8.996 ppm2 7.910   
 ASSI  {310} 6 HN 9 HB1 3.100 1.200 1.200 peak 310 volume 0.30089E-02 ppm1 8.996 ppm2 3.053   
 ASSI  {588} 6 HG2% 9 HN 4.800 2.800 1.200 peak 588 volume 0.45774E-03 ppm1 1.429 ppm2 7.903   
 ASSI  {624} 6 HG2% 9 HB1 5.000 3.100 1.000 peak 624 volume 0.40068E-03 ppm1 1.435 ppm2 3.055   
 ASSIs {723} 6 HB 9 HN 4.600 2.600 1.400 peak 723 volume 0.39798E-03 ppm1 4.874 ppm2 7.904   
 ASSI  {3284} 7 HA 10 HD2% 3.400 1.400 1.400 peak 3284 volume 0.11951E-02 ppm1 3.882 ppm2 1.141   
 ASSI  {3289} 7 HA 10 HB1 2.700 0.900 0.900 peak 3289 volume 0.22868E-02 ppm1 3.881 ppm2 2.354   
 ASSI  {3292} 7 HA 10 HG 5.100 3.300 0.900 peak 3292 volume 0.22303E-03 ppm1 3.880 ppm2 1.906   
 ASSI  {3301} 7 HA 10 HN 3.500 1.500 1.500 peak 3301 volume 0.96254E-03 ppm1 3.881 ppm2 8.100   
 ASSIs {614} 7 HA 11 HN 3.800 1.800 1.800 peak 614 volume 0.52555E-03 ppm1 3.876 ppm2 8.844   
 ASSI  {3302} 7 HA 9 HN 4.700 2.800 1.300 peak 3302 volume 0.23711E-03 ppm1 3.883 ppm2 7.916   
 ASSIs {2314} 8 HA 11 HD2 4.600 2.600 1.400 peak 2314 volume 0.34859E-03 ppm1 4.636 ppm2 3.182   
 ASSI  {2776} 8 HA 11 HB1 2.500 0.800 0.800 peak 2776 volume 0.41049E-02 ppm1 4.639 ppm2 2.064  
   OR  {2776} 8 HA 11 HB2   
 ASSIs {3022} 8 HA 11 HA 5.000 3.200 1.000 peak 3022 volume 0.39360E-03 ppm1 4.638 ppm2 3.526   
 ASSIs {613} 8 HA 11 HN 3.200 1.300 1.300 peak 613 volume 0.15213E-02 ppm1 4.639 ppm2 8.843   
 ASSI  {2757} 8 HA 12 HN 4.300 2.300 1.700 peak 2757 volume 0.44912E-03 ppm1 4.645 ppm2 7.993   
 ASSIs {2307} 9 HA 12 HD1 3.300 3.300 2.700 peak 2307 volume 0.43087E-03 ppm1 4.568 ppm2 3.385   
 ASSIs {343} 9 HA 12 HN 3.300 1.400 1.400 peak 343 volume 0.10210E-02 ppm1 4.574 ppm2 7.990   
 ASSI  {2760} 9 HA 13 HN 4.100 2.100 1.900 peak 2760 volume 0.45386E-03 ppm1 4.573 ppm2 7.723   
 ASSI  {2801} 10 HA 13 HN 3.100 1.200 1.200 peak 2801 volume 0.13486E-02 ppm1 4.225 ppm2 7.723   
 ASSI  {2828} 10 HA 13 HB% 2.700 0.900 0.900 peak 2828 volume 0.28772E-02 ppm1 4.222 ppm2 1.681   
 ASSI  {3028} 11 HA 13 HN 4.300 2.300 1.700 peak 3028 volume 0.25281E-03 ppm1 3.524 ppm2 7.719   
 ASSIs {1047} 11 HA 14 HD2% 3.100 1.200 1.200 peak 1047 volume 0.15795E-02 ppm1 3.524 ppm2 0.918   
 ASSIs {2136} 11 HA 14 HB1 4.100 2.100 1.900 peak 2136 volume 0.10997E-02 ppm1 3.526 ppm2 2.008   
 ASSI  {3025} 11 HA 14 HN 3.200 1.300 1.300 peak 3025 volume 0.10403E-02 ppm1 3.524 ppm2 8.423   
 ASSIs {751} 11 HA 14 HD1% 4.500 2.500 1.500 peak 751 volume 0.21421E-03 ppm1 3.524 ppm2 0.779   
 ASSIs {658} 11 HA 15 HG2% 4.000 2.000 2.000 peak 658 volume 0.53699E-03 ppm1 3.524 ppm2 1.131   
 ASSIs {659} 11 HD2 15 HG2% 4.100 2.100 1.900 peak 659 volume 0.49616E-03 ppm1 3.201 ppm2 1.132   
 ASSIs {738} 11 HA 15 HN 4.100 2.100 1.900 peak 738 volume 0.43756E-03 ppm1 3.523 ppm2 8.501   
 ASSI  {2975} 12 HA 14 HN 4.400 2.400 1.600 peak 2975 volume 0.26138E-03 ppm1 4.042 ppm2 8.409   
 ASSI  {2954} 12 HA 15 HG1% 4.200 2.200 1.800 peak 2954 volume 0.96030E-03 ppm1 4.039 ppm2 1.052   
 ASSI  {2955} 12 HA 15 HB 2.500 0.800 0.800 peak 2955 volume 0.34523E-02 ppm1 4.041 ppm2 2.282   
 ASSI  {2974} 12 HA 15 HN 3.300 1.300 1.300 peak 2974 volume 0.11042E-02 ppm1 4.041 ppm2 8.501   
 ASSIs {651} 12 HN 15 HG2% 3.700 1.700 1.700 peak 651 volume 0.19393E-03 ppm1 7.991 ppm2 1.126   
 ASSIs {1751} 12 HG1 16 HG1 4.400 2.400 1.600 peak 1751 volume 0.26844E-03 ppm1 1.924 ppm2 2.632   
 ASSI  {2976} 12 HA 16 HN 4.100 2.100 1.900 peak 2976 volume 0.46399E-03 ppm1 4.039 ppm2 8.247   
 ASSIs {751} 13 HB% 15 HN 5.100 3.200 0.900 peak 751 volume 0.28004E-03 ppm1 1.674 ppm2 8.506   
 ASSIs {1731} 13 HA 16 HG1 3.900 1.900 1.900 peak 1731 volume 0.50234E-03 ppm1 4.416 ppm2 2.636   
 ASSI  {2588} 13 HA 16 HN 3.500 1.500 1.500 peak 2588 volume 0.83534E-03 ppm1 4.412 ppm2 8.242   
 ASSI  {2624} 13 HA 16 HB2 3.000 1.100 1.100 peak 2624 volume 0.10807E-02 ppm1 4.414 ppm2 2.164   
 ASSIs {263} 13 HB% 17 HN 4.400 2.500 1.600 peak 263 volume 0.31847E-03 ppm1 1.686 ppm2 7.810   
 ASSIs {1726} 14 HN 16 HG2 5.500 3.800 0.500 peak 1726 volume 0.12111E-03 ppm1 8.411 ppm2 2.406   
 ASSIs {3163} 14 HD1% 17 HB1 5.600 4.000 0.400 peak 3163 volume 0.10517E-03 ppm1 0.774 ppm2 4.154   
 ASSIs {3164} 14 HD1% 17 HB2 5.300 3.500 0.700 peak 3164 volume 0.15377E-03 ppm1 0.765 ppm2 4.067   
 ASSIs {252} 15 HN 17 HN 3.800 1.800 1.800 peak 252 volume 0.70015E-03 ppm1 8.514 ppm2 7.809   
 ASSIs {532} 15 HA 18 HB% 2.800 1.000 1.000 peak 532 volume 0.29087E-02 ppm1 3.934 ppm2 1.554   
 ASSIs {943} 15 HA 18 HN 3.500 1.500 1.500 peak 943 volume 0.77821E-03 ppm1 3.936 ppm2 7.811   
 ASSIs {93} 15 HA 19 HN 3.800 1.800 1.800 peak 93 volume 0.58570E-03 ppm1 3.939 ppm2 8.243   
 ASSIs {148} 21 HG2% 23 HN 3.200 3.200 2.800 peak 148 volume 0.48559E-03 ppm1 1.260 ppm2 8.498   
 ASSIs {371} 22 HB1 24 HN 3.300 1.400 1.400 peak 371 volume 0.40417E-03 ppm1 2.844 ppm2 8.154  
   ORs {371} 22 HB2 24 HN   
 ASSI  {3353} 24 HB 26 HD1% 4.100 2.100 1.900 peak 3353 volume 0.39939E-03 ppm1 4.241 ppm2 0.702   
 ASSI  {629} 24 HG2% 26 HD1% 3.200 1.300 1.300 peak 629 volume 0.16281E-02 ppm1 1.297 ppm2 0.699   
 ASSIs {335} 25 HA 27 HN 4.200 2.200 1.800 peak 335 volume 0.59684E-03 ppm1 4.726 ppm2 8.208   
 ASSI  {2535} 26 HA 28 HN 4.300 2.300 1.700 peak 2535 volume 0.53319E-03 ppm1 4.381 ppm2 8.586   
 ASSI  {1086} 26 HD2% 30 HD% 3.800 1.800 1.800 peak 1086 volume 0.62974E-03 ppm1 0.813 ppm2 7.332  
   OR  {1086} 26 HD2% 30 HZ   
 ASSIs {1918} 26 HD1% 30 HB2 3.000 1.100 1.100 peak 1918 volume 0.13501E-02 ppm1 0.709 ppm2 3.017   
 ASSI  {2540} 26 HA 30 HD% 3.900 1.900 1.900 peak 2540 volume 0.88682E-03 ppm1 4.377 ppm2 7.327   
 ASSI  {2542} 26 HA 30 HB1 3.300 1.300 1.300 peak 2542 volume 0.82945E-03 ppm1 4.374 ppm2 3.304   
 ASSI  {2543} 26 HA 30 HB2 3.500 1.500 1.500 peak 2543 volume 0.14175E-02 ppm1 4.376 ppm2 3.014   
 ASSI  {748} 26 HD1% 30 HB1 2.900 1.000 1.000 peak 748 volume 0.22102E-02 ppm1 0.711 ppm2 3.303   
 ASSI  {784} 26 HD1% 30 HD% 2.900 1.000 1.000 peak 784 volume 0.20415E-02 ppm1 0.711 ppm2 7.323   
 ASSI  {332} 27 HN 30 HB2 5.200 3.400 0.800 peak 332 volume 0.21691E-03 ppm1 8.208 ppm2 3.014   
 ASSI  {180} 28 HN 30 HD% 3.800 1.800 1.800 peak 180 volume 0.45439E-03 ppm1 8.581 ppm2 7.321   
 ASSI  {2385} 28 HA1 30 HD% 4.600 2.700 1.400 peak 2385 volume 0.21889E-03 ppm1 4.250 ppm2 7.332   
 ASSIs {558} 29 HA 31 HN 3.600 1.600 1.600 peak 558 volume 0.10865E-02 ppm1 4.862 ppm2 7.538   
 ASSIs {1140} 30 HA 33 HG 3.500 1.600 1.600 peak 1140 volume 0.10099E-02 ppm1 4.770 ppm2 1.798   
 ASSI  {1924} 30 HB1 33 HG 5.000 3.100 1.000 peak 1924 volume 0.80054E-03 ppm1 3.302 ppm2 1.792  
   OR  {1924} 30 HB1 33 HB1   
 ASSI  {3587} 30 HD% 33 HB1 5.200 3.400 0.800 peak 3587 volume 0.16845E-03 ppm1 7.324 ppm2 1.799  
   OR  {3587} 30 HD% 33 HB1  
   OR  {3587} 30 HD% 33 HG  
   OR  {3587} 30 HD% 33 HG   
 ASSIs {641} 30 HA 33 HD1% 3.900 1.900 1.900 peak 641 volume 0.49066E-03 ppm1 4.759 ppm2 0.968   
 ASSIs {851} 30 HA 33 HN 3.600 1.600 1.600 peak 851 volume 0.61397E-03 ppm1 4.769 ppm2 7.226   
 ASSIs {973} 30 HD% 33 HD2% 4.500 2.500 1.500 peak 973 volume 0.48389E-03 ppm1 7.330 ppm2 1.083   
 ASSIs {976} 30 HA 33 HD2% 3.100 1.200 1.200 peak 976 volume 0.23467E-02 ppm1 4.772 ppm2 1.083   
 ASSIs {854} 31 HN 33 HN 4.000 2.000 2.000 peak 854 volume 0.61879E-03 ppm1 7.523 ppm2 7.227   
 ASSIs {457} 34 HA 36 HN 4.600 2.600 1.400 peak 457 volume 0.37521E-03 ppm1 4.749 ppm2 9.541   
 ASSIs {465} 34 HG1 36 HN 5.000 3.100 1.000 peak 465 volume 0.43980E-03 ppm1 1.956 ppm2 9.540   
 ASSIs {466} 34 HB2 36 HN 3.900 1.900 1.900 peak 466 volume 0.76808E-03 ppm1 1.870 ppm2 9.540   
 ASSIs {467} 34 HG2 36 HN 5.100 3.200 0.900 peak 467 volume 0.32600E-03 ppm1 1.619 ppm2 9.542   
 ASSIs {2019} 34 HB2 37 HB1 3.800 1.800 1.800 peak 2019 volume 0.54108E-03 ppm1 1.879 ppm2 3.098   
 ASSIs {2020} 34 HB2 37 HB2 3.100 1.200 1.200 peak 2020 volume 0.70857E-03 ppm1 1.878 ppm2 3.005   
 ASSIs {2021} 34 HB1 37 HB1 5.700 4.100 0.300 peak 2021 volume 0.21195E-03 ppm1 2.171 ppm2 3.090   
 ASSIs {2040} 34 HN 37 HB2 3.800 1.800 1.800 peak 2040 volume 0.60156E-03 ppm1 8.487 ppm2 3.001   
 ASSI  {389} 34 HN 37 HB1 3.400 1.400 1.400 peak 389 volume 0.88843E-03 ppm1 8.487 ppm2 3.101   
 ASSI  {393} 34 HN 37 HN 4.600 2.600 1.400 peak 393 volume 0.33465E-03 ppm1 8.489 ppm2 7.538   
 ASSIs {532} 34 HB2 37 HN 2.700 0.900 0.900 peak 532 volume 0.19827E-02 ppm1 1.868 ppm2 7.533   
 ASSI  {3092} 35 HA 37 HN 4.100 2.100 1.900 peak 3092 volume 0.44244E-03 ppm1 4.393 ppm2 7.530   
 ASSI  {968} 35 HN 37 HN 4.300 2.300 1.700 peak 968 volume 0.41532E-03 ppm1 8.452 ppm2 7.531   
 ASSIs {1212} 35 HD% 38 HG11 4.700 2.800 1.300 peak 1212 volume 0.46119E-03 ppm1 7.131 ppm2 1.829   
 ASSIs {1220} 35 HD% 38 HG12 4.700 2.800 1.300 peak 1220 volume 0.40230E-03 ppm1 7.132 ppm2 1.569   
 ASSIs {173} 35 HA 38 HD1% 2.500 0.800 0.800 peak 173 volume 0.30520E-02 ppm1 4.391 ppm2 0.893   
 ASSI  {1818} 35 HB1 38 HD1% 4.600 2.700 1.400 peak 1818 volume 0.24575E-03 ppm1 3.616 ppm2 0.890   
 ASSI  {1819} 35 HB2 38 HD1% 6.000 4.500 0.000 peak 1819 volume 0.21530E-03 ppm1 3.115 ppm2 0.891   
 ASSIs {1845} 35 HA 38 HB 4.600 2.700 1.400 peak 1845 volume 0.87052E-03 ppm1 4.389 ppm2 2.472   
 ASSIs {221} 35 HA 38 HN 3.800 1.800 1.800 peak 221 volume 0.12823E-02 ppm1 4.384 ppm2 7.732   
 ASSIs {281} 35 HA 38 HG2% 4.600 2.600 1.400 peak 281 volume 0.51421E-03 ppm1 4.396 ppm2 1.079   
 ASSIs {31} 35 HN 38 HD1% 4.800 2.900 1.200 peak 31 volume 0.40443E-03 ppm1 8.462 ppm2 0.891   
 ASSI  {3106} 35 HA 38 HG12 2.100 0.500 0.500 peak 3106 volume 0.36518E-02 ppm1 4.396 ppm2 1.568   
 ASSI  {3107} 35 HA 38 HG11 3.000 1.200 1.200 peak 3107 volume 0.30423E-02 ppm1 4.396 ppm2 1.831   
 ASSI  {3520} 35 HD% 38 HG11 4.900 3.000 1.100 peak 3520 volume 0.37163E-03 ppm1 7.133 ppm2 1.833  
   OR  {3520} 35 HD% 38 HG11   
 ASSIs {41} 35 HD% 38 HD1% 2.700 0.900 0.900 peak 41 volume 0.21265E-02 ppm1 7.133 ppm2 0.893   
 ASSIs {81} 36 HA 39 HN 3.600 1.600 1.600 peak 81 volume 0.85290E-03 ppm1 4.362 ppm2 7.737   
 ASSIs {864} 36 HA 40 HN 3.000 1.100 1.100 peak 864 volume 0.16173E-02 ppm1 4.366 ppm2 8.084   
 ASSI  {1195} 38 HG11 40 HB2 3.100 1.200 1.200 peak 1195 volume 0.42745E-03 ppm1 1.830 ppm2 2.812   
 ASSI  {1196} 38 HG11 40 HB1 4.700 2.800 1.300 peak 1196 volume 0.56249E-03 ppm1 1.828 ppm2 3.008   
 ASSI  {1221} 38 HG12 40 HD% 4.500 2.600 1.500 peak 1221 volume 0.70706E-03 ppm1 1.569 ppm2 6.980   
 ASSI  {1843} 38 HB 40 HD% 4.100 2.100 1.900 peak 1843 volume 0.48257E-03 ppm1 2.475 ppm2 6.979   
 ASSI  {218} 38 HN 40 HN 4.100 2.100 1.900 peak 218 volume 0.74920E-03 ppm1 7.728 ppm2 8.074   
 ASSI  {276} 38 HG2% 40 HD% 5.500 3.700 0.500 peak 276 volume 0.38078E-03 ppm1 1.080 ppm2 6.969   
 ASSI  {277} 38 HG2% 40 HE% 5.200 3.400 0.800 peak 277 volume 0.31104E-03 ppm1 1.082 ppm2 6.745   
 ASSIs {3393} 38 HD1% 40 HE% 3.200 1.300 1.300 peak 3393 volume 0.14627E-02 ppm1 0.894 ppm2 6.737   
 ASSIs {3405} 38 HG11 40 HE% 3.900 1.900 1.900 peak 3405 volume 0.93018E-03 ppm1 1.827 ppm2 6.736   
 ASSIs {3562} 38 HD1% 40 HD% 3.100 1.200 1.200 peak 3562 volume 0.16145E-02 ppm1 0.894 ppm2 6.977  
   ORs {3562} 38 HD1% 40 HD%   
 ASSIs {3571} 38 HG11 40 HD% 2.600 0.900 0.900 peak 3571 volume 0.15160E-02 ppm1 1.831 ppm2 6.976   
 ASSIs {3572} 38 HB 40 HD% 4.200 2.200 1.800 peak 3572 volume 0.39765E-03 ppm1 2.472 ppm2 6.975  
   ORs {3572} 38 HB 40 HD%   
 ASSI  {42} 38 HD1% 40 HD% 3.000 1.100 1.100 peak 42 volume 0.21471E-02 ppm1 0.892 ppm2 6.975   
 ASSI  {67} 38 HD1% 40 HB2 3.100 1.200 1.200 peak 67 volume 0.11441E-02 ppm1 0.893 ppm2 2.804   
 ASSIs {837} 38 HG11 40 HN 3.000 1.100 1.100 peak 837 volume 0.13158E-02 ppm1 1.831 ppm2 8.083   
 ASSIs {868} 38 HG12 40 HN 4.000 2.000 2.000 peak 868 volume 0.57538E-03 ppm1 1.559 ppm2 8.081   
 ASSIs {273} 40 HD% 44 HB% 2.800 1.000 1.000 peak 273 volume 0.28553E-02 ppm1 6.979 ppm2 1.528   
 ASSIs {274} 40 HE% 44 HB% 3.200 1.300 1.300 peak 274 volume 0.14326E-02 ppm1 6.737 ppm2 1.529   
 ASSIs {299} 40 HB1 44 HB% 3.900 1.900 1.900 peak 299 volume 0.50044E-03 ppm1 3.006 ppm2 1.531   
 ASSIs {894} 41 HB1 43 HN 3.400 1.400 1.400 peak 894 volume 0.81246E-03 ppm1 3.210 ppm2 7.805   
 ASSIs {911} 41 HB2 43 HN 3.900 1.900 1.900 peak 911 volume 0.49908E-03 ppm1 2.836 ppm2 7.806   
 ASSI  {1045} 41 HN 44 HB% 2.800 1.000 1.000 peak 1045 volume 0.27984E-02 ppm1 8.041 ppm2 1.531   
 ASSIs {264} 41 HB2 44 HB% 3.000 1.100 1.100 peak 264 volume 0.21527E-02 ppm1 2.824 ppm2 1.529   
 ASSIs {298} 41 HB1 44 HB% 3.300 1.400 1.400 peak 298 volume 0.38166E-03 ppm1 3.215 ppm2 1.533   
 ASSIs {512} 41 HA 44 HB% 5.500 3.800 0.500 peak 512 volume 0.16180E-03 ppm1 4.720 ppm2 1.528   
 ASSIs {938} 41 HB2 44 HN 3.400 1.500 1.500 peak 938 volume 0.48979E-03 ppm1 2.838 ppm2 8.063   
 ASSI  {3058} 42 HA 44 HN 4.700 2.800 1.300 peak 3058 volume 0.25366E-03 ppm1 4.202 ppm2 8.070   
 ASSIs {2061} 42 HA 45 HB1 2.700 0.900 0.900 peak 2061 volume 0.14802E-02 ppm1 4.195 ppm2 1.657   
 ASSI  {3056} 42 HA 45 HN 3.500 1.600 1.600 peak 3056 volume 0.10481E-02 ppm1 4.197 ppm2 8.428   
 ASSI  {3065} 42 HA 45 HB2 2.800 1.000 1.000 peak 3065 volume 0.21257E-02 ppm1 4.196 ppm2 1.556   
 ASSI  {3067} 42 HA 45 HD1% 5.000 3.100 1.000 peak 3067 volume 0.41164E-03 ppm1 4.197 ppm2 0.211   
 ASSI  {3078} 42 HB2 45 HD1% 6.000 5.200 0.000 peak 3078 volume 0.12633E-03 ppm1 4.012 ppm2 0.219   
 ASSI  {3079} 42 HB1 45 HD1% 6.000 5.700 0.000 peak 3079 volume 0.87534E-04 ppm1 4.064 ppm2 0.206   
 ASSI  {3112} 42 HB1 45 HB2 5.800 4.200 0.200 peak 3112 volume 0.19273E-03 ppm1 4.061 ppm2 1.554   
 ASSI  {3113} 42 HB2 45 HB2 5.400 3.600 0.600 peak 3113 volume 0.30576E-03 ppm1 4.010 ppm2 1.551   
 ASSI  {3117} 42 HB1 45 HB1 6.000 4.800 0.000 peak 3117 volume 0.12218E-03 ppm1 4.055 ppm2 1.656   
 ASSI  {3118} 42 HB2 45 HB1 5.800 4.200 0.200 peak 3118 volume 0.82838E-04 ppm1 4.006 ppm2 1.655   
 ASSI  {3122} 42 HB1 45 HD2% 5.200 3.400 0.800 peak 3122 volume 0.16873E-03 ppm1 4.061 ppm2 0.397   
 ASSI  {3136} 42 HB2 45 HD2% 6.000 4.500 0.000 peak 3136 volume 0.62185E-04 ppm1 4.003 ppm2 0.394   
 ASSIs {427} 42 HA 45 HD2% 3.100 1.200 1.200 peak 427 volume 0.15940E-02 ppm1 4.192 ppm2 0.393   
 ASSI  {3057} 42 HA 46 HN 5.000 3.100 1.000 peak 3057 volume 0.23312E-03 ppm1 4.195 ppm2 8.343   
 ASSIs {889} 43 HN 45 HN 3.800 1.800 1.800 peak 889 volume 0.49582E-03 ppm1 7.804 ppm2 8.422   
 ASSI  {2629} 44 HA 47 HG1 4.800 2.900 1.200 peak 2629 volume 0.55198E-03 ppm1 4.338 ppm2 2.590   
 ASSI  {2630} 44 HA 47 HG2 4.300 2.300 1.700 peak 2630 volume 0.68492E-03 ppm1 4.336 ppm2 2.468   
 ASSI  {2631} 44 HA 47 HB1 2.800 1.000 1.000 peak 2631 volume 0.27852E-02 ppm1 4.335 ppm2 2.348   
 ASSI  {2632} 44 HA 47 HB2 3.000 1.100 1.100 peak 2632 volume 0.19277E-02 ppm1 4.335 ppm2 2.224   
 ASSIs {795} 44 HA 47 HN 3.000 1.100 1.100 peak 795 volume 0.20025E-02 ppm1 4.339 ppm2 8.416   
 ASSI  {2854} 45 HA 48 HB 2.700 0.900 0.900 peak 2854 volume 0.29770E-02 ppm1 3.909 ppm2 4.431   
 ASSIs {566} 45 HD1% 48 HG2% 4.000 2.000 2.000 peak 566 volume 0.52808E-03 ppm1 0.205 ppm2 1.135   
 ASSIs {567} 45 HD2% 48 HG2% 3.100 3.100 2.900 peak 567 volume 0.50234E-03 ppm1 0.401 ppm2 1.135   
 ASSIs {1022} 45 HD2% 49 HN 4.600 2.600 1.400 peak 1022 volume 0.31882E-03 ppm1 0.391 ppm2 8.757   
 ASSIs {1023} 45 HD1% 49 HN 5.300 3.500 0.700 peak 1023 volume 0.11461E-03 ppm1 0.211 ppm2 8.758   
 ASSIs {222} 45 HD2% 49 HB% 4.100 2.100 1.900 peak 222 volume 0.46135E-03 ppm1 0.386 ppm2 1.541   
 ASSIs {223} 45 HD1% 49 HB% 4.300 2.300 1.700 peak 223 volume 0.31530E-03 ppm1 0.217 ppm2 1.543   
 ASSIs {994} 45 HA 49 HN 4.200 2.200 1.800 peak 994 volume 0.44253E-03 ppm1 3.886 ppm2 8.757   
 ASSI  {1374} 47 HB2 50 HB% 5.500 3.800 0.500 peak 1374 volume 0.18816E-03 ppm1 2.229 ppm2 1.655   
 ASSI  {1702} 47 HG1 50 HB% 4.400 2.400 1.600 peak 1702 volume 0.33652E-03 ppm1 2.587 ppm2 1.669   
 ASSI  {1701} 47 HG1 51 HG2 4.400 2.500 1.600 peak 1701 volume 0.31872E-03 ppm1 2.590 ppm2 1.764   
 ASSIs {2590} 48 HN 50 HA 5.600 3.900 0.400 peak 2590 volume 0.17510E-03 ppm1 8.311 ppm2 4.281   
 ASSIs {2305} 48 HA 51 HD1 4.100 2.100 1.900 peak 2305 volume 0.28540E-03 ppm1 3.964 ppm2 3.451   
 ASSIs {2312} 48 HA 51 HD2 3.800 1.800 1.800 peak 2312 volume 0.44726E-03 ppm1 3.974 ppm2 3.316   
 ASSI  {3324} 48 HA 51 HN 3.200 1.300 1.300 peak 3324 volume 0.11760E-02 ppm1 3.961 ppm2 8.154   
 ASSI  {368} 48 HG2% 51 HN 4.200 2.200 1.800 peak 368 volume 0.43872E-03 ppm1 1.136 ppm2 8.157   
 ASSI  {1012} 49 HN 52 HD1% 4.900 3.000 1.100 peak 1012 volume 0.30701E-03 ppm1 8.756 ppm2 0.879   
 ASSI  {1014} 49 HN 52 HB1 5.000 3.100 1.000 peak 1014 volume 0.39792E-03 ppm1 8.757 ppm2 2.229   
 ASSIs {1049} 49 HA 52 HD1% 2.600 0.900 0.900 peak 1049 volume 0.25636E-02 ppm1 3.961 ppm2 0.877   
 ASSIs {2215} 49 HA 52 HB2 2.900 1.000 1.000 peak 2215 volume 0.86463E-03 ppm1 3.965 ppm2 1.458   
 ASSI  {2673} 49 HA 52 HN 3.300 1.300 1.300 peak 2673 volume 0.11730E-02 ppm1 3.964 ppm2 8.437   
 ASSI  {2679} 49 HA 52 HB1 3.800 1.800 1.800 peak 2679 volume 0.22212E-02 ppm1 3.963 ppm2 2.228   
 ASSI  {2680} 49 HA 52 HG 3.500 1.500 1.500 peak 2680 volume 0.79723E-03 ppm1 3.966 ppm2 2.062   
 ASSIs {1637} 49 HB% 53 HG1 4.100 2.100 1.900 peak 1637 volume 0.28063E-03 ppm1 1.523 ppm2 2.747   
 ASSI  {2677} 49 HA 53 HN 4.200 2.200 1.800 peak 2677 volume 0.45530E-03 ppm1 3.961 ppm2 8.997   
 ASSI  {2678} 49 HA 53 HG1 4.200 2.200 1.800 peak 2678 volume 0.27227E-03 ppm1 3.967 ppm2 2.752   
 ASSI  {2589} 50 HA 52 HN 4.100 2.100 1.900 peak 2589 volume 0.39959E-03 ppm1 4.283 ppm2 8.413   
 ASSIs {1373} 50 HB% 53 HB2 4.600 2.700 1.400 peak 1373 volume 0.40050E-03 ppm1 1.664 ppm2 2.366   
 ASSI  {2619} 50 HA 53 HB1 3.900 1.900 1.900 peak 2619 volume 0.21794E-02 ppm1 4.281 ppm2 2.516   
 ASSI  {2620} 50 HA 53 HB2 2.500 0.800 0.800 peak 2620 volume 0.31628E-02 ppm1 4.281 ppm2 2.374   
 ASSI  {2621} 50 HA 53 HG1 3.300 1.400 1.400 peak 2621 volume 0.94882E-03 ppm1 4.280 ppm2 2.751   
 ASSIs {610} 50 HA 53 HN 3.100 1.200 1.200 peak 610 volume 0.17023E-02 ppm1 4.285 ppm2 8.991  
   ORs {610} 23 HA1 24 HG2%   
 ASSIs {632} 50 HB% 53 HN 4.500 2.600 1.500 peak 632 volume 0.43259E-03 ppm1 1.665 ppm2 8.992   
 ASSIs {217} 50 HN 54 HN 2.800 2.800 3.200 peak 217 volume 0.10283E-02 ppm1 8.197 ppm2 8.030   
 ASSI  {2594} 50 HA 54 HN 3.900 1.900 1.900 peak 2594 volume 0.59640E-03 ppm1 4.280 ppm2 8.028   
 ASSI  {2943} 51 HA 54 HN 2.900 1.100 1.100 peak 2943 volume 0.18094E-02 ppm1 4.257 ppm2 8.038   
 ASSIs {3145} 51 HA 54 HB2 2.600 0.900 0.900 peak 3145 volume 0.39299E-02 ppm1 4.247 ppm2 4.122  
   ORs {3145} 51 HA 54 HB1   
 ASSIs {1504} 52 HA 55 HB2 3.800 1.800 1.800 peak 1504 volume 0.72857E-03 ppm1 4.344 ppm2 1.630   
 ASSIs {1505} 52 HA 55 HB1 3.000 1.100 1.100 peak 1505 volume 0.90040E-03 ppm1 4.329 ppm2 1.911   
 ASSI  {1075} 52 HD1% 56 HE% 4.800 2.900 1.200 peak 1075 volume 0.36630E-03 ppm1 0.875 ppm2 6.825   
 ASSI  {1079} 52 HD1% 56 HD% 5.000 3.100 1.000 peak 1079 volume 0.33108E-03 ppm1 0.878 ppm2 7.454   
 ASSI  {2233} 52 HB2 56 HD% 4.500 2.500 1.500 peak 2233 volume 0.62677E-03 ppm1 1.457 ppm2 7.452   
 ASSI  {2244} 52 HB1 56 HD% 3.800 1.800 1.800 peak 2244 volume 0.41547E-03 ppm1 2.225 ppm2 7.448   
 ASSI  {2858} 52 HA 56 HE% 3.500 1.500 1.500 peak 2858 volume 0.83062E-03 ppm1 4.330 ppm2 6.827   
 ASSI  {2863} 52 HA 56 HD% 2.500 0.800 0.800 peak 2863 volume 0.28871E-02 ppm1 4.330 ppm2 7.452   
 ASSIs {3389} 52 HD2% 56 HE% 2.300 0.600 0.600 peak 3389 volume 0.71222E-02 ppm1 1.047 ppm2 6.825  
   ORs {3389} 52 HD2% 56 HE%   
 ASSIs {3418} 52 HA 56 HE% 3.400 1.500 1.500 peak 3418 volume 0.86770E-03 ppm1 4.334 ppm2 6.826  
   ORs {3418} 52 HA 56 HE%   
 ASSIs {3423} 52 HB1 56 HE% 4.900 3.000 1.100 peak 3423 volume 0.13632E-03 ppm1 2.225 ppm2 6.818  
   ORs {3423} 52 HB1 56 HE%   
 ASSIs {3598} 52 HA 56 HD% 2.600 0.800 0.800 peak 3598 volume 0.21859E-02 ppm1 4.329 ppm2 7.449  
   ORs {3598} 52 HA 56 HD%   
 ASSIs {3602} 52 HB1 56 HD% 4.000 2.000 2.000 peak 3602 volume 0.32768E-03 ppm1 2.236 ppm2 7.446  
   ORs {3602} 52 HB1 56 HD%   
 ASSIs {3606} 52 HB2 56 HD% 4.200 2.200 1.800 peak 3606 volume 0.87660E-03 ppm1 1.447 ppm2 7.450  
   ORs {3606} 52 HB2 56 HD%   
 ASSI  {790} 52 HD2% 56 HE% 2.400 0.700 0.700 peak 790 volume 0.53236E-02 ppm1 1.054 ppm2 6.826   
 ASSI  {791} 52 HD2% 56 HD% 3.100 1.200 1.200 peak 791 volume 0.29885E-02 ppm1 1.054 ppm2 7.450   
 ASSI  {2988} 53 HA 56 HN 3.700 1.700 1.700 peak 2988 volume 0.54813E-03 ppm1 4.110 ppm2 8.183   
 ASSI  {3034} 54 HA 56 HN 4.300 2.300 1.700 peak 3034 volume 0.42880E-03 ppm1 4.398 ppm2 8.174   
 ASSI  {3147} 54 HB2 56 HN 4.900 3.000 1.100 peak 3147 volume 0.30217E-03 ppm1 4.123 ppm2 8.181  
   OR  {3147} 54 HB1 56 HN   
 ASSIs {162} 54 HA 57 HN 3.600 1.600 1.600 peak 162 volume 0.69480E-03 ppm1 4.397 ppm2 8.000   
 ASSI  {3033} 54 HA 58 HN 4.300 2.300 1.700 peak 3033 volume 0.37045E-03 ppm1 4.393 ppm2 7.498   
 ASSIs {207} 56 HB1 58 HN 4.700 2.800 1.300 peak 207 volume 0.31865E-03 ppm1 3.461 ppm2 7.509   
 ASSIs {208} 56 HB2 58 HN 3.600 1.600 1.600 peak 208 volume 0.59966E-03 ppm1 2.795 ppm2 7.516   
 ASSIs {323} 56 HB2 58 HG1% 2.800 1.000 1.000 peak 323 volume 0.15297E-02 ppm1 2.795 ppm2 0.933   
 ASSIs {324} 56 HB1 58 HG1% 3.800 1.800 1.800 peak 324 volume 0.98857E-03 ppm1 3.463 ppm2 0.934   
 ASSIs {349} 56 HN 58 HG1% 4.100 2.100 1.900 peak 349 volume 0.59480E-03 ppm1 8.181 ppm2 0.932   
 ASSI  {315} 58 HG1% 60 HG11 3.300 1.300 1.300 peak 315 volume 0.10939E-02 ppm1 0.932 ppm2 1.508   
 ASSI  {203} 60 HG2% 64 HN 4.200 2.200 1.800 peak 203 volume 0.52949E-03 ppm1 1.033 ppm2 7.395   
 ASSI  {210} 60 HG2% 64 HB 2.700 0.900 0.900 peak 210 volume 0.30383E-02 ppm1 1.031 ppm2 2.213   
 ASSI  {1548} 61 HB1 63 HN 3.600 1.600 1.600 peak 1548 volume 0.71918E-03 ppm1 2.565 ppm2 8.691   
 ASSIs {412} 61 HB2 63 HN 3.400 1.400 1.400 peak 412 volume 0.10588E-02 ppm1 2.068 ppm2 8.691  
   ORs {412} 30 HZ 31 HD1%   
 ASSI  {1560} 61 HB2 64 HN 2.600 0.900 0.900 peak 1560 volume 0.13868E-02 ppm1 2.065 ppm2 7.392   
 ASSIs {1584} 61 HD2 64 HB 2.800 1.000 1.000 peak 1584 volume 0.14080E-02 ppm1 3.582 ppm2 2.215   
 ASSI  {1606} 61 HB1 64 HG2% 3.900 1.900 1.900 peak 1606 volume 0.14719E-02 ppm1 2.565 ppm2 1.049   
 ASSI  {1617} 61 HB2 64 HG2% 2.600 0.900 0.900 peak 1617 volume 0.22267E-02 ppm1 2.063 ppm2 1.052   
 ASSI  {2483} 61 HD2 64 HN 4.900 3.100 1.100 peak 2483 volume 0.28639E-03 ppm1 3.576 ppm2 7.394   
 ASSI  {3151} 61 HA 64 HN 5.000 3.100 1.000 peak 3151 volume 0.35430E-03 ppm1 4.543 ppm2 7.382   
 ASSIs {596} 61 HB1 64 HN 4.500 2.500 1.500 peak 596 volume 0.54638E-03 ppm1 2.567 ppm2 7.392   
 ASSI  {2707} 62 HA 64 HN 4.300 2.300 1.700 peak 2707 volume 0.34122E-03 ppm1 4.445 ppm2 7.394   
 ASSI  {1003} 62 HN 65 HB% 5.500 3.800 0.500 peak 1003 volume 0.16505E-03 ppm1 8.860 ppm2 1.391   
 ASSIs {283} 62 HA 65 HB% 2.800 1.000 1.000 peak 283 volume 0.26193E-02 ppm1 4.451 ppm2 1.394   
 ASSIs {503} 62 HB1 65 HB% 3.000 1.200 1.200 peak 503 volume 0.60331E-03 ppm1 2.843 ppm2 1.394   
 ASSIs {883} 62 HA 65 HN 3.600 1.600 1.600 peak 883 volume 0.74215E-03 ppm1 4.442 ppm2 8.216   
 ASSI  {2605} 63 HA 65 HN 4.000 2.000 2.000 peak 2605 volume 0.54030E-03 ppm1 4.507 ppm2 8.211   
 ASSI  {2604} 63 HA 66 HN 3.700 1.700 1.700 peak 2604 volume 0.55553E-03 ppm1 4.509 ppm2 8.001   
 ASSI  {3223} 64 HA 66 HN 4.100 2.100 1.900 peak 3223 volume 0.40919E-03 ppm1 3.790 ppm2 7.993   
 ASSIs {1516} 64 HA 67 HB1 3.400 1.500 1.500 peak 1516 volume 0.45731E-03 ppm1 3.794 ppm2 2.088   
 ASSIs {2356} 64 HA 67 HD2 4.300 2.300 1.700 peak 2356 volume 0.45890E-03 ppm1 3.790 ppm2 3.299   
 ASSIs {2357} 64 HA 67 HD1 4.100 2.100 1.900 peak 2357 volume 0.45222E-03 ppm1 3.792 ppm2 3.263   
 ASSI  {3224} 64 HA 67 HN 3.400 1.500 1.500 peak 3224 volume 0.91320E-03 ppm1 3.790 ppm2 7.491   
 ASSI  {3228} 64 HA 67 HD1 3.600 1.600 1.600 peak 3228 volume 0.12728E-02 ppm1 3.791 ppm2 3.275  
   OR  {3228} 64 HA 67 HD2   
 ASSI  {3233} 64 HA 67 HB2 3.100 1.200 1.200 peak 3233 volume 0.14068E-02 ppm1 3.791 ppm2 1.900   
 ASSI  {3234} 64 HA 67 HG1 3.600 1.600 1.600 peak 3234 volume 0.20864E-02 ppm1 3.791 ppm2 1.788  
   OR  {3234} 64 HA 67 HG2   
 ASSIs {326} 64 HA 68 HG2% 3.600 1.600 1.600 peak 326 volume 0.23452E-03 ppm1 3.791 ppm2 1.254   
 ASSIs {763} 64 HA 68 HG1% 3.700 1.700 1.700 peak 763 volume 0.20056E-03 ppm1 3.789 ppm2 1.159   
 ASSI  {2600} 65 HA 67 HN 3.800 1.800 1.800 peak 2600 volume 0.58828E-03 ppm1 3.966 ppm2 7.486   
 ASSIs {425} 65 HN 67 HN 4.100 2.100 1.900 peak 425 volume 0.44960E-03 ppm1 8.215 ppm2 7.483   
 ASSI  {2636} 65 HA 68 HG1% 3.000 1.200 1.200 peak 2636 volume 0.18961E-02 ppm1 3.968 ppm2 1.158   
 ASSIs {300} 65 HA 68 HN 3.800 1.800 1.800 peak 300 volume 0.62609E-03 ppm1 3.960 ppm2 7.246   
 ASSIs {325} 65 HA 68 HG2% 2.900 1.000 1.000 peak 325 volume 0.21130E-02 ppm1 3.967 ppm2 1.249   
 ASSI  {2414} 66 HA2 68 HN 4.400 2.500 1.600 peak 2414 volume 0.23738E-03 ppm1 3.908 ppm2 7.245   
 ASSIs {299} 66 HA1 68 HN 4.900 3.000 1.100 peak 299 volume 0.34995E-03 ppm1 4.134 ppm2 7.245   
 ASSIs {549} 66 HA1 68 HG2% 3.700 1.700 1.700 peak 549 volume 0.18693E-03 ppm1 4.134 ppm2 1.245   
 ASSIs {139} 68 HA 70 HN 4.100 2.100 1.900 peak 139 volume 0.13555E-02 ppm1 4.438 ppm2 7.491   
 ASSIs {3240} 68 HG2% 71 HA 5.100 3.200 0.900 peak 3240 volume 0.38103E-03 ppm1 1.248 ppm2 4.247   
 ASSIs {1424} 69 HN 73 HB1 4.300 2.300 1.700 peak 1424 volume 0.60356E-03 ppm1 9.186 ppm2 2.477   
 ASSIs {1729} 69 HN 73 HG1 4.400 2.400 1.600 peak 1729 volume 0.14902E-03 ppm1 9.190 ppm2 2.651   
 ASSIs {1730} 69 HN 73 HG2 4.600 2.600 1.400 peak 1730 volume 0.39215E-03 ppm1 9.187 ppm2 2.482   
 ASSI  {2373} 69 HB2 73 HG2 5.200 3.300 0.800 peak 2373 volume 0.23854E-03 ppm1 2.890 ppm2 2.460  
   OR  {2373} 69 HB2 73 HB1   
 ASSI  {772} 69 HN 73 HB2 3.500 1.500 1.500 peak 772 volume 0.76395E-03 ppm1 9.183 ppm2 2.288   
 ASSIs {514} 70 HB 72 HN 2.900 1.000 1.000 peak 514 volume 0.14613E-02 ppm1 4.640 ppm2 9.001   
 ASSI  {580} 70 HG2% 72 HN 4.600 2.700 1.400 peak 580 volume 0.54288E-03 ppm1 1.097 ppm2 9.007   
 ASSI  {132} 70 HN 73 HN 3.600 1.600 1.600 peak 132 volume 0.76482E-03 ppm1 7.488 ppm2 7.832   
 ASSIs {1420} 70 HN 73 HB2 2.800 1.000 1.000 peak 1420 volume 0.12363E-02 ppm1 7.493 ppm2 2.290   
 ASSIs {1423} 70 HN 73 HB1 3.800 1.800 1.800 peak 1423 volume 0.15972E-02 ppm1 7.492 ppm2 2.479   
 ASSI  {144} 70 HN 73 HG2 3.000 1.100 1.100 peak 144 volume 0.40170E-02 ppm1 7.491 ppm2 2.470  
   OR  {144} 70 HN 73 HB1   
 ASSIs {1719} 70 HN 73 HG1 3.500 1.500 1.500 peak 1719 volume 0.63120E-03 ppm1 7.496 ppm2 2.658   
 ASSIs {1722} 70 HN 73 HG2 3.600 1.600 1.600 peak 1722 volume 0.90969E-03 ppm1 7.498 ppm2 2.488   
 ASSI  {394} 70 HG2% 73 HG1 4.500 2.500 1.500 peak 394 volume 0.39923E-03 ppm1 1.101 ppm2 2.666   
 ASSIs {409} 70 HB 73 HN 4.100 2.100 1.900 peak 409 volume 0.35875E-03 ppm1 4.639 ppm2 7.841   
 ASSI  {587} 70 HG2% 73 HN 4.700 2.700 1.300 peak 587 volume 0.40061E-03 ppm1 1.099 ppm2 7.840   
 ASSI  {619} 70 HG2% 73 HG2 4.100 2.200 1.900 peak 619 volume 0.77198E-03 ppm1 1.099 ppm2 2.473  
   OR  {619} 70 HG2% 73 HB1   
 ASSI  {622} 70 HG2% 73 HB2 4.700 2.700 1.300 peak 622 volume 0.32160E-03 ppm1 1.099 ppm2 2.297   
 ASSI  {3254} 71 HA 73 HN 4.000 2.000 2.000 peak 3254 volume 0.33061E-03 ppm1 4.243 ppm2 7.838   
 ASSI  {3248} 71 HA 74 HB2 3.300 1.400 1.400 peak 3248 volume 0.19349E-02 ppm1 4.247 ppm2 1.717   
 ASSI  {3255} 71 HA 74 HN 3.000 1.100 1.100 peak 3255 volume 0.17319E-02 ppm1 4.245 ppm2 7.699   
 ASSI  {3260} 71 HA 75 HN 3.600 1.600 1.600 peak 3260 volume 0.66137E-03 ppm1 4.247 ppm2 8.736   
 ASSI  {2983} 72 HA 74 HN 4.400 2.500 1.600 peak 2983 volume 0.25711E-03 ppm1 3.621 ppm2 7.697   
 ASSIs {1048} 72 HA 75 HD2% 3.300 1.400 1.400 peak 1048 volume 0.13394E-02 ppm1 3.619 ppm2 0.892   
 ASSIs {1059} 72 HA 75 HG 4.800 2.800 1.200 peak 1059 volume 0.34420E-03 ppm1 3.621 ppm2 1.700   
 ASSIs {2129} 72 HA 75 HB2 3.400 1.500 1.500 peak 2129 volume 0.13313E-02 ppm1 3.621 ppm2 1.554   
 ASSI  {3001} 72 HA 75 HB1 2.400 0.700 0.700 peak 3001 volume 0.35025E-02 ppm1 3.619 ppm2 2.212   
 ASSIs {788} 72 HA 75 HN 3.300 1.400 1.400 peak 788 volume 0.10248E-02 ppm1 3.622 ppm2 8.736   
 ASSIs {475} 72 HA 76 HN 3.700 1.700 1.700 peak 475 volume 0.61470E-03 ppm1 3.622 ppm2 8.704   
 ASSI  {398} 73 HN 75 HN 4.100 2.200 1.900 peak 398 volume 0.39357E-03 ppm1 7.840 ppm2 8.732   
 ASSIs {1877} 73 HA 76 HB1 3.000 1.100 1.100 peak 1877 volume 0.14195E-02 ppm1 4.250 ppm2 2.786   
 ASSIs {1878} 73 HA 76 HB2 3.400 1.400 1.400 peak 1878 volume 0.21929E-02 ppm1 4.249 ppm2 2.722   
 ASSIs {479} 73 HA 76 HN 3.300 1.400 1.400 peak 479 volume 0.11603E-02 ppm1 4.249 ppm2 8.704   
 ASSI  {650} 74 HD2% 77 HN 4.500 2.500 1.500 peak 650 volume 0.40912E-03 ppm1 1.079 ppm2 8.020  
   OR  {650} 74 HD1% 77 HN   
 ASSIs {1321} 74 HD2% 78 HG11 3.000 1.100 1.100 peak 1321 volume 0.98050E-03 ppm1 1.074 ppm2 1.727  
   ORs {1321} 74 HD1% 78 HG11   
 ASSIs {1326} 74 HD2% 78 HG12 3.800 1.800 1.800 peak 1326 volume 0.11331E-02 ppm1 1.081 ppm2 1.304  
   ORs {1326} 74 HD1% 78 HG12   
 ASSIs {689} 74 HD2% 78 HN 4.000 2.000 2.000 peak 689 volume 0.80614E-03 ppm1 1.071 ppm2 8.281  
   ORs {689} 74 HD1% 78 HN   
 ASSIs {88} 74 HG 78 HD1% 2.800 1.000 1.000 peak 88 volume 0.43739E-02 ppm1 1.001 ppm2 0.809   
 ASSI  {793} 75 HN 77 HN 3.700 1.700 1.700 peak 793 volume 0.64015E-03 ppm1 8.735 ppm2 8.018   
 ASSIs {1333} 75 HA 78 HG11 3.900 1.900 1.900 peak 1333 volume 0.25324E-03 ppm1 3.901 ppm2 1.725   
 ASSIs {1335} 75 HA 78 HG12 5.100 3.200 0.900 peak 1335 volume 0.27220E-03 ppm1 3.912 ppm2 1.307   
 ASSIs {187} 75 HA 78 HG2% 4.400 2.400 1.600 peak 187 volume 0.57786E-03 ppm1 3.901 ppm2 0.876   
 ASSIs {28} 75 HA 78 HD1% 3.300 1.400 1.400 peak 28 volume 0.76633E-03 ppm1 3.900 ppm2 0.809   
 ASSI  {2898} 75 HA 78 HB 2.800 0.900 0.900 peak 2898 volume 0.19995E-02 ppm1 3.904 ppm2 1.950   
 ASSI  {1088} 75 HG 79 HD22 3.100 1.200 1.200 peak 1088 volume 0.98974E-03 ppm1 1.705 ppm2 7.671   
 ASSI  {1089} 75 HG 79 HD21 4.400 2.400 1.600 peak 1089 volume 0.63203E-03 ppm1 1.710 ppm2 7.331   
 ASSIs {120} 75 HD1% 79 HD21 3.400 1.500 1.500 peak 120 volume 0.26170E-02 ppm1 0.806 ppm2 7.329   
 ASSIs {507} 75 HA 79 HN 3.700 1.700 1.700 peak 507 volume 0.57164E-03 ppm1 3.904 ppm2 8.882   
 ASSI  {894} 75 HD1% 79 HD22 2.700 0.900 0.900 peak 894 volume 0.19092E-02 ppm1 0.807 ppm2 7.669   
 ASSIs {105} 76 HA 79 HD22 3.800 1.800 1.800 peak 105 volume 0.60083E-03 ppm1 4.502 ppm2 7.667   
 ASSI  {2725} 76 HA 79 HN 3.300 1.400 1.400 peak 2725 volume 0.12258E-02 ppm1 4.497 ppm2 8.882   
 ASSI  {2735} 76 HA 79 HD21 4.900 3.000 1.100 peak 2735 volume 0.19516E-03 ppm1 4.497 ppm2 7.324   
 ASSI  {2740} 76 HA 79 HB1 3.700 1.700 1.700 peak 2740 volume 0.23667E-02 ppm1 4.498 ppm2 3.100   
 ASSI  {2731} 76 HA 80 HN 3.800 1.800 1.800 peak 2731 volume 0.86940E-03 ppm1 4.498 ppm2 8.443   
 ASSIs {516} 77 HA 79 HN 4.200 2.200 1.800 peak 516 volume 0.31412E-03 ppm1 4.300 ppm2 8.881   
 ASSIs {169} 78 HB 80 HN 4.700 2.800 1.300 peak 169 volume 0.32679E-03 ppm1 1.948 ppm2 8.444   
 ASSIs {172} 78 HA 80 HN 3.900 1.900 1.900 peak 172 volume 0.43399E-03 ppm1 3.761 ppm2 8.444   
 ASSIs {254} 78 HG2% 81 HB% 2.900 1.000 1.000 peak 254 volume 0.28695E-02 ppm1 0.865 ppm2 1.644   
 ASSIs {291} 78 HA 81 HB% 2.700 0.900 0.900 peak 291 volume 0.30780E-02 ppm1 3.758 ppm2 1.641   
 ASSI  {3196} 78 HA 81 HN 3.100 1.200 1.200 peak 3196 volume 0.12457E-02 ppm1 3.757 ppm2 7.608   
 ASSI  {219} 78 HG2% 82 HG 2.900 1.100 1.100 peak 219 volume 0.18153E-02 ppm1 0.875 ppm2 1.851   
 ASSIs {1055} 79 HA 81 HN 4.300 2.300 1.700 peak 1055 volume 0.25862E-03 ppm1 4.918 ppm2 7.610   
 ASSIs {1056} 79 HN 81 HN 4.700 2.800 1.300 peak 1056 volume 0.25165E-03 ppm1 8.879 ppm2 7.606   
 ASSIs {511} 79 HA 81 HB% 5.200 3.400 0.800 peak 511 volume 0.14660E-03 ppm1 4.920 ppm2 1.644   
 ASSIs {1141} 79 HA 82 HG 4.000 2.000 2.000 peak 1141 volume 0.38359E-03 ppm1 4.924 ppm2 1.852   
 ASSIs {2219} 79 HA 82 HB1 2.900 1.000 1.000 peak 2219 volume 0.17886E-02 ppm1 4.922 ppm2 2.028   
 ASSIs {2223} 79 HA 82 HB2 3.000 1.100 1.100 peak 2223 volume 0.10643E-02 ppm1 4.922 ppm2 1.574   
 ASSIs {816} 79 HA 83 HN 3.500 1.500 1.500 peak 816 volume 0.49446E-03 ppm1 4.920 ppm2 7.967   
 ASSI  {2446} 80 HA2 82 HN 4.000 2.000 2.000 peak 2446 volume 0.77480E-03 ppm1 4.038 ppm2 8.309  
   OR  {2446} 80 HA1 82 HN   
 ASSI  {2442} 80 HA2 83 HN 3.600 1.600 1.600 peak 2442 volume 0.83120E-03 ppm1 4.035 ppm2 7.960  
   OR  {2442} 80 HA1 83 HN   
 ASSIs {292} 80 HA2 83 HB% 2.600 0.800 0.800 peak 292 volume 0.31830E-02 ppm1 4.036 ppm2 1.621   
 ASSI  {1057} 81 HN 83 HN 3.900 1.900 1.900 peak 1057 volume 0.60171E-03 ppm1 7.609 ppm2 7.955   
 ASSI  {2532} 81 HA 83 HN 3.900 1.900 1.900 peak 2532 volume 0.51163E-03 ppm1 4.469 ppm2 7.960   
 ASSI  {2533} 81 HA 84 HN 3.400 1.400 1.400 peak 2533 volume 0.97383E-03 ppm1 4.467 ppm2 7.748   
 ASSI  {2544} 81 HA 84 HG2 4.000 2.000 2.000 peak 2544 volume 0.40501E-03 ppm1 4.471 ppm2 2.541   
 ASSI  {2545} 81 HA 84 HG1 4.200 2.200 1.800 peak 2545 volume 0.36529E-03 ppm1 4.468 ppm2 2.474   
 ASSI  {2546} 81 HA 84 HB1 4.400 2.400 1.600 peak 2546 volume 0.38703E-03 ppm1 4.472 ppm2 2.289   
 ASSIs {450} 82 HA 84 HN 4.200 2.200 1.800 peak 450 volume 0.31683E-03 ppm1 4.213 ppm2 7.751   
 ASSIs {1035} 82 HA 85 HN 3.500 1.500 1.500 peak 1035 volume 0.88551E-03 ppm1 4.222 ppm2 7.832   
 ASSIs {1053} 82 HD1% 85 HN 4.200 2.200 1.800 peak 1053 volume 0.33605E-03 ppm1 0.986 ppm2 7.835  
   ORs {1053} 82 HD2% 85 HN   
 ASSIs {531} 82 HD1% 85 HB% 2.800 1.000 1.000 peak 531 volume 0.29152E-02 ppm1 0.991 ppm2 1.584  
   ORs {531} 82 HD2% 85 HB%   
 ASSI  {2527} 83 HA 85 HN 4.100 2.100 1.900 peak 2527 volume 0.40440E-03 ppm1 4.299 ppm2 7.849   
 ASSIs {473} 2 HB% 3 HN 3.500 1.600 1.600 peak 473 volume 0.10670E-02 ppm1 1.666 ppm2 8.692   
 ASSIs {478} 2 HA 3 HN 3.000 1.100 1.100 peak 478 volume 0.21715E-02 ppm1 4.300 ppm2 8.683   
 ASSIs {1064} 3 HB 4 HN 3.500 1.500 1.500 peak 1064 volume 0.15078E-02 ppm1 4.205 ppm2 8.145   
 ASSIs {1068} 3 HG2% 4 HN 3.700 1.700 1.700 peak 1068 volume 0.22726E-02 ppm1 1.394 ppm2 8.146   
 ASSI  {3085} 3 HA 4 HN 2.100 0.500 0.500 peak 3085 volume 0.12720E-01 ppm1 4.413 ppm2 8.148   
 ASSI  {3108} 3 HA 4 HG 4.400 2.400 1.600 peak 3108 volume 0.10783E-02 ppm1 4.413 ppm2 1.713   
 ASSI  {1059} 4 HN 5 HN 4.300 2.300 1.700 peak 1059 volume 0.78259E-03 ppm1 8.146 ppm2 9.419   
 ASSIs {1078} 4 HG 5 HN 3.300 1.300 1.300 peak 1078 volume 0.79242E-03 ppm1 1.709 ppm2 9.419   
 ASSIs {1080} 4 HB2 5 HN 3.800 1.800 1.800 peak 1080 volume 0.20072E-02 ppm1 1.497 ppm2 9.419   
 ASSI  {2576} 4 HA 5 HB2 4.300 2.300 1.700 peak 2576 volume 0.75524E-03 ppm1 4.380 ppm2 1.339   
 ASSI  {2581} 4 HA 5 HN 2.100 0.500 0.500 peak 2581 volume 0.10953E-01 ppm1 4.384 ppm2 9.421   
 ASSI  {811} 4 HD1% 5 HN 4.100 2.100 1.900 peak 811 volume 0.12396E-02 ppm1 0.897 ppm2 9.425   
 ASSIs {928} 4 HA 5 HD2% 4.200 2.200 1.800 peak 928 volume 0.43264E-03 ppm1 4.383 ppm2 0.683   
 ASSI  {2239} 5 HB1 6 HN 3.100 1.200 1.200 peak 2239 volume 0.87101E-03 ppm1 1.610 ppm2 8.998   
 ASSI  {2584} 5 HA 6 HN 2.000 0.500 0.500 peak 2584 volume 0.10082E-01 ppm1 4.536 ppm2 8.997   
 ASSIs {313} 5 HD2% 6 HN 3.700 1.700 1.700 peak 313 volume 0.19413E-02 ppm1 0.676 ppm2 8.996   
 ASSIs {314} 5 HB1 6 HN 2.800 1.000 1.000 peak 314 volume 0.21486E-02 ppm1 1.602 ppm2 8.996  
   ORs {314} 5 HG 6 HN   
 ASSIs {317} 5 HB2 6 HN 3.900 1.900 1.900 peak 317 volume 0.99543E-03 ppm1 1.335 ppm2 8.996   
 ASSIs {387} 5 HA 6 HG2% 3.200 1.300 1.300 peak 387 volume 0.15442E-02 ppm1 4.536 ppm2 1.431   
 ASSI  {910} 5 HD2% 6 HG2% 4.200 2.200 1.800 peak 910 volume 0.75976E-03 ppm1 0.681 ppm2 1.414   
 ASSIs {349} 6 HB 7 HN 2.200 0.600 0.600 peak 349 volume 0.53134E-02 ppm1 4.870 ppm2 8.852   
 ASSIs {350} 6 HA 7 HN 2.500 0.800 0.800 peak 350 volume 0.50326E-02 ppm1 4.782 ppm2 8.852   
 ASSI  {582} 6 HG2% 7 HN 4.200 2.200 1.800 peak 582 volume 0.15126E-02 ppm1 1.431 ppm2 8.856   
 ASSI  {3300} 7 HA 8 HN 3.900 1.900 1.900 peak 3300 volume 0.44544E-03 ppm1 3.879 ppm2 8.280   
 ASSI  {3328} 7 HB 8 HN 2.800 1.000 1.000 peak 3328 volume 0.21310E-02 ppm1 4.340 ppm2 8.281   
 ASSI  {3335} 7 HB 8 HB1 4.900 2.900 1.100 peak 3335 volume 0.30702E-03 ppm1 4.339 ppm2 2.726  
   OR  {3335} 7 HB 8 HB2   
 ASSI  {341} 7 HN 8 HN 2.800 1.000 1.000 peak 341 volume 0.22057E-02 ppm1 8.852 ppm2 8.280   
 ASSI  {774} 7 HG2% 8 HA 4.100 2.100 1.900 peak 774 volume 0.32111E-03 ppm1 1.398 ppm2 4.656   
 ASSI  {801} 7 HG2% 8 HN 3.900 1.900 1.900 peak 801 volume 0.80307E-03 ppm1 1.404 ppm2 8.272   
 ASSIs {696} 8 HN 9 HN 2.700 0.900 0.900 peak 696 volume 0.27280E-02 ppm1 8.278 ppm2 7.906   
 ASSIs {704} 8 HA 9 HN 3.700 1.700 1.700 peak 704 volume 0.81869E-03 ppm1 4.633 ppm2 7.906   
 ASSIs {2807} 9 HB1 10 HA 4.400 2.400 1.600 peak 2807 volume 0.22584E-03 ppm1 3.057 ppm2 4.227   
 ASSI  {697} 9 HN 10 HN 2.500 0.800 0.800 peak 697 volume 0.42045E-02 ppm1 7.906 ppm2 8.100   
 ASSIs {812} 9 HB1 10 HN 2.800 1.000 1.000 peak 812 volume 0.26880E-02 ppm1 3.054 ppm2 8.099   
 ASSIs {819} 9 HB2 10 HN 2.900 1.000 1.000 peak 819 volume 0.19925E-02 ppm1 2.722 ppm2 8.099   
 ASSIs {833} 9 HA 10 HN 3.600 1.600 1.600 peak 833 volume 0.90804E-03 ppm1 4.568 ppm2 8.099   
 ASSI  {2162} 10 HB2 11 HN 3.800 1.800 1.800 peak 2162 volume 0.12731E-02 ppm1 1.576 ppm2 8.842   
 ASSI  {2170} 10 HB1 11 HN 2.600 0.800 0.800 peak 2170 volume 0.22484E-02 ppm1 2.355 ppm2 8.843   
 ASSI  {2803} 10 HA 11 HN 3.400 1.400 1.400 peak 2803 volume 0.97977E-03 ppm1 4.226 ppm2 8.843   
 ASSIs {3026} 10 HN 11 HA 4.800 2.900 1.200 peak 3026 volume 0.39555E-03 ppm1 8.098 ppm2 3.519   
 ASSIs {605} 10 HN 11 HN 2.500 0.800 0.800 peak 605 volume 0.39817E-02 ppm1 8.098 ppm2 8.843   
 ASSIs {339} 11 HN 12 HN 2.700 0.900 0.900 peak 339 volume 0.27634E-02 ppm1 8.844 ppm2 7.989   
 ASSIs {345} 11 HA 12 HN 3.500 1.500 1.500 peak 345 volume 0.10214E-02 ppm1 3.524 ppm2 7.989   
 ASSIs {358} 11 HG1 12 HN 4.400 2.400 1.600 peak 358 volume 0.79972E-03 ppm1 1.403 ppm2 7.988   
 ASSI  {2973} 12 HA 13 HN 3.200 1.300 1.300 peak 2973 volume 0.14695E-02 ppm1 4.042 ppm2 7.724   
 ASSI  {338} 12 HN 13 HN 2.500 0.800 0.800 peak 338 volume 0.44079E-02 ppm1 7.989 ppm2 7.724   
 ASSI  {2587} 13 HA 14 HN 3.700 1.700 1.700 peak 2587 volume 0.72409E-03 ppm1 4.414 ppm2 8.428   
 ASSIs {2782} 13 HB% 14 HA 4.100 2.100 1.900 peak 2782 volume 0.52127E-03 ppm1 1.677 ppm2 4.414   
 ASSIs {567} 13 HN 14 HN 2.500 0.800 0.800 peak 567 volume 0.43528E-02 ppm1 7.725 ppm2 8.421   
 ASSIs {578} 13 HB% 14 HN 2.600 0.900 0.900 peak 578 volume 0.34117E-02 ppm1 1.683 ppm2 8.421   
 ASSIs {703} 13 HB% 14 HD1% 3.800 1.800 1.800 peak 703 volume 0.83178E-03 ppm1 1.681 ppm2 0.771   
 ASSIs {3267} 14 HB1 15 HA 4.100 2.100 1.900 peak 3267 volume 0.37158E-03 ppm1 2.003 ppm2 3.932   
 ASSIs {3271} 14 HB2 15 HA 4.500 2.500 1.500 peak 3271 volume 0.27049E-03 ppm1 1.445 ppm2 3.931   
 ASSI  {568} 14 HN 15 HN 2.400 0.700 0.700 peak 568 volume 0.41859E-02 ppm1 8.421 ppm2 8.501   
 ASSIs {646} 14 HN 15 HG2% 4.500 2.500 1.500 peak 646 volume 0.58847E-03 ppm1 8.406 ppm2 1.130   
 ASSIs {744} 14 HB2 15 HN 2.900 1.000 1.000 peak 744 volume 0.12972E-02 ppm1 1.433 ppm2 8.504   
 ASSIs {747} 14 HB1 15 HN 3.200 1.300 1.300 peak 747 volume 0.23531E-02 ppm1 2.006 ppm2 8.503   
 ASSIs {748} 14 HG 15 HN 4.700 2.700 1.300 peak 748 volume 0.48380E-03 ppm1 1.900 ppm2 8.504   
 ASSI  {1544} 15 HB 16 HN 2.600 0.900 0.900 peak 1544 volume 0.25972E-02 ppm1 2.284 ppm2 8.240   
 ASSIs {1723} 15 HN 16 HG1 6.000 4.800 0.000 peak 1723 volume 0.10472E-03 ppm1 8.502 ppm2 2.633   
 ASSI  {570} 15 HG1% 16 HG2 3.900 1.900 1.900 peak 570 volume 0.61397E-03 ppm1 1.052 ppm2 2.396   
 ASSI  {575} 15 HG1% 16 HA 3.400 1.400 1.400 peak 575 volume 0.11329E-02 ppm1 1.052 ppm2 4.215   
 ASSIs {655} 15 HN 16 HN 2.400 0.700 0.700 peak 655 volume 0.44068E-02 ppm1 8.505 ppm2 8.240   
 ASSI  {656} 15 HG2% 16 HA 4.800 2.900 1.200 peak 656 volume 0.47532E-03 ppm1 1.130 ppm2 4.224   
 ASSI  {660} 15 HG2% 16 HG1 5.600 3.900 0.400 peak 660 volume 0.30683E-03 ppm1 1.132 ppm2 2.628   
 ASSIs {663} 15 HA 16 HN 3.200 1.300 1.300 peak 663 volume 0.16903E-02 ppm1 3.933 ppm2 8.241   
 ASSIs {688} 15 HG2% 16 HN 3.800 1.800 1.800 peak 688 volume 0.18055E-02 ppm1 1.136 ppm2 8.241   
 ASSIs {690} 15 HG1% 16 HN 3.500 1.500 1.500 peak 690 volume 0.18264E-02 ppm1 1.049 ppm2 8.241   
 ASSIs {255} 16 HA 17 HN 3.300 1.400 1.400 peak 255 volume 0.15410E-02 ppm1 4.223 ppm2 7.809   
 ASSIs {259} 16 HG1 17 HN 5.300 3.500 0.700 peak 259 volume 0.35534E-03 ppm1 2.627 ppm2 7.812   
 ASSIs {260} 16 HG2 17 HN 4.900 3.000 1.100 peak 260 volume 0.40936E-03 ppm1 2.395 ppm2 7.808   
 ASSIs {262} 16 HB2 17 HN 2.900 1.100 1.100 peak 262 volume 0.13066E-02 ppm1 2.157 ppm2 7.810   
 ASSIs {2968} 16 HB1 17 HA 4.000 2.000 2.000 peak 2968 volume 0.52078E-03 ppm1 2.265 ppm2 4.579   
 ASSI  {264} 17 HN 18 HB% 4.600 2.600 1.400 peak 264 volume 0.72492E-03 ppm1 7.811 ppm2 1.552   
 ASSIs {927} 17 HA 18 HN 3.200 1.300 1.300 peak 927 volume 0.17691E-02 ppm1 4.582 ppm2 7.811   
 ASSIs {2395} 18 HN 19 HA1 4.700 2.800 1.300 peak 2395 volume 0.31356E-03 ppm1 7.814 ppm2 4.065  
   ORs {2395} 18 HN 19 HA2   
 ASSI  {2508} 18 HA 19 HN 2.800 1.000 1.000 peak 2508 volume 0.39996E-02 ppm1 4.358 ppm2 8.245   
 ASSI  {361} 18 HB% 19 HN 2.900 1.100 1.100 peak 361 volume 0.24365E-02 ppm1 1.554 ppm2 8.244   
 ASSI  {2379} 19 HA2 20 HG2 4.600 2.700 1.400 peak 2379 volume 0.35012E-03 ppm1 4.071 ppm2 2.417  
   OR  {2379} 19 HA1 20 HG1  
   OR  {2379} 19 HA1 20 HG2  
   OR  {2379} 19 HA2 20 HG1   
 ASSIs {736} 19 HA2 20 HN 2.500 0.800 0.800 peak 736 volume 0.77276E-02 ppm1 4.069 ppm2 8.503  
   ORs {736} 19 HA1 20 HN   
 ASSI  {91} 19 HN 20 HN 3.200 1.300 1.300 peak 91 volume 0.22388E-02 ppm1 8.243 ppm2 8.506   
 ASSI  {1415} 20 HB2 21 HN 4.400 2.400 1.600 peak 1415 volume 0.55013E-03 ppm1 2.077 ppm2 8.250   
 ASSIs {269} 20 HG1 21 HN 4.300 2.300 1.700 peak 269 volume 0.65738E-03 ppm1 2.412 ppm2 8.253  
   ORs {269} 20 HG2 21 HN   
 ASSIs {270} 20 HB1 21 HN 4.000 2.000 2.000 peak 270 volume 0.11023E-02 ppm1 2.246 ppm2 8.252   
 ASSIs {273} 20 HA 21 HN 2.400 0.700 0.700 peak 273 volume 0.71324E-02 ppm1 4.486 ppm2 8.253   
 ASSI  {3362} 21 HB 22 HN 2.900 1.100 1.100 peak 3362 volume 0.26911E-02 ppm1 4.388 ppm2 8.498   
 ASSI  {379} 21 HG2% 22 HN 3.500 1.600 1.600 peak 379 volume 0.11738E-02 ppm1 1.257 ppm2 8.493   
 ASSIs {896} 21 HA 22 HN 2.600 0.800 0.800 peak 896 volume 0.55713E-02 ppm1 4.528 ppm2 8.497   
 ASSIs {899} 21 HN 22 HN 3.400 1.500 1.500 peak 899 volume 0.12034E-02 ppm1 8.249 ppm2 8.499   
 ASSIs {150} 22 HB1 23 HN 3.400 1.400 1.400 peak 150 volume 0.15255E-02 ppm1 2.841 ppm2 8.500  
   ORs {150} 22 HB2 23 HN   
 ASSIs {152} 22 HA 23 HN 2.800 1.000 1.000 peak 152 volume 0.31648E-02 ppm1 4.738 ppm2 8.499   
 ASSIs {2411} 22 HB1 23 HA2 3.800 1.800 1.800 peak 2411 volume 0.52502E-03 ppm1 2.855 ppm2 4.091  
   ORs {2411} 22 HB1 23 HA1  
   ORs {2411} 22 HB2 23 HA2   
 ASSI  {155} 23 HN 24 HN 3.000 1.100 1.100 peak 155 volume 0.26014E-02 ppm1 8.500 ppm2 8.156   
 ASSI  {2393} 23 HA2 24 HN 2.700 0.900 0.900 peak 2393 volume 0.44518E-02 ppm1 4.088 ppm2 8.152  
   OR  {2393} 23 HA1 24 HN   
 ASSIs {3125} 23 HA1 24 HA 4.700 2.700 1.300 peak 3125 volume 0.36868E-03 ppm1 4.072 ppm2 4.344  
   ORs {3125} 23 HA2 24 HA   
 ASSIs {610} 23 HA2 24 HG2% 3.300 1.300 1.300 peak 610 volume 0.40591E-03 ppm1 4.094 ppm2 1.296   
 ASSI  {3082} 24 HA 25 HN 2.300 0.700 0.700 peak 3082 volume 0.85903E-02 ppm1 4.345 ppm2 8.621   
 ASSI  {3102} 24 HA 25 HB1 5.300 3.500 0.700 peak 3102 volume 0.28551E-03 ppm1 4.347 ppm2 2.897   
 ASSI  {3360} 24 HB 25 HN 3.400 1.400 1.400 peak 3360 volume 0.15034E-02 ppm1 4.240 ppm2 8.622   
 ASSI  {583} 24 HG2% 25 HN 3.500 1.500 1.500 peak 583 volume 0.15798E-02 ppm1 1.296 ppm2 8.622   
 ASSI  {609} 24 HG2% 25 HA 4.500 2.600 1.500 peak 609 volume 0.39479E-03 ppm1 1.297 ppm2 4.715   
 ASSIs {981} 24 HN 25 HN 4.500 2.600 1.500 peak 981 volume 0.47055E-03 ppm1 8.149 ppm2 8.622   
 ASSIs {963} 25 HA 26 HN 2.400 0.700 0.700 peak 963 volume 0.73577E-02 ppm1 4.730 ppm2 8.467   
 ASSIs {980} 25 HN 26 HN 3.400 1.500 1.500 peak 980 volume 0.18634E-02 ppm1 8.608 ppm2 8.468   
 ASSIs {989} 25 HB1 26 HN 4.200 2.200 1.800 peak 989 volume 0.80638E-03 ppm1 2.898 ppm2 8.467   
 ASSIs {990} 25 HB2 26 HN 4.200 2.200 1.800 peak 990 volume 0.86341E-03 ppm1 2.770 ppm2 8.468   
 ASSIs {2979} 26 HN 27 HA 4.300 2.400 1.700 peak 2979 volume 0.34097E-03 ppm1 8.467 ppm2 4.309   
 ASSIs {3217} 26 HN 27 HB1 4.300 2.300 1.700 peak 3217 volume 0.25077E-03 ppm1 8.478 ppm2 4.041   
 ASSIs {3218} 26 HN 27 HB2 3.800 1.800 1.800 peak 3218 volume 0.15476E-03 ppm1 8.471 ppm2 3.991   
 ASSIs {322} 26 HN 27 HN 2.700 0.900 0.900 peak 322 volume 0.40360E-02 ppm1 8.472 ppm2 8.208   
 ASSIs {325} 26 HA 27 HN 2.800 0.900 0.900 peak 325 volume 0.30160E-02 ppm1 4.378 ppm2 8.208   
 ASSIs {327} 26 HG 27 HN 4.900 3.100 1.100 peak 327 volume 0.20700E-03 ppm1 1.585 ppm2 8.208   
 ASSIs {328} 26 HB1 27 HN 3.900 1.900 1.900 peak 328 volume 0.60098E-03 ppm1 1.454 ppm2 8.209   
 ASSIs {329} 26 HB2 27 HN 4.300 2.300 1.700 peak 329 volume 0.47905E-03 ppm1 1.233 ppm2 8.208   
 ASSIs {330} 26 HD2% 27 HN 5.300 3.500 0.700 peak 330 volume 0.24692E-03 ppm1 0.817 ppm2 8.208   
 ASSIs {331} 26 HD1% 27 HN 4.600 2.700 1.400 peak 331 volume 0.50146E-03 ppm1 0.715 ppm2 8.207   
 ASSIs {182} 27 HB2 28 HN 3.700 1.700 1.700 peak 182 volume 0.14546E-02 ppm1 4.004 ppm2 8.581   
 ASSI  {2978} 27 HA 28 HN 2.300 0.700 0.700 peak 2978 volume 0.50078E-02 ppm1 4.306 ppm2 8.583   
 ASSI  {3203} 27 HB1 28 HN 4.200 2.200 1.800 peak 3203 volume 0.76181E-03 ppm1 4.038 ppm2 8.582   
 ASSI  {321} 27 HN 28 HN 3.800 1.800 1.800 peak 321 volume 0.16264E-02 ppm1 8.209 ppm2 8.579   
 ASSI  {2380} 28 HA2 29 HB1 5.400 3.700 0.600 peak 2380 volume 0.24721E-03 ppm1 3.889 ppm2 2.908   
 ASSI  {2381} 28 HA2 29 HB2 5.200 3.400 0.800 peak 2381 volume 0.29898E-03 ppm1 3.895 ppm2 2.683   
 ASSI  {2382} 28 HA1 29 HB1 5.400 3.600 0.600 peak 2382 volume 0.27492E-03 ppm1 4.238 ppm2 2.904   
 ASSI  {2383} 28 HA1 29 HA 4.700 2.800 1.300 peak 2383 volume 0.31265E-03 ppm1 4.251 ppm2 4.848   
 ASSI  {2384} 28 HA2 29 HA 4.400 2.400 1.600 peak 2384 volume 0.33773E-03 ppm1 3.892 ppm2 4.858   
 ASSI  {2387} 28 HA1 29 HN 2.600 0.800 0.800 peak 2387 volume 0.33342E-02 ppm1 4.245 ppm2 8.684   
 ASSIs {957} 28 HA2 29 HN 2.900 1.000 1.000 peak 957 volume 0.52336E-02 ppm1 3.893 ppm2 8.680   
 ASSIs {966} 28 HN 29 HN 4.400 2.500 1.600 peak 966 volume 0.92483E-03 ppm1 8.583 ppm2 8.681   
 ASSIs {3582} 29 HA 30 HD% 4.400 2.400 1.600 peak 3582 volume 0.46038E-03 ppm1 4.859 ppm2 7.321  
   ORs {3582} 29 HA 30 HD%   
 ASSIs {905} 29 HA 30 HN 2.100 0.500 0.500 peak 905 volume 0.68993E-02 ppm1 4.858 ppm2 8.065   
 ASSIs {910} 29 HB1 30 HN 4.600 2.600 1.400 peak 910 volume 0.41283E-03 ppm1 2.909 ppm2 8.067   
 ASSIs {924} 29 HB2 30 HN 5.300 3.500 0.700 peak 924 volume 0.19543E-03 ppm1 2.688 ppm2 8.065   
 ASSI  {967} 29 HN 30 HN 4.700 2.800 1.300 peak 967 volume 0.33235E-03 ppm1 8.680 ppm2 8.074   
 ASSI  {1953} 30 HB2 31 HN 4.400 2.400 1.600 peak 1953 volume 0.44631E-03 ppm1 3.015 ppm2 7.537   
 ASSIs {2799} 30 HD% 31 HA 3.800 1.800 1.800 peak 2799 volume 0.95125E-03 ppm1 7.330 ppm2 3.307   
 ASSI  {3468} 30 HZ 31 HD1% 5.400 3.700 0.600 peak 3468 volume 0.24729E-03 ppm1 7.364 ppm2 0.460   
 ASSI  {3589} 30 HD% 31 HG 4.300 2.300 1.700 peak 3589 volume 0.60414E-03 ppm1 7.322 ppm2 1.219  
   OR  {3589} 30 HD% 31 HG   
 ASSI  {3594} 30 HD% 31 HD1% 5.000 3.100 1.000 peak 3594 volume 0.60171E-03 ppm1 7.321 ppm2 0.459   
 ASSIs {412} 30 HD% 31 HD1% 4.000 2.000 2.000 peak 412 volume 0.19387E-02 ppm1 7.340 ppm2 0.461   
 ASSIs {557} 30 HD% 31 HN 3.900 1.900 1.900 peak 557 volume 0.17275E-02 ppm1 7.336 ppm2 7.537   
 ASSI  {902} 30 HN 31 HN 2.300 0.700 0.700 peak 902 volume 0.37727E-02 ppm1 8.068 ppm2 7.540   
 ASSI  {917} 30 HN 31 HG 3.900 1.900 1.900 peak 917 volume 0.53816E-03 ppm1 8.065 ppm2 1.208   
 ASSI  {919} 30 HN 31 HB1 5.900 4.300 0.100 peak 919 volume 0.22174E-03 ppm1 8.064 ppm2 1.638   
 ASSIs {190} 31 HN 32 HN 2.900 1.000 1.000 peak 190 volume 0.15990E-02 ppm1 7.535 ppm2 8.083   
 ASSIs {196} 31 HB1 32 HN 3.900 1.900 1.900 peak 196 volume 0.10464E-02 ppm1 1.647 ppm2 8.084   
 ASSIs {199} 31 HB2 32 HN 3.400 1.400 1.400 peak 199 volume 0.59300E-03 ppm1 1.050 ppm2 8.082   
 ASSI  {195} 32 HN 33 HG 4.700 2.800 1.300 peak 195 volume 0.66823E-03 ppm1 8.082 ppm2 1.789  
   OR  {195} 32 HN 33 HB1   
 ASSI  {2052} 32 HB1 33 HN 4.300 2.300 1.700 peak 2052 volume 0.37345E-03 ppm1 3.044 ppm2 7.222   
 ASSI  {2523} 32 HA 33 HN 3.200 1.300 1.300 peak 2523 volume 0.14969E-02 ppm1 5.055 ppm2 7.230   
 ASSIs {844} 32 HB2 33 HN 4.000 2.000 2.000 peak 844 volume 0.61412E-03 ppm1 2.368 ppm2 7.227   
 ASSIs {855} 32 HN 33 HN 2.400 0.700 0.700 peak 855 volume 0.50536E-02 ppm1 8.083 ppm2 7.227   
 ASSI  {2163} 33 HB1 34 HN 3.600 1.600 1.600 peak 2163 volume 0.97456E-03 ppm1 1.786 ppm2 8.491   
 ASSI  {2560} 33 HA 34 HG1 4.700 2.700 1.300 peak 2560 volume 0.48215E-03 ppm1 4.316 ppm2 1.941   
 ASSI  {2564} 33 HA 34 HN 2.100 0.600 0.600 peak 2564 volume 0.83801E-02 ppm1 4.313 ppm2 8.488   
 ASSIs {381} 33 HB1 34 HN 3.500 1.500 1.500 peak 381 volume 0.15552E-02 ppm1 1.789 ppm2 8.488  
   ORs {381} 33 HG 34 HN   
 ASSIs {383} 33 HB2 34 HN 3.700 1.700 1.700 peak 383 volume 0.21025E-02 ppm1 1.412 ppm2 8.488   
 ASSIs {385} 33 HD1% 34 HN 3.900 1.900 1.900 peak 385 volume 0.16587E-02 ppm1 0.973 ppm2 8.487   
 ASSI  {856} 33 HN 34 HN 4.600 2.600 1.400 peak 856 volume 0.45255E-03 ppm1 7.227 ppm2 8.491   
 ASSI  {968} 33 HD2% 34 HN 5.000 3.100 1.000 peak 968 volume 0.37460E-03 ppm1 1.081 ppm2 8.488   
 ASSIs {3556} 34 HA 35 HD% 5.600 4.000 0.400 peak 3556 volume 0.11868E-03 ppm1 4.751 ppm2 7.130  
   ORs {3556} 34 HA 35 HD%   
 ASSIs {955} 34 HB1 35 HN 3.000 1.100 1.100 peak 955 volume 0.11013E-02 ppm1 2.174 ppm2 8.452   
 ASSIs {970} 34 HG1 35 HN 4.600 2.600 1.400 peak 970 volume 0.49772E-03 ppm1 1.956 ppm2 8.452   
 ASSIs {971} 34 HB2 35 HN 4.300 2.300 1.700 peak 971 volume 0.67178E-03 ppm1 1.871 ppm2 8.454   
 ASSI  {1805} 35 HB2 36 HN 2.700 0.900 0.900 peak 1805 volume 0.16686E-02 ppm1 3.107 ppm2 9.542   
 ASSI  {1835} 35 HB1 36 HN 3.700 1.700 1.700 peak 1835 volume 0.13155E-02 ppm1 3.623 ppm2 9.541   
 ASSI  {3083} 35 HA 36 HN 3.400 1.400 1.400 peak 3083 volume 0.81631E-03 ppm1 4.396 ppm2 9.539   
 ASSI  {3557} 35 HD% 36 HN 5.200 3.300 0.800 peak 3557 volume 0.17174E-03 ppm1 7.130 ppm2 9.546  
   OR  {3557} 35 HD% 36 HN   
 ASSIs {454} 35 HN 36 HN 2.800 1.000 1.000 peak 454 volume 0.18558E-02 ppm1 8.456 ppm2 9.540   
 ASSIs {455} 35 HD% 36 HN 4.600 2.600 1.400 peak 455 volume 0.36251E-03 ppm1 7.132 ppm2 9.540   
 ASSI  {1686} 36 HG1 37 HN 3.900 1.900 1.900 peak 1686 volume 0.99276E-03 ppm1 2.494 ppm2 7.532  
   OR  {1686} 36 HG2 37 HN   
 ASSI  {1694} 36 HG1 37 HA 4.700 2.700 1.300 peak 1694 volume 0.35113E-03 ppm1 2.496 ppm2 4.816  
   OR  {1694} 36 HG2 37 HA   
 ASSIs {533} 36 HB1 37 HN 3.500 1.500 1.500 peak 533 volume 0.10222E-02 ppm1 2.269 ppm2 7.533   
 ASSIs {538} 36 HA 37 HN 3.200 1.300 1.300 peak 538 volume 0.14752E-02 ppm1 4.361 ppm2 7.533   
 ASSIs {540} 36 HN 37 HN 2.600 0.800 0.800 peak 540 volume 0.32823E-02 ppm1 9.542 ppm2 7.533   
 ASSIs {1219} 37 HN 38 HG12 4.300 2.300 1.700 peak 1219 volume 0.38048E-03 ppm1 7.534 ppm2 1.574   
 ASSIs {214} 37 HN 38 HN 2.200 0.600 0.600 peak 214 volume 0.55991E-02 ppm1 7.535 ppm2 7.731   
 ASSIs {219} 37 HA 38 HN 3.500 1.500 1.500 peak 219 volume 0.82979E-03 ppm1 4.812 ppm2 7.731   
 ASSI  {530} 37 HN 38 HG2% 4.100 2.100 1.900 peak 530 volume 0.78536E-03 ppm1 7.533 ppm2 1.080   
 ASSI  {224} 38 HN 39 HA2 5.300 3.600 0.700 peak 224 volume 0.31835E-03 ppm1 7.731 ppm2 3.898   
 ASSI  {53} 38 HD1% 39 HA1 4.800 2.900 1.200 peak 53 volume 0.41508E-03 ppm1 0.890 ppm2 4.278   
 ASSIs {80} 38 HA 39 HN 3.300 1.400 1.400 peak 80 volume 0.10853E-02 ppm1 4.679 ppm2 7.737   
 ASSIs {84} 38 HB 39 HN 4.200 2.200 1.800 peak 84 volume 0.44973E-03 ppm1 2.473 ppm2 7.734   
 ASSIs {85} 38 HG11 39 HN 3.700 1.700 1.700 peak 85 volume 0.37692E-03 ppm1 1.831 ppm2 7.733   
 ASSIs {86} 38 HG12 39 HN 3.900 1.900 1.900 peak 86 volume 0.54580E-03 ppm1 1.571 ppm2 7.740   
 ASSIs {87} 38 HG2% 39 HN 4.800 2.900 1.200 peak 87 volume 0.42068E-03 ppm1 1.081 ppm2 7.739   
 ASSI  {2418} 39 HA1 40 HN 3.700 1.700 1.700 peak 2418 volume 0.15551E-02 ppm1 4.268 ppm2 8.082   
 ASSI  {2419} 39 HA2 40 HN 3.000 1.100 1.100 peak 2419 volume 0.15221E-02 ppm1 3.902 ppm2 8.078   
 ASSI  {2423} 39 HA1 40 HD% 4.900 3.000 1.100 peak 2423 volume 0.11869E-03 ppm1 4.265 ppm2 6.985   
 ASSI  {2424} 39 HA2 40 HD% 4.900 3.000 1.100 peak 2424 volume 0.25603E-03 ppm1 3.902 ppm2 6.974   
 ASSI  {88} 39 HN 40 HB1 5.200 3.400 0.800 peak 88 volume 0.27365E-03 ppm1 7.734 ppm2 3.004   
 ASSI  {90} 39 HN 40 HD% 4.700 2.800 1.300 peak 90 volume 0.35699E-03 ppm1 7.735 ppm2 6.983   
 ASSIs {1030} 40 HD% 41 HN 3.900 1.900 1.900 peak 1030 volume 0.57786E-03 ppm1 6.982 ppm2 8.041   
 ASSIs {1041} 40 HB1 41 HN 3.800 1.800 1.800 peak 1041 volume 0.51670E-03 ppm1 3.014 ppm2 8.042   
 ASSIs {2146} 40 HA 41 HB2 5.600 3.900 0.400 peak 2146 volume 0.23764E-03 ppm1 4.583 ppm2 2.835   
 ASSI  {2849} 40 HA 41 HB1 6.000 4.700 0.000 peak 2849 volume 0.26102E-03 ppm1 4.590 ppm2 3.202   
 ASSI  {2871} 40 HA 41 HN 2.100 0.500 0.500 peak 2871 volume 0.12700E-01 ppm1 4.586 ppm2 8.046   
 ASSI  {1029} 41 HN 42 HN 4.600 2.700 1.400 peak 1029 volume 0.49538E-03 ppm1 8.038 ppm2 8.561   
 ASSI  {2123} 41 HB1 42 HA 5.100 3.200 0.900 peak 2123 volume 0.25070E-03 ppm1 3.213 ppm2 4.200   
 ASSI  {2126} 41 HB2 42 HB1 6.000 4.900 0.000 peak 2126 volume 0.16982E-03 ppm1 2.841 ppm2 4.051   
 ASSI  {2176} 41 HB1 42 HN 2.400 0.700 0.700 peak 2176 volume 0.46829E-02 ppm1 3.210 ppm2 8.562   
 ASSI  {2177} 41 HB2 42 HN 3.400 1.500 1.500 peak 2177 volume 0.30831E-02 ppm1 2.836 ppm2 8.563   
 ASSI  {2504} 41 HA 42 HN 2.400 0.700 0.700 peak 2504 volume 0.58735E-02 ppm1 4.729 ppm2 8.564   
 ASSIs {3094} 41 HA 42 HB1 6.000 4.500 0.000 peak 3094 volume 0.12808E-03 ppm1 4.734 ppm2 4.062   
 ASSIs {3095} 41 HA 42 HB2 6.000 6.000 0.000 peak 3095 volume 0.10540E-03 ppm1 4.740 ppm2 4.003   
 ASSIs {3099} 41 HB1 42 HB2 6.000 4.600 0.000 peak 3099 volume 0.16593E-03 ppm1 3.223 ppm2 4.007   
 ASSIs {3100} 41 HB1 42 HB1 5.500 3.800 0.500 peak 3100 volume 0.19550E-03 ppm1 3.218 ppm2 4.059   
 ASSI  {3087} 42 HB1 43 HN 3.900 1.900 1.900 peak 3087 volume 0.71718E-03 ppm1 4.059 ppm2 7.806   
 ASSI  {3119} 42 HB2 43 HB2 5.400 3.600 0.600 peak 3119 volume 0.15032E-03 ppm1 4.014 ppm2 1.761  
   OR  {3119} 42 HB2 43 HG   
 ASSIs {903} 42 HN 43 HN 2.700 0.900 0.900 peak 903 volume 0.27286E-02 ppm1 8.558 ppm2 7.806   
 ASSIs {908} 42 HA 43 HN 3.300 1.400 1.400 peak 908 volume 0.10519E-02 ppm1 4.187 ppm2 7.805   
 ASSIs {909} 42 HB2 43 HN 3.400 1.400 1.400 peak 909 volume 0.13501E-02 ppm1 4.022 ppm2 7.806   
 ASSI  {1224} 43 HG 44 HN 4.700 2.800 1.300 peak 1224 volume 0.61319E-03 ppm1 1.767 ppm2 8.066   
 ASSI  {1969} 43 HB2 44 HN 3.900 1.900 1.900 peak 1969 volume 0.18020E-02 ppm1 1.773 ppm2 8.065   
 ASSIs {2597} 43 HN 44 HA 4.900 2.900 1.100 peak 2597 volume 0.36468E-03 ppm1 7.799 ppm2 4.334   
 ASSIs {266} 43 HN 44 HB% 4.200 2.200 1.800 peak 266 volume 0.98015E-03 ppm1 7.802 ppm2 1.527   
 ASSI  {904} 43 HN 44 HN 2.400 0.700 0.700 peak 904 volume 0.61134E-02 ppm1 7.806 ppm2 8.066   
 ASSIs {936} 43 HB1 44 HN 2.400 0.700 0.700 peak 936 volume 0.25179E-02 ppm1 1.907 ppm2 8.064   
 ASSIs {937} 43 HB2 44 HN 3.600 1.600 1.600 peak 937 volume 0.30941E-02 ppm1 1.771 ppm2 8.065  
   ORs {937} 43 HG 44 HN   
 ASSIs {945} 43 HA 44 HN 3.600 1.600 1.600 peak 945 volume 0.10608E-02 ppm1 4.256 ppm2 8.064   
 ASSI  {947} 44 HN 45 HN 2.300 0.700 0.700 peak 947 volume 0.53110E-02 ppm1 8.065 ppm2 8.423   
 ASSIs {1603} 45 HB1 46 HG1 4.200 2.200 1.800 peak 1603 volume 0.19948E-03 ppm1 1.667 ppm2 2.882   
 ASSI  {2050} 45 HB1 46 HN 2.700 0.900 0.900 peak 2050 volume 0.13328E-02 ppm1 1.661 ppm2 8.340   
 ASSIs {585} 45 HD2% 46 HN 4.900 3.000 1.100 peak 585 volume 0.36828E-03 ppm1 0.398 ppm2 8.345   
 ASSIs {586} 45 HD1% 46 HN 4.900 3.000 1.100 peak 586 volume 0.42604E-03 ppm1 0.213 ppm2 8.342   
 ASSIs {589} 45 HA 46 HN 4.100 2.100 1.900 peak 589 volume 0.33823E-03 ppm1 3.906 ppm2 8.345   
 ASSIs {796} 46 HG1 47 HN 5.000 3.100 1.000 peak 796 volume 0.31956E-03 ppm1 2.871 ppm2 8.417   
 ASSIs {797} 46 HG2 47 HN 5.400 3.600 0.600 peak 797 volume 0.37043E-03 ppm1 2.766 ppm2 8.417   
 ASSIs {549} 47 HG1 48 HN 4.200 2.200 1.800 peak 549 volume 0.51524E-03 ppm1 2.587 ppm2 8.331   
 ASSIs {550} 47 HG2 48 HN 4.400 2.400 1.600 peak 550 volume 0.56039E-03 ppm1 2.469 ppm2 8.331   
 ASSIs {551} 47 HB2 48 HN 3.600 1.600 1.600 peak 551 volume 0.21395E-02 ppm1 2.230 ppm2 8.332   
 ASSIs {236} 48 HN 49 HB% 4.300 2.300 1.700 peak 236 volume 0.74974E-03 ppm1 8.330 ppm2 1.541   
 ASSI  {3321} 48 HA 49 HN 3.700 1.700 1.700 peak 3321 volume 0.74361E-03 ppm1 3.964 ppm2 8.756   
 ASSI  {3326} 48 HB 49 HN 2.400 0.700 0.700 peak 3326 volume 0.31342E-02 ppm1 4.434 ppm2 8.758   
 ASSI  {3337} 48 HB 49 HB% 4.400 2.400 1.600 peak 3337 volume 0.57670E-03 ppm1 4.432 ppm2 1.546   
 ASSI  {366} 48 HG2% 49 HN 3.400 1.400 1.400 peak 366 volume 0.16868E-02 ppm1 1.136 ppm2 8.758   
 ASSI  {543} 48 HN 49 HN 2.500 0.800 0.800 peak 543 volume 0.39357E-02 ppm1 8.332 ppm2 8.757   
 ASSI  {237} 49 HB% 50 HN 2.600 0.900 0.900 peak 237 volume 0.44280E-02 ppm1 1.540 ppm2 8.193   
 ASSI  {2675} 49 HA 50 HN 3.400 1.400 1.400 peak 2675 volume 0.95899E-03 ppm1 3.966 ppm2 8.191   
 ASSIs {494} 49 HN 50 HB% 4.800 2.800 1.200 peak 494 volume 0.47925E-03 ppm1 8.741 ppm2 1.667   
 ASSIs {653} 49 HN 50 HN 2.600 0.800 0.800 peak 653 volume 0.30671E-02 ppm1 8.758 ppm2 8.192   
 ASSIs {680} 50 HB% 51 HN 2.500 0.800 0.800 peak 680 volume 0.43985E-02 ppm1 1.667 ppm2 8.149   
 ASSI  {652} 51 HN 52 HN 2.400 0.700 0.700 peak 652 volume 0.39415E-02 ppm1 8.149 ppm2 8.434   
 ASSIs {725} 51 HA 52 HN 3.200 1.300 1.300 peak 725 volume 0.13714E-02 ppm1 4.256 ppm2 8.433   
 ASSIs {1670} 52 HN 53 HG1 4.800 2.900 1.200 peak 1670 volume 0.21481E-03 ppm1 8.427 ppm2 2.749   
 ASSI  {2245} 52 HB1 53 HN 3.500 1.500 1.500 peak 2245 volume 0.14309E-02 ppm1 2.231 ppm2 8.992   
 ASSI  {2872} 52 HA 53 HN 3.400 1.500 1.500 peak 2872 volume 0.71475E-03 ppm1 4.332 ppm2 8.990   
 ASSIs {2987} 52 HN 53 HA 5.200 3.400 0.800 peak 2987 volume 0.21139E-03 ppm1 8.442 ppm2 4.102   
 ASSIs {606} 52 HN 53 HN 2.400 0.700 0.700 peak 606 volume 0.36438E-02 ppm1 8.436 ppm2 8.991   
 ASSIs {625} 52 HG 53 HN 4.300 2.300 1.700 peak 625 volume 0.50117E-03 ppm1 2.051 ppm2 8.992   
 ASSIs {633} 52 HB2 53 HN 2.900 1.000 1.000 peak 633 volume 0.12499E-02 ppm1 1.455 ppm2 8.992   
 ASSI  {1672} 53 HG1 54 HN 4.500 2.500 1.500 peak 1672 volume 0.57611E-03 ppm1 2.750 ppm2 8.030   
 ASSIs {216} 53 HN 54 HN 2.500 0.800 0.800 peak 216 volume 0.32961E-02 ppm1 8.992 ppm2 8.030   
 ASSIs {228} 53 HB1 54 HN 3.600 1.600 1.600 peak 228 volume 0.16255E-02 ppm1 2.517 ppm2 8.030   
 ASSIs {229} 53 HB2 54 HN 2.700 0.900 0.900 peak 229 volume 0.22859E-02 ppm1 2.378 ppm2 8.029   
 ASSIs {230} 53 HG2 54 HN 4.500 2.600 1.500 peak 230 volume 0.85329E-03 ppm1 2.304 ppm2 8.030   
 ASSIs {3139} 53 HB1 54 HB1 5.400 3.600 0.600 peak 3139 volume 0.21683E-03 ppm1 2.513 ppm2 4.127  
   ORs {3139} 53 HB1 54 HB2   
 ASSIs {3140} 53 HB2 54 HB1 4.800 2.800 1.200 peak 3140 volume 0.24866E-03 ppm1 2.375 ppm2 4.125  
   ORs {3140} 53 HB2 54 HB2   
 ASSIs {3149} 53 HN 54 HB1 5.400 3.700 0.600 peak 3149 volume 0.22683E-03 ppm1 8.992 ppm2 4.126  
   ORs {3149} 53 HN 54 HB2   
 ASSI  {1117} 55 HG1 56 HN 4.600 2.600 1.400 peak 1117 volume 0.39913E-03 ppm1 1.375 ppm2 8.174   
 ASSI  {1123} 55 HG2 56 HD% 4.400 2.500 1.600 peak 1123 volume 0.25083E-03 ppm1 1.009 ppm2 7.451   
 ASSI  {1124} 55 HG2 56 HE% 4.000 2.000 2.000 peak 1124 volume 0.45325E-03 ppm1 1.006 ppm2 6.823   
 ASSI  {1127} 55 HG1 56 HD% 4.900 3.000 1.100 peak 1127 volume 0.37695E-03 ppm1 1.382 ppm2 7.451   
 ASSI  {1484} 55 HB1 56 HD% 3.100 1.200 1.200 peak 1484 volume 0.69173E-03 ppm1 1.908 ppm2 7.453   
 ASSI  {1485} 55 HB1 56 HE% 4.100 2.100 1.900 peak 1485 volume 0.26425E-03 ppm1 1.905 ppm2 6.828   
 ASSI  {1486} 55 HB2 56 HD% 4.100 2.100 1.900 peak 1486 volume 0.11159E-02 ppm1 1.631 ppm2 7.452   
 ASSI  {1488} 55 HB2 56 HE% 4.800 2.900 1.200 peak 1488 volume 0.34936E-03 ppm1 1.626 ppm2 6.827   
 ASSI  {1489} 55 HB1 56 HN 2.800 1.000 1.000 peak 1489 volume 0.12823E-02 ppm1 1.907 ppm2 8.179   
 ASSI  {2327} 55 HD1 56 HE% 3.100 1.200 1.200 peak 2327 volume 0.96215E-03 ppm1 3.110 ppm2 6.825   
 ASSI  {2328} 55 HD2 56 HE% 3.700 1.700 1.700 peak 2328 volume 0.84872E-03 ppm1 3.034 ppm2 6.825   
 ASSI  {2331} 55 HD1 56 HD% 4.600 2.600 1.400 peak 2331 volume 0.20878E-03 ppm1 3.110 ppm2 7.456   
 ASSIs {240} 55 HB2 56 HN 3.400 1.400 1.400 peak 240 volume 0.22555E-02 ppm1 1.632 ppm2 8.175   
 ASSI  {2878} 55 HA 56 HN 3.600 1.600 1.600 peak 2878 volume 0.74351E-03 ppm1 4.117 ppm2 8.177   
 ASSIs {3401} 55 HB1 56 HE% 3.400 1.400 1.400 peak 3401 volume 0.76770E-03 ppm1 1.909 ppm2 6.824  
   ORs {3401} 55 HB1 56 HE%   
 ASSIs {3402} 55 HB2 56 HE% 3.600 1.600 1.600 peak 3402 volume 0.12620E-02 ppm1 1.647 ppm2 6.825  
   ORs {3402} 55 HB2 56 HE%   
 ASSIs {3406} 55 HD2 56 HE% 3.500 1.500 1.500 peak 3406 volume 0.12152E-02 ppm1 3.039 ppm2 6.825  
   ORs {3406} 55 HD2 56 HE%   
 ASSIs {3604} 55 HB1 56 HD% 3.000 1.100 1.100 peak 3604 volume 0.88726E-03 ppm1 1.909 ppm2 7.451  
   ORs {3604} 55 HB1 56 HD%   
 ASSIs {3605} 55 HB2 56 HD% 3.800 1.800 1.800 peak 3605 volume 0.14369E-02 ppm1 1.632 ppm2 7.450  
   ORs {3605} 55 HB2 56 HD%   
 ASSI  {758} 55 HN 56 HN 2.400 0.700 0.700 peak 758 volume 0.41616E-02 ppm1 8.070 ppm2 8.172   
 ASSIs {149} 56 HB2 57 HN 3.600 1.600 1.600 peak 149 volume 0.63042E-03 ppm1 2.797 ppm2 8.000   
 ASSIs {158} 56 HN 57 HN 2.200 0.600 0.600 peak 158 volume 0.52156E-02 ppm1 8.173 ppm2 8.000   
 ASSIs {163} 56 HB1 57 HN 4.700 2.800 1.300 peak 163 volume 0.34798E-03 ppm1 3.459 ppm2 8.002   
 ASSIs {2450} 56 HN 57 HA1 4.500 2.500 1.500 peak 2450 volume 0.10813E-02 ppm1 8.181 ppm2 4.105  
   ORs {2450} 56 HN 57 HA2   
 ASSIs {2460} 56 HB2 57 HA2 5.500 3.800 0.500 peak 2460 volume 0.15594E-03 ppm1 2.794 ppm2 4.109  
   ORs {2460} 56 HB2 57 HA1   
 ASSI  {159} 57 HN 58 HN 2.500 0.800 0.800 peak 159 volume 0.35911E-02 ppm1 8.000 ppm2 7.512   
 ASSI  {2453} 57 HA1 58 HN 2.700 0.900 0.900 peak 2453 volume 0.38901E-02 ppm1 4.107 ppm2 7.512  
   OR  {2453} 57 HA2 58 HN   
 ASSI  {2461} 57 HA2 58 HB 5.200 3.400 0.800 peak 2461 volume 0.18568E-03 ppm1 4.108 ppm2 2.134  
   OR  {2461} 57 HA1 58 HB   
 ASSIs {522} 57 HN 58 HG1% 4.100 2.100 1.900 peak 522 volume 0.54594E-03 ppm1 8.011 ppm2 0.933   
 ASSI  {1665} 58 HB 59 HA 5.600 3.900 0.400 peak 1665 volume 0.14704E-03 ppm1 2.144 ppm2 4.838   
 ASSI  {1676} 58 HB 59 HN 3.100 1.200 1.200 peak 1676 volume 0.45722E-02 ppm1 2.142 ppm2 8.490   
 ASSI  {213} 58 HN 59 HN 4.400 2.400 1.600 peak 213 volume 0.54580E-03 ppm1 7.515 ppm2 8.491   
 ASSI  {2939} 58 HA 59 HN 2.100 0.600 0.600 peak 2939 volume 0.11216E-01 ppm1 4.694 ppm2 8.490   
 ASSI  {341} 58 HG1% 59 HA 4.100 2.100 1.900 peak 341 volume 0.48803E-03 ppm1 0.933 ppm2 4.853   
 ASSI  {348} 58 HG1% 59 HN 3.600 1.600 1.600 peak 348 volume 0.17023E-02 ppm1 0.933 ppm2 8.488   
 ASSIs {1095} 59 HB2 60 HN 4.000 2.000 2.000 peak 1095 volume 0.83626E-03 ppm1 3.785 ppm2 8.232  
   ORs {1095} 59 HB1 60 HN   
 ASSIs {1097} 59 HA 60 HN 2.300 0.600 0.600 peak 1097 volume 0.81251E-02 ppm1 4.854 ppm2 8.230   
 ASSIs {1888} 59 HA 60 HB 4.700 2.800 1.300 peak 1888 volume 0.45143E-03 ppm1 4.850 ppm2 1.796   
 ASSI  {3200} 59 HB1 60 HN 4.000 2.000 2.000 peak 3200 volume 0.95466E-03 ppm1 3.807 ppm2 8.232   
 ASSI  {422} 59 HN 60 HN 3.900 1.900 1.900 peak 422 volume 0.13933E-02 ppm1 8.491 ppm2 8.228   
 ASSIs {1285} 60 HA 61 HG1 4.900 3.100 1.100 peak 1285 volume 0.69130E-03 ppm1 4.685 ppm2 2.172  
   ORs {1285} 60 HA 61 HG2   
 ASSI  {1886} 60 HB 61 HD2 4.100 2.100 1.900 peak 1886 volume 0.96118E-03 ppm1 1.798 ppm2 3.580   
 ASSI  {1887} 60 HB 61 HD1 4.600 2.600 1.400 peak 1887 volume 0.65684E-03 ppm1 1.798 ppm2 4.020   
 ASSI  {191} 60 HG2% 61 HD2 2.600 0.800 0.800 peak 191 volume 0.36720E-02 ppm1 1.032 ppm2 3.582   
 ASSIs {2472} 60 HD1% 61 HD1 5.600 4.000 0.400 peak 2472 volume 0.39736E-03 ppm1 0.849 ppm2 4.023   
 ASSIs {2473} 60 HD1% 61 HD2 5.400 3.600 0.600 peak 2473 volume 0.35761E-03 ppm1 0.853 ppm2 3.583   
 ASSIs {2478} 60 HA 61 HD1 2.000 0.500 0.500 peak 2478 volume 0.92974E-02 ppm1 4.679 ppm2 4.022   
 ASSIs {2480} 60 HA 61 HD2 2.300 0.700 0.700 peak 2480 volume 0.61295E-02 ppm1 4.679 ppm2 3.583   
 ASSIs {1000} 61 HB1 62 HN 3.500 1.500 1.500 peak 1000 volume 0.17720E-02 ppm1 2.566 ppm2 8.856   
 ASSIs {1001} 61 HG1 62 HN 5.100 3.300 0.900 peak 1001 volume 0.59018E-03 ppm1 2.160 ppm2 8.856  
   ORs {1001} 61 HG2 62 HN   
 ASSI  {1554} 61 HB2 62 HN 4.300 2.300 1.700 peak 1554 volume 0.53631E-03 ppm1 2.066 ppm2 8.858   
 ASSI  {3150} 61 HA 62 HN 2.000 0.500 0.500 peak 3150 volume 0.12829E-01 ppm1 4.543 ppm2 8.858   
 ASSIs {995} 61 HD2 62 HN 5.600 3.900 0.400 peak 995 volume 0.20007E-03 ppm1 3.585 ppm2 8.857   
 ASSI  {1958} 62 HB1 63 HN 3.800 1.800 1.800 peak 1958 volume 0.92711E-03 ppm1 2.850 ppm2 8.691   
 ASSI  {1972} 62 HB2 63 HN 3.500 1.600 1.600 peak 1972 volume 0.69626E-03 ppm1 2.751 ppm2 8.691   
 ASSIs {417} 62 HA 63 HN 3.100 1.200 1.200 peak 417 volume 0.20457E-02 ppm1 4.443 ppm2 8.691   
 ASSIs {421} 62 HN 63 HN 2.800 1.000 1.000 peak 421 volume 0.24431E-02 ppm1 8.858 ppm2 8.690   
 ASSI  {2603} 63 HA 64 HN 3.000 1.100 1.100 peak 2603 volume 0.24336E-02 ppm1 4.509 ppm2 7.392   
 ASSI  {420} 63 HN 64 HN 2.500 0.800 0.800 peak 420 volume 0.37809E-02 ppm1 8.690 ppm2 7.393   
 ASSIs {595} 63 HB1 64 HN 3.400 1.400 1.400 peak 595 volume 0.87071E-03 ppm1 2.783 ppm2 7.392  
   ORs {595} 63 HB2 64 HN   
 ASSI  {1551} 64 HB 65 HN 2.600 0.800 0.800 peak 1551 volume 0.32893E-02 ppm1 2.215 ppm2 8.217   
 ASSIs {2612} 64 HB 65 HA 4.200 2.200 1.800 peak 2612 volume 0.34087E-03 ppm1 2.214 ppm2 3.972   
 ASSI  {3222} 64 HA 65 HN 3.200 1.300 1.300 peak 3222 volume 0.11948E-02 ppm1 3.789 ppm2 8.221   
 ASSIs {500} 64 HB 65 HB% 2.900 2.900 3.100 peak 500 volume 0.75587E-03 ppm1 2.209 ppm2 1.394   
 ASSI  {574} 64 HG1% 65 HA 3.200 1.300 1.300 peak 574 volume 0.13159E-02 ppm1 0.994 ppm2 3.969   
 ASSI  {594} 64 HN 65 HB% 4.400 2.500 1.600 peak 594 volume 0.74507E-03 ppm1 7.392 ppm2 1.390   
 ASSI  {603} 64 HN 65 HA 5.400 3.600 0.600 peak 603 volume 0.25002E-03 ppm1 7.396 ppm2 3.966   
 ASSIs {836} 64 HG1% 65 HN 3.100 1.200 1.200 peak 836 volume 0.33391E-02 ppm1 1.003 ppm2 8.216   
 ASSIs {887} 64 HN 65 HN 2.300 0.600 0.600 peak 887 volume 0.57928E-02 ppm1 7.392 ppm2 8.215   
 ASSI  {246} 65 HB% 66 HN 2.800 0.900 0.900 peak 246 volume 0.28773E-02 ppm1 1.394 ppm2 7.996   
 ASSI  {2598} 65 HA 66 HN 3.200 1.300 1.300 peak 2598 volume 0.16442E-02 ppm1 3.968 ppm2 7.997   
 ASSI  {285} 65 HB% 66 HA1 4.000 2.000 2.000 peak 285 volume 0.90940E-03 ppm1 1.395 ppm2 4.149   
 ASSI  {888} 65 HN 66 HN 2.700 0.900 0.900 peak 888 volume 0.29063E-02 ppm1 8.215 ppm2 7.995   
 ASSIs {2662} 66 HA2 67 HA 4.800 2.900 1.200 peak 2662 volume 0.18002E-03 ppm1 3.912 ppm2 4.667   
 ASSIs {423} 66 HN 67 HN 2.600 0.800 0.800 peak 423 volume 0.34614E-02 ppm1 7.996 ppm2 7.482   
 ASSIs {427} 66 HA1 67 HN 3.700 1.700 1.700 peak 427 volume 0.80463E-03 ppm1 4.141 ppm2 7.485   
 ASSIs {428} 66 HA2 67 HN 3.200 1.300 1.300 peak 428 volume 0.12871E-02 ppm1 3.915 ppm2 7.483   
 ASSI  {1512} 67 HB2 68 HN 4.800 2.800 1.200 peak 1512 volume 0.29437E-03 ppm1 1.903 ppm2 7.247   
 ASSI  {1527} 67 HB1 68 HG1% 4.300 2.300 1.700 peak 1527 volume 0.23655E-03 ppm1 2.088 ppm2 1.159   
 ASSI  {1528} 67 HB2 68 HG1% 5.500 3.700 0.500 peak 1528 volume 0.20897E-03 ppm1 1.897 ppm2 1.157   
 ASSI  {2670} 67 HA 68 HN 3.000 1.100 1.100 peak 2670 volume 0.22232E-02 ppm1 4.661 ppm2 7.244   
 ASSIs {292} 67 HB1 68 HN 3.300 1.300 1.300 peak 292 volume 0.61923E-03 ppm1 2.087 ppm2 7.245   
 ASSIs {294} 67 HG1 68 HN 3.800 1.800 1.800 peak 294 volume 0.73971E-03 ppm1 1.789 ppm2 7.244  
   ORs {294} 67 HG2 68 HN   
 ASSIs {303} 67 HN 68 HN 2.200 0.600 0.600 peak 303 volume 0.66701E-02 ppm1 7.486 ppm2 7.247   
 ASSI  {436} 67 HN 68 HG2% 4.300 2.300 1.700 peak 436 volume 0.69052E-03 ppm1 7.482 ppm2 1.250   
 ASSI  {437} 67 HN 68 HG1% 4.400 2.400 1.600 peak 437 volume 0.69908E-03 ppm1 7.483 ppm2 1.157   
 ASSIs {2368} 68 HA 69 HB2 4.900 3.000 1.100 peak 2368 volume 0.38959E-03 ppm1 4.433 ppm2 2.890   
 ASSIs {2661} 68 HA 69 HA 4.400 2.400 1.600 peak 2661 volume 0.52716E-03 ppm1 4.439 ppm2 5.268   
 ASSI  {3046} 68 HA 69 HB1 4.800 2.900 1.200 peak 3046 volume 0.78804E-03 ppm1 4.439 ppm2 3.025   
 ASSI  {3054} 68 HA 69 HN 1.900 0.500 0.500 peak 3054 volume 0.12329E-01 ppm1 4.438 ppm2 9.185   
 ASSI  {410} 68 HG1% 69 HN 3.900 1.900 1.900 peak 410 volume 0.17806E-02 ppm1 1.158 ppm2 9.186   
 ASSI  {544} 68 HG2% 69 HN 4.000 2.000 2.000 peak 544 volume 0.91719E-03 ppm1 1.247 ppm2 9.186   
 ASSI  {547} 68 HG2% 69 HA 4.100 2.100 1.900 peak 547 volume 0.36967E-03 ppm1 1.251 ppm2 5.271   
 ASSIs {771} 68 HB 69 HN 2.900 1.000 1.000 peak 771 volume 0.25136E-02 ppm1 2.436 ppm2 9.185   
 ASSIs {777} 68 HN 69 HN 4.600 2.600 1.400 peak 777 volume 0.45387E-03 ppm1 7.246 ppm2 9.185   
 ASSIs {131} 69 HN 70 HN 2.100 0.600 0.600 peak 131 volume 0.58473E-02 ppm1 9.186 ppm2 7.491   
 ASSI  {2363} 69 HB1 70 HN 3.800 1.800 1.800 peak 2363 volume 0.97286E-03 ppm1 3.024 ppm2 7.491   
 ASSI  {2364} 69 HB2 70 HN 3.600 1.600 1.600 peak 2364 volume 0.94098E-03 ppm1 2.889 ppm2 7.489   
 ASSI  {2370} 69 HB1 70 HG2% 3.000 1.200 1.200 peak 2370 volume 0.17346E-02 ppm1 3.021 ppm2 1.102   
 ASSI  {2663} 69 HA 70 HN 3.200 1.300 1.300 peak 2663 volume 0.15393E-02 ppm1 5.271 ppm2 7.489   
 ASSIs {393} 69 HB2 70 HG2% 2.900 1.100 1.100 peak 393 volume 0.27333E-02 ppm1 2.888 ppm2 1.101   
 ASSIs {579} 69 HN 70 HG2% 4.200 2.200 1.800 peak 579 volume 0.65256E-03 ppm1 9.186 ppm2 1.099   
 ASSIs {597} 69 HA 70 HG2% 3.000 1.200 1.200 peak 597 volume 0.60468E-03 ppm1 5.268 ppm2 1.099   
 ASSIs {1070} 70 HA 71 HG1 5.400 3.600 0.600 peak 1070 volume 0.25550E-03 ppm1 4.967 ppm2 2.209   
 ASSIs {2489} 70 HG2% 71 HD1 3.700 1.800 1.800 peak 2489 volume 0.16350E-02 ppm1 1.095 ppm2 4.032   
 ASSIs {2495} 70 HA 71 HD1 2.300 0.600 0.600 peak 2495 volume 0.26065E-02 ppm1 4.968 ppm2 4.034   
 ASSI  {2774} 70 HA 71 HD2 2.700 0.900 0.900 peak 2774 volume 0.46454E-02 ppm1 4.968 ppm2 2.786   
 ASSI  {2784} 70 HA 71 HB2 4.800 2.800 1.200 peak 2784 volume 0.59198E-03 ppm1 4.976 ppm2 2.023   
 ASSIs {3256} 70 HN 71 HA 5.200 3.400 0.800 peak 3256 volume 0.18874E-03 ppm1 7.497 ppm2 4.243   
 ASSI  {3368} 70 HB 71 HD2 2.500 0.800 0.800 peak 3368 volume 0.18694E-02 ppm1 4.641 ppm2 2.781   
 ASSI  {3370} 70 HB 71 HD1 3.200 1.300 1.300 peak 3370 volume 0.29084E-02 ppm1 4.640 ppm2 4.034   
 ASSI  {623} 70 HG2% 71 HD2 3.900 1.900 1.900 peak 623 volume 0.11031E-02 ppm1 1.101 ppm2 2.785   
 ASSI  {1108} 71 HG1 72 HN 5.000 3.100 1.000 peak 1108 volume 0.30192E-03 ppm1 2.200 ppm2 9.001   
 ASSI  {1552} 71 HB1 72 HN 4.400 2.500 1.600 peak 1552 volume 0.47935E-03 ppm1 2.262 ppm2 9.006   
 ASSI  {2498} 71 HD1 72 HN 4.000 2.000 2.000 peak 2498 volume 0.87466E-03 ppm1 4.033 ppm2 9.003   
 ASSIs {2997} 71 HB2 72 HA 4.100 2.100 1.900 peak 2997 volume 0.32758E-03 ppm1 2.011 ppm2 3.619   
 ASSI  {3261} 71 HA 72 HN 3.500 1.500 1.500 peak 3261 volume 0.60195E-03 ppm1 4.249 ppm2 9.005   
 ASSIs {499} 71 HB2 72 HN 2.700 0.900 0.900 peak 499 volume 0.12423E-02 ppm1 2.025 ppm2 9.001   
 ASSIs {511} 71 HD2 72 HN 3.300 1.400 1.400 peak 511 volume 0.51319E-03 ppm1 2.790 ppm2 9.003   
 ASSI  {2982} 72 HA 73 HN 3.600 1.600 1.600 peak 2982 volume 0.58137E-03 ppm1 3.619 ppm2 7.843   
 ASSIs {395} 72 HN 73 HN 2.700 0.900 0.900 peak 395 volume 0.19876E-02 ppm1 9.002 ppm2 7.841   
 ASSIs {404} 72 HB1 73 HN 3.500 1.500 1.500 peak 404 volume 0.82098E-03 ppm1 1.873 ppm2 7.842   
 ASSIs {405} 72 HB2 73 HN 3.200 1.300 1.300 peak 405 volume 0.16090E-02 ppm1 1.627 ppm2 7.840   
 ASSIs {406} 72 HG2 73 HN 3.500 1.500 1.500 peak 406 volume 0.50633E-03 ppm1 1.514 ppm2 7.840   
 ASSI  {1422} 73 HB1 74 HN 3.900 1.900 1.900 peak 1422 volume 0.86619E-03 ppm1 2.478 ppm2 7.694   
 ASSI  {1718} 73 HG1 74 HN 5.100 3.300 0.900 peak 1718 volume 0.28752E-03 ppm1 2.653 ppm2 7.709   
 ASSI  {1721} 73 HG2 74 HN 4.900 3.000 1.100 peak 1721 volume 0.37117E-03 ppm1 2.490 ppm2 7.697   
 ASSI  {2934} 73 HA 74 HN 3.400 1.400 1.400 peak 2934 volume 0.11596E-02 ppm1 4.247 ppm2 7.696   
 ASSI  {396} 73 HN 74 HN 2.500 0.800 0.800 peak 396 volume 0.33747E-02 ppm1 7.841 ppm2 7.703   
 ASSIs {713} 73 HB2 74 HN 2.900 1.100 1.100 peak 713 volume 0.91373E-03 ppm1 2.288 ppm2 7.697   
 ASSI  {1098} 74 HG 75 HN 4.700 2.700 1.300 peak 1098 volume 0.44625E-03 ppm1 0.997 ppm2 8.742   
 ASSI  {2142} 74 HB1 75 HA 4.400 2.400 1.600 peak 2142 volume 0.26395E-03 ppm1 2.432 ppm2 3.894   
 ASSI  {2160} 74 HB2 75 HN 4.100 2.100 1.900 peak 2160 volume 0.10708E-02 ppm1 1.717 ppm2 8.733   
 ASSI  {648} 74 HD1% 75 HN 3.900 1.900 1.900 peak 648 volume 0.60409E-03 ppm1 1.077 ppm2 8.735  
   OR  {648} 74 HD2% 75 HN   
 ASSI  {698} 74 HN 75 HN 2.500 0.800 0.800 peak 698 volume 0.37760E-02 ppm1 7.695 ppm2 8.736   
 ASSIs {787} 74 HB1 75 HN 2.400 0.700 0.700 peak 787 volume 0.24513E-02 ppm1 2.434 ppm2 8.736   
 ASSIs {790} 74 HA 75 HN 3.600 1.600 1.600 peak 790 volume 0.73164E-03 ppm1 4.331 ppm2 8.735   
 ASSIs {470} 75 HD2% 76 HN 4.300 2.400 1.700 peak 470 volume 0.89923E-03 ppm1 0.889 ppm2 8.703   
 ASSIs {471} 75 HD1% 76 HN 4.600 2.600 1.400 peak 471 volume 0.55110E-03 ppm1 0.805 ppm2 8.702   
 ASSIs {474} 75 HB2 76 HN 3.700 1.700 1.700 peak 474 volume 0.20524E-02 ppm1 1.552 ppm2 8.703   
 ASSIs {477} 75 HB1 76 HN 2.300 0.700 0.700 peak 477 volume 0.37624E-02 ppm1 2.215 ppm2 8.704   
 ASSIs {481} 75 HA 76 HN 3.600 1.600 1.600 peak 481 volume 0.84458E-03 ppm1 3.904 ppm2 8.703   
 ASSI  {1867} 76 HB1 77 HN 3.200 1.200 1.200 peak 1867 volume 0.11052E-02 ppm1 2.786 ppm2 8.020   
 ASSI  {1868} 76 HB2 77 HN 3.800 1.800 1.800 peak 1868 volume 0.15317E-02 ppm1 2.724 ppm2 8.021   
 ASSI  {2730} 76 HA 77 HN 3.400 1.500 1.500 peak 2730 volume 0.10725E-02 ppm1 4.497 ppm2 8.021   
 ASSI  {452} 76 HN 77 HN 2.600 0.800 0.800 peak 452 volume 0.34241E-02 ppm1 8.704 ppm2 8.023   
 ASSIs {1800} 77 HN 78 HB 5.100 3.300 0.900 peak 1800 volume 0.22816E-03 ppm1 8.012 ppm2 1.956   
 ASSI  {2252} 77 HB2 78 HN 3.600 1.600 1.600 peak 2252 volume 0.17873E-02 ppm1 1.919 ppm2 8.286   
 ASSI  {2870} 77 HA 78 HN 3.400 1.400 1.400 peak 2870 volume 0.11697E-02 ppm1 4.287 ppm2 8.299   
 ASSIs {3195} 77 HN 78 HA 5.400 3.700 0.600 peak 3195 volume 0.18902E-03 ppm1 8.029 ppm2 3.760   
 ASSIs {656} 77 HN 78 HN 2.400 0.700 0.700 peak 656 volume 0.42794E-02 ppm1 8.018 ppm2 8.284   
 ASSI  {1340} 78 HG11 79 HN 4.800 2.900 1.200 peak 1340 volume 0.33049E-03 ppm1 1.736 ppm2 8.883   
 ASSI  {200} 78 HG2% 79 HA 3.300 1.300 1.300 peak 200 volume 0.96891E-03 ppm1 0.876 ppm2 4.920   
 ASSI  {207} 78 HG2% 79 HN 3.500 1.600 1.600 peak 207 volume 0.13210E-02 ppm1 0.874 ppm2 8.884   
 ASSI  {3197} 78 HA 79 HN 3.400 1.400 1.400 peak 3197 volume 0.10419E-02 ppm1 3.757 ppm2 8.881   
 ASSIs {493} 78 HG12 79 HN 5.100 3.200 0.900 peak 493 volume 0.42061E-03 ppm1 1.307 ppm2 8.876   
 ASSIs {502} 78 HB 79 HN 2.500 0.800 0.800 peak 502 volume 0.39411E-02 ppm1 1.952 ppm2 8.881   
 ASSIs {525} 78 HN 79 HN 2.400 0.700 0.700 peak 525 volume 0.41352E-02 ppm1 8.286 ppm2 8.880   
 ASSIs {170} 79 HB1 80 HN 3.700 1.700 1.700 peak 170 volume 0.14025E-02 ppm1 3.100 ppm2 8.443   
 ASSIs {171} 79 HB2 80 HN 3.100 1.200 1.200 peak 171 volume 0.11454E-02 ppm1 2.779 ppm2 8.443   
 ASSIs {175} 79 HA 80 HN 3.300 1.400 1.400 peak 175 volume 0.90828E-03 ppm1 4.918 ppm2 8.444   
 ASSIs {178} 79 HN 80 HN 2.600 0.900 0.900 peak 178 volume 0.32668E-02 ppm1 8.879 ppm2 8.443   
 ASSIs {2436} 79 HB1 80 HA2 4.600 2.700 1.400 peak 2436 volume 0.33087E-03 ppm1 3.087 ppm2 4.035  
   ORs {2436} 79 HB1 80 HA1   
 ASSIs {2437} 79 HB2 80 HA2 4.500 2.500 1.500 peak 2437 volume 0.34274E-03 ppm1 2.762 ppm2 4.042  
   ORs {2437} 79 HB2 80 HA1   
 ASSIs {2441} 79 HA 80 HA2 4.700 2.700 1.300 peak 2441 volume 0.24095E-03 ppm1 4.929 ppm2 4.037  
   ORs {2441} 79 HA 80 HA1   
 ASSIs {2447} 79 HN 80 HA1 5.000 3.100 1.000 peak 2447 volume 0.46810E-03 ppm1 8.877 ppm2 4.035  
   ORs {2447} 79 HN 80 HA2   
 ASSI  {177} 80 HN 81 HN 2.500 0.800 0.800 peak 177 volume 0.43634E-02 ppm1 8.444 ppm2 7.607   
 ASSI  {2440} 80 HA1 81 HA 3.800 1.800 1.800 peak 2440 volume 0.79933E-03 ppm1 4.033 ppm2 4.477  
   OR  {2440} 80 HA2 81 HA   
 ASSI  {2444} 80 HA1 81 HN 2.800 1.000 1.000 peak 2444 volume 0.36411E-02 ppm1 4.035 ppm2 7.609  
   OR  {2444} 80 HA2 81 HN   
 ASSI  {1052} 81 HN 82 HB1 4.900 3.000 1.100 peak 1052 volume 0.41036E-03 ppm1 7.604 ppm2 2.028   
 ASSI  {2531} 81 HA 82 HN 3.400 1.500 1.500 peak 2531 volume 0.13028E-02 ppm1 4.465 ppm2 8.301   
 ASSIs {2714} 81 HN 82 HA 5.700 4.100 0.300 peak 2714 volume 0.16475E-03 ppm1 7.612 ppm2 4.217   
 ASSI  {519} 81 HB% 82 HN 2.700 0.900 0.900 peak 519 volume 0.33814E-02 ppm1 1.641 ppm2 8.299   
 ASSIs {650} 81 HN 82 HN 2.400 0.700 0.700 peak 650 volume 0.46828E-02 ppm1 7.609 ppm2 8.299   
 ASSI  {2237} 82 HB2 83 HN 3.600 1.600 1.600 peak 2237 volume 0.78283E-03 ppm1 1.576 ppm2 7.967   
 ASSIs {2529} 82 HN 83 HA 5.800 4.200 0.200 peak 2529 volume 0.14614E-03 ppm1 8.302 ppm2 4.300   
 ASSIs {806} 82 HN 83 HN 2.400 0.700 0.700 peak 806 volume 0.47692E-02 ppm1 8.298 ppm2 7.966   
 ASSIs {815} 82 HA 83 HN 3.200 1.200 1.200 peak 815 volume 0.16687E-02 ppm1 4.216 ppm2 7.967   
 ASSIs {823} 82 HB1 83 HN 2.900 1.000 1.000 peak 823 volume 0.23008E-02 ppm1 2.025 ppm2 7.967   
 ASSIs {824} 82 HG 83 HN 4.300 2.300 1.700 peak 824 volume 0.52730E-03 ppm1 1.852 ppm2 7.965   
 ASSIs {825} 82 HD2% 83 HN 3.300 1.400 1.400 peak 825 volume 0.12235E-02 ppm1 0.990 ppm2 7.968  
   ORs {825} 82 HD1% 83 HN   
 ASSI  {2528} 83 HA 84 HN 3.000 1.100 1.100 peak 2528 volume 0.27571E-02 ppm1 4.298 ppm2 7.752   
 ASSI  {293} 83 HB% 84 HA 3.900 1.900 1.900 peak 293 volume 0.64113E-03 ppm1 1.621 ppm2 4.409   
 ASSIs {451} 83 HN 84 HN 2.700 0.900 0.900 peak 451 volume 0.34568E-02 ppm1 7.960 ppm2 7.753   
 ASSI  {516} 83 HB% 84 HN 2.900 1.000 1.000 peak 516 volume 0.29389E-02 ppm1 1.621 ppm2 7.753   
 ASSIs {1027} 84 HN 85 HN 2.600 0.800 0.800 peak 1027 volume 0.41217E-02 ppm1 7.747 ppm2 7.836   
 ASSIs {1046} 84 HB1 85 HN 4.000 2.000 2.000 peak 1046 volume 0.63981E-03 ppm1 2.288 ppm2 7.832   
 ASSIs {1047} 84 HB2 85 HN 3.700 1.700 1.700 peak 1047 volume 0.79470E-03 ppm1 2.142 ppm2 7.836   
 ASSI  {2708} 84 HA 85 HN 3.000 1.100 1.100 peak 2708 volume 0.24694E-02 ppm1 4.395 ppm2 7.840   
 ASSI  {2502} 85 HA 86 HN 3.000 1.100 1.100 peak 2502 volume 0.22234E-02 ppm1 4.485 ppm2 7.952   
 ASSI  {523} 85 HB% 86 HN 3.500 1.500 1.500 peak 523 volume 0.99179E-03 ppm1 1.584 ppm2 7.954   
    
 ASSI  {2491} 2 HA 2 HB% 2.600 0.900 0.900 peak 2491 volume 0.44144E-02 ppm1 4.296 ppm2 1.661   
 ASSI  {3357} 3 HB 3 HA 2.200 0.600 0.600 peak 3357 volume 0.97724E-02 ppm1 4.204 ppm2 4.408   
 ASSI  {480} 3 HN 3 HB 3.600 1.600 1.600 peak 480 volume 0.10107E-02 ppm1 8.683 ppm2 4.217   
 ASSI  {638} 3 HG2% 3 HB 2.500 0.800 0.800 peak 638 volume 0.52667E-02 ppm1 1.395 ppm2 4.203   
 ASSI  {639} 3 HG2% 3 HA 2.800 1.000 1.000 peak 639 volume 0.33346E-02 ppm1 1.393 ppm2 4.407   
 ASSI  {1065} 4 HN 4 HG 3.100 1.200 1.200 peak 1065 volume 0.45609E-02 ppm1 8.146 ppm2 1.717   
 ASSI  {1066} 4 HN 4 HB1 2.900 1.100 1.100 peak 1066 volume 0.52886E-02 ppm1 8.145 ppm2 1.616   
 ASSI  {1067} 4 HN 4 HB2 2.700 0.900 0.900 peak 1067 volume 0.24792E-02 ppm1 8.145 ppm2 1.496   
 ASSI  {1070} 4 HN 4 HD1% 3.400 1.500 1.500 peak 1070 volume 0.11494E-02 ppm1 8.147 ppm2 0.894   
 ASSI  {1188} 4 HG 4 HB2 2.400 0.700 0.700 peak 1188 volume 0.85495E-02 ppm1 1.716 ppm2 1.500   
 ASSI  {1205} 4 HG 4 HA 2.900 1.000 1.000 peak 1205 volume 0.14331E-02 ppm1 1.717 ppm2 4.384   
 ASSI  {2213} 4 HB2 4 HB1 1.700 0.400 0.500 peak 2213 volume 0.12175E-01 ppm1 1.494 ppm2 1.616   
 ASSI  {2575} 4 HA 4 HB2 2.700 0.900 0.900 peak 2575 volume 0.38029E-02 ppm1 4.382 ppm2 1.498   
 ASSI  {2577} 4 HA 4 HB1 2.700 0.900 0.900 peak 2577 volume 0.36666E-02 ppm1 4.384 ppm2 1.618   
 ASSI  {2580} 4 HA 4 HN 2.700 0.900 0.900 peak 2580 volume 0.23540E-02 ppm1 4.385 ppm2 8.145   
 ASSI  {707} 4 HD1% 4 HG 2.300 0.700 0.700 peak 707 volume 0.51942E-02 ppm1 0.897 ppm2 1.714   
 ASSI  {709} 4 HD1% 4 HB2 2.700 0.900 0.900 peak 709 volume 0.28181E-02 ppm1 0.895 ppm2 1.483   
 ASSI  {755} 4 HD1% 4 HA 2.300 0.700 0.700 peak 755 volume 0.71533E-02 ppm1 0.896 ppm2 4.386   
 ASSI  {1085} 5 HN 5 HD2% 3.900 1.900 1.900 peak 1085 volume 0.10269E-02 ppm1 9.421 ppm2 0.670   
 ASSI  {1229} 5 HG 5 HN 2.800 1.000 1.000 peak 1229 volume 0.14708E-02 ppm1 1.581 ppm2 9.421   
 ASSI  {1237} 5 HG 5 HA 3.300 1.300 1.300 peak 1237 volume 0.12935E-02 ppm1 1.579 ppm2 4.539   
 ASSI  {1247} 5 HG 5 HB2 2.200 0.600 0.600 peak 1247 volume 0.67295E-02 ppm1 1.580 ppm2 1.338   
 ASSI  {2194} 5 HB1 5 HD2% 2.500 0.800 0.800 peak 2194 volume 0.37202E-02 ppm1 1.615 ppm2 0.655  
   OR  {2194} 5 HB1 5 HD1%   
 ASSI  {2195} 5 HB2 5 HD1% 2.600 0.900 0.900 peak 2195 volume 0.32936E-02 ppm1 1.336 ppm2 0.660  
   OR  {2195} 5 HB2 5 HD2%   
 ASSI  {2220} 5 HB1 5 HA 2.500 0.800 0.800 peak 2220 volume 0.26484E-02 ppm1 1.614 ppm2 4.538   
 ASSI  {2250} 5 HB2 5 HN 2.400 0.700 0.700 peak 2250 volume 0.32594E-02 ppm1 1.336 ppm2 9.421   
 ASSI  {2585} 5 HA 5 HN 2.700 0.900 0.900 peak 2585 volume 0.23434E-02 ppm1 4.537 ppm2 9.421   
 ASSI  {2642} 5 HA 5 HD2% 2.600 0.800 0.800 peak 2642 volume 0.34194E-02 ppm1 4.535 ppm2 0.668  
   OR  {2642} 5 HA 5 HD1%   
 ASSI  {2644} 5 HA 5 HB1 2.400 0.700 0.700 peak 2644 volume 0.43078E-02 ppm1 4.537 ppm2 1.601  
   OR  {2644} 5 HA 5 HG   
 ASSI  {2646} 5 HA 5 HB2 2.900 1.000 1.000 peak 2646 volume 0.32519E-02 ppm1 4.535 ppm2 1.334   
 ASSI  {906} 5 HD2% 5 HB2 3.500 1.500 1.500 peak 906 volume 0.23565E-02 ppm1 0.680 ppm2 1.335   
 ASSI  {908} 5 HD1% 5 HG 2.300 0.700 0.700 peak 908 volume 0.51670E-02 ppm1 0.644 ppm2 1.594  
   OR  {908} 5 HD1% 5 HB1   
 ASSI  {927} 5 HD2% 5 HA 2.600 0.900 0.900 peak 927 volume 0.27882E-02 ppm1 0.682 ppm2 4.539   
 ASSI  {966} 5 HD1% 5 HN 5.200 3.400 0.800 peak 966 volume 0.21183E-03 ppm1 0.636 ppm2 9.436   
 ASSI  {307} 6 HN 6 HA 3.100 1.200 1.200 peak 307 volume 0.10324E-02 ppm1 8.997 ppm2 4.783   
 ASSI  {385} 6 HG2% 6 HA 2.600 0.900 0.900 peak 385 volume 0.43110E-02 ppm1 1.431 ppm2 4.784   
 ASSI  {581} 6 HG2% 6 HN 2.500 0.800 0.800 peak 581 volume 0.51480E-02 ppm1 1.431 ppm2 8.996   
 ASSI  {607} 6 HG2% 6 HB 2.200 0.600 0.600 peak 607 volume 0.93125E-02 ppm1 1.431 ppm2 4.870   
 ASSI  {3325} 7 HB 7 HN 2.600 0.900 0.900 peak 3325 volume 0.28434E-02 ppm1 4.341 ppm2 8.853   
 ASSI  {348} 7 HN 7 HA 2.700 0.900 0.900 peak 348 volume 0.27724E-02 ppm1 8.852 ppm2 3.881   
 ASSI  {766} 7 HG2% 7 HA 2.500 0.800 0.800 peak 766 volume 0.46141E-02 ppm1 1.403 ppm2 3.883   
 ASSI  {767} 7 HG2% 7 HB 2.300 0.700 0.700 peak 767 volume 0.67777E-02 ppm1 1.403 ppm2 4.341   
 ASSI  {1975} 8 HB1 8 HN 2.500 0.800 0.800 peak 1975 volume 0.59018E-02 ppm1 2.729 ppm2 8.281  
   OR  {1975} 8 HB2 8 HN   
 ASSI  {1983} 8 HB2 8 HA 2.500 0.800 0.800 peak 1983 volume 0.57295E-02 ppm1 2.729 ppm2 4.637  
   OR  {1983} 8 HB1 8 HA   
 ASSI  {672} 8 HN 8 HA 2.900 1.000 1.000 peak 672 volume 0.24591E-02 ppm1 8.281 ppm2 4.638   
 ASSI  {2753} 9 HA 9 HN 2.800 1.000 1.000 peak 2753 volume 0.25367E-02 ppm1 4.571 ppm2 7.909   
 ASSI  {2771} 9 HA 9 HB1 2.800 1.000 1.000 peak 2771 volume 0.26880E-02 ppm1 4.569 ppm2 3.057   
 ASSI  {706} 9 HN 9 HB1 3.100 1.200 1.200 peak 706 volume 0.35760E-02 ppm1 7.905 ppm2 3.053   
 ASSI  {1256} 10 HD2% 10 HG 2.200 0.600 0.600 peak 1256 volume 0.72740E-02 ppm1 1.140 ppm2 1.903   
 ASSI  {1268} 10 HD2% 10 HB1 2.500 0.800 0.800 peak 1268 volume 0.38393E-02 ppm1 1.140 ppm2 2.354   
 ASSI  {1292} 10 HD2% 10 HN 4.800 2.900 1.200 peak 1292 volume 0.62730E-03 ppm1 1.139 ppm2 8.100   
 ASSI  {2093} 10 HB1 10 HB2 1.700 0.300 0.500 peak 2093 volume 0.11672E-01 ppm1 2.355 ppm2 1.578   
 ASSI  {2094} 10 HB1 10 HG 2.500 0.800 0.800 peak 2094 volume 0.26585E-02 ppm1 2.354 ppm2 1.904   
 ASSI  {2113} 10 HB2 10 HG 3.100 1.200 1.200 peak 2113 volume 0.19570E-02 ppm1 1.576 ppm2 1.891   
 ASSI  {2131} 10 HB2 10 HA 2.400 0.700 0.700 peak 2131 volume 0.38078E-02 ppm1 1.579 ppm2 4.226   
 ASSI  {2802} 10 HA 10 HN 2.800 0.900 0.900 peak 2802 volume 0.24408E-02 ppm1 4.225 ppm2 8.101   
 ASSI  {2808} 10 HA 10 HB1 3.000 1.100 1.100 peak 2808 volume 0.25587E-02 ppm1 4.223 ppm2 2.356   
 ASSI  {2827} 10 HA 10 HG 3.000 1.100 1.100 peak 2827 volume 0.20261E-02 ppm1 4.223 ppm2 1.901   
 ASSI  {723} 10 HD1% 10 HG 2.300 0.700 0.700 peak 723 volume 0.63650E-02 ppm1 1.060 ppm2 1.898   
 ASSI  {730} 10 HD1% 10 HB1 3.500 1.600 1.600 peak 730 volume 0.21298E-02 ppm1 1.059 ppm2 2.355   
 ASSI  {762} 10 HD1% 10 HA 2.200 0.600 0.600 peak 762 volume 0.91485E-02 ppm1 1.058 ppm2 4.225   
 ASSI  {818} 10 HN 10 HB1 2.500 0.800 0.800 peak 818 volume 0.49991E-02 ppm1 8.099 ppm2 2.355   
 ASSI  {820} 10 HN 10 HB2 2.400 0.700 0.700 peak 820 volume 0.45702E-02 ppm1 8.100 ppm2 1.579   
 ASSI  {834} 10 HN 10 HG 4.600 2.600 1.400 peak 834 volume 0.66760E-03 ppm1 8.099 ppm2 1.907   
 ASSI  {1184} 11 HG2 11 HG1 1.900 0.400 0.400 peak 1184 volume 0.66560E-02 ppm1 1.149 ppm2 1.409   
 ASSI  {1185} 11 HG2 11 HB1 2.700 0.900 0.900 peak 1185 volume 0.26171E-02 ppm1 1.147 ppm2 2.045  
   OR  {1185} 11 HG2 11 HB2   
 ASSI  {1186} 11 HG1 11 HB2 2.800 1.000 1.000 peak 1186 volume 0.17179E-02 ppm1 1.398 ppm2 2.060  
   OR  {1186} 11 HG1 11 HB1   
 ASSI  {1198} 11 HG1 11 HD2 2.500 0.800 0.800 peak 1198 volume 0.29764E-02 ppm1 1.401 ppm2 3.203   
 ASSI  {1200} 11 HG2 11 HA 3.100 1.200 1.200 peak 1200 volume 0.18437E-02 ppm1 1.149 ppm2 3.524   
 ASSI  {1201} 11 HG1 11 HA 2.800 1.000 1.000 peak 1201 volume 0.16186E-02 ppm1 1.401 ppm2 3.523   
 ASSI  {21} 11 HE 11 HG1 3.800 1.800 1.800 peak 21 volume 0.66808E-03 ppm1 7.317 ppm2 1.407   
 ASSI  {2280} 11 HD1 11 HG1 2.700 0.900 0.900 peak 2280 volume 0.27464E-02 ppm1 3.241 ppm2 1.408   
 ASSI  {2282} 11 HD1 11 HG2 2.900 1.000 1.000 peak 2282 volume 0.26691E-02 ppm1 3.240 ppm2 1.147   
 ASSI  {2283} 11 HD2 11 HG2 2.800 1.000 1.000 peak 2283 volume 0.20919E-02 ppm1 3.184 ppm2 1.149   
 ASSI  {2292} 11 HD1 11 HB2 2.800 0.900 0.900 peak 2292 volume 0.21201E-02 ppm1 3.244 ppm2 2.063  
   OR  {2292} 11 HD1 11 HB1   
 ASSI  {2293} 11 HD2 11 HB2 3.100 1.200 1.200 peak 2293 volume 0.22673E-02 ppm1 3.184 ppm2 2.058  
   OR  {2293} 11 HD2 11 HB1   
 ASSI  {2336} 11 HD1 11 HE 2.700 0.900 0.900 peak 2336 volume 0.28027E-02 ppm1 3.240 ppm2 7.317   
 ASSI  {2337} 11 HD2 11 HE 2.700 0.900 0.900 peak 2337 volume 0.28442E-02 ppm1 3.183 ppm2 7.317   
 ASSI  {24} 11 HE 11 HB1 3.500 1.500 1.500 peak 24 volume 0.74998E-03 ppm1 7.318 ppm2 2.054  
   OR  {24} 11 HE 11 HB2   
 ASSI  {3019} 11 HA 11 HB2 2.300 0.700 0.700 peak 3019 volume 0.62015E-02 ppm1 3.525 ppm2 2.041  
   OR  {3019} 11 HA 11 HB1   
 ASSI  {3031} 11 HA 11 HN 2.700 0.900 0.900 peak 3031 volume 0.30957E-02 ppm1 3.525 ppm2 8.843   
 ASSI  {618} 11 HN 11 HB1 2.300 0.600 0.600 peak 618 volume 0.71280E-02 ppm1 8.843 ppm2 2.052  
   OR  {618} 11 HN 11 HB2   
 ASSI  {1267} 12 HG2 12 HG1 1.800 0.400 0.400 peak 1267 volume 0.10380E-01 ppm1 1.706 ppm2 1.930   
 ASSI  {1278} 12 HG2 12 HA 3.200 1.300 1.300 peak 1278 volume 0.16064E-02 ppm1 1.706 ppm2 4.039   
 ASSI  {1302} 12 HG2 12 HN 4.500 2.500 1.500 peak 1302 volume 0.57850E-03 ppm1 1.703 ppm2 7.991   
 ASSI  {1452} 12 HB2 12 HG2 2.500 0.800 0.800 peak 1452 volume 0.43033E-02 ppm1 2.043 ppm2 1.715  
   OR  {1452} 12 HB1 12 HG2   
 ASSI  {2296} 12 HD2 12 HG1 2.500 0.800 0.800 peak 2296 volume 0.40060E-02 ppm1 3.332 ppm2 1.944   
 ASSI  {2297} 12 HD2 12 HG2 2.700 0.900 0.900 peak 2297 volume 0.32453E-02 ppm1 3.322 ppm2 1.719   
 ASSI  {2299} 12 HD1 12 HG2 2.600 0.800 0.800 peak 2299 volume 0.30176E-02 ppm1 3.384 ppm2 1.704   
 ASSI  {2300} 12 HD1 12 HB1 2.900 1.100 1.100 peak 2300 volume 0.25551E-02 ppm1 3.386 ppm2 2.036  
   OR  {2300} 12 HD1 12 HB2   
 ASSI  {2310} 12 HD2 12 HA 4.200 2.200 1.800 peak 2310 volume 0.44615E-03 ppm1 3.322 ppm2 4.043   
 ASSI  {2344} 12 HD1 12 HE 3.600 1.600 1.600 peak 2344 volume 0.54983E-03 ppm1 3.380 ppm2 7.526   
 ASSI  {2957} 12 HA 12 HB1 2.300 0.600 0.600 peak 2957 volume 0.90721E-02 ppm1 4.041 ppm2 2.040  
   OR  {2957} 12 HA 12 HB2   
 ASSI  {2958} 12 HA 12 HG1 2.700 0.900 0.900 peak 2958 volume 0.24015E-02 ppm1 4.041 ppm2 1.933   
 ASSI  {2963} 12 HA 12 HD1 4.400 2.400 1.600 peak 2963 volume 0.55918E-03 ppm1 4.040 ppm2 3.358   
 ASSI  {2972} 12 HA 12 HN 2.600 0.800 0.800 peak 2972 volume 0.37282E-02 ppm1 4.041 ppm2 7.990   
 ASSI  {356} 12 HN 12 HG1 3.300 1.400 1.400 peak 356 volume 0.28777E-02 ppm1 7.989 ppm2 1.936   
 ASSI  {41} 12 HE 12 HB1 4.200 2.200 1.800 peak 41 volume 0.44466E-03 ppm1 7.524 ppm2 2.029  
   OR  {41} 12 HE 12 HB2   
 ASSI  {42} 12 HE 12 HG1 4.000 2.000 2.000 peak 42 volume 0.27461E-03 ppm1 7.527 ppm2 1.936   
 ASSI  {43} 12 HE 12 HG2 4.200 2.200 1.800 peak 43 volume 0.26054E-03 ppm1 7.525 ppm2 1.709   
 ASSI  {53} 12 HE 12 HD2 3.300 1.400 1.400 peak 53 volume 0.97217E-03 ppm1 7.524 ppm2 3.326   
 ASSI  {2596} 13 HA 13 HN 2.800 1.000 1.000 peak 2596 volume 0.28890E-02 ppm1 4.412 ppm2 7.726   
 ASSI  {2627} 13 HA 13 HB% 2.200 0.600 0.600 peak 2627 volume 0.11052E-01 ppm1 4.412 ppm2 1.682   
 ASSI  {267} 13 HB% 13 HN 2.300 0.600 0.600 peak 267 volume 0.82770E-02 ppm1 1.680 ppm2 7.724   
 ASSI  {1025} 14 HD2% 14 HG 2.200 0.600 0.600 peak 1025 volume 0.96210E-02 ppm1 0.917 ppm2 1.897   
 ASSI  {1028} 14 HD2% 14 HB1 2.700 0.900 0.900 peak 1028 volume 0.43193E-02 ppm1 0.917 ppm2 2.006   
 ASSI  {1099} 14 HD2% 14 HN 3.200 1.300 1.300 peak 1099 volume 0.14634E-02 ppm1 0.917 ppm2 8.422   
 ASSI  {1183} 14 HG 14 HB2 3.100 1.200 1.200 peak 1183 volume 0.12066E-02 ppm1 1.897 ppm2 1.425   
 ASSI  {2090} 14 HB1 14 HB2 1.700 0.400 0.500 peak 2090 volume 0.12152E-01 ppm1 2.007 ppm2 1.431   
 ASSI  {2157} 14 HB2 14 HN 2.600 0.800 0.800 peak 2157 volume 0.19576E-02 ppm1 1.429 ppm2 8.422   
 ASSI  {2754} 14 HA 14 HN 2.700 0.900 0.900 peak 2754 volume 0.27408E-02 ppm1 4.418 ppm2 8.425   
 ASSI  {2780} 14 HA 14 HB1 2.600 0.900 0.900 peak 2780 volume 0.25405E-02 ppm1 4.417 ppm2 2.002   
 ASSI  {2781} 14 HA 14 HG 3.000 1.100 1.100 peak 2781 volume 0.19676E-02 ppm1 4.417 ppm2 1.895   
 ASSI  {2787} 14 HA 14 HB2 2.900 1.100 1.100 peak 2787 volume 0.27752E-02 ppm1 4.417 ppm2 1.432   
 ASSI  {2789} 14 HA 14 HD2% 3.500 1.600 1.600 peak 2789 volume 0.11168E-02 ppm1 4.418 ppm2 0.906   
 ASSI  {2790} 14 HA 14 HD1% 2.300 0.700 0.700 peak 2790 volume 0.77572E-02 ppm1 4.417 ppm2 0.774   
 ASSI  {575} 14 HN 14 HB1 3.200 1.300 1.300 peak 575 volume 0.50010E-02 ppm1 8.421 ppm2 2.005   
 ASSI  {576} 14 HN 14 HG 2.900 1.000 1.000 peak 576 volume 0.38173E-02 ppm1 8.421 ppm2 1.896   
 ASSI  {584} 14 HN 14 HD1% 3.200 1.300 1.300 peak 584 volume 0.13885E-02 ppm1 8.422 ppm2 0.785   
 ASSI  {685} 14 HD1% 14 HD2% 2.500 0.800 0.800 peak 685 volume 0.61840E-02 ppm1 0.774 ppm2 0.895   
 ASSI  {705} 14 HD1% 14 HB2 2.800 1.000 1.000 peak 705 volume 0.36056E-02 ppm1 0.774 ppm2 1.432   
 ASSI  {716} 14 HD1% 14 HB1 3.000 1.100 1.100 peak 716 volume 0.23014E-02 ppm1 0.774 ppm2 2.002   
 ASSI  {717} 14 HD1% 14 HG 2.500 0.800 0.800 peak 717 volume 0.38749E-02 ppm1 0.775 ppm2 1.894   
 ASSI  {1542} 15 HB 15 HN 2.400 0.700 0.700 peak 1542 volume 0.53820E-02 ppm1 2.285 ppm2 8.505   
 ASSI  {3262} 15 HA 15 HN 2.600 0.800 0.800 peak 3262 volume 0.38330E-02 ppm1 3.930 ppm2 8.505   
 ASSI  {3269} 15 HA 15 HB 2.800 0.900 0.900 peak 3269 volume 0.37099E-02 ppm1 3.930 ppm2 2.284   
 ASSI  {371} 15 HG1% 15 HN 3.700 1.700 1.700 peak 371 volume 0.28553E-02 ppm1 1.052 ppm2 8.500   
 ASSI  {389} 15 HG1% 15 HA 2.500 0.800 0.800 peak 389 volume 0.57932E-02 ppm1 1.052 ppm2 3.929   
 ASSI  {404} 15 HG2% 15 HB 2.200 0.600 0.600 peak 404 volume 0.96585E-02 ppm1 1.130 ppm2 2.283   
 ASSI  {405} 15 HG2% 15 HA 2.400 0.700 0.700 peak 405 volume 0.70915E-02 ppm1 1.130 ppm2 3.930   
 ASSI  {571} 15 HG1% 15 HB 2.300 0.600 0.600 peak 571 volume 0.80015E-02 ppm1 1.052 ppm2 2.286   
 ASSI  {645} 15 HG2% 15 HN 2.200 0.600 0.600 peak 645 volume 0.75217E-02 ppm1 1.131 ppm2 8.504   
 ASSI  {1409} 16 HB1 16 HN 3.400 1.500 1.500 peak 1409 volume 0.29827E-02 ppm1 2.273 ppm2 8.244   
 ASSI  {1410} 16 HB2 16 HN 2.600 0.800 0.800 peak 1410 volume 0.25505E-02 ppm1 2.158 ppm2 8.242   
 ASSI  {1739} 16 HG2 16 HG1 1.600 0.300 0.600 peak 1739 volume 0.19752E-01 ppm1 2.408 ppm2 2.629   
 ASSI  {1756} 16 HG1 16 HB2 2.600 0.800 0.800 peak 1756 volume 0.28450E-02 ppm1 2.625 ppm2 2.165   
 ASSI  {1757} 16 HG2 16 HB2 2.700 0.900 0.900 peak 1757 volume 0.31418E-02 ppm1 2.399 ppm2 2.166   
 ASSI  {2889} 16 HA 16 HG2 2.600 0.900 0.900 peak 2889 volume 0.42532E-02 ppm1 4.215 ppm2 2.405   
 ASSI  {2890} 16 HA 16 HB1 2.400 0.700 0.700 peak 2890 volume 0.53329E-02 ppm1 4.217 ppm2 2.274   
 ASSI  {2891} 16 HA 16 HB2 2.700 0.900 0.900 peak 2891 volume 0.56185E-02 ppm1 4.215 ppm2 2.157   
 ASSI  {2894} 16 HA 16 HG1 3.500 1.500 1.500 peak 2894 volume 0.22348E-02 ppm1 4.214 ppm2 2.630   
 ASSI  {661} 16 HN 16 HA 2.700 0.900 0.900 peak 661 volume 0.38829E-02 ppm1 8.240 ppm2 4.214   
 ASSI  {670} 16 HN 16 HG1 3.100 1.200 1.200 peak 670 volume 0.33029E-02 ppm1 8.241 ppm2 2.629   
 ASSI  {673} 16 HN 16 HG2 2.900 1.000 1.000 peak 673 volume 0.15778E-02 ppm1 8.240 ppm2 2.399   
 ASSI  {253} 17 HN 17 HA 2.800 1.000 1.000 peak 253 volume 0.28294E-02 ppm1 7.809 ppm2 4.581   
 ASSI  {256} 17 HN 17 HB1 2.800 1.000 1.000 peak 256 volume 0.26250E-02 ppm1 7.809 ppm2 4.160   
 ASSI  {257} 17 HN 17 HB2 3.000 1.200 1.200 peak 257 volume 0.19242E-02 ppm1 7.810 ppm2 4.066   
 ASSI  {2964} 17 HA 17 HB1 2.700 0.900 0.900 peak 2964 volume 0.38770E-02 ppm1 4.581 ppm2 4.154   
 ASSI  {2965} 17 HA 17 HB2 2.500 0.800 0.800 peak 2965 volume 0.56852E-02 ppm1 4.582 ppm2 4.064   
 ASSI  {538} 18 HB% 18 HA 2.300 0.600 0.600 peak 538 volume 0.10213E-01 ppm1 1.553 ppm2 4.359   
 ASSI  {929} 18 HN 18 HB% 2.400 0.700 0.700 peak 929 volume 0.76920E-02 ppm1 7.811 ppm2 1.554   
 ASSI  {941} 18 HN 18 HA 2.900 1.100 1.100 peak 941 volume 0.26300E-02 ppm1 7.812 ppm2 4.357   
 ASSI  {2394} 19 HA1 19 HN 2.400 0.700 0.700 peak 2394 volume 0.76945E-02 ppm1 4.069 ppm2 8.245  
   OR  {2394} 19 HA2 19 HN   
 ASSI  {1416} 20 HB1 20 HN 3.200 1.300 1.300 peak 1416 volume 0.18256E-02 ppm1 2.244 ppm2 8.502   
 ASSI  {1442} 20 HB2 20 HB1 1.600 0.300 0.600 peak 1442 volume 0.22865E-01 ppm1 2.078 ppm2 2.238   
 ASSI  {1683} 20 HG2 20 HN 3.500 1.600 1.600 peak 1683 volume 0.13171E-02 ppm1 2.409 ppm2 8.504  
   OR  {1683} 20 HG1 20 HN   
 ASSI  {1699} 20 HG1 20 HB1 2.300 0.700 0.700 peak 1699 volume 0.98196E-02 ppm1 2.406 ppm2 2.241  
   OR  {1699} 20 HG2 20 HB1   
 ASSI  {1700} 20 HG2 20 HB2 2.600 0.800 0.800 peak 1700 volume 0.50589E-02 ppm1 2.411 ppm2 2.085  
   OR  {1700} 20 HG1 20 HB2   
 ASSI  {2687} 20 HA 20 HB1 2.800 1.000 1.000 peak 2687 volume 0.31981E-02 ppm1 4.482 ppm2 2.244   
 ASSI  {2688} 20 HA 20 HB2 2.900 1.000 1.000 peak 2688 volume 0.26149E-02 ppm1 4.480 ppm2 2.084   
 ASSI  {2699} 20 HA 20 HG1 3.100 1.200 1.200 peak 2699 volume 0.23339E-02 ppm1 4.483 ppm2 2.408  
   OR  {2699} 20 HA 20 HG2   
 ASSI  {746} 20 HN 20 HB2 2.800 0.900 0.900 peak 746 volume 0.38160E-02 ppm1 8.503 ppm2 2.078   
 ASSI  {754} 20 HN 20 HA 2.900 1.000 1.000 peak 754 volume 0.27438E-02 ppm1 8.503 ppm2 4.481   
 ASSI  {3361} 21 HB 21 HN 3.300 1.300 1.300 peak 3361 volume 0.14327E-02 ppm1 4.388 ppm2 8.248   
 ASSI  {3364} 21 HB 21 HA 2.400 0.700 0.700 peak 3364 volume 0.72229E-02 ppm1 4.388 ppm2 4.518   
 ASSI  {378} 21 HG2% 21 HN 3.200 1.300 1.300 peak 378 volume 0.21873E-02 ppm1 1.256 ppm2 8.256   
 ASSI  {604} 21 HG2% 21 HA 2.700 0.900 0.900 peak 604 volume 0.46184E-02 ppm1 1.257 ppm2 4.524   
 ASSI  {605} 21 HG2% 21 HB 2.300 0.700 0.700 peak 605 volume 0.86497E-02 ppm1 1.257 ppm2 4.388   
 ASSI  {2572} 22 HA 22 HB2 2.400 0.700 0.700 peak 2572 volume 0.79811E-02 ppm1 4.739 ppm2 2.841  
   OR  {2572} 22 HA 22 HB1   
 ASSI  {895} 22 HN 22 HB2 2.800 1.000 1.000 peak 895 volume 0.42785E-02 ppm1 8.497 ppm2 2.840  
   OR  {895} 22 HN 22 HB1   
 ASSI  {898} 22 HN 22 HA 3.200 1.300 1.300 peak 898 volume 0.14939E-02 ppm1 8.498 ppm2 4.744   
 ASSI  {2392} 23 HA2 23 HN 2.300 0.700 0.700 peak 2392 volume 0.11746E-01 ppm1 4.086 ppm2 8.502  
   OR  {2392} 23 HA1 23 HN   
 ASSI  {3109} 24 HA 24 HG2% 2.600 0.800 0.800 peak 3109 volume 0.54818E-02 ppm1 4.346 ppm2 1.298   
 ASSI  {3124} 24 HA 24 HB 2.400 0.700 0.700 peak 3124 volume 0.67266E-02 ppm1 4.345 ppm2 4.232   
 ASSI  {372} 24 HN 24 HG2% 3.100 1.200 1.200 peak 372 volume 0.25922E-02 ppm1 8.155 ppm2 1.297   
 ASSI  {373} 24 HN 24 HA 2.800 1.000 1.000 peak 373 volume 0.29721E-02 ppm1 8.153 ppm2 4.342   
 ASSI  {374} 24 HN 24 HB 2.900 1.000 1.000 peak 374 volume 0.36565E-02 ppm1 8.154 ppm2 4.246   
 ASSI  {606} 24 HG2% 24 HB 2.400 0.700 0.700 peak 606 volume 0.66516E-02 ppm1 1.297 ppm2 4.242   
 ASSI  {1970} 25 HB1 25 HN 3.300 1.300 1.300 peak 1970 volume 0.24256E-02 ppm1 2.897 ppm2 8.620   
 ASSI  {1971} 25 HB2 25 HN 2.900 1.100 1.100 peak 1971 volume 0.25781E-02 ppm1 2.767 ppm2 8.621   
 ASSI  {1980} 25 HB1 25 HA 2.900 1.000 1.000 peak 1980 volume 0.22982E-02 ppm1 2.894 ppm2 4.728   
 ASSI  {2566} 25 HA 25 HN 3.000 1.100 1.100 peak 2566 volume 0.18109E-02 ppm1 4.726 ppm2 8.616   
 ASSI  {2569} 25 HA 25 HB2 2.700 0.900 0.900 peak 2569 volume 0.47779E-02 ppm1 4.728 ppm2 2.770   
 ASSI  {1017} 26 HN 26 HD2% 4.300 2.300 1.700 peak 1017 volume 0.82186E-03 ppm1 8.469 ppm2 0.811   
 ASSI  {1019} 26 HN 26 HG 3.400 1.500 1.500 peak 1019 volume 0.27946E-02 ppm1 8.468 ppm2 1.586   
 ASSI  {1020} 26 HN 26 HB1 2.900 1.000 1.000 peak 1020 volume 0.35195E-02 ppm1 8.468 ppm2 1.454   
 ASSI  {1963} 26 HB2 26 HN 3.100 1.200 1.200 peak 1963 volume 0.12300E-02 ppm1 1.229 ppm2 8.471   
 ASSI  {1999} 26 HB1 26 HD2% 2.700 0.900 0.900 peak 1999 volume 0.34548E-02 ppm1 1.452 ppm2 0.813   
 ASSI  {2000} 26 HB1 26 HD1% 3.700 1.700 1.700 peak 2000 volume 0.16778E-02 ppm1 1.453 ppm2 0.710   
 ASSI  {2003} 26 HB2 26 HG 3.300 1.300 1.300 peak 2003 volume 0.16563E-02 ppm1 1.229 ppm2 1.580   
 ASSI  {2004} 26 HB1 26 HG 2.700 0.900 0.900 peak 2004 volume 0.20788E-02 ppm1 1.451 ppm2 1.580   
 ASSI  {2550} 26 HA 26 HG 3.300 1.300 1.300 peak 2550 volume 0.11794E-02 ppm1 4.379 ppm2 1.580   
 ASSI  {2551} 26 HA 26 HB1 2.900 1.000 1.000 peak 2551 volume 0.25285E-02 ppm1 4.374 ppm2 1.446   
 ASSI  {2552} 26 HA 26 HB2 2.500 0.800 0.800 peak 2552 volume 0.46198E-02 ppm1 4.376 ppm2 1.228   
 ASSI  {2555} 26 HA 26 HD2% 4.300 2.300 1.700 peak 2555 volume 0.96298E-03 ppm1 4.377 ppm2 0.815   
 ASSI  {686} 26 HD1% 26 HB2 2.600 0.900 0.900 peak 686 volume 0.36047E-02 ppm1 0.710 ppm2 1.225   
 ASSI  {690} 26 HD1% 26 HD2% 2.700 0.900 0.900 peak 690 volume 0.39082E-02 ppm1 0.710 ppm2 0.819   
 ASSI  {701} 26 HD1% 26 HG 2.400 0.700 0.700 peak 701 volume 0.56988E-02 ppm1 0.711 ppm2 1.588   
 ASSI  {754} 26 HD1% 26 HA 2.300 0.600 0.600 peak 754 volume 0.76721E-02 ppm1 0.711 ppm2 4.376   
 ASSI  {804} 26 HD1% 26 HN 3.900 1.900 1.900 peak 804 volume 0.11458E-02 ppm1 0.710 ppm2 8.472   
 ASSI  {960} 26 HN 26 HA 2.700 0.900 0.900 peak 960 volume 0.37375E-02 ppm1 8.467 ppm2 4.376   
 ASSI  {997} 26 HD2% 26 HG 2.100 0.600 0.600 peak 997 volume 0.11616E-01 ppm1 0.812 ppm2 1.588   
 ASSI  {999} 26 HD2% 26 HB2 2.700 0.900 0.900 peak 999 volume 0.31565E-02 ppm1 0.812 ppm2 1.236  
 ASSI  {2966} 27 HA 27 HB1 2.000 0.500 0.500 peak 2966 volume 0.14892E-01 ppm1 4.306 ppm2 4.026   
 ASSI  {2977} 27 HA 27 HN 2.700 0.900 0.900 peak 2977 volume 0.28951E-02 ppm1 4.306 ppm2 8.210   
 ASSI  {3178} 27 HB2 27 HA 2.300 0.700 0.700 peak 3178 volume 0.79553E-02 ppm1 3.992 ppm2 4.305   
 ASSI  {3201} 27 HB1 27 HN 3.100 1.200 1.200 peak 3201 volume 0.21336E-02 ppm1 4.038 ppm2 8.210   
 ASSI  {323} 27 HN 27 HB2 3.000 1.100 1.100 peak 323 volume 0.29111E-02 ppm1 8.208 ppm2 4.004   
 ASSI  {183} 28 HN 28 HA2 2.400 0.700 0.700 peak 183 volume 0.44852E-02 ppm1 8.582 ppm2 3.893   
 ASSI  {185} 28 HN 28 HA1 2.900 1.000 1.000 peak 185 volume 0.44298E-02 ppm1 8.581 ppm2 4.253   
 ASSI  {1874} 29 HB1 29 HA 2.700 0.900 0.900 peak 1874 volume 0.29310E-02 ppm1 2.905 ppm2 4.860   
 ASSI  {1875} 29 HB2 29 HA 2.700 0.900 0.900 peak 1875 volume 0.30660E-02 ppm1 2.682 ppm2 4.860   
 ASSI  {928} 29 HN 29 HB2 2.800 1.000 1.000 peak 928 volume 0.34751E-02 ppm1 8.680 ppm2 2.683   
 ASSI  {953} 29 HN 29 HB1 3.000 1.100 1.100 peak 953 volume 0.25767E-02 ppm1 8.679 ppm2 2.906   
 ASSI  {958} 29 HN 29 HA 2.800 1.000 1.000 peak 958 volume 0.22011E-02 ppm1 8.679 ppm2 4.859   
 ASSI  {1891} 30 HB2 30 HA 2.600 0.800 0.800 peak 1891 volume 0.28440E-02 ppm1 3.018 ppm2 4.773   
 ASSI  {1900} 30 HB1 30 HA 2.700 0.900 0.900 peak 1900 volume 0.29735E-02 ppm1 3.302 ppm2 4.770   
 ASSI  {1938} 30 HB2 30 HD% 2.400 0.700 0.700 peak 1938 volume 0.36356E-02 ppm1 3.016 ppm2 7.324   
 ASSI  {1947} 30 HB1 30 HD% 2.500 0.800 0.800 peak 1947 volume 0.42067E-02 ppm1 3.302 ppm2 7.323   
 ASSI  {3498} 30 HE% 30 HD% 1.900 0.500 0.500 peak 3498 volume 0.14778E-01 ppm1 7.222 ppm2 7.334  
   OR  {3498} 30 HE% 30 HD%  
   OR  {3498} 30 HE% 30 HZ  
   OR  {3498} 30 HE% 30 HZ   
 ASSI  {3560} 30 HD% 30 HB1 2.500 0.800 0.800 peak 3560 volume 0.44486E-02 ppm1 7.322 ppm2 3.302  
   OR  {3560} 30 HD% 30 HB1   
 ASSI  {3561} 30 HD% 30 HB2 2.400 0.700 0.700 peak 3561 volume 0.31706E-02 ppm1 7.322 ppm2 3.016  
   OR  {3561} 30 HD% 30 HB2   
 ASSI  {3581} 30 HD% 30 HN 2.400 0.700 0.700 peak 3581 volume 0.26037E-02 ppm1 7.322 ppm2 8.067  
   OR  {3581} 30 HD% 30 HN   
 ASSI  {3583} 30 HD% 30 HA 4.800 2.900 1.200 peak 3583 volume 0.37896E-03 ppm1 7.324 ppm2 4.771  
   OR  {3583} 30 HD% 30 HA   
 ASSI  {3612} 30 HZ 30 HE% 2.500 0.800 0.800 peak 3612 volume 0.35100E-02 ppm1 7.360 ppm2 7.230   
 ASSI  {900} 30 HN 30 HD% 2.200 0.600 0.600 peak 900 volume 0.44407E-02 ppm1 8.066 ppm2 7.323   
 ASSI  {906} 30 HN 30 HA 3.000 1.100 1.100 peak 906 volume 0.13574E-02 ppm1 8.066 ppm2 4.771   
 ASSI  {923} 30 HN 30 HB2 3.600 1.600 1.600 peak 923 volume 0.18826E-02 ppm1 8.067 ppm2 3.019   
 ASSI  {1154} 31 HG 31 HB1 2.900 1.000 1.000 peak 1154 volume 0.32262E-02 ppm1 1.212 ppm2 1.648   
 ASSI  {1169} 31 HG 31 HB2 2.400 0.700 0.700 peak 1169 volume 0.36358E-02 ppm1 1.212 ppm2 1.032   
 ASSI  {2096} 31 HB1 31 HD2% 2.600 0.800 0.800 peak 2096 volume 0.34181E-02 ppm1 1.646 ppm2 0.791   
 ASSI  {2108} 31 HB1 31 HB2 1.800 0.400 0.400 peak 2108 volume 0.74794E-02 ppm1 1.651 ppm2 1.026   
 ASSI  {2128} 31 HB1 31 HA 2.700 0.900 0.900 peak 2128 volume 0.10601E-02 ppm1 1.655 ppm2 3.297   
 ASSI  {2183} 31 HB2 31 HN 2.700 0.900 0.900 peak 2183 volume 0.20382E-02 ppm1 1.030 ppm2 7.538   
 ASSI  {2188} 31 HB2 31 HD2% 3.500 1.500 1.500 peak 2188 volume 0.22590E-02 ppm1 1.028 ppm2 0.795   
 ASSI  {2798} 31 HA 31 HN 2.600 0.900 0.900 peak 2798 volume 0.20559E-02 ppm1 3.308 ppm2 7.538   
 ASSI  {2817} 31 HA 31 HG 3.200 1.300 1.300 peak 2817 volume 0.16767E-02 ppm1 3.307 ppm2 1.212   
 ASSI  {2818} 31 HA 31 HB2 2.800 1.000 1.000 peak 2818 volume 0.26646E-02 ppm1 3.308 ppm2 1.030   
 ASSI  {2820} 31 HA 31 HD2% 2.900 1.000 1.000 peak 2820 volume 0.10954E-02 ppm1 3.308 ppm2 0.792   
 ASSI  {3611} 31 HD2% 31 HG 2.600 0.900 0.900 peak 3611 volume 0.20276E-02 ppm1 0.790 ppm2 1.211   
 ASSI  {411} 31 HD1% 31 HN 4.300 2.300 1.700 peak 411 volume 0.13571E-02 ppm1 0.459 ppm2 7.537   
 ASSI  {431} 31 HD1% 31 HA 3.100 1.200 1.200 peak 431 volume 0.74069E-02 ppm1 0.460 ppm2 3.309   
 ASSI  {560} 31 HN 31 HB1 3.000 1.100 1.100 peak 560 volume 0.54516E-02 ppm1 7.537 ppm2 1.649   
 ASSI  {562} 31 HN 31 HD2% 3.100 1.200 1.200 peak 562 volume 0.18478E-02 ppm1 7.537 ppm2 0.794   
 ASSI  {563} 31 HN 31 HG 2.200 0.600 0.600 peak 563 volume 0.49796E-02 ppm1 7.537 ppm2 1.210   
 ASSI  {843} 31 HD1% 31 HB1 2.600 0.900 0.900 peak 843 volume 0.31832E-02 ppm1 0.460 ppm2 1.653   
 ASSI  {854} 31 HD1% 31 HG 2.300 0.700 0.700 peak 854 volume 0.59801E-02 ppm1 0.460 ppm2 1.200   
 ASSI  {856} 31 HD1% 31 HB2 2.700 0.900 0.900 peak 856 volume 0.35256E-02 ppm1 0.459 ppm2 1.037   
 ASSI  {858} 31 HD1% 31 HD2% 2.100 0.600 0.600 peak 858 volume 0.11973E-01 ppm1 0.459 ppm2 0.797   
 ASSI  {192} 32 HN 32 HB1 3.000 1.100 1.100 peak 192 volume 0.20283E-02 ppm1 8.083 ppm2 3.040   
 ASSI  {194} 32 HN 32 HB2 3.100 1.200 1.200 peak 194 volume 0.22249E-02 ppm1 8.084 ppm2 2.370   
 ASSI  {2057} 32 HB1 32 HA 2.700 0.900 0.900 peak 2057 volume 0.41414E-02 ppm1 3.042 ppm2 5.057   
 ASSI  {2518} 32 HA 32 HB2 2.900 1.000 1.000 peak 2518 volume 0.26600E-02 ppm1 5.058 ppm2 2.370   
 ASSI  {2525} 32 HA 32 HN 3.000 1.100 1.100 peak 2525 volume 0.19272E-02 ppm1 5.058 ppm2 8.088   
 ASSI  {1009} 33 HG 33 HD2% 2.500 0.800 0.800 peak 1009 volume 0.51791E-02 ppm1 1.792 ppm2 1.084   
 ASSI  {1160} 33 HG 33 HB2 2.900 1.100 1.100 peak 1160 volume 0.15565E-02 ppm1 1.798 ppm2 1.421   
 ASSI  {2112} 33 HB1 33 HB2 1.700 0.300 0.500 peak 2112 volume 0.12008E-01 ppm1 1.787 ppm2 1.412   
 ASSI  {2114} 33 HB2 33 HB1 1.700 0.400 0.500 peak 2114 volume 0.11249E-01 ppm1 1.412 ppm2 1.787  
   OR  {2114} 33 HB2 33 HG   
 ASSI  {2135} 33 HB1 33 HA 2.700 0.900 0.900 peak 2135 volume 0.18209E-02 ppm1 1.786 ppm2 4.312   
 ASSI  {2147} 33 HB1 33 HN 3.400 1.500 1.500 peak 2147 volume 0.25806E-02 ppm1 1.786 ppm2 7.225   
 ASSI  {2559} 33 HA 33 HB2 2.700 0.900 0.900 peak 2559 volume 0.44083E-02 ppm1 4.313 ppm2 1.413   
 ASSI  {2561} 33 HA 33 HB1 2.400 0.700 0.700 peak 2561 volume 0.44777E-02 ppm1 4.314 ppm2 1.787  
   OR  {2561} 33 HA 33 HG   
 ASSI  {2563} 33 HA 33 HN 2.800 1.000 1.000 peak 2563 volume 0.23458E-02 ppm1 4.314 ppm2 7.222   
 ASSI  {409} 33 HD1% 33 HN 3.300 1.400 1.400 peak 409 volume 0.16165E-02 ppm1 0.972 ppm2 7.222   
 ASSI  {630} 33 HD1% 33 HB2 2.800 0.900 0.900 peak 630 volume 0.29337E-02 ppm1 0.966 ppm2 1.418   
 ASSI  {631} 33 HD1% 33 HG 2.300 0.700 0.700 peak 631 volume 0.84103E-02 ppm1 0.969 ppm2 1.789  
   OR  {631} 33 HD1% 33 HB1   
 ASSI  {637} 33 HD1% 33 HA 2.400 0.700 0.700 peak 637 volume 0.92638E-02 ppm1 0.970 ppm2 4.314   
 ASSI  {842} 33 HN 33 HB2 2.500 0.800 0.800 peak 842 volume 0.25061E-02 ppm1 7.226 ppm2 1.414   
 ASSI  {843} 33 HN 33 HG 2.600 0.800 0.800 peak 843 volume 0.92585E-02 ppm1 7.226 ppm2 1.789  
   OR  {843} 33 HN 33 HB1   
 ASSI  {974} 33 HD2% 33 HN 3.900 1.900 1.900 peak 974 volume 0.69558E-03 ppm1 1.081 ppm2 7.224   
 ASSI  {977} 33 HD2% 33 HA 3.800 1.900 1.900 peak 977 volume 0.50657E-03 ppm1 1.085 ppm2 4.327   
 ASSI  {988} 33 HD2% 33 HG 2.400 0.700 0.700 peak 988 volume 0.60555E-02 ppm1 1.080 ppm2 1.790  
   OR  {988} 33 HD2% 33 HB1   
 ASSI  {990} 33 HD2% 33 HB2 3.000 1.100 1.100 peak 990 volume 0.25281E-02 ppm1 1.083 ppm2 1.424   
 ASSI  {1287} 34 HG1 34 HA 3.600 1.600 1.600 peak 1287 volume 0.39511E-03 ppm1 1.947 ppm2 4.747   
 ASSI  {1309} 34 HG2 34 HE 3.600 1.600 1.600 peak 1309 volume 0.65645E-03 ppm1 1.630 ppm2 8.057   
 ASSI  {1314} 34 HG1 34 HD1 2.900 1.000 1.000 peak 1314 volume 0.17392E-02 ppm1 1.952 ppm2 3.465   
 ASSI  {1315} 34 HG1 34 HB1 2.700 0.900 0.900 peak 1315 volume 0.32504E-02 ppm1 1.956 ppm2 2.173   
 ASSI  {1316} 34 HG2 34 HG1 1.800 0.400 0.400 peak 1316 volume 0.71378E-02 ppm1 1.626 ppm2 1.950   
 ASSI  {1317} 34 HG2 34 HB1 2.600 0.900 0.900 peak 1317 volume 0.20754E-02 ppm1 1.625 ppm2 2.172   
 ASSI  {1387} 34 HB1 34 HD1 4.100 2.100 1.900 peak 1387 volume 0.57066E-03 ppm1 2.174 ppm2 3.465   
 ASSI  {1388} 34 HB2 34 HD1 3.600 1.600 1.600 peak 1388 volume 0.56239E-03 ppm1 1.877 ppm2 3.466   
 ASSI  {1390} 34 HB2 34 HD2 3.600 1.600 1.600 peak 1390 volume 0.67621E-03 ppm1 1.880 ppm2 3.357   
 ASSI  {1392} 34 HB2 34 HB1 1.900 0.400 0.400 peak 1392 volume 0.54696E-02 ppm1 1.878 ppm2 2.174   
 ASSI  {2288} 34 HD1 34 HG2 2.600 0.900 0.900 peak 2288 volume 0.29684E-02 ppm1 3.463 ppm2 1.632   
 ASSI  {2298} 34 HD2 34 HG2 2.800 1.000 1.000 peak 2298 volume 0.22736E-02 ppm1 3.359 ppm2 1.635   
 ASSI  {2301} 34 HD1 34 HA 4.500 2.500 1.500 peak 2301 volume 0.30982E-03 ppm1 3.464 ppm2 4.744   
 ASSI  {2347} 34 HD1 34 HE 2.900 1.100 1.100 peak 2347 volume 0.19581E-02 ppm1 3.462 ppm2 8.055   
 ASSI  {2348} 34 HD2 34 HE 3.000 1.100 1.100 peak 2348 volume 0.16325E-02 ppm1 3.360 ppm2 8.054   
 ASSI  {2349} 34 HD1 34 HN 3.700 1.700 1.700 peak 2349 volume 0.41734E-03 ppm1 3.465 ppm2 8.488   
 ASSI  {2350} 34 HD2 34 HN 4.300 2.300 1.700 peak 2350 volume 0.35015E-03 ppm1 3.364 ppm2 8.492   
 ASSI  {2648} 34 HA 34 HG2 3.100 1.200 1.200 peak 2648 volume 0.20270E-02 ppm1 4.747 ppm2 1.633   
 ASSI  {2649} 34 HA 34 HB2 3.200 1.300 1.300 peak 2649 volume 0.14491E-02 ppm1 4.744 ppm2 1.898   
 ASSI  {2650} 34 HA 34 HB1 2.600 0.800 0.800 peak 2650 volume 0.20630E-02 ppm1 4.747 ppm2 2.175   
 ASSI  {379} 34 HN 34 HG1 2.700 0.900 0.900 peak 379 volume 0.22440E-02 ppm1 8.487 ppm2 1.951   
 ASSI  {380} 34 HN 34 HB2 2.500 0.800 0.800 peak 380 volume 0.28164E-02 ppm1 8.487 ppm2 1.872   
 ASSI  {382} 34 HN 34 HG2 3.500 1.600 1.600 peak 382 volume 0.14312E-02 ppm1 8.485 ppm2 1.626   
 ASSI  {392} 34 HN 34 HA 3.200 1.300 1.300 peak 392 volume 0.81538E-03 ppm1 8.488 ppm2 4.753   
 ASSI  {1807} 35 HB2 35 HD% 2.500 0.800 0.800 peak 1807 volume 0.30716E-02 ppm1 3.107 ppm2 7.131   
 ASSI  {1811} 35 HB2 35 HA 3.000 1.100 1.100 peak 1811 volume 0.20307E-02 ppm1 3.107 ppm2 4.393   
 ASSI  {1825} 35 HB1 35 HA 2.300 0.700 0.700 peak 1825 volume 0.29381E-02 ppm1 3.623 ppm2 4.391   
 ASSI  {1828} 35 HB1 35 HD% 2.500 0.800 0.800 peak 1828 volume 0.36006E-02 ppm1 3.623 ppm2 7.131   
 ASSI  {3084} 35 HA 35 HN 2.600 0.900 0.900 peak 3084 volume 0.19478E-02 ppm1 4.395 ppm2 8.454   
 ASSI  {3090} 35 HA 35 HD% 2.300 0.700 0.700 peak 3090 volume 0.55952E-02 ppm1 4.395 ppm2 7.132   
 ASSI  {3531} 35 HD% 35 HB2 2.700 0.900 0.900 peak 3531 volume 0.20333E-02 ppm1 7.132 ppm2 3.106  
   OR  {3531} 35 HD% 35 HB2   
 ASSI  {3534} 35 HE% 35 HB2 4.700 2.700 1.300 peak 3534 volume 0.45810E-03 ppm1 6.941 ppm2 3.101  
   OR  {3534} 35 HE% 35 HB2   
 ASSI  {3537} 35 HD% 35 HB1 2.700 0.900 0.900 peak 3537 volume 0.21885E-02 ppm1 7.132 ppm2 3.624  
   OR  {3537} 35 HD% 35 HB1   
 ASSI  {3538} 35 HE% 35 HB1 4.700 2.800 1.300 peak 3538 volume 0.37585E-03 ppm1 6.938 ppm2 3.620  
   OR  {3538} 35 HE% 35 HB1   
 ASSI  {3539} 35 HD% 35 HA 2.600 0.900 0.900 peak 3539 volume 0.29101E-02 ppm1 7.132 ppm2 4.397  
   OR  {3539} 35 HD% 35 HA   
 ASSI  {3545} 35 HD% 35 HE% 2.100 0.500 0.500 peak 3545 volume 0.92050E-02 ppm1 7.131 ppm2 6.930   
 ASSI  {3553} 35 HD% 35 HN 3.000 1.200 1.200 peak 3553 volume 0.96166E-03 ppm1 7.133 ppm2 8.454  
   OR  {3553} 35 HD% 35 HN   
 ASSI  {3555} 35 HE% 35 HN 4.800 2.900 1.200 peak 3555 volume 0.23014E-03 ppm1 6.941 ppm2 8.456  
   OR  {3555} 35 HE% 35 HN   
 ASSI  {954} 35 HN 35 HB2 2.600 0.800 0.800 peak 954 volume 0.27447E-02 ppm1 8.453 ppm2 3.108   
 ASSI  {961} 35 HN 35 HB1 3.500 1.500 1.500 peak 961 volume 0.16877E-02 ppm1 8.453 ppm2 3.624   
 ASSI  {964} 35 HN 35 HD% 2.900 1.000 1.000 peak 964 volume 0.14690E-02 ppm1 8.453 ppm2 7.133   
 ASSI  {1385} 36 HB2 36 HA 2.900 1.000 1.000 peak 1385 volume 0.28366E-02 ppm1 2.139 ppm2 4.356   
 ASSI  {1412} 36 HB2 36 HN 2.600 0.800 0.800 peak 1412 volume 0.28377E-02 ppm1 2.140 ppm2 9.543   
 ASSI  {1689} 36 HG2 36 HA 2.900 1.000 1.000 peak 1689 volume 0.30321E-02 ppm1 2.489 ppm2 4.357  
   OR  {1689} 36 HG1 36 HA   
 ASSI  {2915} 36 HA 36 HB1 2.600 0.800 0.800 peak 2915 volume 0.41832E-02 ppm1 4.355 ppm2 2.267   
 ASSI  {458} 36 HN 36 HA 2.600 0.800 0.800 peak 458 volume 0.40477E-02 ppm1 9.540 ppm2 4.359   
 ASSI  {462} 36 HN 36 HG1 3.000 1.100 1.100 peak 462 volume 0.31582E-02 ppm1 9.540 ppm2 2.491  
   OR  {462} 36 HN 36 HG2   
 ASSI  {463} 36 HN 36 HB1 3.000 1.100 1.100 peak 463 volume 0.37565E-02 ppm1 9.540 ppm2 2.266   
 ASSI  {2027} 37 HB1 37 HA 3.200 1.200 1.200 peak 2027 volume 0.25580E-02 ppm1 3.100 ppm2 4.813   
 ASSI  {2028} 37 HB2 37 HA 2.800 1.000 1.000 peak 2028 volume 0.23733E-02 ppm1 3.006 ppm2 4.813   
 ASSI  {536} 37 HN 37 HB1 2.600 0.800 0.800 peak 536 volume 0.45940E-02 ppm1 7.534 ppm2 3.100   
 ASSI  {537} 37 HN 37 HB2 2.700 0.900 0.900 peak 537 volume 0.32702E-02 ppm1 7.534 ppm2 3.001   
 ASSI  {539} 37 HN 37 HA 2.900 1.000 1.000 peak 539 volume 0.27707E-02 ppm1 7.534 ppm2 4.814   
 ASSI  {102} 38 HD1% 38 HG12 2.200 0.600 0.600 peak 102 volume 0.61164E-02 ppm1 0.893 ppm2 1.569   
 ASSI  {1187} 38 HG12 38 HG11 1.600 0.300 0.600 peak 1187 volume 0.76190E-02 ppm1 1.571 ppm2 1.830   
 ASSI  {119} 38 HD1% 38 HG11 2.100 0.600 0.600 peak 119 volume 0.77495E-02 ppm1 0.892 ppm2 1.825   
 ASSI  {146} 38 HD1% 38 HB 2.400 0.700 0.700 peak 146 volume 0.61689E-02 ppm1 0.893 ppm2 2.473   
 ASSI  {1837} 38 HB 38 HA 2.400 0.700 0.700 peak 1837 volume 0.53611E-02 ppm1 2.474 ppm2 4.678   
 ASSI  {1847} 38 HB 38 HG11 2.400 0.700 0.700 peak 1847 volume 0.29613E-02 ppm1 2.476 ppm2 1.830   
 ASSI  {1848} 38 HB 38 HG12 3.200 1.300 1.300 peak 1848 volume 0.14232E-02 ppm1 2.475 ppm2 1.569   
 ASSI  {220} 38 HN 38 HA 2.800 1.000 1.000 peak 220 volume 0.22031E-02 ppm1 7.732 ppm2 4.677   
 ASSI  {231} 38 HN 38 HB 3.600 1.600 1.600 peak 231 volume 0.14072E-02 ppm1 7.731 ppm2 2.474   
 ASSI  {234} 38 HN 38 HD1% 4.500 2.600 1.500 peak 234 volume 0.10364E-02 ppm1 7.732 ppm2 0.894   
 ASSI  {235} 38 HN 38 HG2% 2.700 0.900 0.900 peak 235 volume 0.26032E-02 ppm1 7.732 ppm2 1.080   
 ASSI  {236} 38 HN 38 HG12 2.000 0.500 0.500 peak 236 volume 0.40058E-02 ppm1 7.731 ppm2 1.571   
 ASSI  {237} 38 HN 38 HG11 3.200 1.200 1.200 peak 237 volume 0.25980E-02 ppm1 7.731 ppm2 1.832   
 ASSI  {280} 38 HG2% 38 HA 2.400 0.700 0.700 peak 280 volume 0.61621E-02 ppm1 1.080 ppm2 4.678   
 ASSI  {300} 38 HG2% 38 HB 2.400 0.700 0.700 peak 300 volume 0.46774E-02 ppm1 1.079 ppm2 2.474   
 ASSI  {304} 38 HG2% 38 HG12 2.600 0.900 0.900 peak 304 volume 0.24786E-02 ppm1 1.078 ppm2 1.583   
 ASSI  {3041} 38 HA 38 HG11 3.600 1.600 1.600 peak 3041 volume 0.12812E-02 ppm1 4.677 ppm2 1.828   
 ASSI  {3042} 38 HA 38 HG12 3.800 1.800 1.800 peak 3042 volume 0.93475E-03 ppm1 4.681 ppm2 1.575   
 ASSI  {49} 38 HD1% 38 HA 4.800 2.900 1.200 peak 49 volume 0.82083E-03 ppm1 0.889 ppm2 4.676   
 ASSI  {91} 38 HD1% 38 HG2% 2.100 0.500 0.500 peak 91 volume 0.11464E-01 ppm1 0.892 ppm2 1.084   
 ASSI  {82} 39 HN 39 HA1 3.100 1.200 1.200 peak 82 volume 0.31493E-02 ppm1 7.736 ppm2 4.271   
 ASSI  {83} 39 HN 39 HA2 2.400 0.700 0.700 peak 83 volume 0.52711E-02 ppm1 7.736 ppm2 3.898   
 ASSI  {1894} 40 HB2 40 HA 2.800 1.000 1.000 peak 1894 volume 0.22294E-02 ppm1 2.822 ppm2 4.582   
 ASSI  {1937} 40 HB2 40 HE% 4.800 2.800 1.200 peak 1937 volume 0.39984E-03 ppm1 2.825 ppm2 6.736   
 ASSI  {1943} 40 HB1 40 HD% 2.500 0.800 0.800 peak 1943 volume 0.30091E-02 ppm1 3.008 ppm2 6.978   
 ASSI  {1944} 40 HB2 40 HD% 2.500 0.800 0.800 peak 1944 volume 0.32858E-02 ppm1 2.820 ppm2 6.979   
 ASSI  {2850} 40 HA 40 HB1 2.600 0.800 0.800 peak 2850 volume 0.31828E-02 ppm1 4.586 ppm2 3.011   
 ASSI  {2856} 40 HA 40 HD% 2.800 1.000 1.000 peak 2856 volume 0.28122E-02 ppm1 4.587 ppm2 6.978   
 ASSI  {3409} 40 HE% 40 HB1 4.300 2.300 1.700 peak 3409 volume 0.72726E-03 ppm1 6.737 ppm2 3.012   
 ASSI  {3558} 40 HD% 40 HB1 2.500 0.800 0.800 peak 3558 volume 0.28203E-02 ppm1 6.976 ppm2 3.009  
   OR  {3558} 40 HD% 40 HB1   
 ASSI  {3559} 40 HD% 40 HB2 2.600 0.800 0.800 peak 3559 volume 0.29873E-02 ppm1 6.977 ppm2 2.818  
   OR  {3559} 40 HD% 40 HB2   
 ASSI  {3576} 40 HD% 40 HA 3.000 1.100 1.100 peak 3576 volume 0.17665E-02 ppm1 6.978 ppm2 4.584  
   OR  {3576} 40 HD% 40 HA   
 ASSI  {3578} 40 HD% 40 HE% 1.800 0.400 0.400 peak 3578 volume 0.22743E-01 ppm1 6.977 ppm2 6.733  
   OR  {3578} 40 HD% 40 HE%   
 ASSI  {861} 40 HN 40 HB2 2.400 0.700 0.700 peak 861 volume 0.31097E-02 ppm1 8.082 ppm2 2.821   
 ASSI  {862} 40 HN 40 HB1 2.900 1.100 1.100 peak 862 volume 0.46083E-02 ppm1 8.082 ppm2 3.005   
 ASSI  {866} 40 HN 40 HA 2.800 1.000 1.000 peak 866 volume 0.25991E-02 ppm1 8.083 ppm2 4.588   
 ASSI  {869} 40 HN 40 HE% 5.000 3.100 1.000 peak 869 volume 0.38940E-03 ppm1 8.083 ppm2 6.736   
 ASSI  {870} 40 HN 40 HD% 3.300 1.300 1.300 peak 870 volume 0.21863E-02 ppm1 8.083 ppm2 6.980   
 ASSI  {1040} 41 HN 41 HB1 3.800 1.800 1.800 peak 1040 volume 0.17339E-02 ppm1 8.041 ppm2 3.211   
 ASSI  {1043} 41 HN 41 HA 3.100 1.200 1.200 peak 1043 volume 0.15703E-02 ppm1 8.041 ppm2 4.732   
 ASSI  {2501} 41 HA 41 HB2 2.800 1.000 1.000 peak 2501 volume 0.49266E-02 ppm1 4.728 ppm2 2.838   
 ASSI  {2512} 41 HA 41 HB1 2.400 0.700 0.700 peak 2512 volume 0.52618E-02 ppm1 4.727 ppm2 3.212   
 ASSI  {281} 42 HN 42 HB1 2.700 0.900 0.900 peak 281 volume 0.32856E-02 ppm1 8.560 ppm2 4.038  
   OR  {281} 42 HN 42 HB2   
 ASSI  {3055} 42 HA 42 HN 2.700 0.900 0.900 peak 3055 volume 0.28292E-02 ppm1 4.198 ppm2 8.562   
 ASSI  {3072} 42 HA 42 HB1 2.200 0.600 0.600 peak 3072 volume 0.89835E-02 ppm1 4.199 ppm2 4.032  
   OR  {3072} 42 HA 42 HB2   
 ASSI  {3080} 42 HB1 42 HN 2.700 0.900 0.900 peak 3080 volume 0.20553E-02 ppm1 4.059 ppm2 8.562   
 ASSI  {3081} 42 HB2 42 HN 3.500 1.500 1.500 peak 3081 volume 0.23897E-02 ppm1 4.009 ppm2 8.561   
 ASSI  {3126} 42 HB1 42 HA 2.300 0.700 0.700 peak 3126 volume 0.59066E-02 ppm1 4.058 ppm2 4.196   
 ASSI  {3127} 42 HB2 42 HA 2.300 0.700 0.700 peak 3127 volume 0.58667E-02 ppm1 4.008 ppm2 4.192   
 ASSI  {1206} 43 HG 43 HA 3.300 1.300 1.300 peak 1206 volume 0.16407E-02 ppm1 1.765 ppm2 4.267   
 ASSI  {1213} 43 HG 43 HN 3.800 1.800 1.800 peak 1213 volume 0.24529E-02 ppm1 1.765 ppm2 7.806   
 ASSI  {1967} 43 HB2 43 HN 2.500 0.800 0.800 peak 1967 volume 0.36097E-02 ppm1 1.773 ppm2 7.806   
 ASSI  {1988} 43 HB1 43 HA 2.900 1.100 1.100 peak 1988 volume 0.32267E-02 ppm1 1.908 ppm2 4.267   
 ASSI  {1989} 43 HB2 43 HA 2.600 0.800 0.800 peak 1989 volume 0.30560E-02 ppm1 1.773 ppm2 4.267   
 ASSI  {2847} 43 HA 43 HB2 2.400 0.700 0.700 peak 2847 volume 0.56429E-02 ppm1 4.267 ppm2 1.775  
   OR  {2847} 43 HA 43 HG   
 ASSI  {2864} 43 HA 43 HN 2.600 0.900 0.900 peak 2864 volume 0.39100E-02 ppm1 4.266 ppm2 7.807   
 ASSI  {871} 43 HD1% 43 HG 2.600 0.800 0.800 peak 871 volume 0.45065E-02 ppm1 1.005 ppm2 1.768  
   OR  {871} 43 HD1% 43 HB2   
 ASSI  {872} 43 HD2% 43 HG 2.900 1.100 1.100 peak 872 volume 0.21776E-02 ppm1 1.066 ppm2 1.779  
   OR  {872} 43 HD2% 43 HB2   
 ASSI  {874} 43 HD2% 43 HB1 3.200 1.300 1.300 peak 874 volume 0.16372E-02 ppm1 1.066 ppm2 1.897   
 ASSI  {875} 43 HD2% 43 HA 3.000 1.100 1.100 peak 875 volume 0.18709E-02 ppm1 1.066 ppm2 4.271   
 ASSI  {912} 43 HN 43 HB1 2.500 0.800 0.800 peak 912 volume 0.61266E-02 ppm1 7.806 ppm2 1.907   
 ASSI  {913} 43 HN 43 HB2 2.300 0.700 0.700 peak 913 volume 0.67047E-02 ppm1 7.806 ppm2 1.769  
   OR  {913} 43 HN 43 HG   
 ASSI  {915} 43 HN 43 HD2% 4.600 2.600 1.400 peak 915 volume 0.70448E-03 ppm1 7.806 ppm2 1.072   
 ASSI  {916} 43 HN 43 HD1% 4.700 2.800 1.300 peak 916 volume 0.68964E-03 ppm1 7.807 ppm2 1.001   
 ASSI  {287} 44 HB% 44 HA 2.200 0.600 0.600 peak 287 volume 0.10358E-01 ppm1 1.528 ppm2 4.337   
 ASSI  {935} 44 HN 44 HB% 2.200 0.600 0.600 peak 935 volume 0.98342E-02 ppm1 8.065 ppm2 1.530   
 ASSI  {944} 44 HN 44 HA 2.700 0.900 0.900 peak 944 volume 0.35719E-02 ppm1 8.065 ppm2 4.337   
 ASSI  {1136} 45 HG 45 HA 3.300 1.400 1.400 peak 1136 volume 0.11970E-02 ppm1 1.368 ppm2 3.913   
 ASSI  {1153} 45 HG 45 HB2 2.600 0.900 0.900 peak 1153 volume 0.49100E-02 ppm1 1.367 ppm2 1.560   
 ASSI  {2049} 45 HB2 45 HN 2.500 0.800 0.800 peak 2049 volume 0.30272E-02 ppm1 1.557 ppm2 8.427   
 ASSI  {2830} 45 HA 45 HD2% 3.600 1.600 1.600 peak 2830 volume 0.29954E-02 ppm1 3.909 ppm2 0.392   
 ASSI  {2833} 45 HA 45 HB1 2.700 0.900 0.900 peak 2833 volume 0.45277E-02 ppm1 3.907 ppm2 1.663   
 ASSI  {692} 45 HD1% 45 HB1 3.300 1.300 1.300 peak 692 volume 0.31733E-02 ppm1 0.212 ppm2 1.661   
 ASSI  {693} 45 HD1% 45 HB2 2.600 0.800 0.800 peak 693 volume 0.32304E-02 ppm1 0.212 ppm2 1.553   
 ASSI  {694} 45 HD1% 45 HG 2.400 0.700 0.700 peak 694 volume 0.47846E-02 ppm1 0.212 ppm2 1.364   
 ASSI  {746} 45 HD1% 45 HA 2.500 0.800 0.800 peak 746 volume 0.39525E-02 ppm1 0.212 ppm2 3.913   
 ASSI  {803} 45 HN 45 HB1 2.600 0.800 0.800 peak 803 volume 0.30860E-02 ppm1 8.425 ppm2 1.653   
 ASSI  {813} 45 HD2% 45 HN 4.700 2.800 1.300 peak 813 volume 0.74137E-03 ppm1 0.392 ppm2 8.416   
 ASSI  {838} 45 HN 45 HD1% 4.600 2.600 1.400 peak 838 volume 0.78093E-03 ppm1 8.426 ppm2 0.211   
 ASSI  {845} 45 HD2% 45 HB1 2.700 0.900 0.900 peak 845 volume 0.25982E-02 ppm1 0.393 ppm2 1.662   
 ASSI  {846} 45 HD2% 45 HB2 2.700 0.900 0.900 peak 846 volume 0.34046E-02 ppm1 0.393 ppm2 1.546   
 ASSI  {851} 45 HD2% 45 HG 2.400 0.700 0.700 peak 851 volume 0.49509E-02 ppm1 0.393 ppm2 1.369   
 ASSI  {859} 45 HD2% 45 HD1% 2.300 0.600 0.600 peak 859 volume 0.95315E-02 ppm1 0.393 ppm2 0.205   
 ASSI  {874} 45 HN 45 HG 3.900 1.900 1.900 peak 874 volume 0.17341E-02 ppm1 8.424 ppm2 1.367   
 ASSI  {877} 45 HN 45 HA 2.800 1.000 1.000 peak 877 volume 0.23029E-02 ppm1 8.425 ppm2 3.910   
 ASSI  {1532} 46 HB1 46 HG1 3.000 1.100 1.100 peak 1532 volume 0.38366E-02 ppm1 2.375 ppm2 2.878   
 ASSI  {1533} 46 HB2 46 HG1 2.400 0.700 0.700 peak 1533 volume 0.36559E-02 ppm1 2.262 ppm2 2.878   
 ASSI  {1541} 46 HB1 46 HN 3.700 1.700 1.700 peak 1541 volume 0.20883E-02 ppm1 2.373 ppm2 8.346   
 ASSI  {1543} 46 HB2 46 HN 2.800 1.000 1.000 peak 1543 volume 0.18674E-02 ppm1 2.264 ppm2 8.348   
 ASSI  {1545} 46 HG1 46 HN 2.500 0.800 0.800 peak 1545 volume 0.21379E-02 ppm1 2.882 ppm2 8.346   
 ASSI  {1546} 46 HG2 46 HN 3.600 1.600 1.600 peak 1546 volume 0.20532E-02 ppm1 2.768 ppm2 8.347   
 ASSI  {1566} 46 HG2 46 HA 2.800 1.000 1.000 peak 1566 volume 0.22860E-02 ppm1 2.767 ppm2 4.262   
 ASSI  {1592} 46 HG2 46 HB1 2.400 0.700 0.700 peak 1592 volume 0.37253E-02 ppm1 2.767 ppm2 2.377   
 ASSI  {1594} 46 HG2 46 HB2 3.000 1.100 1.100 peak 1594 volume 0.37130E-02 ppm1 2.767 ppm2 2.268   
 ASSI  {2892} 46 HA 46 HB1 2.400 0.700 0.700 peak 2892 volume 0.48508E-02 ppm1 4.263 ppm2 2.374   
 ASSI  {2893} 46 HA 46 HG1 3.300 1.400 1.400 peak 2893 volume 0.18752E-02 ppm1 4.260 ppm2 2.877   
 ASSI  {1344} 47 HB1 47 HN 2.700 0.900 0.900 peak 1344 volume 0.27093E-02 ppm1 2.350 ppm2 8.419   
 ASSI  {1357} 47 HB1 47 HA 2.900 1.100 1.100 peak 1357 volume 0.37924E-02 ppm1 2.353 ppm2 4.265   
 ASSI  {1360} 47 HB2 47 HA 2.600 0.800 0.800 peak 1360 volume 0.32558E-02 ppm1 2.228 ppm2 4.260   
 ASSI  {1369} 47 HB2 47 HG1 2.700 0.900 0.900 peak 1369 volume 0.41368E-02 ppm1 2.228 ppm2 2.586   
 ASSI  {1370} 47 HB2 47 HG2 2.500 0.800 0.800 peak 1370 volume 0.56580E-02 ppm1 2.228 ppm2 2.465   
 ASSI  {1371} 47 HB2 47 HB1 1.600 0.300 0.600 peak 1371 volume 0.16719E-01 ppm1 2.228 ppm2 2.349   
 ASSI  {1688} 47 HG2 47 HN 4.300 2.300 1.700 peak 1688 volume 0.12715E-02 ppm1 2.471 ppm2 8.420   
 ASSI  {1691} 47 HG2 47 HA 3.500 1.600 1.600 peak 1691 volume 0.17521E-02 ppm1 2.471 ppm2 4.259   
 ASSI  {1695} 47 HG1 47 HB1 2.600 0.800 0.800 peak 1695 volume 0.55631E-02 ppm1 2.587 ppm2 2.350   
 ASSI  {2947} 47 HA 47 HG1 2.900 1.000 1.000 peak 2947 volume 0.23681E-02 ppm1 4.258 ppm2 2.586   
 ASSI  {798} 47 HN 47 HG1 3.900 1.900 1.900 peak 798 volume 0.19528E-02 ppm1 8.417 ppm2 2.587   
 ASSI  {801} 47 HN 47 HB2 2.500 0.800 0.800 peak 801 volume 0.40299E-02 ppm1 8.416 ppm2 2.239   
 ASSI  {3312} 48 HA 48 HG2% 2.500 0.800 0.800 peak 3312 volume 0.50263E-02 ppm1 3.961 ppm2 1.136   
 ASSI  {3323} 48 HA 48 HN 3.000 1.100 1.100 peak 3323 volume 0.17789E-02 ppm1 3.961 ppm2 8.331   
 ASSI  {3340} 48 HB 48 HG2% 2.400 0.700 0.700 peak 3340 volume 0.46570E-02 ppm1 4.435 ppm2 1.135   
 ASSI  {367} 48 HG2% 48 HN 4.000 2.000 2.000 peak 367 volume 0.12212E-02 ppm1 1.136 ppm2 8.332   
 ASSI  {545} 48 HN 48 HB 2.600 0.800 0.800 peak 545 volume 0.33477E-02 ppm1 8.332 ppm2 4.433   
 ASSI  {234} 49 HB% 49 HA 2.200 0.600 0.600 peak 234 volume 0.79203E-02 ppm1 1.541 ppm2 3.961   
 ASSI  {235} 49 HB% 49 HN 2.200 0.600 0.600 peak 235 volume 0.77558E-02 ppm1 1.540 ppm2 8.758   
 ASSI  {2676} 49 HA 49 HN 2.600 0.800 0.800 peak 2676 volume 0.32246E-02 ppm1 3.965 ppm2 8.758   
 ASSI  {242} 50 HB% 50 HN 2.200 0.600 0.600 peak 242 volume 0.12010E-01 ppm1 1.668 ppm2 8.185   
 ASSI  {2593} 50 HA 50 HN 2.600 0.800 0.800 peak 2593 volume 0.46017E-02 ppm1 4.281 ppm2 8.188   
 ASSI  {2633} 50 HA 50 HB% 2.200 0.600 0.600 peak 2633 volume 0.11533E-01 ppm1 4.282 ppm2 1.668   
 ASSI  {1264} 51 HG1 51 HB1 2.900 1.000 1.000 peak 1264 volume 0.41150E-02 ppm1 1.987 ppm2 2.202   
 ASSI  {1265} 51 HG2 51 HB1 2.700 0.900 0.900 peak 1265 volume 0.18136E-02 ppm1 1.752 ppm2 2.201   
 ASSI  {1266} 51 HG2 51 HG1 1.700 0.300 0.500 peak 1266 volume 0.11659E-01 ppm1 1.754 ppm2 1.999   
 ASSI  {1272} 51 HG1 51 HD1 3.000 1.100 1.100 peak 1272 volume 0.15407E-02 ppm1 1.982 ppm2 3.451   
 ASSI  {1277} 51 HG2 51 HD2 3.000 1.100 1.100 peak 1277 volume 0.14855E-02 ppm1 1.746 ppm2 3.317   
 ASSI  {1297} 51 HG1 51 HN 2.600 0.800 0.800 peak 1297 volume 0.15051E-02 ppm1 1.995 ppm2 8.153   
 ASSI  {1299} 51 HG1 51 HE 4.000 2.000 2.000 peak 1299 volume 0.47753E-03 ppm1 1.998 ppm2 7.605   
 ASSI  {1301} 51 HG2 51 HN 4.300 2.300 1.700 peak 1301 volume 0.72570E-03 ppm1 1.756 ppm2 8.154   
 ASSI  {2287} 51 HD1 51 HG2 2.800 1.000 1.000 peak 2287 volume 0.25716E-02 ppm1 3.450 ppm2 1.755   
 ASSI  {2291} 51 HD2 51 HB1 3.600 1.600 1.600 peak 2291 volume 0.14671E-02 ppm1 3.319 ppm2 2.200   
 ASSI  {2304} 51 HD1 51 HA 4.800 2.900 1.200 peak 2304 volume 0.51490E-03 ppm1 3.451 ppm2 4.261   
 ASSI  {2345} 51 HD1 51 HN 5.600 3.900 0.400 peak 2345 volume 0.21376E-03 ppm1 3.448 ppm2 8.159   
 ASSI  {2346} 51 HD2 51 HN 5.500 3.700 0.500 peak 2346 volume 0.24891E-03 ppm1 3.309 ppm2 8.159   
 ASSI  {2946} 51 HA 51 HD2 4.700 2.700 1.300 peak 2946 volume 0.77251E-03 ppm1 4.257 ppm2 3.311   
 ASSI  {2950} 51 HA 51 HG2 2.600 0.800 0.800 peak 2950 volume 0.29488E-02 ppm1 4.256 ppm2 1.762   
 ASSI  {2952} 51 HA 51 HB2 2.700 0.900 0.900 peak 2952 volume 0.56117E-02 ppm1 4.257 ppm2 2.033   
 ASSI  {39} 51 HE 51 HD1 3.300 1.300 1.300 peak 39 volume 0.90390E-03 ppm1 7.594 ppm2 3.449   
 ASSI  {40} 51 HE 51 HD2 3.200 1.300 1.300 peak 40 volume 0.11031E-02 ppm1 7.596 ppm2 3.317   
 ASSI  {50} 51 HE 51 HB1 3.900 1.900 1.900 peak 50 volume 0.33608E-03 ppm1 7.593 ppm2 2.199   
 ASSI  {51} 51 HE 51 HG1 3.900 1.900 1.900 peak 51 volume 0.67908E-03 ppm1 7.596 ppm2 2.015  
   OR  {51} 51 HE 51 HB2   
 ASSI  {52} 51 HE 51 HG2 3.600 1.600 1.600 peak 52 volume 0.44350E-03 ppm1 7.596 ppm2 1.752   
 ASSI  {676} 51 HN 51 HB1 3.300 1.300 1.300 peak 676 volume 0.41535E-02 ppm1 8.149 ppm2 2.208   
 ASSI  {677} 51 HN 51 HB2 2.500 0.800 0.800 peak 677 volume 0.36567E-02 ppm1 8.149 ppm2 2.041   
 ASSI  {1014} 52 HG 52 HD2% 2.500 0.800 0.800 peak 1014 volume 0.33938E-02 ppm1 2.062 ppm2 1.053   
 ASSI  {1015} 52 HG 52 HD1% 2.100 0.500 0.500 peak 1015 volume 0.98726E-02 ppm1 2.063 ppm2 0.876   
 ASSI  {1016} 52 HG 52 HB2 2.700 0.900 0.900 peak 1016 volume 0.18299E-02 ppm1 2.063 ppm2 1.461   
 ASSI  {1064} 52 HG 52 HA 3.200 1.200 1.200 peak 1064 volume 0.13666E-02 ppm1 2.062 ppm2 4.332   
 ASSI  {1068} 52 HD1% 52 HA 3.600 1.700 1.700 peak 1068 volume 0.17085E-02 ppm1 0.878 ppm2 4.333   
 ASSI  {1094} 52 HG 52 HN 2.600 0.900 0.900 peak 1094 volume 0.26673E-02 ppm1 2.063 ppm2 8.435   
 ASSI  {1101} 52 HD1% 52 HN 3.500 1.500 1.500 peak 1101 volume 0.23230E-02 ppm1 0.875 ppm2 8.435   
 ASSI  {2206} 52 HB1 52 HB2 1.600 0.300 0.600 peak 2206 volume 0.12875E-01 ppm1 2.229 ppm2 1.458   
 ASSI  {2208} 52 HB1 52 HG 3.100 1.200 1.200 peak 2208 volume 0.20278E-02 ppm1 2.226 ppm2 2.056   
 ASSI  {2217} 52 HB1 52 HA 2.600 0.800 0.800 peak 2217 volume 0.22463E-02 ppm1 2.229 ppm2 4.328   
 ASSI  {2238} 52 HB2 52 HN 2.600 0.900 0.900 peak 2238 volume 0.16646E-02 ppm1 1.459 ppm2 8.438   
 ASSI  {2246} 52 HB1 52 HN 3.400 1.400 1.400 peak 2246 volume 0.29004E-02 ppm1 2.228 ppm2 8.437   
 ASSI  {2834} 52 HA 52 HB2 2.700 0.900 0.900 peak 2834 volume 0.40425E-02 ppm1 4.329 ppm2 1.457   
 ASSI  {2868} 52 HA 52 HN 2.600 0.800 0.800 peak 2868 volume 0.28936E-02 ppm1 4.329 ppm2 8.438   
 ASSI  {730} 52 HN 52 HD2% 3.800 1.800 1.800 peak 730 volume 0.11440E-02 ppm1 8.436 ppm2 1.055   
 ASSI  {761} 52 HD2% 52 HA 2.100 0.500 0.500 peak 761 volume 0.95553E-02 ppm1 1.054 ppm2 4.331   
 ASSI  {1348} 53 HB1 53 HN 3.600 1.600 1.600 peak 1348 volume 0.22852E-02 ppm1 2.519 ppm2 8.992   
 ASSI  {1367} 53 HB1 53 HG1 2.700 0.900 0.900 peak 1367 volume 0.53709E-02 ppm1 2.518 ppm2 2.748   
 ASSI  {1368} 53 HB2 53 HG1 2.300 0.700 0.700 peak 1368 volume 0.44730E-02 ppm1 2.380 ppm2 2.748   
 ASSI  {1372} 53 HB1 53 HB2 1.800 0.400 0.400 peak 1372 volume 0.93144E-02 ppm1 2.518 ppm2 2.375   
 ASSI  {1653} 53 HG2 53 HB1 2.300 0.700 0.700 peak 1653 volume 0.42786E-02 ppm1 2.299 ppm2 2.518   
 ASSI  {1654} 53 HG2 53 HG1 1.700 0.300 0.500 peak 1654 volume 0.94468E-02 ppm1 2.301 ppm2 2.750   
 ASSI  {1677} 53 HG1 53 HN 2.400 0.700 0.700 peak 1677 volume 0.27593E-02 ppm1 2.750 ppm2 8.992   
 ASSI  {1678} 53 HG2 53 HN 3.600 1.600 1.600 peak 1678 volume 0.16260E-02 ppm1 2.301 ppm2 8.992   
 ASSI  {2985} 53 HA 53 HN 2.500 0.800 0.800 peak 2985 volume 0.33046E-02 ppm1 4.105 ppm2 8.992   
 ASSI  {2993} 53 HA 53 HB1 2.400 0.700 0.700 peak 2993 volume 0.34820E-02 ppm1 4.106 ppm2 2.518   
 ASSI  {2994} 53 HA 53 HG2 2.300 0.700 0.700 peak 2994 volume 0.38500E-02 ppm1 4.105 ppm2 2.312   
 ASSI  {2996} 53 HA 53 HG1 2.800 1.000 1.000 peak 2996 volume 0.30048E-02 ppm1 4.106 ppm2 2.751   
 ASSI  {622} 53 HN 53 HB2 2.400 0.700 0.700 peak 622 volume 0.35147E-02 ppm1 8.991 ppm2 2.377   
 ASSI  {3032} 54 HA 54 HN 2.600 0.900 0.900 peak 3032 volume 0.42809E-02 ppm1 4.395 ppm2 8.033   
 ASSI  {3144} 54 HB1 54 HA 2.100 0.600 0.600 peak 3144 volume 0.15648E-01 ppm1 4.121 ppm2 4.392  
   OR  {3144} 54 HB2 54 HA   
 ASSI  {3148} 54 HB1 54 HN 2.300 0.700 0.700 peak 3148 volume 0.74049E-02 ppm1 4.123 ppm2 8.037  
   OR  {3148} 54 HB2 54 HN   
 ASSI  {1121} 55 HG2 55 HN 4.400 2.400 1.600 peak 1121 volume 0.60648E-03 ppm1 1.006 ppm2 8.072   
 ASSI  {1157} 55 HG2 55 HG1 1.700 0.400 0.500 peak 1157 volume 0.13177E-01 ppm1 1.006 ppm2 1.376   
 ASSI  {1158} 55 HG2 55 HB2 3.100 1.200 1.200 peak 1158 volume 0.26269E-02 ppm1 1.007 ppm2 1.625   
 ASSI  {1492} 55 HB2 55 HN 2.600 0.900 0.900 peak 1492 volume 0.30157E-02 ppm1 1.633 ppm2 8.070   
 ASSI  {1495} 55 HB1 55 HG2 2.700 0.900 0.900 peak 1495 volume 0.19039E-02 ppm1 1.906 ppm2 1.011   
 ASSI  {1497} 55 HB1 55 HG1 2.900 1.000 1.000 peak 1497 volume 0.37744E-02 ppm1 1.908 ppm2 1.380   
 ASSI  {1498} 55 HB1 55 HB2 1.600 0.300 0.600 peak 1498 volume 0.13708E-01 ppm1 1.908 ppm2 1.631   
 ASSI  {1499} 55 HB2 55 HG1 2.400 0.700 0.700 peak 1499 volume 0.40653E-02 ppm1 1.636 ppm2 1.381   
 ASSI  {1501} 55 HB1 55 HD2 3.300 1.300 1.300 peak 1501 volume 0.12268E-02 ppm1 1.907 ppm2 3.039   
 ASSI  {2272} 55 HD1 55 HB1 3.000 1.100 1.100 peak 2272 volume 0.13359E-02 ppm1 3.108 ppm2 1.909   
 ASSI  {2274} 55 HD1 55 HB2 3.300 1.400 1.400 peak 2274 volume 0.13365E-02 ppm1 3.110 ppm2 1.632   
 ASSI  {2275} 55 HD2 55 HB2 3.100 1.200 1.200 peak 2275 volume 0.11315E-02 ppm1 3.037 ppm2 1.628   
 ASSI  {2276} 55 HD1 55 HG1 3.000 1.100 1.100 peak 2276 volume 0.23016E-02 ppm1 3.109 ppm2 1.378   
 ASSI  {2277} 55 HD2 55 HG1 2.700 0.900 0.900 peak 2277 volume 0.20731E-02 ppm1 3.034 ppm2 1.379   
 ASSI  {2278} 55 HD1 55 HG2 2.500 0.800 0.800 peak 2278 volume 0.30751E-02 ppm1 3.107 ppm2 1.010   
 ASSI  {2279} 55 HD2 55 HG2 2.900 1.100 1.100 peak 2279 volume 0.28125E-02 ppm1 3.035 ppm2 1.009   
 ASSI  {2319} 55 HD1 55 HA 4.500 2.600 1.500 peak 2319 volume 0.64453E-03 ppm1 3.110 ppm2 4.111   
 ASSI  {2333} 55 HD2 55 HE 4.200 2.200 1.800 peak 2333 volume 0.21474E-03 ppm1 3.036 ppm2 7.197   
 ASSI  {2334} 55 HD1 55 HN 5.400 3.700 0.600 peak 2334 volume 0.22312E-03 ppm1 3.114 ppm2 8.073   
 ASSI  {2335} 55 HD2 55 HN 5.800 4.200 0.200 peak 2335 volume 0.14416E-03 ppm1 3.032 ppm2 8.073   
 ASSI  {2879} 55 HA 55 HN 2.600 0.900 0.900 peak 2879 volume 0.38046E-02 ppm1 4.113 ppm2 8.073   
 ASSI  {2887} 55 HA 55 HD2 4.300 2.300 1.700 peak 2887 volume 0.86137E-03 ppm1 4.112 ppm2 3.045   
 ASSI  {2900} 55 HA 55 HB1 2.600 0.900 0.900 peak 2900 volume 0.59490E-02 ppm1 4.113 ppm2 1.909   
 ASSI  {2901} 55 HA 55 HB2 2.500 0.800 0.800 peak 2901 volume 0.42074E-02 ppm1 4.112 ppm2 1.630   
 ASSI  {2902} 55 HA 55 HG1 2.600 0.900 0.900 peak 2902 volume 0.35403E-02 ppm1 4.113 ppm2 1.379   
 ASSI  {2903} 55 HA 55 HG2 3.100 1.200 1.200 peak 2903 volume 0.20339E-02 ppm1 4.113 ppm2 1.005   
 ASSI  {31} 55 HE 55 HD1 3.700 1.700 1.700 peak 31 volume 0.45568E-03 ppm1 7.197 ppm2 3.110   
 ASSI  {35} 55 HE 55 HG1 3.700 1.700 1.700 peak 35 volume 0.47071E-03 ppm1 7.197 ppm2 1.378   
 ASSI  {36} 55 HE 55 HG2 4.200 2.200 1.800 peak 36 volume 0.21759E-03 ppm1 7.198 ppm2 0.995   
 ASSI  {762} 55 HN 55 HG1 3.800 1.800 1.800 peak 762 volume 0.13990E-02 ppm1 8.073 ppm2 1.380   
 ASSI  {764} 55 HN 55 HB1 2.400 0.700 0.700 peak 764 volume 0.48711E-02 ppm1 8.073 ppm2 1.908   
 ASSI  {1859} 56 HB1 56 HE% 4.800 2.900 1.200 peak 1859 volume 0.44521E-03 ppm1 3.459 ppm2 6.826   
 ASSI  {1860} 56 HB2 56 HE% 4.900 3.000 1.100 peak 1860 volume 0.37115E-03 ppm1 2.804 ppm2 6.824   
 ASSI  {1862} 56 HB1 56 HD% 2.300 0.700 0.700 peak 1862 volume 0.50283E-02 ppm1 3.463 ppm2 7.451   
 ASSI  {1863} 56 HB2 56 HD% 2.500 0.800 0.800 peak 1863 volume 0.45824E-02 ppm1 2.803 ppm2 7.453   
 ASSI  {1864} 56 HB1 56 HN 3.600 1.600 1.600 peak 1864 volume 0.23367E-02 ppm1 3.462 ppm2 8.176   
 ASSI  {1866} 56 HB2 56 HN 2.400 0.700 0.700 peak 1866 volume 0.28299E-02 ppm1 2.802 ppm2 8.176   
 ASSI  {248} 56 HN 56 HE% 5.100 3.200 0.900 peak 248 volume 0.38235E-03 ppm1 8.173 ppm2 6.829   
 ASSI  {249} 56 HN 56 HD% 2.400 0.700 0.700 peak 249 volume 0.33470E-02 ppm1 8.175 ppm2 7.451   
 ASSI  {2923} 56 HA 56 HB2 3.400 1.400 1.400 peak 2923 volume 0.15781E-02 ppm1 4.681 ppm2 2.800   
 ASSI  {2924} 56 HA 56 HB1 2.600 0.900 0.900 peak 2924 volume 0.31783E-02 ppm1 4.684 ppm2 3.464   
 ASSI  {2929} 56 HA 56 HD% 2.900 1.100 1.100 peak 2929 volume 0.31469E-02 ppm1 4.687 ppm2 7.464   
 ASSI  {2938} 56 HA 56 HN 3.000 1.100 1.100 peak 2938 volume 0.17805E-02 ppm1 4.686 ppm2 8.182   
 ASSI  {3407} 56 HE% 56 HB2 4.400 2.400 1.600 peak 3407 volume 0.72142E-03 ppm1 6.825 ppm2 2.799  
   OR  {3407} 56 HE% 56 HB2   
 ASSI  {3421} 56 HE% 56 HB1 4.600 2.600 1.400 peak 3421 volume 0.55645E-03 ppm1 6.826 ppm2 3.463  
   OR  {3421} 56 HE% 56 HB1   
 ASSI  {3424} 56 HE% 56 HA 3.100 1.200 1.200 peak 3424 volume 0.59451E-03 ppm1 6.826 ppm2 4.679  
   OR  {3424} 56 HE% 56 HA   
 ASSI  {3426} 56 HE% 56 HD% 1.900 0.400 0.400 peak 3426 volume 0.19270E-01 ppm1 6.824 ppm2 7.454  
   OR  {3426} 56 HE% 56 HD%   
 ASSI  {3427} 56 HE% 56 HN 5.200 3.400 0.800 peak 3427 volume 0.30898E-03 ppm1 6.826 ppm2 8.177  
   OR  {3427} 56 HE% 56 HN   
 ASSI  {3595} 56 HD% 56 HN 2.600 0.800 0.800 peak 3595 volume 0.21507E-02 ppm1 7.450 ppm2 8.177  
   OR  {3595} 56 HD% 56 HN   
 ASSI  {3597} 56 HD% 56 HA 2.900 1.100 1.100 peak 3597 volume 0.31620E-02 ppm1 7.450 ppm2 4.684  
   OR  {3597} 56 HD% 56 HA   
 ASSI  {3600} 56 HD% 56 HB1 2.400 0.700 0.700 peak 3600 volume 0.41069E-02 ppm1 7.450 ppm2 3.462  
   OR  {3600} 56 HD% 56 HB1   
 ASSI  {3601} 56 HD% 56 HB2 2.500 0.800 0.800 peak 3601 volume 0.44470E-02 ppm1 7.450 ppm2 2.802  
   OR  {3601} 56 HD% 56 HB2   
 ASSI  {2451} 57 HA1 57 HN 2.200 0.600 0.600 peak 2451 volume 0.11970E-01 ppm1 4.107 ppm2 8.001  
   OR  {2451} 57 HA2 57 HN   
 ASSI  {1647} 58 HB 58 HG2% 2.200 0.600 0.600 peak 1647 volume 0.10244E-01 ppm1 2.142 ppm2 0.963   
 ASSI  {1669} 58 HB 58 HN 3.300 1.300 1.300 peak 1669 volume 0.12332E-02 ppm1 2.142 ppm2 7.514   
 ASSI  {202} 58 HN 58 HG1% 2.400 0.700 0.700 peak 202 volume 0.56998E-02 ppm1 7.515 ppm2 0.940   
 ASSI  {210} 58 HN 58 HA 2.700 0.900 0.900 peak 210 volume 0.26814E-02 ppm1 7.516 ppm2 4.695   
 ASSI  {2922} 58 HA 58 HB 2.300 0.600 0.600 peak 2922 volume 0.69480E-02 ppm1 4.694 ppm2 2.142   
 ASSI  {321} 58 HG1% 58 HB 2.200 0.600 0.600 peak 321 volume 0.71076E-02 ppm1 0.933 ppm2 2.140   
 ASSI  {338} 58 HG1% 58 HA 3.500 1.500 1.500 peak 338 volume 0.14454E-02 ppm1 0.934 ppm2 4.686   
 ASSI  {576} 58 HG2% 58 HA 2.600 0.900 0.900 peak 576 volume 0.46827E-02 ppm1 0.982 ppm2 4.694   
 ASSI  {3179} 59 HB1 59 HA 2.700 0.900 0.900 peak 3179 volume 0.37884E-02 ppm1 3.809 ppm2 4.853   
 ASSI  {3180} 59 HB2 59 HA 2.700 0.900 0.900 peak 3180 volume 0.32175E-02 ppm1 3.763 ppm2 4.853   
 ASSI  {3198} 59 HB1 59 HN 2.900 1.000 1.000 peak 3198 volume 0.20485E-02 ppm1 3.811 ppm2 8.490   
 ASSI  {3199} 59 HB2 59 HN 2.900 1.100 1.100 peak 3199 volume 0.31142E-02 ppm1 3.764 ppm2 8.490   
 ASSI  {418} 59 HN 59 HA 3.100 1.200 1.200 peak 418 volume 0.15921E-02 ppm1 8.489 ppm2 4.855   
 ASSI  {1087} 60 HN 60 HG12 3.900 1.900 1.900 peak 1087 volume 0.10781E-02 ppm1 8.231 ppm2 1.126   
 ASSI  {1088} 60 HN 60 HG2% 4.200 2.200 1.800 peak 1088 volume 0.89018E-03 ppm1 8.231 ppm2 1.028   
 ASSI  {1090} 60 HN 60 HD1% 4.500 2.500 1.500 peak 1090 volume 0.72925E-03 ppm1 8.230 ppm2 0.854   
 ASSI  {1096} 60 HN 60 HA 2.900 1.000 1.000 peak 1096 volume 0.18843E-02 ppm1 8.230 ppm2 4.682   
 ASSI  {1119} 60 HG11 60 HN 3.000 1.100 1.100 peak 1119 volume 0.11484E-02 ppm1 1.488 ppm2 8.234   
 ASSI  {1132} 60 HG12 60 HA 2.700 0.900 0.900 peak 1132 volume 0.14914E-02 ppm1 1.124 ppm2 4.679   
 ASSI  {1155} 60 HG12 60 HG11 1.600 0.300 0.600 peak 1155 volume 0.13889E-01 ppm1 1.126 ppm2 1.488   
 ASSI  {1156} 60 HG12 60 HB 3.400 1.500 1.500 peak 1156 volume 0.12376E-02 ppm1 1.129 ppm2 1.793   
 ASSI  {183} 60 HG2% 60 HB 2.300 0.700 0.700 peak 183 volume 0.61266E-02 ppm1 1.032 ppm2 1.798   
 ASSI  {1889} 60 HB 60 HA 2.800 1.000 1.000 peak 1889 volume 0.23252E-02 ppm1 1.797 ppm2 4.677   
 ASSI  {1931} 60 HB 60 HD1% 2.700 0.900 0.900 peak 1931 volume 0.31072E-02 ppm1 1.797 ppm2 0.851   
 ASSI  {1933} 60 HB 60 HG11 2.400 0.700 0.700 peak 1933 volume 0.31575E-02 ppm1 1.799 ppm2 1.497   
 ASSI  {1959} 60 HB 60 HN 2.800 1.000 1.000 peak 1959 volume 0.24627E-02 ppm1 1.799 ppm2 8.232   
 ASSI  {2792} 60 HA 60 HG2% 2.400 0.700 0.700 peak 2792 volume 0.50254E-02 ppm1 4.679 ppm2 1.030   
 ASSI  {2793} 60 HA 60 HD1% 3.800 1.800 1.800 peak 2793 volume 0.18369E-02 ppm1 4.677 ppm2 0.852   
 ASSI  {2794} 60 HA 60 HG11 3.200 1.300 1.300 peak 2794 volume 0.12349E-02 ppm1 4.679 ppm2 1.492   
 ASSI  {81} 60 HD1% 60 HG12 2.000 0.500 0.500 peak 81 volume 0.12309E-01 ppm1 0.853 ppm2 1.120   
 ASSI  {82} 60 HD1% 60 HG2% 2.200 0.600 0.600 peak 82 volume 0.86711E-02 ppm1 0.853 ppm2 1.044   
 ASSI  {96} 60 HD1% 60 HG11 2.100 0.600 0.600 peak 96 volume 0.83281E-02 ppm1 0.852 ppm2 1.492   
 ASSI  {1263} 61 HG1 61 HB1 2.500 0.800 0.800 peak 1263 volume 0.35229E-02 ppm1 2.167 ppm2 2.560  
   OR  {1263} 61 HG2 61 HB1   
 ASSI  {1286} 61 HG1 61 HA 3.400 1.400 1.400 peak 1286 volume 0.13971E-02 ppm1 2.168 ppm2 4.543  
   OR  {1286} 61 HG2 61 HA   
 ASSI  {1575} 61 HB1 61 HD1 4.100 2.100 1.900 peak 1575 volume 0.10736E-02 ppm1 2.564 ppm2 4.022   
 ASSI  {1579} 61 HB1 61 HA 2.200 0.600 0.600 peak 1579 volume 0.61061E-02 ppm1 2.565 ppm2 4.543   
 ASSI  {1582} 61 HB2 61 HD2 3.000 1.100 1.100 peak 1582 volume 0.15668E-02 ppm1 2.065 ppm2 3.584   
 ASSI  {1586} 61 HB2 61 HD1 3.900 1.900 1.900 peak 1586 volume 0.11195E-02 ppm1 2.062 ppm2 4.022   
 ASSI  {1596} 61 HB2 61 HB1 1.600 0.300 0.600 peak 1596 volume 0.14626E-01 ppm1 2.066 ppm2 2.563   
 ASSI  {2475} 61 HD2 61 HB1 4.200 2.200 1.800 peak 2475 volume 0.92380E-03 ppm1 3.582 ppm2 2.563   
 ASSI  {2476} 61 HD1 61 HG1 2.300 0.700 0.700 peak 2476 volume 0.54799E-02 ppm1 4.022 ppm2 2.155  
   OR  {2476} 61 HD1 61 HG2   
 ASSI  {2477} 61 HD2 61 HG2 2.400 0.700 0.700 peak 2477 volume 0.51709E-02 ppm1 3.582 ppm2 2.166  
   OR  {2477} 61 HD2 61 HG1   
 ASSI  {2479} 61 HD1 61 HA 3.700 1.800 1.800 peak 2479 volume 0.59952E-03 ppm1 4.023 ppm2 4.552   
 ASSI  {3153} 61 HA 61 HD2 3.900 1.900 1.900 peak 3153 volume 0.74049E-03 ppm1 4.545 ppm2 3.583   
 ASSI  {3158} 61 HA 61 HB2 2.800 1.000 1.000 peak 3158 volume 0.39819E-02 ppm1 4.544 ppm2 2.082   
 ASSI  {1895} 62 HB1 62 HA 2.700 0.900 0.900 peak 1895 volume 0.31158E-02 ppm1 2.841 ppm2 4.442   
 ASSI  {1896} 62 HB2 62 HA 2.900 1.100 1.100 peak 1896 volume 0.29649E-02 ppm1 2.757 ppm2 4.444   
 ASSI  {1956} 62 HB1 62 HN 3.000 1.100 1.100 peak 1956 volume 0.25231E-02 ppm1 2.847 ppm2 8.858   
 ASSI  {1957} 62 HB2 62 HN 3.000 1.100 1.100 peak 1957 volume 0.19712E-02 ppm1 2.756 ppm2 8.857   
 ASSI  {984} 62 HN 62 HA 2.600 0.900 0.900 peak 984 volume 0.40195E-02 ppm1 8.856 ppm2 4.448   
 ASSI  {2583} 63 HA 63 HN 2.700 0.900 0.900 peak 2583 volume 0.36208E-02 ppm1 4.509 ppm2 8.691   
 ASSI  {2622} 63 HA 63 HB1 2.200 0.600 0.600 peak 2622 volume 0.13175E-01 ppm1 4.509 ppm2 2.781  
   OR  {2622} 63 HA 63 HB2   
 ASSI  {1559} 64 HB 64 HN 2.300 0.700 0.700 peak 1559 volume 0.56078E-02 ppm1 2.215 ppm2 7.393   
 ASSI  {3231} 64 HA 64 HB 2.600 0.800 0.800 peak 3231 volume 0.41295E-02 ppm1 3.790 ppm2 2.214   
 ASSI  {3237} 64 HA 64 HG2% 2.200 0.600 0.600 peak 3237 volume 0.90098E-02 ppm1 3.790 ppm2 1.046   
 ASSI  {572} 64 HG1% 64 HB 2.300 0.700 0.700 peak 572 volume 0.55027E-02 ppm1 0.992 ppm2 2.204   
 ASSI  {578} 64 HG1% 64 HN 3.600 1.700 1.700 peak 578 volume 0.22062E-02 ppm1 0.993 ppm2 7.393   
 ASSI  {599} 64 HN 64 HA 2.600 0.900 0.900 peak 599 volume 0.30112E-02 ppm1 7.392 ppm2 3.791   
 ASSI  {632} 64 HG2% 64 HB 2.200 0.600 0.600 peak 632 volume 0.85694E-02 ppm1 1.055 ppm2 2.204   
 ASSI  {642} 64 HG2% 64 HN 2.400 0.700 0.700 peak 642 volume 0.51193E-02 ppm1 1.055 ppm2 7.393   
 ASSI  {247} 65 HB% 65 HN 2.200 0.600 0.600 peak 247 volume 0.85869E-02 ppm1 1.394 ppm2 8.215   
 ASSI  {2599} 65 HA 65 HN 2.600 0.900 0.900 peak 2599 volume 0.38071E-02 ppm1 3.968 ppm2 8.215   
 ASSI  {286} 65 HB% 65 HA 2.200 0.600 0.600 peak 286 volume 0.99908E-02 ppm1 1.394 ppm2 3.969   
 ASSI  {2416} 66 HA1 66 HN 2.500 0.800 0.800 peak 2416 volume 0.38598E-02 ppm1 4.134 ppm2 7.994   
 ASSI  {71} 66 HN 66 HA2 2.700 0.900 0.900 peak 71 volume 0.59640E-02 ppm1 7.995 ppm2 3.916   
 ASSI  {1197} 67 HG2 67 HD2 2.600 0.900 0.900 peak 1197 volume 0.35845E-02 ppm1 1.787 ppm2 3.279  
   OR  {1197} 67 HG1 67 HD1  
   OR  {1197} 67 HG1 67 HD2  
   OR  {1197} 67 HG2 67 HD1   
 ASSI  {1207} 67 HG2 67 HA 2.800 0.900 0.900 peak 1207 volume 0.37147E-02 ppm1 1.789 ppm2 4.661  
   OR  {1207} 67 HG1 67 HA   
 ASSI  {1518} 67 HB1 67 HD1 3.200 1.300 1.300 peak 1518 volume 0.16019E-02 ppm1 2.087 ppm2 3.286  
   OR  {1518} 67 HB1 67 HD2   
 ASSI  {1520} 67 HB1 67 HB2 1.600 0.300 0.600 peak 1520 volume 0.16937E-01 ppm1 2.086 ppm2 1.900   
 ASSI  {1521} 67 HB1 67 HG2 2.200 0.600 0.600 peak 1521 volume 0.86955E-02 ppm1 2.086 ppm2 1.790  
   OR  {1521} 67 HB1 67 HG1   
 ASSI  {2289} 67 HD2 67 HB2 3.300 1.300 1.300 peak 2289 volume 0.11894E-02 ppm1 3.276 ppm2 1.901  
   OR  {2289} 67 HD1 67 HB2   
 ASSI  {2290} 67 HD2 67 HG2 2.600 0.800 0.800 peak 2290 volume 0.40848E-02 ppm1 3.293 ppm2 1.786  
   OR  {2290} 67 HD2 67 HG1   
 ASSI  {2358} 67 HD2 67 HA 4.700 2.700 1.300 peak 2358 volume 0.30196E-03 ppm1 3.292 ppm2 4.658   
 ASSI  {2359} 67 HD2 67 HE 3.400 1.400 1.400 peak 2359 volume 0.84667E-03 ppm1 3.292 ppm2 7.372   
 ASSI  {2655} 67 HA 67 HB1 2.700 0.900 0.900 peak 2655 volume 0.50516E-02 ppm1 4.660 ppm2 2.084   
 ASSI  {2656} 67 HA 67 HB2 2.600 0.800 0.800 peak 2656 volume 0.32443E-02 ppm1 4.658 ppm2 1.900   
 ASSI  {2669} 67 HA 67 HN 2.900 1.000 1.000 peak 2669 volume 0.24302E-02 ppm1 4.659 ppm2 7.481   
 ASSI  {38} 67 HE 67 HD2 3.400 1.500 1.500 peak 38 volume 0.79543E-03 ppm1 7.368 ppm2 3.279  
   OR  {38} 67 HE 67 HD1   
 ASSI  {432} 67 HN 67 HB1 2.900 1.000 1.000 peak 432 volume 0.16274E-02 ppm1 7.484 ppm2 2.083   
 ASSI  {433} 67 HN 67 HB2 2.700 0.900 0.900 peak 433 volume 0.30902E-02 ppm1 7.484 ppm2 1.899   
 ASSI  {434} 67 HN 67 HG1 3.400 1.400 1.400 peak 434 volume 0.29382E-02 ppm1 7.483 ppm2 1.789  
   OR  {434} 67 HN 67 HG2   
 ASSI  {45} 67 HE 67 HG1 3.600 1.600 1.600 peak 45 volume 0.67470E-03 ppm1 7.371 ppm2 1.787  
   OR  {45} 67 HE 67 HG2   
 ASSI  {1628} 68 HB 68 HG2% 2.200 0.600 0.600 peak 1628 volume 0.60701E-02 ppm1 2.429 ppm2 1.252   
 ASSI  {1629} 68 HB 68 HG1% 2.200 0.600 0.600 peak 1629 volume 0.70205E-02 ppm1 2.429 ppm2 1.157   
 ASSI  {288} 68 HN 68 HG1% 2.400 0.700 0.700 peak 288 volume 0.42705E-02 ppm1 7.246 ppm2 1.161   
 ASSI  {295} 68 HN 68 HB 3.400 1.400 1.400 peak 295 volume 0.23272E-02 ppm1 7.246 ppm2 2.429   
 ASSI  {3044} 68 HA 68 HB 2.200 0.600 0.600 peak 3044 volume 0.66351E-02 ppm1 4.438 ppm2 2.431   
 ASSI  {3051} 68 HA 68 HN 2.700 0.900 0.900 peak 3051 volume 0.21614E-02 ppm1 4.438 ppm2 7.246   
 ASSI  {327} 68 HG2% 68 HA 3.100 1.200 1.200 peak 327 volume 0.32693E-02 ppm1 1.250 ppm2 4.439   
 ASSI  {353} 68 HG2% 68 HN 2.100 0.600 0.600 peak 353 volume 0.73918E-02 ppm1 1.250 ppm2 7.246   
 ASSI  {764} 68 HG1% 68 HA 2.300 0.700 0.700 peak 764 volume 0.65991E-02 ppm1 1.159 ppm2 4.438   
 ASSI  {2361} 69 HB1 69 HN 3.100 1.200 1.200 peak 2361 volume 0.30185E-02 ppm1 3.023 ppm2 9.184   
 ASSI  {2362} 69 HB2 69 HN 2.600 0.800 0.800 peak 2362 volume 0.28404E-02 ppm1 2.890 ppm2 9.186   
 ASSI  {2658} 69 HA 69 HB1 2.600 0.800 0.800 peak 2658 volume 0.39775E-02 ppm1 5.269 ppm2 3.026   
 ASSI  {2659} 69 HA 69 HB2 2.800 1.000 1.000 peak 2659 volume 0.36498E-02 ppm1 5.269 ppm2 2.889   
 ASSI  {2672} 69 HA 69 HN 2.700 0.900 0.900 peak 2672 volume 0.32214E-02 ppm1 5.269 ppm2 9.185   
 ASSI  {138} 70 HN 70 HB 4.000 2.000 2.000 peak 138 volume 0.45888E-03 ppm1 7.490 ppm2 4.636   
 ASSI  {2765} 70 HA 70 HN 3.000 1.100 1.100 peak 2765 volume 0.95028E-03 ppm1 4.966 ppm2 7.511   
 ASSI  {3373} 70 HB 70 HA 2.600 0.800 0.800 peak 3373 volume 0.24098E-02 ppm1 4.639 ppm2 4.969   
 ASSI  {376} 70 HG2% 70 HN 2.800 1.000 1.000 peak 376 volume 0.25650E-02 ppm1 1.100 ppm2 7.493   
 ASSI  {382} 70 HG2% 70 HB 2.200 0.600 0.600 peak 382 volume 0.69913E-02 ppm1 1.100 ppm2 4.641   
 ASSI  {384} 70 HG2% 70 HA 2.600 0.800 0.800 peak 384 volume 0.35356E-02 ppm1 1.100 ppm2 4.967   
 ASSI  {1033} 71 HG2 71 HB2 2.400 0.700 0.700 peak 1033 volume 0.20386E-02 ppm1 1.340 ppm2 2.019   
 ASSI  {1034} 71 HG2 71 HD2 2.500 0.800 0.800 peak 1034 volume 0.15980E-02 ppm1 1.345 ppm2 2.789   
 ASSI  {1037} 71 HG1 71 HB2 2.900 1.000 1.000 peak 1037 volume 0.25269E-02 ppm1 2.211 ppm2 2.019   
 ASSI  {1038} 71 HG1 71 HD2 3.200 1.300 1.300 peak 1038 volume 0.15317E-02 ppm1 2.209 ppm2 2.788   
 ASSI  {1062} 71 HG1 71 HA 3.000 1.200 1.200 peak 1062 volume 0.99076E-03 ppm1 2.205 ppm2 4.245   
 ASSI  {1063} 71 HG1 71 HD1 2.500 0.800 0.800 peak 1063 volume 0.15350E-02 ppm1 2.207 ppm2 4.035   
 ASSI  {1597} 71 HB1 71 HB2 1.600 0.300 0.600 peak 1597 volume 0.78268E-02 ppm1 2.263 ppm2 2.021   
 ASSI  {1610} 71 HB1 71 HG2 2.800 0.900 0.900 peak 1610 volume 0.21630E-02 ppm1 2.262 ppm2 1.341   
 ASSI  {2490} 71 HD1 71 HG2 2.800 1.000 1.000 peak 2490 volume 0.20588E-02 ppm1 4.034 ppm2 1.343   
 ASSI  {2492} 71 HD1 71 HD2 1.700 0.400 0.500 peak 2492 volume 0.84225E-02 ppm1 4.035 ppm2 2.790   
 ASSI  {3239} 71 HA 71 HG2 3.500 1.500 1.500 peak 3239 volume 0.18136E-02 ppm1 4.247 ppm2 1.345   
 ASSI  {3245} 71 HA 71 HB1 2.100 0.500 0.500 peak 3245 volume 0.56594E-02 ppm1 4.247 ppm2 2.258   
 ASSI  {3246} 71 HA 71 HB2 2.800 1.000 1.000 peak 3246 volume 0.22630E-02 ppm1 4.247 ppm2 2.023   
 ASSI  {3251} 71 HA 71 HD2 3.700 1.700 1.700 peak 3251 volume 0.77582E-03 ppm1 4.249 ppm2 2.793   
 ASSI  {992} 71 HG2 71 HG1 1.600 0.300 0.600 peak 992 volume 0.84521E-02 ppm1 1.341 ppm2 2.212   
 ASSI  {1} 72 HH11 72 HD1 3.500 1.500 1.500 peak 1 volume 0.15426E-02 ppm1 6.908 ppm2 3.507  
   OR  {1} 72 HH11 72 HD1  
   OR  {1} 72 HH11 72 HD1  
   OR  {1} 72 HH11 72 HD1  
   OR  {1} 72 HH12 72 HD1  
   OR  {1} 72 HH12 72 HD1  
   OR  {1} 72 HH12 72 HD1  
   OR  {1} 72 HH12 72 HD1  
   OR  {1} 72 HH21 72 HD1  
   OR  {1} 72 HH21 72 HD1  
   OR  {1} 72 HH21 72 HD1  
   OR  {1} 72 HH21 72 HD1   
 ASSI  {12} 72 HE 72 HG2 3.700 1.700 1.700 peak 12 volume 0.63996E-03 ppm1 9.076 ppm2 1.523   
 ASSI  {1235} 72 HG1 72 HH11 5.000 3.200 1.000 peak 1235 volume 0.49387E-03 ppm1 1.677 ppm2 6.915  
   OR  {1235} 72 HG1 72 HH12  
   OR  {1235} 72 HG1 72 HH21  
   OR  {1235} 72 HG1 72 HH22   
 ASSI  {1240} 72 HG1 72 HA 3.600 1.600 1.600 peak 1240 volume 0.90779E-03 ppm1 1.671 ppm2 3.622   
 ASSI  {1241} 72 HG2 72 HA 3.500 1.500 1.500 peak 1241 volume 0.12866E-02 ppm1 1.524 ppm2 3.618   
 ASSI  {13} 72 HE 72 HB1 3.000 1.100 1.100 peak 13 volume 0.10332E-02 ppm1 9.077 ppm2 1.872   
 ASSI  {1437} 72 HB2 72 HA 3.000 1.100 1.100 peak 1437 volume 0.12828E-02 ppm1 1.616 ppm2 3.617   
 ASSI  {1438} 72 HB2 72 HD1 3.500 1.500 1.500 peak 1438 volume 0.69728E-03 ppm1 1.625 ppm2 3.507   
 ASSI  {1479} 72 HB2 72 HE 3.800 1.800 1.800 peak 1479 volume 0.39927E-03 ppm1 1.616 ppm2 9.084   
 ASSI  {1480} 72 HB2 72 HN 3.500 1.600 1.600 peak 1480 volume 0.11706E-02 ppm1 1.618 ppm2 9.003   
 ASSI  {18} 72 HE 72 HH21 2.800 1.000 1.000 peak 18 volume 0.27140E-02 ppm1 9.076 ppm2 6.910  
   OR  {18} 72 HE 72 HH11  
   OR  {18} 72 HE 72 HH12  
   OR  {18} 72 HE 72 HH22   
 ASSI  {2} 72 HH11 72 HD2 3.400 3.400 2.600 peak 2 volume 0.60137E-03 ppm1 6.907 ppm2 3.027  
   OR  {2} 72 HH11 72 HD2  
   OR  {2} 72 HH11 72 HD2  
   OR  {2} 72 HH11 72 HD2  
   OR  {2} 72 HH12 72 HD2  
   OR  {2} 72 HH12 72 HD2  
   OR  {2} 72 HH12 72 HD2  
   OR  {2} 72 HH12 72 HD2  
   OR  {2} 72 HH21 72 HD2  
   OR  {2} 72 HH21 72 HD2  
   OR  {2} 72 HH21 72 HD2  
   OR  {2} 72 HH22 72 HD2  
   OR  {2} 72 HH22 72 HD2  
   OR  {2} 72 HH22 72 HD2  
   OR  {2} 72 HH22 72 HD2   
 ASSI  {2255} 72 HD1 72 HE 2.600 0.800 0.800 peak 2255 volume 0.31645E-02 ppm1 3.508 ppm2 9.078   
 ASSI  {2256} 72 HD2 72 HE 2.600 0.800 0.800 peak 2256 volume 0.39780E-02 ppm1 3.026 ppm2 9.078   
 ASSI  {2257} 72 HD1 72 HH11 3.200 1.300 1.300 peak 2257 volume 0.26177E-02 ppm1 3.509 ppm2 6.914  
   OR  {2257} 72 HD1 72 HH12  
   OR  {2257} 72 HD1 72 HH21   
 ASSI  {2258} 72 HD2 72 HH11 2.800 1.000 1.000 peak 2258 volume 0.15283E-02 ppm1 3.027 ppm2 6.912  
   OR  {2258} 72 HD2 72 HH12  
   OR  {2258} 72 HD2 72 HH22   
 ASSI  {2261} 72 HD2 72 HA 4.800 2.900 1.200 peak 2261 volume 0.58623E-03 ppm1 3.025 ppm2 3.620   
 ASSI  {2262} 72 HD1 72 HA 4.700 2.700 1.300 peak 2262 volume 0.59893E-03 ppm1 3.503 ppm2 3.618   
 ASSI  {2263} 72 HD1 72 HB1 3.600 1.600 1.600 peak 2263 volume 0.93796E-03 ppm1 3.507 ppm2 1.873   
 ASSI  {2264} 72 HD2 72 HB1 3.200 1.300 1.300 peak 2264 volume 0.12426E-02 ppm1 3.028 ppm2 1.872   
 ASSI  {2265} 72 HD1 72 HG1 2.400 0.700 0.700 peak 2265 volume 0.37554E-02 ppm1 3.508 ppm2 1.662   
 ASSI  {2266} 72 HD2 72 HG1 2.800 1.000 1.000 peak 2266 volume 0.27322E-02 ppm1 3.025 ppm2 1.660   
 ASSI  {2267} 72 HD1 72 HG2 2.900 1.000 1.000 peak 2267 volume 0.27532E-02 ppm1 3.509 ppm2 1.526   
 ASSI  {2268} 72 HD2 72 HG2 2.700 0.900 0.900 peak 2268 volume 0.17679E-02 ppm1 3.027 ppm2 1.520   
 ASSI  {2980} 72 HA 72 HN 2.700 0.900 0.900 peak 2980 volume 0.26460E-02 ppm1 3.619 ppm2 9.003   
 ASSI  {2998} 72 HA 72 HB1 2.600 0.900 0.900 peak 2998 volume 0.30756E-02 ppm1 3.619 ppm2 1.876   
 ASSI  {495} 72 HN 72 HG2 3.200 1.300 1.300 peak 495 volume 0.75889E-03 ppm1 9.002 ppm2 1.534   
 ASSI  {5} 72 HH11 72 HG2 4.200 2.200 1.800 peak 5 volume 0.53451E-03 ppm1 6.908 ppm2 1.522  
   OR  {5} 72 HH11 72 HG2  
   OR  {5} 72 HH11 72 HG2  
   OR  {5} 72 HH11 72 HG2   
 ASSI  {500} 72 HN 72 HB1 2.500 0.800 0.800 peak 500 volume 0.24281E-02 ppm1 9.002 ppm2 1.875   
 ASSI  {6} 72 HH21 72 HE 3.000 3.000 3.000 peak 6 volume 0.17128E-02 ppm1 6.907 ppm2 9.077  
   OR  {6} 72 HH11 72 HE  
   OR  {6} 72 HH11 72 HE  
   OR  {6} 72 HH11 72 HE  
   OR  {6} 72 HH11 72 HE  
   OR  {6} 72 HH12 72 HE  
   OR  {6} 72 HH21 72 HE  
   OR  {6} 72 HH21 72 HE  
   OR  {6} 72 HH21 72 HE  
   OR  {6} 72 HH22 72 HE  
   OR  {6} 72 HH22 72 HE  
   OR  {6} 72 HH22 72 HE  
   OR  {6} 72 HH22 72 HE   
 ASSI  {1421} 73 HB1 73 HN 3.500 1.500 1.500 peak 1421 volume 0.22497E-02 ppm1 2.478 ppm2 7.843   
 ASSI  {1427} 73 HB1 73 HA 2.700 0.900 0.900 peak 1427 volume 0.23278E-02 ppm1 2.477 ppm2 4.246   
 ASSI  {1439} 73 HB1 73 HG1 2.500 0.800 0.800 peak 1439 volume 0.44334E-02 ppm1 2.478 ppm2 2.659   
 ASSI  {1720} 73 HG2 73 HN 2.800 1.000 1.000 peak 1720 volume 0.15689E-02 ppm1 2.484 ppm2 7.842   
 ASSI  {1735} 73 HG2 73 HA 2.800 1.000 1.000 peak 1735 volume 0.28153E-02 ppm1 2.483 ppm2 4.248   
 ASSI  {1738} 73 HG2 73 HG1 1.800 0.400 0.400 peak 1738 volume 0.11317E-01 ppm1 2.486 ppm2 2.660   
 ASSI  {1740} 73 HG2 73 HB2 2.200 0.600 0.600 peak 1740 volume 0.77743E-02 ppm1 2.485 ppm2 2.292   
 ASSI  {1745} 73 HG1 73 HG2 1.800 0.400 0.400 peak 1745 volume 0.11446E-01 ppm1 2.656 ppm2 2.478  
   OR  {1745} 73 HG1 73 HB1   
 ASSI  {2918} 73 HA 73 HG1 3.300 1.300 1.300 peak 2918 volume 0.28840E-02 ppm1 4.246 ppm2 2.670   
 ASSI  {2933} 73 HA 73 HN 2.700 0.900 0.900 peak 2933 volume 0.30408E-02 ppm1 4.245 ppm2 7.840   
 ASSI  {401} 73 HN 73 HG2 2.500 0.800 0.800 peak 401 volume 0.52896E-02 ppm1 7.841 ppm2 2.480  
   OR  {401} 73 HN 73 HB1   
 ASSI  {402} 73 HN 73 HB2 2.600 0.800 0.800 peak 402 volume 0.20901E-02 ppm1 7.841 ppm2 2.290   
 ASSI  {403} 73 HN 73 HG1 3.200 1.300 1.300 peak 403 volume 0.26291E-02 ppm1 7.841 ppm2 2.656   
 ASSI  {1032} 74 HG 74 HB1 2.600 0.800 0.800 peak 1032 volume 0.31691E-02 ppm1 0.994 ppm2 2.434   
 ASSI  {2104} 74 HB2 74 HG 2.300 0.600 0.600 peak 2104 volume 0.47974E-02 ppm1 1.725 ppm2 0.989   
 ASSI  {2107} 74 HB2 74 HD2% 3.100 1.200 1.200 peak 2107 volume 0.22654E-02 ppm1 1.721 ppm2 1.061  
   OR  {2107} 74 HB2 74 HD1%   
 ASSI  {2121} 74 HB2 74 HB1 1.700 0.300 0.500 peak 2121 volume 0.99037E-02 ppm1 1.720 ppm2 2.433   
 ASSI  {2134} 74 HB2 74 HA 2.400 0.700 0.700 peak 2134 volume 0.32208E-02 ppm1 1.720 ppm2 4.323   
 ASSI  {2141} 74 HB1 74 HA 3.000 1.100 1.100 peak 2141 volume 0.21515E-02 ppm1 2.434 ppm2 4.318   
 ASSI  {2153} 74 HB2 74 HN 2.600 0.900 0.900 peak 2153 volume 0.18393E-02 ppm1 1.718 ppm2 7.693   
 ASSI  {2165} 74 HB1 74 HN 2.700 0.900 0.900 peak 2165 volume 0.22251E-02 ppm1 2.434 ppm2 7.695   
 ASSI  {2865} 74 HA 74 HN 2.700 0.900 0.900 peak 2865 volume 0.24579E-02 ppm1 4.324 ppm2 7.694   
 ASSI  {407} 74 HD2% 74 HA 2.200 0.600 0.600 peak 407 volume 0.81028E-02 ppm1 1.078 ppm2 4.324  
   OR  {407} 74 HD1% 74 HA   
 ASSI  {661} 74 HD1% 74 HB1 2.600 0.900 0.900 peak 661 volume 0.27120E-02 ppm1 1.078 ppm2 2.429  
   OR  {661} 74 HD2% 74 HB1   
 ASSI  {716} 74 HN 74 HD2% 4.200 2.200 1.800 peak 716 volume 0.10031E-02 ppm1 7.702 ppm2 1.070  
   OR  {716} 74 HN 74 HD1%   
 ASSI  {1005} 75 HG 75 HD2% 2.000 0.500 0.500 peak 1005 volume 0.17804E-01 ppm1 1.705 ppm2 0.890   
 ASSI  {1026} 75 HG 75 HB2 3.000 1.100 1.100 peak 1026 volume 0.25023E-02 ppm1 1.703 ppm2 1.567   
 ASSI  {1035} 75 HG 75 HB1 2.600 0.800 0.800 peak 1035 volume 0.23886E-02 ppm1 1.702 ppm2 2.213   
 ASSI  {1058} 75 HG 75 HA 3.500 1.500 1.500 peak 1058 volume 0.93101E-03 ppm1 1.707 ppm2 3.902   
 ASSI  {2116} 75 HB2 75 HB1 1.700 0.300 0.500 peak 2116 volume 0.10204E-01 ppm1 1.553 ppm2 2.211   
 ASSI  {2130} 75 HB2 75 HA 2.500 0.800 0.800 peak 2130 volume 0.30309E-02 ppm1 1.554 ppm2 3.900   
 ASSI  {2897} 75 HA 75 HB1 2.900 1.000 1.000 peak 2897 volume 0.30960E-02 ppm1 3.904 ppm2 2.213   
 ASSI  {2907} 75 HA 75 HD1% 2.200 0.600 0.600 peak 2907 volume 0.79334E-02 ppm1 3.904 ppm2 0.807   
 ASSI  {782} 75 HN 75 HD2% 4.500 2.500 1.500 peak 782 volume 0.97290E-03 ppm1 8.734 ppm2 0.890   
 ASSI  {785} 75 HN 75 HB2 2.300 0.700 0.700 peak 785 volume 0.42233E-02 ppm1 8.735 ppm2 1.552   
 ASSI  {786} 75 HN 75 HB1 2.500 0.800 0.800 peak 786 volume 0.37810E-02 ppm1 8.735 ppm2 2.209   
 ASSI  {789} 75 HN 75 HA 2.700 0.900 0.900 peak 789 volume 0.23694E-02 ppm1 8.736 ppm2 3.904   
 ASSI  {1871} 76 HB2 76 HN 2.600 0.800 0.800 peak 1871 volume 0.42052E-02 ppm1 2.726 ppm2 8.703   
 ASSI  {2727} 76 HA 76 HN 2.700 0.900 0.900 peak 2727 volume 0.38959E-02 ppm1 4.498 ppm2 8.705   
 ASSI  {2743} 76 HA 76 HB2 2.400 0.700 0.700 peak 2743 volume 0.58774E-02 ppm1 4.497 ppm2 2.735   
 ASSI  {483} 76 HN 76 HB1 2.800 1.000 1.000 peak 483 volume 0.27306E-02 ppm1 8.704 ppm2 2.793   
 ASSI  {2253} 77 HB1 77 HN 2.500 0.800 0.800 peak 2253 volume 0.38409E-02 ppm1 2.052 ppm2 8.024   
 ASSI  {2254} 77 HB2 77 HN 2.500 0.800 0.800 peak 2254 volume 0.35643E-02 ppm1 1.918 ppm2 8.021   
 ASSI  {2260} 77 HB1 77 HA 2.700 0.900 0.900 peak 2260 volume 0.44883E-02 ppm1 2.050 ppm2 4.294   
 ASSI  {2867} 77 HA 77 HN 2.600 0.900 0.900 peak 2867 volume 0.42065E-02 ppm1 4.286 ppm2 8.026   
 ASSI  {932} 77 HN 77 HG 3.900 1.900 1.900 peak 932 volume 0.15853E-02 ppm1 8.022 ppm2 1.834   
 ASSI  {126} 78 HD1% 78 HB 2.700 0.900 0.900 peak 126 volume 0.27484E-02 ppm1 0.807 ppm2 1.947   
 ASSI  {1325} 78 HG11 78 HG12 1.600 0.300 0.600 peak 1325 volume 0.13174E-01 ppm1 1.729 ppm2 1.307   
 ASSI  {1331} 78 HG12 78 HB 3.000 1.100 1.100 peak 1331 volume 0.25835E-02 ppm1 1.306 ppm2 1.948   
 ASSI  {1336} 78 HG12 78 HA 2.600 0.800 0.800 peak 1336 volume 0.25580E-02 ppm1 1.307 ppm2 3.757   
 ASSI  {151} 78 HD1% 78 HG11 2.100 0.600 0.600 peak 151 volume 0.72278E-02 ppm1 0.808 ppm2 1.723   
 ASSI  {1762} 78 HB 78 HG11 2.400 0.700 0.700 peak 1762 volume 0.29821E-02 ppm1 1.954 ppm2 1.729   
 ASSI  {178} 78 HG2% 78 HG12 2.600 0.900 0.900 peak 178 volume 0.28320E-02 ppm1 0.878 ppm2 1.305   
 ASSI  {180} 78 HG2% 78 HB 2.300 0.700 0.700 peak 180 volume 0.52278E-02 ppm1 0.876 ppm2 1.949   
 ASSI  {181} 78 HG2% 78 HG11 3.300 1.300 1.300 peak 181 volume 0.28879E-02 ppm1 0.875 ppm2 1.721   
 ASSI  {188} 78 HG2% 78 HA 2.400 0.700 0.700 peak 188 volume 0.50258E-02 ppm1 0.876 ppm2 3.756   
 ASSI  {21} 78 HD1% 78 HN 4.300 2.300 1.700 peak 21 volume 0.10242E-02 ppm1 0.808 ppm2 8.285   
 ASSI  {29} 78 HD1% 78 HA 3.800 1.800 1.800 peak 29 volume 0.24962E-02 ppm1 0.808 ppm2 3.758   
 ASSI  {3189} 78 HA 78 HB 2.800 1.000 1.000 peak 3189 volume 0.29626E-02 ppm1 3.756 ppm2 1.951   
 ASSI  {3191} 78 HA 78 HG11 3.000 1.100 1.100 peak 3191 volume 0.26546E-02 ppm1 3.756 ppm2 1.731   
 ASSI  {683} 78 HN 78 HB 2.200 0.600 0.600 peak 683 volume 0.85519E-02 ppm1 8.285 ppm2 1.945   
 ASSI  {685} 78 HN 78 HG11 2.100 0.500 0.500 peak 685 volume 0.45695E-02 ppm1 8.285 ppm2 1.731   
 ASSI  {687} 78 HN 78 HG12 3.300 1.400 1.400 peak 687 volume 0.28087E-02 ppm1 8.285 ppm2 1.307   
 ASSI  {94} 78 HD1% 78 HG12 2.400 0.700 0.700 peak 94 volume 0.38137E-02 ppm1 0.807 ppm2 1.309   
 ASSI  {111} 79 HD21 79 HB1 3.100 1.200 1.200 peak 111 volume 0.16067E-02 ppm1 7.329 ppm2 3.098   
 ASSI  {112} 79 HD21 79 HB2 3.400 1.500 1.500 peak 112 volume 0.13108E-02 ppm1 7.329 ppm2 2.780   
 ASSI  {113} 79 HD22 79 HB1 3.300 1.400 1.400 peak 113 volume 0.28567E-02 ppm1 7.668 ppm2 3.098   
 ASSI  {114} 79 HD22 79 HB2 3.400 1.500 1.500 peak 114 volume 0.24727E-02 ppm1 7.669 ppm2 2.782   
 ASSI  {1788} 79 HB1 79 HA 2.900 1.000 1.000 peak 1788 volume 0.12394E-02 ppm1 3.099 ppm2 4.920   
 ASSI  {1789} 79 HB2 79 HA 3.300 1.300 1.300 peak 1789 volume 0.15405E-02 ppm1 2.781 ppm2 4.919   
 ASSI  {503} 79 HN 79 HB1 3.100 1.200 1.200 peak 503 volume 0.44451E-02 ppm1 8.880 ppm2 3.097   
 ASSI  {504} 79 HN 79 HB2 2.600 0.800 0.800 peak 504 volume 0.27861E-02 ppm1 8.881 ppm2 2.780   
 ASSI  {513} 79 HN 79 HA 2.700 0.900 0.900 peak 513 volume 0.26399E-02 ppm1 8.880 ppm2 4.920   
 ASSI  {521} 79 HN 79 HD22 3.900 1.900 1.900 peak 521 volume 0.78482E-03 ppm1 8.881 ppm2 7.672   
 ASSI  {523} 79 HN 79 HD21 3.400 1.500 1.500 peak 523 volume 0.50322E-03 ppm1 8.882 ppm2 7.331   
 ASSI  {97} 79 HD22 79 HA 5.300 3.500 0.700 peak 97 volume 0.40793E-03 ppm1 7.667 ppm2 4.918   
 ASSI  {2445} 80 HA1 80 HN 2.200 0.600 0.600 peak 2445 volume 0.10830E-01 ppm1 4.035 ppm2 8.444  
   OR  {2445} 80 HA2 80 HN   
 ASSI  {2534} 81 HA 81 HN 2.700 0.900 0.900 peak 2534 volume 0.40318E-02 ppm1 4.468 ppm2 7.608   
 ASSI  {268} 81 HB% 81 HN 2.300 0.600 0.600 peak 268 volume 0.92137E-02 ppm1 1.641 ppm2 7.608   
 ASSI  {296} 81 HB% 81 HA 2.200 0.600 0.600 peak 296 volume 0.12769E-01 ppm1 1.641 ppm2 4.467   
 ASSI  {2199} 82 HB2 82 HD2% 2.400 0.700 0.700 peak 2199 volume 0.78507E-02 ppm1 1.577 ppm2 0.991  
   OR  {2199} 82 HB2 82 HD1%   
 ASSI  {2207} 82 HB1 82 HB2 1.600 0.300 0.600 peak 2207 volume 0.15052E-01 ppm1 2.027 ppm2 1.574   
 ASSI  {2210} 82 HB2 82 HG 2.500 0.800 0.800 peak 2210 volume 0.37102E-02 ppm1 1.574 ppm2 1.848   
 ASSI  {2218} 82 HB1 82 HA 2.800 1.000 1.000 peak 2218 volume 0.24293E-02 ppm1 2.029 ppm2 4.225   
 ASSI  {2235} 82 HB2 82 HN 2.600 0.900 0.900 peak 2235 volume 0.18624E-02 ppm1 1.574 ppm2 8.302   
 ASSI  {2696} 82 HA 82 HG 3.000 1.100 1.100 peak 2696 volume 0.21877E-02 ppm1 4.219 ppm2 1.852   
 ASSI  {2710} 82 HA 82 HN 2.800 1.000 1.000 peak 2710 volume 0.24206E-02 ppm1 4.218 ppm2 8.301   
 ASSI  {815} 82 HD1% 82 HN 3.600 1.600 1.600 peak 815 volume 0.12595E-02 ppm1 0.998 ppm2 8.295   
 ASSI  {860} 82 HD1% 82 HA 2.400 0.700 0.700 peak 860 volume 0.10549E-01 ppm1 0.998 ppm2 4.221   
 ASSI  {864} 82 HD1% 82 HB1 3.000 1.100 1.100 peak 864 volume 0.18076E-02 ppm1 0.999 ppm2 2.033   
 ASSI  {866} 82 HD1% 82 HG 2.400 0.700 0.700 peak 866 volume 0.58098E-02 ppm1 0.998 ppm2 1.857   
 ASSI  {986} 82 HD2% 82 HB1 2.800 1.000 1.000 peak 986 volume 0.32285E-02 ppm1 0.990 ppm2 2.026   
 ASSI  {987} 82 HD2% 82 HG 2.700 0.900 0.900 peak 987 volume 0.26465E-02 ppm1 0.988 ppm2 1.852   
 ASSI  {2526} 83 HA 83 HN 2.600 0.900 0.900 peak 2526 volume 0.43582E-02 ppm1 4.298 ppm2 7.966   
 ASSI  {294} 83 HB% 83 HA 2.200 0.600 0.600 peak 294 volume 0.11763E-01 ppm1 1.621 ppm2 4.298   
 ASSI  {517} 83 HB% 83 HN 2.200 0.600 0.600 peak 517 volume 0.11578E-01 ppm1 1.621 ppm2 7.966   
 ASSI  {1419} 84 HB1 84 HN 3.200 1.300 1.300 peak 1419 volume 0.23330E-02 ppm1 2.283 ppm2 7.744   
 ASSI  {1712} 84 HG2 84 HB1 2.700 0.900 0.900 peak 1712 volume 0.42044E-02 ppm1 2.544 ppm2 2.281   
 ASSI  {1713} 84 HG2 84 HB2 3.100 1.200 1.200 peak 1713 volume 0.18985E-02 ppm1 2.543 ppm2 2.142   
 ASSI  {1715} 84 HG2 84 HA 3.700 1.700 1.700 peak 1715 volume 0.82200E-03 ppm1 2.546 ppm2 4.397   
 ASSI  {2689} 84 HA 84 HB1 2.600 0.900 0.900 peak 2689 volume 0.40011E-02 ppm1 4.395 ppm2 2.284   
 ASSI  {2690} 84 HA 84 HB2 3.000 1.100 1.100 peak 2690 volume 0.27350E-02 ppm1 4.396 ppm2 2.137   
 ASSI  {2692} 84 HA 84 HG1 3.300 1.400 1.400 peak 2692 volume 0.20476E-02 ppm1 4.397 ppm2 2.468   
 ASSI  {2709} 84 HA 84 HN 2.700 0.900 0.900 peak 2709 volume 0.40253E-02 ppm1 4.396 ppm2 7.751   
 ASSI  {442} 84 HN 84 HB2 2.600 0.800 0.800 peak 442 volume 0.40450E-02 ppm1 7.753 ppm2 2.141   
 ASSI  {443} 84 HN 84 HG2 3.300 1.400 1.400 peak 443 volume 0.11749E-02 ppm1 7.753 ppm2 2.546   
 ASSI  {444} 84 HN 84 HG1 3.900 1.900 1.900 peak 444 volume 0.80969E-03 ppm1 7.754 ppm2 2.460   
 ASSI  {1049} 85 HN 85 HB% 2.400 0.700 0.700 peak 1049 volume 0.67777E-02 ppm1 7.835 ppm2 1.586   
 ASSI  {2503} 85 HA 85 HN 2.800 1.000 1.000 peak 2503 volume 0.27824E-02 ppm1 4.486 ppm2 7.836   
 ASSI  {527} 85 HB% 85 HA 2.400 0.700 0.700 peak 527 volume 0.75874E-02 ppm1 1.584 ppm2 4.486   
 ASSI  {1102} 86 HN 86 HB% 3.400 1.400 1.400 peak 1102 volume 0.13790E-02 ppm1 7.951 ppm2 1.497   
 ASSI  {2538} 86 HA 86 HN 3.300 1.300 1.300 peak 2538 volume 0.13410E-02 ppm1 4.234 ppm2 7.953   
 ASSI  {2548} 86 HA 86 HB% 3.200 1.300 1.300 peak 2548 volume 0.14187E-02 ppm1 4.237 ppm2 1.495   


!Phi and Psi backbone angles predicted by talos and used as input for ARIA 1.2 

! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/chsee/structure_calcs/apo/pred.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid   2 and name C)
       (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       1.0 -116  44 2

! Talos derived phi restraint:
assign (resid   4 and name C)
       (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       1.0 -81  48 2

! Talos derived phi restraint:
assign (resid   5 and name C)
       (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       1.0 -99  40 2

! Talos derived phi restraint:
assign (resid   6 and name C)
       (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid   7 and name C)
       (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -59  20 2

! Talos derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  14 and name C)
       (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  16 and name C)
       (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       1.0 -73  30 2

! Talos derived phi restraint:
assign (resid  26 and name C)
       (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       1.0 -91  78 2

! Talos derived phi restraint:
assign (resid  28 and name C)
       (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       1.0 -111  72 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -94  44 2

! Talos derived phi restraint:
assign (resid  32 and name C)
       (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       1.0 -89  60 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -87  56 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  36 and name C)
       (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  37 and name C)
       (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       1.0 -100  30 2

! Talos derived phi restraint:
assign (resid  38 and name C)
       (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       1.0  83  28 2

! Talos derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -102  50 2

! Talos derived phi restraint:
assign (resid  41 and name C)
       (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       1.0 -58  20 2

! Talos derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  43 and name C)
       (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  44 and name C)
       (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  45 and name C)
       (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  47 and name C)
       (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  48 and name C)
       (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  49 and name C)
       (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  50 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  51 and name C)
       (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  52 and name C)
       (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  53 and name C)
       (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  54 and name C)
       (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -97  20 2

! Talos derived phi restraint:
assign (resid  56 and name C)
       (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       1.0  69  24 2

! Talos derived phi restraint:
assign (resid  57 and name C)
       (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       1.0 -131  36 2

! Talos derived phi restraint:
assign (resid  58 and name C)
       (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       1.0 -103  38 2

! Talos derived phi restraint:
assign (resid  59 and name C)
       (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       1.0 -104  50 2

! Talos derived phi restraint:
assign (resid  60 and name C)
       (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  61 and name C)
       (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       1.0 -57  20 2

! Talos derived phi restraint:
assign (resid  62 and name C)
       (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  63 and name C)
       (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  64 and name C)
       (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  69 and name C)
       (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       1.0 -109  52 2

! Talos derived phi restraint:
assign (resid  70 and name C)
       (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  71 and name C)
       (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  73 and name C)
       (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  74 and name C)
       (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  75 and name C)
       (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  76 and name C)
       (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  77 and name C)
       (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  79 and name C)
       (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  80 and name C)
       (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  81 and name C)
       (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  82 and name C)
       (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       1.0 -75  30 2

! Talos derived psi restraint:
assign (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       (resid   4 and name N)
       1.0 128  20 2

! Talos derived psi restraint:
assign (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       (resid   6 and name N)
       1.0 144  20 2

! Talos derived psi restraint:
assign (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       (resid   7 and name N)
       1.0 169  20 2

! Talos derived psi restraint:
assign (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       (resid   8 and name N)
       1.0 -34  20 2

! Talos derived psi restraint:
assign (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       (resid   9 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid  10 and name N)
       1.0 -40  22 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 -46  20 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       (resid  16 and name N)
       1.0 -41  24 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0 -33  20 2

! Talos derived psi restraint:
assign (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       (resid  18 and name N)
       1.0 -33  30 2

! Talos derived psi restraint:
assign (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       (resid  28 and name N)
       1.0 135  54 2

! Talos derived psi restraint:
assign (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       (resid  30 and name N)
       1.0 151  52 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 -26  28 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 -15  54 2

! Talos derived psi restraint:
assign (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       (resid  34 and name N)
       1.0 148  54 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 153  30 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 -32  20 2

! Talos derived psi restraint:
assign (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       (resid  37 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       (resid  38 and name N)
       1.0 -29  20 2

! Talos derived psi restraint:
assign (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       (resid  39 and name N)
       1.0   4  28 2

! Talos derived psi restraint:
assign (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       (resid  40 and name N)
       1.0  14  36 2

! Talos derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0 132  30 2

! Talos derived psi restraint:
assign (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       (resid  43 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       (resid  45 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       (resid  46 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       (resid  47 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       (resid  49 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       (resid  50 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       (resid  51 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       (resid  53 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       (resid  54 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       (resid  55 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       (resid  56 and name N)
       1.0 -32  20 2

! Talos derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0   3  26 2

! Talos derived psi restraint:
assign (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       (resid  58 and name N)
       1.0  31  38 2

! Talos derived psi restraint:
assign (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       (resid  59 and name N)
       1.0 156  20 2

! Talos derived psi restraint:
assign (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       (resid  60 and name N)
       1.0 132  28 2

! Talos derived psi restraint:
assign (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       (resid  61 and name N)
       1.0 131  34 2

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 134  20 2

! Talos derived psi restraint:
assign (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       (resid  63 and name N)
       1.0 -32  30 2

! Talos derived psi restraint:
assign (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       (resid  64 and name N)
       1.0 -35  20 2

! Talos derived psi restraint:
assign (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       (resid  65 and name N)
       1.0 -39  24 2

! Talos derived psi restraint:
assign (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       (resid  66 and name N)
       1.0 -26  28 2

! Talos derived psi restraint:
assign (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       (resid  71 and name N)
       1.0 155  24 2

! Talos derived psi restraint:
assign (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       (resid  72 and name N)
       1.0 -32  20 2

! Talos derived psi restraint:
assign (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       (resid  73 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       (resid  75 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       (resid  76 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       (resid  77 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       (resid  78 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       (resid  79 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 -35  20 2

! Talos derived psi restraint:
assign (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       (resid  81 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       (resid  82 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       (resid  83 and name N)
       1.0 -38  32 2

! Talos derived psi restraint:
assign (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       (resid  84 and name N)
       1.0 -24  42 2


!Raw 3J NH-CalphaH values used as input for ARIA 1.2

assign (resid      5 and name C  ) (resid      6 and name N )
       (resid      6 and name CA ) (resid      6 and name C)     9.0      1.2

assign (resid      6 and name C  ) (resid      7 and name N )
       (resid      7 and name CA ) (resid      7 and name C)     3.0      0.5

assign (resid      8 and name C  ) (resid      9 and name N )
       (resid      9 and name CA ) (resid      9 and name C)     5.0      0.8

assign (resid      9 and name C  ) (resid     10 and name N )
       (resid     10 and name CA ) (resid     10 and name C)     5.0      0.8

assign (resid     10 and name C  ) (resid     11 and name N )
       (resid     11 and name CA ) (resid     11 and name C)     2.9      0.5

assign (resid     11 and name C  ) (resid     12 and name N )
       (resid     12 and name CA ) (resid     12 and name C)     3.5      0.6

assign (resid     12 and name C  ) (resid     13 and name N )
       (resid     13 and name CA ) (resid     13 and name C)     4.6      0.8

assign (resid     13 and name C  ) (resid     14 and name N )
       (resid     14 and name CA ) (resid     14 and name C)     4.8      0.8

assign (resid     15 and name C  ) (resid     16 and name N )
       (resid     16 and name CA ) (resid     16 and name C)     4.3      0.7

assign (resid     30 and name C  ) (resid     31 and name N )
       (resid     31 and name CA ) (resid     31 and name C)     2.2      0.4

assign (resid     31 and name C  ) (resid     32 and name N )
       (resid     32 and name CA ) (resid     32 and name C)     8.8      1.2

assign (resid     32 and name C  ) (resid     33 and name N )
       (resid     33 and name CA ) (resid     33 and name C)     6.7      1.0

assign (resid     33 and name C  ) (resid     34 and name N )
       (resid     34 and name CA ) (resid     34 and name C)     6.5      1.0

assign (resid     35 and name C  ) (resid     36 and name N )
       (resid     36 and name CA ) (resid     36 and name C)     3.2      0.5

assign (resid     36 and name C  ) (resid     37 and name N )
       (resid     37 and name CA ) (resid     37 and name C)     7.3      1.1

assign (resid     37 and name C  ) (resid     38 and name N )
       (resid     38 and name CA ) (resid     38 and name C)     8.7      1.2

assign (resid     40 and name C  ) (resid     41 and name N )
       (resid     41 and name CA ) (resid     41 and name C)     7.4      1.1

assign (resid     41 and name C  ) (resid     42 and name N )
       (resid     42 and name CA ) (resid     42 and name C)     2.3      0.4

assign (resid     42 and name C  ) (resid     43 and name N )
       (resid     43 and name CA ) (resid     43 and name C)     5.0      0.8

assign (resid     43 and name C  ) (resid     44 and name N )
       (resid     44 and name CA ) (resid     44 and name C)     4.2      0.7

assign (resid     44 and name C  ) (resid     45 and name N )
       (resid     45 and name CA ) (resid     45 and name C)     4.5      0.7

assign (resid     45 and name C  ) (resid     46 and name N )
       (resid     46 and name CA ) (resid     46 and name C)     4.2      0.7

assign (resid     46 and name C  ) (resid     47 and name N )
       (resid     47 and name CA ) (resid     47 and name C)     4.4      0.7

assign (resid     47 and name C  ) (resid     48 and name N )
       (resid     48 and name CA ) (resid     48 and name C)     4.3      0.7

assign (resid     48 and name C  ) (resid     49 and name N )
       (resid     49 and name CA ) (resid     49 and name C)     3.5      0.6

assign (resid     49 and name C  ) (resid     50 and name N )
       (resid     50 and name CA ) (resid     50 and name C)     3.5      0.6

assign (resid     50 and name C  ) (resid     51 and name N )
       (resid     51 and name CA ) (resid     51 and name C)     4.7      0.8

assign (resid     51 and name C  ) (resid     52 and name N )
       (resid     52 and name CA ) (resid     52 and name C)     4.7      0.8

assign (resid     52 and name C  ) (resid     53 and name N )
       (resid     53 and name CA ) (resid     53 and name C)     3.6      0.6

assign (resid     53 and name C  ) (resid     54 and name N )
       (resid     54 and name CA ) (resid     54 and name C)     4.4      0.7

assign (resid     54 and name C  ) (resid     55 and name N )
       (resid     55 and name CA ) (resid     55 and name C)     4.6      0.7

assign (resid     55 and name C  ) (resid     56 and name N )
       (resid     56 and name CA ) (resid     56 and name C)     8.8      1.2

assign (resid     57 and name C  ) (resid     58 and name N )
       (resid     58 and name CA ) (resid     58 and name C)     8.9      1.2

assign (resid     58 and name C  ) (resid     59 and name N )
       (resid     59 and name CA ) (resid     59 and name C)     8.3      1.1

assign (resid     59 and name C  ) (resid     60 and name N )
       (resid     60 and name CA ) (resid     60 and name C)     8.8      1.2

assign (resid     61 and name C  ) (resid     62 and name N )
       (resid     62 and name CA ) (resid     62 and name C)     3.0      0.5

assign (resid     62 and name C  ) (resid     63 and name N )
       (resid     63 and name CA ) (resid     63 and name C)     5.6      0.9

assign (resid     63 and name C  ) (resid     64 and name N )
       (resid     64 and name CA ) (resid     64 and name C)     6.1      0.9

assign (resid     64 and name C  ) (resid     65 and name N )
       (resid     65 and name CA ) (resid     65 and name C)     3.6      0.6

assign (resid     66 and name C  ) (resid     67 and name N )
       (resid     67 and name CA ) (resid     67 and name C)     9.1      1.2

assign (resid     67 and name C  ) (resid     68 and name N )
       (resid     68 and name CA ) (resid     68 and name C)     6.5      1.0

assign (resid     68 and name C  ) (resid     69 and name N )
       (resid     69 and name CA ) (resid     69 and name C)     8.1      1.1

assign (resid     69 and name C  ) (resid     70 and name N )
       (resid     70 and name CA ) (resid     70 and name C)     8.8      1.2

assign (resid     71 and name C  ) (resid     72 and name N )
       (resid     72 and name CA ) (resid     72 and name C)     2.5      0.4

assign (resid     72 and name C  ) (resid     73 and name N )
       (resid     73 and name CA ) (resid     73 and name C)     4.5      0.7

assign (resid     73 and name C  ) (resid     74 and name N )
       (resid     74 and name CA ) (resid     74 and name C)     5.3      0.8

assign (resid     74 and name C  ) (resid     75 and name N )
       (resid     75 and name CA ) (resid     75 and name C)     3.4      0.6

assign (resid     76 and name C  ) (resid     77 and name N )
       (resid     77 and name CA ) (resid     77 and name C)     4.3      0.7

assign (resid     80 and name C  ) (resid     81 and name N )
       (resid     81 and name CA ) (resid     81 and name C)     5.5      0.9

assign (resid     82 and name C  ) (resid     83 and name N )
       (resid     83 and name CA ) (resid     83 and name C)     4.3      0.7


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1 -13.409   4.197  -5.633
    2    H2   MET   1           HT2      MET   1 -13.342   4.473  -7.288
    3    H3   MET   1           HT3      MET   1 -14.511   3.429  -6.707
    4    HA   MET   1           HA       MET   1 -15.475   5.520  -7.304
    5    HB2  MET   1           HB2      MET   1 -15.111   5.325  -4.287
    6    HB3  MET   1           HB1      MET   1 -16.309   6.337  -5.077
    7    HG2  MET   1           HG2      MET   1 -17.389   4.353  -5.992
    8    HG3  MET   1           HG1      MET   1 -16.173   3.335  -5.228
    9    HE1  MET   1           HE1      MET   1 -17.978   6.544  -3.764
   10    HE2  MET   1           HE2      MET   1 -19.327   5.802  -2.905
   11    HE3  MET   1           HE3      MET   1 -19.247   5.717  -4.665
   12    H    ALA   2           HN       ALA   2 -15.458   7.860  -5.670
   13    HA   ALA   2           HA       ALA   2 -13.351   9.398  -6.640
   14    HB1  ALA   2           HB1      ALA   2 -13.910  10.998  -4.842
   15    HB2  ALA   2           HB2      ALA   2 -14.862   9.750  -4.038
   16    HB3  ALA   2           HB3      ALA   2 -15.365  10.365  -5.613
   17    H    THR   3           HN       THR   3 -13.678   7.549  -3.677
   18    HA   THR   3           HA       THR   3 -11.048   7.934  -2.652
   19    HB   THR   3           HB       THR   3 -11.923   5.846  -1.395
   20    HG1  THR   3           HG1      THR   3 -13.945   5.208  -1.868
   21   HG21  THR   3          HG21      THR   3 -13.456   8.449  -1.233
   22   HG22  THR   3          HG22      THR   3 -11.921   8.111  -0.432
   23   HG23  THR   3          HG23      THR   3 -13.373   7.227   0.035
   24    H    LEU   4           HN       LEU   4  -9.453   7.395  -3.785
   25    HA   LEU   4           HA       LEU   4  -9.198   4.649  -4.489
   26    HB2  LEU   4           HB2      LEU   4 -10.328   5.878  -6.433
   27    HB3  LEU   4           HB1      LEU   4  -8.762   6.710  -6.562
   28    HG   LEU   4           HG       LEU   4  -7.744   4.570  -6.625
   29   HD11  LEU   4          HD11      LEU   4  -9.553   3.157  -5.839
   30   HD12  LEU   4          HD12      LEU   4  -9.141   2.636  -7.474
   31   HD13  LEU   4          HD13      LEU   4 -10.570   3.631  -7.199
   32   HD21  LEU   4          HD21      LEU   4  -7.892   5.919  -8.609
   33   HD22  LEU   4          HD22      LEU   4  -9.529   5.344  -8.929
   34   HD23  LEU   4          HD23      LEU   4  -8.162   4.241  -9.080
   35    H    LEU   5           HN       LEU   5  -7.025   4.184  -4.843
   36    HA   LEU   5           HA       LEU   5  -5.139   6.295  -4.134
   37    HB2  LEU   5           HB2      LEU   5  -5.022   3.325  -3.683
   38    HB3  LEU   5           HB1      LEU   5  -3.722   4.444  -3.358
   39    HG   LEU   5           HG       LEU   5  -6.384   4.356  -1.940
   40   HD11  LEU   5          HD11      LEU   5  -5.051   3.605  -0.039
   41   HD12  LEU   5          HD12      LEU   5  -3.605   3.622  -1.050
   42   HD13  LEU   5          HD13      LEU   5  -4.914   2.493  -1.402
   43   HD21  LEU   5          HD21      LEU   5  -3.953   6.064  -1.422
   44   HD22  LEU   5          HD22      LEU   5  -5.422   6.020  -0.445
   45   HD23  LEU   5          HD23      LEU   5  -5.479   6.631  -2.099
   46    H    THR   6           HN       THR   6  -3.699   6.703  -5.692
   47    HA   THR   6           HA       THR   6  -3.420   4.706  -7.788
   48    HB   THR   6           HB       THR   6  -2.255   6.528  -9.078
   49    HG1  THR   6           HG1      THR   6  -3.009   8.093  -6.788
   50   HG21  THR   6          HG21      THR   6  -4.637   6.098  -9.455
   51   HG22  THR   6          HG22      THR   6  -4.287   7.819  -9.607
   52   HG23  THR   6          HG23      THR   6  -5.051   7.200  -8.143
   53    H    THR   7           HN       THR   7  -0.862   5.097  -8.676
   54    HA   THR   7           HA       THR   7   0.687   3.738  -6.827
   55    HB   THR   7           HB       THR   7   1.775   5.532  -9.016
   56    HG1  THR   7           HG1      THR   7   1.544   3.470 -10.257
   57   HG21  THR   7          HG21      THR   7   3.403   4.494  -7.495
   58   HG22  THR   7          HG22      THR   7   3.508   3.798  -9.111
   59   HG23  THR   7          HG23      THR   7   2.694   2.912  -7.821
   60    H    ASP   8           HN       ASP   8   0.596   7.184  -7.629
   61    HA   ASP   8           HA       ASP   8   2.581   8.183  -5.961
   62    HB2  ASP   8           HB2      ASP   8   1.459   9.483  -7.716
   63    HB3  ASP   8           HB1      ASP   8  -0.027   9.477  -6.779
   64    H    ASP   9           HN       ASP   9  -0.844   7.658  -5.287
   65    HA   ASP   9           HA       ASP   9  -0.873   8.731  -2.637
   66    HB2  ASP   9           HB2      ASP   9  -2.688   6.623  -3.818
   67    HB3  ASP   9           HB1      ASP   9  -2.987   7.497  -2.331
   68    H    LEU  10           HN       LEU  10  -0.416   5.545  -3.983
   69    HA   LEU  10           HA       LEU  10  -0.440   4.088  -1.575
   70    HB2  LEU  10           HB2      LEU  10  -0.531   3.371  -4.111
   71    HB3  LEU  10           HB1      LEU  10   1.208   3.256  -3.924
   72    HG   LEU  10           HG       LEU  10   0.785   1.702  -1.992
   73   HD11  LEU  10          HD11      LEU  10  -1.433   0.637  -1.906
   74   HD12  LEU  10          HD12      LEU  10  -2.017   1.787  -3.110
   75   HD13  LEU  10          HD13      LEU  10  -1.508   2.357  -1.528
   76   HD21  LEU  10          HD21      LEU  10   0.329  -0.223  -3.443
   77   HD22  LEU  10          HD22      LEU  10   1.467   0.894  -4.198
   78   HD23  LEU  10          HD23      LEU  10  -0.219   0.869  -4.717
   79    H    ARG  11           HN       ARG  11   2.116   5.509  -3.532
   80    HA   ARG  11           HA       ARG  11   4.422   4.826  -2.166
   81    HB2  ARG  11           HB2      ARG  11   4.298   6.107  -4.291
   82    HB3  ARG  11           HB1      ARG  11   3.742   7.503  -3.390
   83    HG2  ARG  11           HG2      ARG  11   5.912   7.450  -2.136
   84    HG3  ARG  11           HG1      ARG  11   6.452   6.200  -3.263
   85    HD2  ARG  11           HD2      ARG  11   5.634   9.028  -3.921
   86    HD3  ARG  11           HD1      ARG  11   7.244   8.321  -4.059
   87    HE   ARG  11           HE       ARG  11   6.194   6.798  -5.734
   88   HH11  ARG  11          HH11      ARG  11   5.398  10.208  -5.375
   89   HH12  ARG  11          HH12      ARG  11   4.427  10.327  -6.755
   90   HH21  ARG  11          HH21      ARG  11   4.966   6.948  -7.757
   91   HH22  ARG  11          HH22      ARG  11   4.242   8.425  -8.209
   92    H    ARG  12           HN       ARG  12   2.244   7.557  -1.667
   93    HA   ARG  12           HA       ARG  12   3.494   8.887   0.423
   94    HB2  ARG  12           HB2      ARG  12   0.544   8.605  -0.117
   95    HB3  ARG  12           HB1      ARG  12   1.242   9.750   1.021
   96    HG2  ARG  12           HG2      ARG  12   2.381  10.850  -0.668
   97    HG3  ARG  12           HG1      ARG  12   1.878   9.686  -1.918
   98    HD2  ARG  12           HD2      ARG  12  -0.508  10.361  -1.280
   99    HD3  ARG  12           HD1      ARG  12   0.224  11.703  -0.399
  100    HE   ARG  12           HE       ARG  12   0.666  11.288  -3.286
  101   HH11  ARG  12          HH11      ARG  12  -0.310  13.471  -0.653
  102   HH12  ARG  12          HH12      ARG  12  -0.227  14.860  -1.638
  103   HH21  ARG  12          HH21      ARG  12   0.651  13.043  -4.551
  104   HH22  ARG  12          HH22      ARG  12   0.306  14.633  -3.980
  105    H    ALA  13           HN       ALA  13   1.168   6.248   0.570
  106    HA   ALA  13           HA       ALA  13   0.857   6.212   3.360
  107    HB1  ALA  13           HB1      ALA  13  -0.063   3.981   3.053
  108    HB2  ALA  13           HB2      ALA  13   0.586   3.926   1.415
  109    HB3  ALA  13           HB3      ALA  13  -0.680   5.082   1.823
  110    H    LEU  14           HN       LEU  14   3.050   4.389   1.236
  111    HA   LEU  14           HA       LEU  14   4.288   3.067   3.410
  112    HB2  LEU  14           HB2      LEU  14   5.132   3.370   0.548
  113    HB3  LEU  14           HB1      LEU  14   6.235   2.703   1.729
  114    HG   LEU  14           HG       LEU  14   4.477   0.951   2.212
  115   HD11  LEU  14          HD11      LEU  14   3.257   1.978  -0.329
  116   HD12  LEU  14          HD12      LEU  14   2.558   2.028   1.299
  117   HD13  LEU  14          HD13      LEU  14   2.839   0.477   0.511
  118   HD21  LEU  14          HD21      LEU  14   5.699   1.062  -0.525
  119   HD22  LEU  14          HD22      LEU  14   5.064  -0.392   0.250
  120   HD23  LEU  14          HD23      LEU  14   6.453   0.446   0.945
  121    H    VAL  15           HN       VAL  15   4.924   6.118   1.876
  122    HA   VAL  15           HA       VAL  15   7.411   6.600   3.151
  123    HB   VAL  15           HB       VAL  15   5.288   8.607   2.261
  124   HG11  VAL  15          HG11      VAL  15   8.182   9.083   2.995
  125   HG12  VAL  15          HG12      VAL  15   6.780   9.606   3.930
  126   HG13  VAL  15          HG13      VAL  15   7.079  10.290   2.332
  127   HG21  VAL  15          HG21      VAL  15   6.739   8.948   0.316
  128   HG22  VAL  15          HG22      VAL  15   6.190   7.275   0.429
  129   HG23  VAL  15          HG23      VAL  15   7.831   7.697   0.918
  130    H    GLU  16           HN       GLU  16   4.079   7.387   4.035
  131    HA   GLU  16           HA       GLU  16   4.559   8.640   6.477
  132    HB2  GLU  16           HB2      GLU  16   2.180   6.936   5.706
  133    HB3  GLU  16           HB1      GLU  16   2.235   8.030   7.071
  134    HG2  GLU  16           HG2      GLU  16   2.550   9.929   5.342
  135    HG3  GLU  16           HG1      GLU  16   2.261   8.689   4.155
  136    H    SER  17           HN       SER  17   3.928   5.152   5.830
  137    HA   SER  17           HA       SER  17   4.156   4.505   8.580
  138    HB2  SER  17           HB2      SER  17   4.127   2.113   7.709
  139    HB3  SER  17           HB1      SER  17   2.725   3.113   7.333
  140    HG   SER  17           HG       SER  17   4.889   2.407   5.621
  141    H    ALA  18           HN       ALA  18   6.528   4.983   6.174
  142    HA   ALA  18           HA       ALA  18   8.492   3.319   7.512
  143    HB1  ALA  18           HB1      ALA  18  10.062   4.112   5.816
  144    HB2  ALA  18           HB2      ALA  18   8.863   5.269   5.236
  145    HB3  ALA  18           HB3      ALA  18   8.571   3.536   5.068
  146    H    GLY  19           HN       GLY  19   7.429   6.592   7.492
  147    HA2  GLY  19           HA2      GLY  19   7.782   7.960   9.397
  148    HA3  GLY  19           HA1      GLY  19   9.304   7.119   9.679
  149    H    GLU  20           HN       GLU  20  10.817   8.590   9.517
  150    HA   GLU  20           HA       GLU  20  10.583  10.657   7.511
  151    HB2  GLU  20           HB2      GLU  20  12.731  10.197   9.594
  152    HB3  GLU  20           HB1      GLU  20  12.692  11.558   8.484
  153    HG2  GLU  20           HG2      GLU  20  10.644  10.926  10.598
  154    HG3  GLU  20           HG1      GLU  20  11.860  12.202  10.664
  155    H    THR  21           HN       THR  21  10.775   9.680   5.644
  156    HA   THR  21           HA       THR  21  13.427   8.699   4.953
  157    HB   THR  21           HB       THR  21  12.032   6.694   5.149
  158    HG1  THR  21           HG1      THR  21  12.657   5.843   3.307
  159   HG21  THR  21          HG21      THR  21  10.017   6.374   3.769
  160   HG22  THR  21          HG22      THR  21  10.160   8.031   3.185
  161   HG23  THR  21          HG23      THR  21   9.827   7.726   4.889
  162    H    ASP  22           HN       ASP  22  13.551   8.605   2.452
  163    HA   ASP  22           HA       ASP  22  12.558  11.155   1.396
  164    HB2  ASP  22           HB2      ASP  22  14.292  10.987  -0.275
  165    HB3  ASP  22           HB1      ASP  22  15.031  10.627   1.276
  166    H    GLY  23           HN       GLY  23  12.092   7.834   1.390
  167    HA2  GLY  23           HA2      GLY  23  10.191   6.834   0.418
  168    HA3  GLY  23           HA1      GLY  23  10.213   8.071  -0.836
  169    H    THR  24           HN       THR  24  13.320   7.086  -0.275
  170    HA   THR  24           HA       THR  24  14.812   6.151  -1.676
  171    HB   THR  24           HB       THR  24  14.759   3.686  -1.570
  172    HG1  THR  24           HG1      THR  24  12.693   3.407   0.105
  173   HG21  THR  24          HG21      THR  24  14.038   5.075   1.015
  174   HG22  THR  24          HG22      THR  24  15.651   4.966   0.308
  175   HG23  THR  24          HG23      THR  24  14.839   3.509   0.880
  176    H    ASP  25           HN       ASP  25  13.218   3.665  -2.832
  177    HA   ASP  25           HA       ASP  25  13.347   4.811  -5.553
  178    HB2  ASP  25           HB2      ASP  25  13.678   1.968  -4.634
  179    HB3  ASP  25           HB1      ASP  25  13.385   2.369  -6.325
  180    H    LEU  26           HN       LEU  26  11.067   4.779  -3.569
  181    HA   LEU  26           HA       LEU  26   9.014   3.320  -4.988
  182    HB2  LEU  26           HB2      LEU  26   8.968   5.186  -2.635
  183    HB3  LEU  26           HB1      LEU  26   7.483   4.711  -3.420
  184    HG   LEU  26           HG       LEU  26   7.897   2.369  -2.823
  185   HD11  LEU  26          HD11      LEU  26  10.316   2.344  -2.845
  186   HD12  LEU  26          HD12      LEU  26   9.696   1.748  -1.301
  187   HD13  LEU  26          HD13      LEU  26  10.362   3.381  -1.418
  188   HD21  LEU  26          HD21      LEU  26   6.639   3.769  -1.318
  189   HD22  LEU  26          HD22      LEU  26   8.125   4.276  -0.512
  190   HD23  LEU  26          HD23      LEU  26   7.595   2.596  -0.414
  191    H    SER  27           HN       SER  27  10.653   5.910  -5.797
  192    HA   SER  27           HA       SER  27   8.885   7.916  -6.525
  193    HB2  SER  27           HB2      SER  27  11.397   7.058  -7.938
  194    HB3  SER  27           HB1      SER  27  10.703   8.681  -7.856
  195    HG   SER  27           HG       SER  27  12.436   8.361  -6.424
  196    H    GLY  28           HN       GLY  28   7.597   8.166  -8.272
  197    HA2  GLY  28           HA2      GLY  28   6.432   7.686 -10.180
  198    HA3  GLY  28           HA1      GLY  28   7.789   6.668 -10.664
  199    H    ASP  29           HN       ASP  29   6.779   4.889 -11.310
  200    HA   ASP  29           HA       ASP  29   4.822   3.684  -9.534
  201    HB2  ASP  29           HB2      ASP  29   5.671   3.022 -12.348
  202    HB3  ASP  29           HB1      ASP  29   4.707   1.915 -11.381
  203    H    PHE  30           HN       PHE  30   5.533   2.524  -7.997
  204    HA   PHE  30           HA       PHE  30   7.958   0.965  -8.473
  205    HB2  PHE  30           HB2      PHE  30   8.389   0.966  -6.106
  206    HB3  PHE  30           HB1      PHE  30   8.011   2.615  -6.560
  207    HD1  PHE  30           HD1      PHE  30   5.561   3.412  -6.078
  208    HD2  PHE  30           HD2      PHE  30   7.325  -0.056  -4.347
  209    HE1  PHE  30           HE1      PHE  30   3.900   3.470  -4.258
  210    HE2  PHE  30           HE2      PHE  30   5.679  -0.023  -2.545
  211    HZ   PHE  30           HZ       PHE  30   3.951   1.756  -2.488
  212    H    LEU  31           HN       LEU  31   5.031   0.496  -9.054
  213    HA   LEU  31           HA       LEU  31   3.911  -1.450  -7.414
  214    HB2  LEU  31           HB2      LEU  31   3.536  -1.111 -10.376
  215    HB3  LEU  31           HB1      LEU  31   2.523  -2.089  -9.333
  216    HG   LEU  31           HG       LEU  31   2.809   0.914  -9.282
  217   HD11  LEU  31          HD11      LEU  31   0.458   0.877  -9.884
  218   HD12  LEU  31          HD12      LEU  31   0.498  -0.884  -9.893
  219   HD13  LEU  31          HD13      LEU  31   1.435   0.022 -11.090
  220   HD21  LEU  31          HD21      LEU  31   1.105   0.883  -7.524
  221   HD22  LEU  31          HD22      LEU  31   2.577   0.059  -7.004
  222   HD23  LEU  31          HD23      LEU  31   1.168  -0.881  -7.499
  223    H    ASP  32           HN       ASP  32   6.416  -1.811  -9.762
  224    HA   ASP  32           HA       ASP  32   6.209  -4.713  -9.680
  225    HB2  ASP  32           HB2      ASP  32   7.872  -4.747 -11.441
  226    HB3  ASP  32           HB1      ASP  32   6.606  -3.604 -11.858
  227    H    LEU  33           HN       LEU  33   7.762  -2.275  -7.969
  228    HA   LEU  33           HA       LEU  33  10.057  -3.879  -7.260
  229    HB2  LEU  33           HB2      LEU  33   9.117  -1.160  -6.352
  230    HB3  LEU  33           HB1      LEU  33  10.367  -2.026  -5.486
  231    HG   LEU  33           HG       LEU  33  11.704  -2.046  -7.615
  232   HD11  LEU  33          HD11      LEU  33  11.189  -0.440  -9.345
  233   HD12  LEU  33          HD12      LEU  33   9.685  -0.027  -8.528
  234   HD13  LEU  33          HD13      LEU  33   9.901  -1.642  -9.207
  235   HD21  LEU  33          HD21      LEU  33  12.192  -0.520  -5.811
  236   HD22  LEU  33          HD22      LEU  33  10.998   0.622  -6.425
  237   HD23  LEU  33          HD23      LEU  33  12.445   0.270  -7.368
  238    H    ARG  34           HN       ARG  34  10.002  -5.327  -5.895
  239    HA   ARG  34           HA       ARG  34   7.547  -5.989  -4.563
  240    HB2  ARG  34           HB2      ARG  34  10.266  -7.268  -4.489
  241    HB3  ARG  34           HB1      ARG  34   8.756  -7.998  -3.946
  242    HG2  ARG  34           HG2      ARG  34   7.923  -8.211  -6.099
  243    HG3  ARG  34           HG1      ARG  34   9.038  -7.005  -6.750
  244    HD2  ARG  34           HD2      ARG  34   9.786  -9.720  -5.709
  245    HD3  ARG  34           HD1      ARG  34   9.662  -9.259  -7.410
  246    HE   ARG  34           HE       ARG  34  11.390  -7.502  -6.728
  247   HH11  ARG  34          HH11      ARG  34  11.220 -10.735  -5.300
  248   HH12  ARG  34          HH12      ARG  34  12.912 -10.890  -5.112
  249   HH21  ARG  34          HH21      ARG  34  13.713  -7.706  -6.478
  250   HH22  ARG  34          HH22      ARG  34  14.368  -9.129  -5.863
  251    H    PHE  35           HN       PHE  35   7.286  -6.268  -2.314
  252    HA   PHE  35           HA       PHE  35   8.301  -4.124  -0.817
  253    HB2  PHE  35           HB2      PHE  35   6.936  -6.578   0.335
  254    HB3  PHE  35           HB1      PHE  35   7.119  -4.981   1.059
  255    HD1  PHE  35           HD1      PHE  35   6.078  -3.025  -0.121
  256    HD2  PHE  35           HD2      PHE  35   5.005  -7.058  -0.871
  257    HE1  PHE  35           HE1      PHE  35   3.944  -2.275  -1.045
  258    HE2  PHE  35           HE2      PHE  35   2.851  -6.313  -1.801
  259    HZ   PHE  35           HZ       PHE  35   2.289  -4.045  -1.897
  260    H    GLU  36           HN       GLU  36   9.164  -7.561  -0.859
  261    HA   GLU  36           HA       GLU  36  11.005  -7.512   1.252
  262    HB2  GLU  36           HB2      GLU  36  12.065  -9.491   0.270
  263    HB3  GLU  36           HB1      GLU  36  10.318  -9.628   0.210
  264    HG2  GLU  36           HG2      GLU  36  10.297  -9.160  -2.137
  265    HG3  GLU  36           HG1      GLU  36  12.015  -8.763  -2.118
  266    H    ASP  37           HN       ASP  37  11.281  -6.341  -1.955
  267    HA   ASP  37           HA       ASP  37  14.153  -6.129  -1.937
  268    HB2  ASP  37           HB2      ASP  37  13.055  -6.701  -4.002
  269    HB3  ASP  37           HB1      ASP  37  12.053  -5.260  -3.916
  270    H    ILE  38           HN       ILE  38  11.422  -4.094  -1.271
  271    HA   ILE  38           HA       ILE  38  13.218  -1.806  -0.999
  272    HB   ILE  38           HB       ILE  38  11.202  -0.414  -0.567
  273   HG12  ILE  38          HG12      ILE  38   9.663  -2.940  -1.220
  274   HG13  ILE  38          HG11      ILE  38   9.745  -2.169   0.358
  275   HG21  ILE  38          HG21      ILE  38  10.333  -0.418  -2.822
  276   HG22  ILE  38          HG22      ILE  38  11.108  -1.974  -3.142
  277   HG23  ILE  38          HG23      ILE  38  12.092  -0.539  -2.799
  278   HD11  ILE  38          HD11      ILE  38   7.651  -1.672  -0.766
  279   HD12  ILE  38          HD12      ILE  38   8.534  -0.979  -2.127
  280   HD13  ILE  38          HD13      ILE  38   8.611  -0.208  -0.542
  281    H    GLY  39           HN       GLY  39  12.859  -4.232   0.800
  282    HA2  GLY  39           HA2      GLY  39  13.188  -4.680   3.025
  283    HA3  GLY  39           HA1      GLY  39  13.624  -2.990   3.203
  284    H    TYR  40           HN       TYR  40  10.525  -4.342   2.207
  285    HA   TYR  40           HA       TYR  40   9.322  -3.148   4.604
  286    HB2  TYR  40           HB2      TYR  40   8.733  -2.787   1.833
  287    HB3  TYR  40           HB1      TYR  40   7.378  -3.629   2.577
  288    HD1  TYR  40           HD2      TYR  40   9.520  -0.624   2.866
  289    HD2  TYR  40           HD1      TYR  40   5.833  -2.465   3.908
  290    HE1  TYR  40           HE2      TYR  40   8.748   1.490   3.788
  291    HE2  TYR  40           HE1      TYR  40   5.031  -0.342   4.847
  292    HH   TYR  40           HH       TYR  40   6.674   2.633   4.411
  293    H    ASP  41           HN       ASP  41   8.806  -4.691   5.984
  294    HA   ASP  41           HA       ASP  41   8.247  -7.387   5.049
  295    HB2  ASP  41           HB2      ASP  41   8.170  -6.276   7.858
  296    HB3  ASP  41           HB1      ASP  41   7.959  -7.955   7.420
  297    H    SER  42           HN       SER  42   6.327  -8.492   5.633
  298    HA   SER  42           HA       SER  42   4.013  -7.221   4.900
  299    HB2  SER  42           HB2      SER  42   2.886  -9.253   5.823
  300    HB3  SER  42           HB1      SER  42   4.202  -9.536   4.679
  301    HG   SER  42           HG       SER  42   4.030 -10.431   7.211
  302    H    LEU  43           HN       LEU  43   5.340  -7.553   8.140
  303    HA   LEU  43           HA       LEU  43   2.996  -6.823   9.549
  304    HB2  LEU  43           HB2      LEU  43   5.097  -7.889  10.508
  305    HB3  LEU  43           HB1      LEU  43   5.868  -6.330  10.390
  306    HG   LEU  43           HG       LEU  43   5.161  -6.954  12.688
  307   HD11  LEU  43          HD11      LEU  43   5.447  -4.604  12.194
  308   HD12  LEU  43          HD12      LEU  43   4.117  -4.843  13.327
  309   HD13  LEU  43          HD13      LEU  43   3.780  -4.504  11.628
  310   HD21  LEU  43          HD21      LEU  43   3.146  -8.182  12.166
  311   HD22  LEU  43          HD22      LEU  43   2.372  -6.710  11.580
  312   HD23  LEU  43          HD23      LEU  43   2.784  -6.869  13.287
  313    H    ALA  44           HN       ALA  44   5.789  -4.910   8.443
  314    HA   ALA  44           HA       ALA  44   4.821  -2.393   9.235
  315    HB1  ALA  44           HB1      ALA  44   6.676  -3.082   6.949
  316    HB2  ALA  44           HB2      ALA  44   7.164  -2.781   8.619
  317    HB3  ALA  44           HB3      ALA  44   6.467  -1.480   7.657
  318    H    LEU  45           HN       LEU  45   4.507  -4.266   6.319
  319    HA   LEU  45           HA       LEU  45   3.168  -2.468   4.662
  320    HB2  LEU  45           HB2      LEU  45   4.188  -4.503   3.878
  321    HB3  LEU  45           HB1      LEU  45   3.092  -5.469   4.836
  322    HG   LEU  45           HG       LEU  45   1.232  -4.772   3.394
  323   HD11  LEU  45          HD11      LEU  45   3.383  -3.399   1.804
  324   HD12  LEU  45          HD12      LEU  45   2.098  -2.598   2.719
  325   HD13  LEU  45          HD13      LEU  45   1.696  -3.597   1.316
  326   HD21  LEU  45          HD21      LEU  45   1.933  -6.046   1.434
  327   HD22  LEU  45          HD22      LEU  45   2.467  -6.813   2.929
  328   HD23  LEU  45          HD23      LEU  45   3.616  -5.907   1.946
  329    H    MET  46           HN       MET  46   1.888  -4.828   7.000
  330    HA   MET  46           HA       MET  46  -0.849  -4.386   6.510
  331    HB2  MET  46           HB2      MET  46   0.443  -5.161   9.136
  332    HB3  MET  46           HB1      MET  46  -1.281  -5.169   8.774
  333    HG2  MET  46           HG2      MET  46  -0.993  -6.907   7.156
  334    HG3  MET  46           HG1      MET  46   0.760  -6.850   7.356
  335    HE1  MET  46           HE1      MET  46  -2.158  -8.253  10.659
  336    HE2  MET  46           HE2      MET  46  -2.677  -7.755   9.049
  337    HE3  MET  46           HE3      MET  46  -2.001  -6.566  10.162
  338    H    GLU  47           HN       GLU  47   1.426  -2.782   8.638
  339    HA   GLU  47           HA       GLU  47  -0.423  -1.086   9.936
  340    HB2  GLU  47           HB2      GLU  47   1.867  -1.584  10.739
  341    HB3  GLU  47           HB1      GLU  47   2.512  -0.639   9.405
  342    HG2  GLU  47           HG2      GLU  47   1.359   1.340  10.302
  343    HG3  GLU  47           HG1      GLU  47   0.829   0.365  11.675
  344    H    THR  48           HN       THR  48   1.324  -0.863   6.982
  345    HA   THR  48           HA       THR  48   0.958   1.867   6.294
  346    HB   THR  48           HB       THR  48   1.206  -0.552   4.467
  347    HG1  THR  48           HG1      THR  48   3.248   1.151   5.461
  348   HG21  THR  48          HG21      THR  48   2.136   1.048   2.865
  349   HG22  THR  48          HG22      THR  48   1.862   2.358   4.015
  350   HG23  THR  48          HG23      THR  48   0.491   1.486   3.327
  351    H    ALA  49           HN       ALA  49  -0.552  -1.103   5.222
  352    HA   ALA  49           HA       ALA  49  -2.779  -0.079   3.908
  353    HB1  ALA  49           HB1      ALA  49  -2.478  -2.680   5.409
  354    HB2  ALA  49           HB2      ALA  49  -1.963  -2.396   3.749
  355    HB3  ALA  49           HB3      ALA  49  -3.675  -2.333   4.160
  356    H    ALA  50           HN       ALA  50  -2.216  -0.804   7.314
  357    HA   ALA  50           HA       ALA  50  -4.748  -0.626   8.197
  358    HB1  ALA  50           HB1      ALA  50  -2.961  -1.469   9.584
  359    HB2  ALA  50           HB2      ALA  50  -3.868  -0.231  10.453
  360    HB3  ALA  50           HB3      ALA  50  -2.295   0.155   9.752
  361    H    ARG  51           HN       ARG  51  -2.396   1.902   7.748
  362    HA   ARG  51           HA       ARG  51  -3.789   4.096   8.863
  363    HB2  ARG  51           HB2      ARG  51  -1.848   4.085   6.530
  364    HB3  ARG  51           HB1      ARG  51  -2.290   5.487   7.494
  365    HG2  ARG  51           HG2      ARG  51  -1.253   4.496   9.451
  366    HG3  ARG  51           HG1      ARG  51  -0.861   3.050   8.523
  367    HD2  ARG  51           HD2      ARG  51   1.109   4.438   8.674
  368    HD3  ARG  51           HD1      ARG  51   0.518   4.447   7.019
  369    HE   ARG  51           HE       ARG  51  -0.233   6.653   7.308
  370   HH11  ARG  51          HH11      ARG  51   1.548   5.457  10.130
  371   HH12  ARG  51          HH12      ARG  51   1.874   7.006  10.757
  372   HH21  ARG  51          HH21      ARG  51   0.319   8.747   8.068
  373   HH22  ARG  51          HH22      ARG  51   1.174   8.977   9.520
  374    H    LEU  52           HN       LEU  52  -3.655   2.685   5.699
  375    HA   LEU  52           HA       LEU  52  -5.380   4.454   4.357
  376    HB2  LEU  52           HB2      LEU  52  -4.536   1.626   3.811
  377    HB3  LEU  52           HB1      LEU  52  -5.412   2.587   2.649
  378    HG   LEU  52           HG       LEU  52  -2.685   3.259   3.760
  379   HD11  LEU  52          HD11      LEU  52  -1.858   2.702   1.538
  380   HD12  LEU  52          HD12      LEU  52  -3.477   2.194   1.061
  381   HD13  LEU  52          HD13      LEU  52  -2.609   1.310   2.317
  382   HD21  LEU  52          HD21      LEU  52  -4.287   4.566   1.561
  383   HD22  LEU  52          HD22      LEU  52  -2.640   4.986   2.024
  384   HD23  LEU  52          HD23      LEU  52  -3.968   5.248   3.157
  385    H    GLU  53           HN       GLU  53  -5.915   1.330   5.962
  386    HA   GLU  53           HA       GLU  53  -8.616   0.902   5.451
  387    HB2  GLU  53           HB2      GLU  53  -7.125   0.351   8.026
  388    HB3  GLU  53           HB1      GLU  53  -8.710  -0.279   7.635
  389    HG2  GLU  53           HG2      GLU  53  -7.732  -1.542   5.784
  390    HG3  GLU  53           HG1      GLU  53  -6.139  -0.908   6.213
  391    H    SER  54           HN       SER  54  -7.132   2.557   8.153
  392    HA   SER  54           HA       SER  54  -9.464   3.386   9.440
  393    HB2  SER  54           HB2      SER  54  -6.754   4.715   9.471
  394    HB3  SER  54           HB1      SER  54  -7.990   4.790  10.727
  395    HG   SER  54           HG       SER  54  -6.221   2.726  10.076
  396    H    ARG  55           HN       ARG  55  -7.379   5.058   7.130
  397    HA   ARG  55           HA       ARG  55  -8.634   7.567   7.232
  398    HB2  ARG  55           HB2      ARG  55  -6.340   7.066   6.444
  399    HB3  ARG  55           HB1      ARG  55  -7.032   6.371   4.991
  400    HG2  ARG  55           HG2      ARG  55  -7.897   8.502   4.321
  401    HG3  ARG  55           HG1      ARG  55  -7.388   9.230   5.851
  402    HD2  ARG  55           HD2      ARG  55  -5.609   8.064   3.719
  403    HD3  ARG  55           HD1      ARG  55  -5.779   9.768   4.140
  404    HE   ARG  55           HE       ARG  55  -5.034   8.308   6.419
  405   HH11  ARG  55          HH11      ARG  55  -3.608   9.685   3.441
  406   HH12  ARG  55          HH12      ARG  55  -2.004   9.484   4.010
  407   HH21  ARG  55          HH21      ARG  55  -2.777   8.125   7.144
  408   HH22  ARG  55          HH22      ARG  55  -1.555   8.699   6.106
  409    H    TYR  56           HN       TYR  56  -9.041   4.851   4.959
  410    HA   TYR  56           HA       TYR  56 -11.109   6.384   3.606
  411    HB2  TYR  56           HB2      TYR  56  -9.621   3.903   2.777
  412    HB3  TYR  56           HB1      TYR  56 -10.956   4.598   1.856
  413    HD1  TYR  56           HD1      TYR  56 -10.724   6.983   1.004
  414    HD2  TYR  56           HD2      TYR  56  -7.474   4.764   2.604
  415    HE1  TYR  56           HE1      TYR  56  -9.140   8.482  -0.131
  416    HE2  TYR  56           HE2      TYR  56  -5.893   6.255   1.489
  417    HH   TYR  56           HH       TYR  56  -5.913   7.694  -0.511
  418    H    GLY  57           HN       GLY  57 -11.132   4.527   6.152
  419    HA2  GLY  57           HA2      GLY  57 -12.796   3.444   7.275
  420    HA3  GLY  57           HA1      GLY  57 -13.906   4.133   6.098
  421    H    VAL  58           HN       VAL  58 -11.301   1.769   5.948
  422    HA   VAL  58           HA       VAL  58 -13.209  -0.176   4.916
  423    HB   VAL  58           HB       VAL  58 -11.570  -1.015   3.251
  424   HG11  VAL  58          HG11      VAL  58 -13.281   0.497   2.484
  425   HG12  VAL  58          HG12      VAL  58 -11.781   0.763   1.592
  426   HG13  VAL  58          HG13      VAL  58 -12.260   1.882   2.870
  427   HG21  VAL  58          HG21      VAL  58  -9.962   1.446   3.941
  428   HG22  VAL  58          HG22      VAL  58  -9.631   0.348   2.602
  429   HG23  VAL  58          HG23      VAL  58  -9.502  -0.224   4.267
  430    H    SER  59           HN       SER  59 -12.003  -2.373   4.781
  431    HA   SER  59           HA       SER  59 -10.009  -2.611   6.866
  432    HB2  SER  59           HB2      SER  59 -12.251  -3.038   7.913
  433    HB3  SER  59           HB1      SER  59 -12.498  -4.344   6.752
  434    HG   SER  59           HG       SER  59 -11.311  -4.487   9.076
  435    H    ILE  60           HN       ILE  60  -8.482  -3.947   6.274
  436    HA   ILE  60           HA       ILE  60  -8.821  -5.423   3.758
  437    HB   ILE  60           HB       ILE  60  -6.323  -4.330   5.088
  438   HG12  ILE  60          HG12      ILE  60  -7.650  -3.535   2.490
  439   HG13  ILE  60          HG11      ILE  60  -7.853  -2.675   4.011
  440   HG21  ILE  60          HG21      ILE  60  -5.823  -6.425   3.935
  441   HG22  ILE  60          HG22      ILE  60  -5.119  -5.058   3.073
  442   HG23  ILE  60          HG23      ILE  60  -6.593  -5.816   2.469
  443   HD11  ILE  60          HD11      ILE  60  -5.515  -2.154   4.057
  444   HD12  ILE  60          HD12      ILE  60  -6.225  -1.599   2.536
  445   HD13  ILE  60          HD13      ILE  60  -5.242  -3.070   2.579
  446    HA   PRO  61           HA       PRO  61  -8.731  -9.169   6.252
  447    HB2  PRO  61           HB2      PRO  61  -7.758 -10.239   3.636
  448    HB3  PRO  61           HB1      PRO  61  -9.034 -10.855   4.695
  449    HG2  PRO  61           HG2      PRO  61  -9.665  -9.556   2.477
  450    HG3  PRO  61           HG1      PRO  61 -10.580  -9.274   3.971
  451    HD2  PRO  61           HD2      PRO  61  -8.508  -7.570   2.662
  452    HD3  PRO  61           HD1      PRO  61  -9.982  -7.092   3.528
  453    H    ASP  62           HN       ASP  62  -7.163  -9.748   7.520
  454    HA   ASP  62           HA       ASP  62  -4.533  -8.887   7.434
  455    HB2  ASP  62           HB2      ASP  62  -4.065 -10.365   9.314
  456    HB3  ASP  62           HB1      ASP  62  -5.626  -9.583   9.514
  457    H    ASP  63           HN       ASP  63  -5.820 -11.868   6.086
  458    HA   ASP  63           HA       ASP  63  -3.278 -13.091   5.647
  459    HB2  ASP  63           HB2      ASP  63  -5.366 -14.410   5.518
  460    HB3  ASP  63           HB1      ASP  63  -5.862 -13.484   4.105
  461    H    VAL  64           HN       VAL  64  -5.405 -11.102   3.708
  462    HA   VAL  64           HA       VAL  64  -3.781 -11.225   1.364
  463    HB   VAL  64           HB       VAL  64  -5.994  -9.246   1.989
  464   HG11  VAL  64          HG11      VAL  64  -4.838 -10.133  -0.653
  465   HG12  VAL  64          HG12      VAL  64  -4.604  -8.564   0.116
  466   HG13  VAL  64          HG13      VAL  64  -6.206  -9.040  -0.441
  467   HG21  VAL  64          HG21      VAL  64  -7.479 -10.765   0.759
  468   HG22  VAL  64          HG22      VAL  64  -6.815 -11.529   2.206
  469   HG23  VAL  64          HG23      VAL  64  -6.161 -11.930   0.618
  470    H    ALA  65           HN       ALA  65  -4.124  -9.019   4.037
  471    HA   ALA  65           HA       ALA  65  -2.707  -6.810   3.110
  472    HB1  ALA  65           HB1      ALA  65  -2.781  -7.883   5.931
  473    HB2  ALA  65           HB2      ALA  65  -3.990  -6.824   5.203
  474    HB3  ALA  65           HB3      ALA  65  -2.343  -6.243   5.456
  475    H    GLY  66           HN       GLY  66  -1.542  -9.908   4.184
  476    HA2  GLY  66           HA2      GLY  66   1.206  -8.948   3.726
  477    HA3  GLY  66           HA1      GLY  66   0.798 -10.197   4.901
  478    H    ARG  67           HN       ARG  67  -0.956 -10.192   1.978
  479    HA   ARG  67           HA       ARG  67   0.379 -12.697   1.176
  480    HB2  ARG  67           HB2      ARG  67  -2.112 -12.621   1.576
  481    HB3  ARG  67           HB1      ARG  67  -2.246 -11.530   0.214
  482    HG2  ARG  67           HG2      ARG  67  -2.868 -13.799  -0.393
  483    HG3  ARG  67           HG1      ARG  67  -1.424 -13.287  -1.272
  484    HD2  ARG  67           HD2      ARG  67  -1.244 -15.591  -0.411
  485    HD3  ARG  67           HD1      ARG  67  -0.013 -14.516   0.247
  486    HE   ARG  67           HE       ARG  67  -2.438 -14.936   1.819
  487   HH11  ARG  67          HH11      ARG  67   1.045 -15.553   1.377
  488   HH12  ARG  67          HH12      ARG  67   1.265 -16.188   2.933
  489   HH21  ARG  67          HH21      ARG  67  -2.150 -15.903   3.927
  490   HH22  ARG  67          HH22      ARG  67  -0.591 -16.408   4.423
  491    H    VAL  68           HN       VAL  68   0.013  -9.449   0.384
  492    HA   VAL  68           HA       VAL  68   0.403  -9.715  -2.434
  493    HB   VAL  68           HB       VAL  68   0.548  -7.250  -2.414
  494   HG11  VAL  68          HG11      VAL  68  -1.855  -6.907  -1.802
  495   HG12  VAL  68          HG12      VAL  68  -1.837  -8.463  -0.971
  496   HG13  VAL  68          HG13      VAL  68  -1.613  -8.396  -2.718
  497   HG21  VAL  68          HG21      VAL  68   1.432  -6.883  -0.172
  498   HG22  VAL  68          HG22      VAL  68  -0.044  -7.540   0.537
  499   HG23  VAL  68          HG23      VAL  68  -0.097  -6.023  -0.361
  500    H    ASP  69           HN       ASP  69   2.200  -9.890  -3.425
  501    HA   ASP  69           HA       ASP  69   4.764  -9.580  -2.030
  502    HB2  ASP  69           HB2      ASP  69   4.248 -10.487  -4.859
  503    HB3  ASP  69           HB1      ASP  69   5.737 -10.608  -3.940
  504    H    THR  70           HN       THR  70   2.868  -8.140  -4.516
  505    HA   THR  70           HA       THR  70   4.975  -6.174  -4.901
  506    HB   THR  70           HB       THR  70   4.048  -6.005  -7.270
  507    HG1  THR  70           HG1      THR  70   3.185  -8.623  -7.214
  508   HG21  THR  70          HG21      THR  70   5.331  -7.983  -8.051
  509   HG22  THR  70          HG22      THR  70   5.368  -8.570  -6.382
  510   HG23  THR  70          HG23      THR  70   6.190  -7.074  -6.803
  511    HA   PRO  71           HA       PRO  71   2.058  -3.060  -3.705
  512    HB2  PRO  71           HB2      PRO  71   3.215  -1.559  -5.999
  513    HB3  PRO  71           HB1      PRO  71   3.005  -1.062  -4.314
  514    HG2  PRO  71           HG2      PRO  71   5.396  -1.742  -5.183
  515    HG3  PRO  71           HG1      PRO  71   4.839  -2.282  -3.587
  516    HD2  PRO  71           HD2      PRO  71   5.015  -3.809  -6.148
  517    HD3  PRO  71           HD1      PRO  71   5.396  -4.333  -4.493
  518    H    ARG  72           HN       ARG  72   2.318  -3.904  -7.112
  519    HA   ARG  72           HA       ARG  72  -0.014  -2.718  -8.035
  520    HB2  ARG  72           HB2      ARG  72  -0.080  -4.447  -9.811
  521    HB3  ARG  72           HB1      ARG  72   1.506  -3.728  -9.607
  522    HG2  ARG  72           HG2      ARG  72   2.269  -5.703  -8.426
  523    HG3  ARG  72           HG1      ARG  72   0.654  -6.406  -8.535
  524    HD2  ARG  72           HD2      ARG  72   2.105  -7.359 -10.237
  525    HD3  ARG  72           HD1      ARG  72   0.824  -6.397 -10.969
  526    HE   ARG  72           HE       ARG  72   2.562  -4.593 -11.143
  527   HH11  ARG  72          HH11      ARG  72   3.357  -8.060 -11.341
  528   HH12  ARG  72          HH12      ARG  72   4.793  -7.834 -12.209
  529   HH21  ARG  72          HH21      ARG  72   4.554  -4.280 -12.386
  530   HH22  ARG  72          HH22      ARG  72   5.482  -5.643 -12.831
  531    H    GLU  73           HN       GLU  73   0.340  -5.823  -6.408
  532    HA   GLU  73           HA       GLU  73  -2.317  -6.749  -6.599
  533    HB2  GLU  73           HB2      GLU  73  -0.208  -7.224  -4.497
  534    HB3  GLU  73           HB1      GLU  73  -1.666  -8.173  -4.677
  535    HG2  GLU  73           HG2      GLU  73   0.486  -7.929  -6.749
  536    HG3  GLU  73           HG1      GLU  73   0.362  -9.232  -5.571
  537    H    LEU  74           HN       LEU  74  -0.551  -4.976  -4.134
  538    HA   LEU  74           HA       LEU  74  -2.653  -4.840  -2.259
  539    HB2  LEU  74           HB2      LEU  74  -0.252  -4.698  -1.683
  540    HB3  LEU  74           HB1      LEU  74  -0.125  -3.182  -2.529
  541    HG   LEU  74           HG       LEU  74  -0.139  -3.075   0.020
  542   HD11  LEU  74          HD11      LEU  74  -2.192  -1.460  -1.414
  543   HD12  LEU  74          HD12      LEU  74  -0.470  -1.110  -1.287
  544   HD13  LEU  74          HD13      LEU  74  -1.483  -1.097   0.156
  545   HD21  LEU  74          HD21      LEU  74  -3.063  -3.682  -0.373
  546   HD22  LEU  74          HD22      LEU  74  -2.308  -3.162   1.134
  547   HD23  LEU  74          HD23      LEU  74  -1.889  -4.726   0.430
  548    H    LEU  75           HN       LEU  75  -1.473  -2.585  -4.708
  549    HA   LEU  75           HA       LEU  75  -3.135  -0.412  -4.215
  550    HB2  LEU  75           HB2      LEU  75  -1.237  -0.463  -5.824
  551    HB3  LEU  75           HB1      LEU  75  -2.207  -1.450  -6.900
  552    HG   LEU  75           HG       LEU  75  -3.836   0.429  -7.059
  553   HD11  LEU  75          HD11      LEU  75  -3.315   1.537  -4.970
  554   HD12  LEU  75          HD12      LEU  75  -3.123   2.642  -6.329
  555   HD13  LEU  75          HD13      LEU  75  -1.702   1.932  -5.563
  556   HD21  LEU  75          HD21      LEU  75  -2.145   0.083  -8.782
  557   HD22  LEU  75          HD22      LEU  75  -0.997   1.059  -7.867
  558   HD23  LEU  75          HD23      LEU  75  -2.449   1.802  -8.537
  559    H    ASP  76           HN       ASP  76  -3.600  -3.176  -6.386
  560    HA   ASP  76           HA       ASP  76  -6.169  -2.542  -7.303
  561    HB2  ASP  76           HB2      ASP  76  -4.866  -4.180  -8.476
  562    HB3  ASP  76           HB1      ASP  76  -4.779  -5.208  -7.052
  563    H    LEU  77           HN       LEU  77  -5.158  -4.533  -4.568
  564    HA   LEU  77           HA       LEU  77  -7.676  -5.449  -3.813
  565    HB2  LEU  77           HB2      LEU  77  -5.446  -6.274  -2.976
  566    HB3  LEU  77           HB1      LEU  77  -5.332  -4.839  -1.990
  567    HG   LEU  77           HG       LEU  77  -5.959  -6.933  -0.762
  568   HD11  LEU  77          HD11      LEU  77  -7.736  -5.982   0.607
  569   HD12  LEU  77          HD12      LEU  77  -8.013  -4.741  -0.614
  570   HD13  LEU  77          HD13      LEU  77  -6.478  -4.799   0.252
  571   HD21  LEU  77          HD21      LEU  77  -8.533  -6.667  -2.298
  572   HD22  LEU  77          HD22      LEU  77  -8.251  -7.770  -0.949
  573   HD23  LEU  77          HD23      LEU  77  -7.347  -7.961  -2.450
  574    H    ILE  78           HN       ILE  78  -5.920  -2.544  -2.792
  575    HA   ILE  78           HA       ILE  78  -8.052  -1.679  -1.122
  576    HB   ILE  78           HB       ILE  78  -5.716  -0.049  -2.190
  577   HG12  ILE  78          HG12      ILE  78  -6.093  -1.521   0.429
  578   HG13  ILE  78          HG11      ILE  78  -5.058  -2.038  -0.896
  579   HG21  ILE  78          HG21      ILE  78  -6.199   1.468  -0.312
  580   HG22  ILE  78          HG22      ILE  78  -7.578   0.474   0.144
  581   HG23  ILE  78          HG23      ILE  78  -7.602   1.355  -1.377
  582   HD11  ILE  78          HD11      ILE  78  -4.715   0.426   0.798
  583   HD12  ILE  78          HD12      ILE  78  -3.712  -0.015  -0.586
  584   HD13  ILE  78          HD13      ILE  78  -3.730  -1.045   0.831
  585    H    ASN  79           HN       ASN  79  -7.148  -1.043  -4.454
  586    HA   ASN  79           HA       ASN  79  -9.012   1.000  -5.011
  587    HB2  ASN  79           HB2      ASN  79  -7.691  -1.077  -6.742
  588    HB3  ASN  79           HB1      ASN  79  -8.979  -0.089  -7.405
  589   HD21  ASN  79          HD21      ASN  79  -6.731   1.225  -5.062
  590   HD22  ASN  79          HD22      ASN  79  -5.873   2.222  -6.199
  591    H    GLY  80           HN       GLY  80  -9.338  -2.498  -5.067
  592    HA2  GLY  80           HA2      GLY  80 -12.031  -2.551  -5.940
  593    HA3  GLY  80           HA1      GLY  80 -11.176  -3.858  -5.135
  594    H    ALA  81           HN       ALA  81 -10.566  -2.308  -2.756
  595    HA   ALA  81           HA       ALA  81 -13.003  -2.690  -1.314
  596    HB1  ALA  81           HB1      ALA  81 -11.764  -1.822   0.624
  597    HB2  ALA  81           HB2      ALA  81 -10.460  -1.299  -0.441
  598    HB3  ALA  81           HB3      ALA  81 -10.804  -3.017  -0.249
  599    H    LEU  82           HN       LEU  82 -11.164   0.117  -2.334
  600    HA   LEU  82           HA       LEU  82 -13.016   2.034  -1.350
  601    HB2  LEU  82           HB2      LEU  82 -10.545   2.114  -3.017
  602    HB3  LEU  82           HB1      LEU  82 -11.575   3.521  -3.015
  603    HG   LEU  82           HG       LEU  82 -11.216   3.838  -0.620
  604   HD11  LEU  82          HD11      LEU  82  -9.721   2.460   0.677
  605   HD12  LEU  82          HD12      LEU  82  -9.537   1.353  -0.684
  606   HD13  LEU  82          HD13      LEU  82 -11.104   1.530   0.106
  607   HD21  LEU  82          HD21      LEU  82  -9.579   4.791  -2.133
  608   HD22  LEU  82          HD22      LEU  82  -8.633   3.304  -2.060
  609   HD23  LEU  82          HD23      LEU  82  -8.827   4.296  -0.616
  610    H    ALA  83           HN       ALA  83 -13.124   0.033  -3.994
  611    HA   ALA  83           HA       ALA  83 -14.708   1.584  -5.760
  612    HB1  ALA  83           HB1      ALA  83 -15.404  -0.558  -6.720
  613    HB2  ALA  83           HB2      ALA  83 -14.702  -1.411  -5.347
  614    HB3  ALA  83           HB3      ALA  83 -13.661  -0.522  -6.460
  615    H    GLU  84           HN       GLU  84 -15.308  -0.073  -2.812
  616    HA   GLU  84           HA       GLU  84 -18.208   0.269  -3.116
  617    HB2  GLU  84           HB2      GLU  84 -16.609  -1.547  -1.327
  618    HB3  GLU  84           HB1      GLU  84 -18.358  -1.375  -1.258
  619    HG2  GLU  84           HG2      GLU  84 -18.587  -2.236  -3.473
  620    HG3  GLU  84           HG1      GLU  84 -16.839  -2.255  -3.692
  621    H    ALA  85           HN       ALA  85 -15.451   1.007  -1.080
  622    HA   ALA  85           HA       ALA  85 -17.253   2.396   0.748
  623    HB1  ALA  85           HB1      ALA  85 -15.881   0.649   1.743
  624    HB2  ALA  85           HB2      ALA  85 -15.490   2.244   2.386
  625    HB3  ALA  85           HB3      ALA  85 -14.427   1.485   1.201
  626    H    ALA  86           HN       ALA  86 -17.014   4.479   1.214
  627    HA   ALA  86           HA       ALA  86 -14.760   5.971   0.227
  628    HB1  ALA  86           HB1      ALA  86 -16.363   6.072  -1.631
  629    HB2  ALA  86           HB2      ALA  86 -16.215   7.647  -0.850
  630    HB3  ALA  86           HB3      ALA  86 -17.619   6.631  -0.525
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1 -17.388  10.301   0.298
    2    H2   MET   1           HT2      MET   1 -17.508   8.910   1.229
    3    H3   MET   1           HT3      MET   1 -18.710   9.246   0.088
    4    HA   MET   1           HA       MET   1 -17.215   7.484  -0.592
    5    HB2  MET   1           HB2      MET   1 -16.833  10.042  -2.164
    6    HB3  MET   1           HB1      MET   1 -16.359   8.455  -2.738
    7    HG2  MET   1           HG2      MET   1 -18.704   7.744  -2.617
    8    HG3  MET   1           HG1      MET   1 -19.145   9.374  -2.110
    9    HE1  MET   1           HE1      MET   1 -20.479   7.904  -4.578
   10    HE2  MET   1           HE2      MET   1 -20.516   9.211  -5.762
   11    HE3  MET   1           HE3      MET   1 -20.900   9.542  -4.075
   12    H    ALA   2           HN       ALA   2 -15.041   7.019  -1.483
   13    HA   ALA   2           HA       ALA   2 -12.979   8.435   0.051
   14    HB1  ALA   2           HB1      ALA   2 -13.073   5.515  -0.721
   15    HB2  ALA   2           HB2      ALA   2 -13.355   6.166   0.894
   16    HB3  ALA   2           HB3      ALA   2 -11.760   6.312   0.148
   17    H    THR   3           HN       THR   3 -11.088   8.896  -1.011
   18    HA   THR   3           HA       THR   3 -11.189   8.790  -3.923
   19    HB   THR   3           HB       THR   3 -10.711  10.975  -2.944
   20    HG1  THR   3           HG1      THR   3  -8.181  10.260  -3.860
   21   HG21  THR   3          HG21      THR   3  -9.746  10.311  -0.799
   22   HG22  THR   3          HG22      THR   3  -8.662  11.416  -1.641
   23   HG23  THR   3          HG23      THR   3  -8.314   9.688  -1.618
   24    H    LEU   4           HN       LEU   4 -10.303   7.565  -5.076
   25    HA   LEU   4           HA       LEU   4  -9.126   5.212  -4.192
   26    HB2  LEU   4           HB2      LEU   4 -10.346   5.822  -6.397
   27    HB3  LEU   4           HB1      LEU   4  -8.733   6.338  -6.890
   28    HG   LEU   4           HG       LEU   4  -7.931   4.140  -6.238
   29   HD11  LEU   4          HD11      LEU   4  -9.580   2.271  -6.264
   30   HD12  LEU   4          HD12      LEU   4 -10.871   3.476  -6.273
   31   HD13  LEU   4          HD13      LEU   4  -9.773   3.371  -4.898
   32   HD21  LEU   4          HD21      LEU   4  -8.609   3.080  -8.381
   33   HD22  LEU   4          HD22      LEU   4  -8.151   4.774  -8.564
   34   HD23  LEU   4          HD23      LEU   4  -9.854   4.316  -8.559
   35    H    LEU   5           HN       LEU   5  -7.018   4.476  -4.521
   36    HA   LEU   5           HA       LEU   5  -4.969   6.507  -4.175
   37    HB2  LEU   5           HB2      LEU   5  -4.881   3.531  -3.823
   38    HB3  LEU   5           HB1      LEU   5  -3.649   4.680  -3.368
   39    HG   LEU   5           HG       LEU   5  -6.383   4.466  -2.125
   40   HD11  LEU   5          HD11      LEU   5  -5.176   3.551  -0.214
   41   HD12  LEU   5          HD12      LEU   5  -3.671   3.622  -1.132
   42   HD13  LEU   5          HD13      LEU   5  -4.971   2.550  -1.650
   43   HD21  LEU   5          HD21      LEU   5  -5.486   6.741  -2.037
   44   HD22  LEU   5          HD22      LEU   5  -3.979   6.129  -1.358
   45   HD23  LEU   5          HD23      LEU   5  -5.480   6.000  -0.437
   46    H    THR   6           HN       THR   6  -3.526   6.843  -5.798
   47    HA   THR   6           HA       THR   6  -3.336   4.804  -7.875
   48    HB   THR   6           HB       THR   6  -1.926   6.505  -9.091
   49    HG1  THR   6           HG1      THR   6  -2.704   8.228  -6.918
   50   HG21  THR   6          HG21      THR   6  -3.775   8.009  -9.706
   51   HG22  THR   6          HG22      THR   6  -4.676   7.471  -8.290
   52   HG23  THR   6          HG23      THR   6  -4.314   6.334  -9.589
   53    H    THR   7           HN       THR   7  -0.729   4.818  -8.656
   54    HA   THR   7           HA       THR   7   0.708   3.545  -6.672
   55    HB   THR   7           HB       THR   7   1.851   5.132  -8.981
   56    HG1  THR   7           HG1      THR   7   1.591   2.997 -10.033
   57   HG21  THR   7          HG21      THR   7   3.550   3.358  -8.970
   58   HG22  THR   7          HG22      THR   7   2.729   2.590  -7.606
   59   HG23  THR   7          HG23      THR   7   3.467   4.184  -7.412
   60    H    ASP   8           HN       ASP   8   0.560   6.887  -7.683
   61    HA   ASP   8           HA       ASP   8   2.609   8.033  -6.173
   62    HB2  ASP   8           HB2      ASP   8   1.457   9.175  -8.007
   63    HB3  ASP   8           HB1      ASP   8  -0.026   9.217  -7.059
   64    H    ASP   9           HN       ASP   9  -0.821   7.641  -5.415
   65    HA   ASP   9           HA       ASP   9  -0.790   8.840  -2.831
   66    HB2  ASP   9           HB2      ASP   9  -2.658   6.728  -3.925
   67    HB3  ASP   9           HB1      ASP   9  -2.910   7.596  -2.425
   68    H    LEU  10           HN       LEU  10  -0.399   5.583  -4.000
   69    HA   LEU  10           HA       LEU  10  -0.434   4.244  -1.530
   70    HB2  LEU  10           HB2      LEU  10  -0.651   3.313  -3.905
   71    HB3  LEU  10           HB1      LEU  10   1.096   3.388  -3.973
   72    HG   LEU  10           HG       LEU  10   1.170   1.876  -1.989
   73   HD11  LEU  10          HD11      LEU  10  -1.032   2.367  -1.098
   74   HD12  LEU  10          HD12      LEU  10  -0.887   0.639  -1.435
   75   HD13  LEU  10          HD13      LEU  10  -1.786   1.685  -2.534
   76   HD21  LEU  10          HD21      LEU  10   0.611  -0.144  -3.259
   77   HD22  LEU  10          HD22      LEU  10   1.463   1.024  -4.270
   78   HD23  LEU  10          HD23      LEU  10  -0.281   0.832  -4.425
   79    H    ARG  11           HN       ARG  11   2.175   5.474  -3.559
   80    HA   ARG  11           HA       ARG  11   4.473   4.776  -2.198
   81    HB2  ARG  11           HB2      ARG  11   4.398   6.002  -4.325
   82    HB3  ARG  11           HB1      ARG  11   3.824   7.424  -3.479
   83    HG2  ARG  11           HG2      ARG  11   5.980   7.358  -2.163
   84    HG3  ARG  11           HG1      ARG  11   6.532   6.142  -3.322
   85    HD2  ARG  11           HD2      ARG  11   5.671   8.968  -3.901
   86    HD3  ARG  11           HD1      ARG  11   7.294   8.290  -4.064
   87    HE   ARG  11           HE       ARG  11   6.348   6.837  -5.798
   88   HH11  ARG  11          HH11      ARG  11   4.890   9.959  -5.043
   89   HH12  ARG  11          HH12      ARG  11   4.079  10.163  -6.502
   90   HH21  ARG  11          HH21      ARG  11   5.220   7.092  -7.935
   91   HH22  ARG  11          HH22      ARG  11   4.342   8.531  -8.213
   92    H    ARG  12           HN       ARG  12   2.565   7.710  -1.827
   93    HA   ARG  12           HA       ARG  12   3.930   8.841   0.294
   94    HB2  ARG  12           HB2      ARG  12   2.449  10.200  -0.942
   95    HB3  ARG  12           HB1      ARG  12   1.095   9.117  -0.639
   96    HG2  ARG  12           HG2      ARG  12   0.955   9.790   1.631
   97    HG3  ARG  12           HG1      ARG  12   2.484  10.660   1.530
   98    HD2  ARG  12           HD2      ARG  12   0.502  12.094   1.520
   99    HD3  ARG  12           HD1      ARG  12   1.518  12.310   0.090
  100    HE   ARG  12           HE       ARG  12  -0.314  10.558  -0.759
  101   HH11  ARG  12          HH11      ARG  12  -0.696  13.664   0.958
  102   HH12  ARG  12          HH12      ARG  12  -2.177  14.025   0.188
  103   HH21  ARG  12          HH21      ARG  12  -2.360  11.063  -1.726
  104   HH22  ARG  12          HH22      ARG  12  -3.214  12.451  -1.275
  105    H    ALA  13           HN       ALA  13   1.132   6.678   0.350
  106    HA   ALA  13           HA       ALA  13   0.700   6.776   3.113
  107    HB1  ALA  13           HB1      ALA  13   0.082   4.523   1.208
  108    HB2  ALA  13           HB2      ALA  13  -0.943   5.928   1.499
  109    HB3  ALA  13           HB3      ALA  13  -0.632   4.778   2.801
  110    H    LEU  14           HN       LEU  14   2.717   4.582   1.148
  111    HA   LEU  14           HA       LEU  14   3.543   2.967   3.300
  112    HB2  LEU  14           HB2      LEU  14   4.642   3.465   0.563
  113    HB3  LEU  14           HB1      LEU  14   5.657   2.656   1.732
  114    HG   LEU  14           HG       LEU  14   3.883   0.915   1.969
  115   HD11  LEU  14          HD11      LEU  14   1.954   2.117   1.228
  116   HD12  LEU  14          HD12      LEU  14   2.196   0.675   0.241
  117   HD13  LEU  14          HD13      LEU  14   2.631   2.264  -0.395
  118   HD21  LEU  14          HD21      LEU  14   5.034   1.293  -0.785
  119   HD22  LEU  14          HD22      LEU  14   4.406  -0.222  -0.134
  120   HD23  LEU  14          HD23      LEU  14   5.827   0.527   0.594
  121    H    VAL  15           HN       VAL  15   4.829   5.964   2.020
  122    HA   VAL  15           HA       VAL  15   7.162   6.003   3.631
  123    HB   VAL  15           HB       VAL  15   5.651   8.342   2.402
  124   HG11  VAL  15          HG11      VAL  15   7.096   9.084   4.231
  125   HG12  VAL  15          HG12      VAL  15   7.743   9.603   2.672
  126   HG13  VAL  15          HG13      VAL  15   8.462   8.229   3.512
  127   HG21  VAL  15          HG21      VAL  15   6.453   6.748   0.737
  128   HG22  VAL  15          HG22      VAL  15   8.075   6.824   1.431
  129   HG23  VAL  15          HG23      VAL  15   7.378   8.248   0.658
  130    H    GLU  16           HN       GLU  16   3.954   7.462   4.032
  131    HA   GLU  16           HA       GLU  16   4.377   8.753   6.481
  132    HB2  GLU  16           HB2      GLU  16   1.836   7.500   5.451
  133    HB3  GLU  16           HB1      GLU  16   1.933   8.610   6.806
  134    HG2  GLU  16           HG2      GLU  16   2.755  10.354   5.284
  135    HG3  GLU  16           HG1      GLU  16   2.589   9.223   3.938
  136    H    SER  17           HN       SER  17   3.410   5.452   5.779
  137    HA   SER  17           HA       SER  17   2.912   4.770   8.493
  138    HB2  SER  17           HB2      SER  17   3.356   3.005   6.102
  139    HB3  SER  17           HB1      SER  17   2.611   2.539   7.635
  140    HG   SER  17           HG       SER  17   1.642   4.240   5.626
  141    H    ALA  18           HN       ALA  18   5.745   5.004   6.616
  142    HA   ALA  18           HA       ALA  18   7.285   3.288   8.390
  143    HB1  ALA  18           HB1      ALA  18   8.133   5.004   6.040
  144    HB2  ALA  18           HB2      ALA  18   7.813   3.271   5.989
  145    HB3  ALA  18           HB3      ALA  18   9.175   3.888   6.925
  146    H    GLY  19           HN       GLY  19   6.029   6.313   8.351
  147    HA2  GLY  19           HA2      GLY  19   6.305   8.091   9.784
  148    HA3  GLY  19           HA1      GLY  19   7.753   7.312  10.429
  149    H    GLU  20           HN       GLU  20   9.652   7.795   9.665
  150    HA   GLU  20           HA       GLU  20  10.110   8.780   7.072
  151    HB2  GLU  20           HB2      GLU  20   9.486  10.922   8.200
  152    HB3  GLU  20           HB1      GLU  20  10.737  10.632   9.398
  153    HG2  GLU  20           HG2      GLU  20  11.486  12.234   7.738
  154    HG3  GLU  20           HG1      GLU  20  12.446  10.757   7.663
  155    H    THR  21           HN       THR  21  11.364   7.106   6.871
  156    HA   THR  21           HA       THR  21  13.644   6.851   8.706
  157    HB   THR  21           HB       THR  21  12.372   4.632   7.061
  158    HG1  THR  21           HG1      THR  21  11.959   5.518   9.719
  159   HG21  THR  21          HG21      THR  21  13.679   3.163   8.522
  160   HG22  THR  21          HG22      THR  21  14.337   4.564   9.367
  161   HG23  THR  21          HG23      THR  21  14.745   4.282   7.673
  162    H    ASP  22           HN       ASP  22  13.142   5.313   5.615
  163    HA   ASP  22           HA       ASP  22  15.456   6.828   4.637
  164    HB2  ASP  22           HB2      ASP  22  15.897   4.406   4.975
  165    HB3  ASP  22           HB1      ASP  22  14.602   4.038   3.837
  166    H    GLY  23           HN       GLY  23  12.587   5.038   3.548
  167    HA2  GLY  23           HA2      GLY  23  10.821   5.928   2.292
  168    HA3  GLY  23           HA1      GLY  23  11.796   7.349   1.965
  169    H    THR  24           HN       THR  24  14.042   5.432   1.154
  170    HA   THR  24           HA       THR  24  15.019   4.864  -0.709
  171    HB   THR  24           HB       THR  24  13.992   3.078  -2.035
  172    HG1  THR  24           HG1      THR  24  11.661   4.080  -0.887
  173   HG21  THR  24          HG21      THR  24  14.948   2.470   0.117
  174   HG22  THR  24          HG22      THR  24  13.542   1.465  -0.235
  175   HG23  THR  24          HG23      THR  24  13.407   2.799   0.910
  176    H    ASP  25           HN       ASP  25  14.409   4.493  -3.338
  177    HA   ASP  25           HA       ASP  25  13.258   7.032  -4.149
  178    HB2  ASP  25           HB2      ASP  25  14.751   4.902  -5.745
  179    HB3  ASP  25           HB1      ASP  25  14.104   6.390  -6.430
  180    H    LEU  26           HN       LEU  26  11.211   6.521  -3.576
  181    HA   LEU  26           HA       LEU  26   9.949   4.151  -4.796
  182    HB2  LEU  26           HB2      LEU  26   9.926   4.836  -2.258
  183    HB3  LEU  26           HB1      LEU  26   8.707   5.979  -2.769
  184    HG   LEU  26           HG       LEU  26   7.339   4.069  -3.602
  185   HD11  LEU  26          HD11      LEU  26   9.159   2.491  -3.963
  186   HD12  LEU  26          HD12      LEU  26   7.953   1.820  -2.867
  187   HD13  LEU  26          HD13      LEU  26   9.475   2.440  -2.228
  188   HD21  LEU  26          HD21      LEU  26   6.947   5.042  -1.391
  189   HD22  LEU  26          HD22      LEU  26   8.149   3.959  -0.693
  190   HD23  LEU  26          HD23      LEU  26   6.660   3.303  -1.374
  191    H    SER  27           HN       SER  27  10.468   7.288  -5.438
  192    HA   SER  27           HA       SER  27   7.960   8.145  -6.346
  193    HB2  SER  27           HB2      SER  27  10.727   9.029  -7.145
  194    HB3  SER  27           HB1      SER  27   9.230   9.944  -7.361
  195    HG   SER  27           HG       SER  27  10.589  10.379  -5.412
  196    H    GLY  28           HN       GLY  28   7.192   8.187  -8.388
  197    HA2  GLY  28           HA2      GLY  28   7.156   7.573 -10.679
  198    HA3  GLY  28           HA1      GLY  28   8.481   6.450 -10.360
  199    H    ASP  29           HN       ASP  29   7.119   4.879 -11.422
  200    HA   ASP  29           HA       ASP  29   4.847   4.040  -9.776
  201    HB2  ASP  29           HB2      ASP  29   4.487   4.259 -12.244
  202    HB3  ASP  29           HB1      ASP  29   5.663   2.970 -12.489
  203    H    PHE  30           HN       PHE  30   5.472   2.797  -8.172
  204    HA   PHE  30           HA       PHE  30   7.733   1.007  -8.613
  205    HB2  PHE  30           HB2      PHE  30   8.078   0.964  -6.244
  206    HB3  PHE  30           HB1      PHE  30   7.842   2.635  -6.713
  207    HD1  PHE  30           HD1      PHE  30   5.534   3.664  -6.247
  208    HD2  PHE  30           HD2      PHE  30   6.814  -0.026  -4.568
  209    HE1  PHE  30           HE1      PHE  30   3.826   3.867  -4.479
  210    HE2  PHE  30           HE2      PHE  30   5.131   0.159  -2.805
  211    HZ   PHE  30           HZ       PHE  30   3.618   2.117  -2.760
  212    H    LEU  31           HN       LEU  31   4.741   0.570  -9.284
  213    HA   LEU  31           HA       LEU  31   3.671  -1.345  -7.592
  214    HB2  LEU  31           HB2      LEU  31   3.218  -1.027 -10.538
  215    HB3  LEU  31           HB1      LEU  31   2.312  -2.131  -9.528
  216    HG   LEU  31           HG       LEU  31   2.321   0.875  -9.399
  217   HD11  LEU  31          HD11      LEU  31   0.928  -0.113 -11.128
  218   HD12  LEU  31          HD12      LEU  31  -0.057   0.599  -9.841
  219   HD13  LEU  31          HD13      LEU  31   0.168  -1.147  -9.915
  220   HD21  LEU  31          HD21      LEU  31   2.322   0.000  -7.123
  221   HD22  LEU  31          HD22      LEU  31   0.999  -1.088  -7.534
  222   HD23  LEU  31          HD23      LEU  31   0.737   0.656  -7.537
  223    H    ASP  32           HN       ASP  32   6.182  -1.831  -9.880
  224    HA   ASP  32           HA       ASP  32   5.953  -4.738  -9.707
  225    HB2  ASP  32           HB2      ASP  32   6.568  -3.748 -11.862
  226    HB3  ASP  32           HB1      ASP  32   7.989  -3.007 -11.135
  227    H    LEU  33           HN       LEU  33   7.475  -2.254  -7.983
  228    HA   LEU  33           HA       LEU  33   9.843  -3.729  -7.289
  229    HB2  LEU  33           HB2      LEU  33   8.723  -1.162  -6.164
  230    HB3  LEU  33           HB1      LEU  33  10.279  -1.851  -5.733
  231    HG   LEU  33           HG       LEU  33   9.467  -0.790  -8.432
  232   HD11  LEU  33          HD11      LEU  33  11.197   0.880  -8.014
  233   HD12  LEU  33          HD12      LEU  33  11.475   0.192  -6.414
  234   HD13  LEU  33          HD13      LEU  33   9.925   0.943  -6.795
  235   HD21  LEU  33          HD21      LEU  33  10.904  -2.741  -8.665
  236   HD22  LEU  33          HD22      LEU  33  12.067  -2.029  -7.543
  237   HD23  LEU  33          HD23      LEU  33  11.766  -1.266  -9.102
  238    H    ARG  34           HN       ARG  34   9.875  -5.213  -5.918
  239    HA   ARG  34           HA       ARG  34   7.538  -5.985  -4.471
  240    HB2  ARG  34           HB2      ARG  34  10.349  -7.050  -4.351
  241    HB3  ARG  34           HB1      ARG  34   8.908  -7.855  -3.755
  242    HG2  ARG  34           HG2      ARG  34   8.045  -8.069  -6.007
  243    HG3  ARG  34           HG1      ARG  34   9.432  -7.173  -6.646
  244    HD2  ARG  34           HD2      ARG  34   9.666  -9.619  -6.887
  245    HD3  ARG  34           HD1      ARG  34  10.936  -8.905  -5.887
  246    HE   ARG  34           HE       ARG  34   8.537 -10.132  -4.741
  247   HH11  ARG  34          HH11      ARG  34  12.082 -10.019  -4.996
  248   HH12  ARG  34          HH12      ARG  34  12.343 -10.915  -3.576
  249   HH21  ARG  34          HH21      ARG  34   8.904 -11.290  -2.769
  250   HH22  ARG  34          HH22      ARG  34  10.527 -11.621  -2.268
  251    H    PHE  35           HN       PHE  35   7.179  -5.900  -2.286
  252    HA   PHE  35           HA       PHE  35   8.332  -3.768  -0.858
  253    HB2  PHE  35           HB2      PHE  35   6.905  -6.082   0.489
  254    HB3  PHE  35           HB1      PHE  35   7.073  -4.406   1.016
  255    HD1  PHE  35           HD1      PHE  35   5.927  -2.590  -0.304
  256    HD2  PHE  35           HD2      PHE  35   5.069  -6.725  -0.733
  257    HE1  PHE  35           HE1      PHE  35   3.728  -2.038  -1.274
  258    HE2  PHE  35           HE2      PHE  35   2.891  -6.186  -1.701
  259    HZ   PHE  35           HZ       PHE  35   2.211  -3.882  -1.979
  260    H    GLU  36           HN       GLU  36   8.943  -7.202  -0.779
  261    HA   GLU  36           HA       GLU  36  10.740  -7.384   1.336
  262    HB2  GLU  36           HB2      GLU  36   9.739  -9.321   0.201
  263    HB3  GLU  36           HB1      GLU  36  10.674  -8.976  -1.241
  264    HG2  GLU  36           HG2      GLU  36  12.731  -9.497  -0.064
  265    HG3  GLU  36           HG1      GLU  36  11.830  -9.740   1.433
  266    H    ASP  37           HN       ASP  37  11.217  -6.193  -1.911
  267    HA   ASP  37           HA       ASP  37  14.097  -6.221  -1.735
  268    HB2  ASP  37           HB2      ASP  37  13.072  -6.640  -3.905
  269    HB3  ASP  37           HB1      ASP  37  12.230  -5.098  -3.836
  270    H    ILE  38           HN       ILE  38  11.482  -3.920  -1.359
  271    HA   ILE  38           HA       ILE  38  13.397  -1.742  -1.158
  272    HB   ILE  38           HB       ILE  38  11.460  -0.210  -0.971
  273   HG12  ILE  38          HG12      ILE  38   9.791  -2.732  -1.276
  274   HG13  ILE  38          HG11      ILE  38   9.903  -1.749   0.178
  275   HG21  ILE  38          HG21      ILE  38  11.309  -2.156  -3.273
  276   HG22  ILE  38          HG22      ILE  38  12.363  -0.747  -3.163
  277   HG23  ILE  38          HG23      ILE  38  10.613  -0.536  -3.259
  278   HD11  ILE  38          HD11      ILE  38   7.836  -1.329  -1.022
  279   HD12  ILE  38          HD12      ILE  38   8.745  -0.889  -2.467
  280   HD13  ILE  38          HD13      ILE  38   8.854   0.112  -1.019
  281    H    GLY  39           HN       GLY  39  12.671  -3.958   0.903
  282    HA2  GLY  39           HA2      GLY  39  13.400  -4.046   3.111
  283    HA3  GLY  39           HA1      GLY  39  13.492  -2.298   3.122
  284    H    TYR  40           HN       TYR  40  10.577  -4.021   2.218
  285    HA   TYR  40           HA       TYR  40   9.337  -3.040   4.695
  286    HB2  TYR  40           HB2      TYR  40   8.307  -3.331   1.907
  287    HB3  TYR  40           HB1      TYR  40   7.193  -3.455   3.256
  288    HD1  TYR  40           HD2      TYR  40  10.000  -1.165   2.250
  289    HD2  TYR  40           HD1      TYR  40   6.024  -1.591   3.681
  290    HE1  TYR  40           HE2      TYR  40   9.769   1.281   2.314
  291    HE2  TYR  40           HE1      TYR  40   5.755   0.811   3.752
  292    HH   TYR  40           HH       TYR  40   7.103   2.849   3.833
  293    H    ASP  41           HN       ASP  41   8.870  -4.559   6.109
  294    HA   ASP  41           HA       ASP  41   8.534  -7.346   5.310
  295    HB2  ASP  41           HB2      ASP  41   7.996  -6.065   8.000
  296    HB3  ASP  41           HB1      ASP  41   7.989  -7.767   7.662
  297    H    SER  42           HN       SER  42   6.545  -8.452   5.560
  298    HA   SER  42           HA       SER  42   4.289  -7.092   4.785
  299    HB2  SER  42           HB2      SER  42   3.081  -9.229   5.477
  300    HB3  SER  42           HB1      SER  42   4.429  -9.341   4.336
  301    HG   SER  42           HG       SER  42   5.175  -9.633   6.993
  302    H    LEU  43           HN       LEU  43   5.455  -7.621   8.022
  303    HA   LEU  43           HA       LEU  43   3.137  -6.916   9.442
  304    HB2  LEU  43           HB2      LEU  43   5.279  -8.006  10.286
  305    HB3  LEU  43           HB1      LEU  43   6.008  -6.421  10.252
  306    HG   LEU  43           HG       LEU  43   3.618  -7.100  11.979
  307   HD11  LEU  43          HD11      LEU  43   5.225  -7.342  13.799
  308   HD12  LEU  43          HD12      LEU  43   6.549  -7.137  12.653
  309   HD13  LEU  43          HD13      LEU  43   5.487  -8.542  12.536
  310   HD21  LEU  43          HD21      LEU  43   5.659  -4.869  12.146
  311   HD22  LEU  43          HD22      LEU  43   4.323  -5.138  13.264
  312   HD23  LEU  43          HD23      LEU  43   3.995  -4.689  11.591
  313    H    ALA  44           HN       ALA  44   5.962  -4.934   8.470
  314    HA   ALA  44           HA       ALA  44   4.900  -2.465   9.313
  315    HB1  ALA  44           HB1      ALA  44   6.633  -1.445   7.919
  316    HB2  ALA  44           HB2      ALA  44   6.921  -2.994   7.130
  317    HB3  ALA  44           HB3      ALA  44   7.286  -2.795   8.844
  318    H    LEU  45           HN       LEU  45   4.626  -4.281   6.379
  319    HA   LEU  45           HA       LEU  45   3.353  -2.400   4.732
  320    HB2  LEU  45           HB2      LEU  45   4.321  -4.541   4.024
  321    HB3  LEU  45           HB1      LEU  45   3.058  -5.378   4.867
  322    HG   LEU  45           HG       LEU  45   1.379  -4.577   3.328
  323   HD11  LEU  45          HD11      LEU  45   1.991  -3.282   1.365
  324   HD12  LEU  45          HD12      LEU  45   3.655  -3.168   1.942
  325   HD13  LEU  45          HD13      LEU  45   2.353  -2.372   2.837
  326   HD21  LEU  45          HD21      LEU  45   2.603  -6.598   2.802
  327   HD22  LEU  45          HD22      LEU  45   3.824  -5.624   1.971
  328   HD23  LEU  45          HD23      LEU  45   2.185  -5.708   1.330
  329    H    MET  46           HN       MET  46   2.022  -4.881   6.864
  330    HA   MET  46           HA       MET  46  -0.681  -4.116   6.552
  331    HB2  MET  46           HB2      MET  46   0.556  -5.530   8.930
  332    HB3  MET  46           HB1      MET  46  -1.172  -5.318   8.624
  333    HG2  MET  46           HG2      MET  46  -0.998  -6.611   6.591
  334    HG3  MET  46           HG1      MET  46   0.730  -6.816   6.843
  335    HE1  MET  46           HE1      MET  46   1.782  -8.274   8.800
  336    HE2  MET  46           HE2      MET  46   0.821  -9.074  10.041
  337    HE3  MET  46           HE3      MET  46   0.891  -7.313   9.983
  338    H    GLU  47           HN       GLU  47   1.788  -2.972   8.746
  339    HA   GLU  47           HA       GLU  47   0.217  -1.239  10.326
  340    HB2  GLU  47           HB2      GLU  47   2.520  -1.789  10.905
  341    HB3  GLU  47           HB1      GLU  47   3.105  -1.111   9.403
  342    HG2  GLU  47           HG2      GLU  47   3.653   0.327  11.252
  343    HG3  GLU  47           HG1      GLU  47   2.505   1.125  10.186
  344    H    THR  48           HN       THR  48   1.480  -1.033   7.179
  345    HA   THR  48           HA       THR  48   1.131   1.767   6.677
  346    HB   THR  48           HB       THR  48   1.407  -0.555   4.740
  347    HG1  THR  48           HG1      THR  48   3.218  -0.173   6.236
  348   HG21  THR  48          HG21      THR  48   1.794   2.415   4.311
  349   HG22  THR  48          HG22      THR  48   0.466   1.444   3.674
  350   HG23  THR  48          HG23      THR  48   2.115   1.154   3.121
  351    H    ALA  49           HN       ALA  49  -0.464  -1.099   5.421
  352    HA   ALA  49           HA       ALA  49  -2.690   0.124   4.266
  353    HB1  ALA  49           HB1      ALA  49  -2.451  -2.655   5.408
  354    HB2  ALA  49           HB2      ALA  49  -1.905  -2.160   3.807
  355    HB3  ALA  49           HB3      ALA  49  -3.622  -2.111   4.206
  356    H    ALA  50           HN       ALA  50  -2.054  -0.676   7.591
  357    HA   ALA  50           HA       ALA  50  -4.521  -0.753   8.627
  358    HB1  ALA  50           HB1      ALA  50  -2.067   0.435   9.888
  359    HB2  ALA  50           HB2      ALA  50  -2.585  -1.255   9.951
  360    HB3  ALA  50           HB3      ALA  50  -3.539  -0.003  10.752
  361    H    ARG  51           HN       ARG  51  -2.419   1.972   7.940
  362    HA   ARG  51           HA       ARG  51  -4.056   4.005   9.002
  363    HB2  ARG  51           HB2      ARG  51  -1.851   4.104   6.969
  364    HB3  ARG  51           HB1      ARG  51  -2.643   5.537   7.594
  365    HG2  ARG  51           HG2      ARG  51  -1.938   4.813   9.882
  366    HG3  ARG  51           HG1      ARG  51  -0.998   3.534   9.110
  367    HD2  ARG  51           HD2      ARG  51   0.456   5.402   9.552
  368    HD3  ARG  51           HD1      ARG  51   0.203   5.263   7.814
  369    HE   ARG  51           HE       ARG  51  -1.666   7.038   8.433
  370   HH11  ARG  51          HH11      ARG  51   1.550   6.901   9.817
  371   HH12  ARG  51          HH12      ARG  51   1.862   8.575   9.658
  372   HH21  ARG  51          HH21      ARG  51  -1.328   9.321   8.284
  373   HH22  ARG  51          HH22      ARG  51   0.161  10.006   8.694
  374    H    LEU  52           HN       LEU  52  -3.793   2.537   5.759
  375    HA   LEU  52           HA       LEU  52  -5.467   4.292   4.459
  376    HB2  LEU  52           HB2      LEU  52  -4.687   1.440   4.107
  377    HB3  LEU  52           HB1      LEU  52  -5.821   2.168   3.005
  378    HG   LEU  52           HG       LEU  52  -3.698   2.100   2.081
  379   HD11  LEU  52          HD11      LEU  52  -4.366   4.933   2.895
  380   HD12  LEU  52          HD12      LEU  52  -4.991   4.063   1.495
  381   HD13  LEU  52          HD13      LEU  52  -3.291   4.515   1.560
  382   HD21  LEU  52          HD21      LEU  52  -1.730   3.287   2.920
  383   HD22  LEU  52          HD22      LEU  52  -2.268   2.018   4.020
  384   HD23  LEU  52          HD23      LEU  52  -2.624   3.713   4.377
  385    H    GLU  53           HN       GLU  53  -6.112   1.283   6.222
  386    HA   GLU  53           HA       GLU  53  -8.866   1.193   5.834
  387    HB2  GLU  53           HB2      GLU  53  -7.230   0.245   8.191
  388    HB3  GLU  53           HB1      GLU  53  -8.938  -0.106   7.981
  389    HG2  GLU  53           HG2      GLU  53  -8.391  -1.215   5.841
  390    HG3  GLU  53           HG1      GLU  53  -6.685  -0.956   6.187
  391    H    SER  54           HN       SER  54  -7.018   2.737   8.444
  392    HA   SER  54           HA       SER  54  -9.231   3.827   9.789
  393    HB2  SER  54           HB2      SER  54  -6.396   4.872   9.644
  394    HB3  SER  54           HB1      SER  54  -7.590   5.302  10.870
  395    HG   SER  54           HG       SER  54  -7.693   3.087  11.401
  396    H    ARG  55           HN       ARG  55  -7.082   5.374   7.416
  397    HA   ARG  55           HA       ARG  55  -8.235   7.925   7.475
  398    HB2  ARG  55           HB2      ARG  55  -5.983   7.601   6.702
  399    HB3  ARG  55           HB1      ARG  55  -6.518   6.559   5.400
  400    HG2  ARG  55           HG2      ARG  55  -7.563   8.456   4.289
  401    HG3  ARG  55           HG1      ARG  55  -7.099   9.510   5.628
  402    HD2  ARG  55           HD2      ARG  55  -5.128   7.970   3.931
  403    HD3  ARG  55           HD1      ARG  55  -5.594   9.643   3.622
  404    HE   ARG  55           HE       ARG  55  -4.799   9.675   6.204
  405   HH11  ARG  55          HH11      ARG  55  -3.124   8.445   3.294
  406   HH12  ARG  55          HH12      ARG  55  -1.586   9.007   3.828
  407   HH21  ARG  55          HH21      ARG  55  -2.631  10.447   6.823
  408   HH22  ARG  55          HH22      ARG  55  -1.320  10.157   5.773
  409    H    TYR  56           HN       TYR  56  -8.978   5.152   5.395
  410    HA   TYR  56           HA       TYR  56 -10.912   6.864   4.055
  411    HB2  TYR  56           HB2      TYR  56  -9.648   4.296   3.125
  412    HB3  TYR  56           HB1      TYR  56 -10.998   5.069   2.284
  413    HD1  TYR  56           HD1      TYR  56 -10.740   7.446   1.549
  414    HD2  TYR  56           HD2      TYR  56  -7.431   5.078   2.766
  415    HE1  TYR  56           HE1      TYR  56  -9.232   9.034   0.485
  416    HE2  TYR  56           HE2      TYR  56  -5.894   6.673   1.682
  417    HH   TYR  56           HH       TYR  56  -5.930   8.497  -0.078
  418    H    GLY  57           HN       GLY  57 -10.974   4.856   6.575
  419    HA2  GLY  57           HA2      GLY  57 -12.689   3.837   7.710
  420    HA3  GLY  57           HA1      GLY  57 -13.785   4.734   6.663
  421    H    VAL  58           HN       VAL  58 -11.440   2.154   6.196
  422    HA   VAL  58           HA       VAL  58 -13.507   0.550   4.961
  423    HB   VAL  58           HB       VAL  58 -12.266   1.915   3.212
  424   HG11  VAL  58          HG11      VAL  58 -10.071   1.941   4.091
  425   HG12  VAL  58          HG12      VAL  58 -10.045   1.207   2.487
  426   HG13  VAL  58          HG13      VAL  58  -9.929   0.191   3.924
  427   HG21  VAL  58          HG21      VAL  58 -11.990   0.059   1.595
  428   HG22  VAL  58          HG22      VAL  58 -13.485  -0.062   2.522
  429   HG23  VAL  58          HG23      VAL  58 -12.109  -1.089   2.928
  430    H    SER  59           HN       SER  59 -12.267  -1.723   4.391
  431    HA   SER  59           HA       SER  59 -10.487  -2.343   6.584
  432    HB2  SER  59           HB2      SER  59 -11.937  -4.448   6.862
  433    HB3  SER  59           HB1      SER  59 -12.567  -2.932   7.521
  434    HG   SER  59           HG       SER  59 -13.554  -4.508   5.513
  435    H    ILE  60           HN       ILE  60  -9.039  -3.799   6.075
  436    HA   ILE  60           HA       ILE  60  -9.057  -4.925   3.352
  437    HB   ILE  60           HB       ILE  60  -6.709  -4.126   5.111
  438   HG12  ILE  60          HG12      ILE  60  -7.638  -2.975   2.471
  439   HG13  ILE  60          HG11      ILE  60  -7.934  -2.251   4.049
  440   HG21  ILE  60          HG21      ILE  60  -6.659  -5.318   2.334
  441   HG22  ILE  60          HG22      ILE  60  -6.140  -6.117   3.817
  442   HG23  ILE  60          HG23      ILE  60  -5.257  -4.710   3.219
  443   HD11  ILE  60          HD11      ILE  60  -5.537  -1.993   4.370
  444   HD12  ILE  60          HD12      ILE  60  -6.084  -1.166   2.908
  445   HD13  ILE  60          HD13      ILE  60  -5.241  -2.715   2.792
  446    HA   PRO  61           HA       PRO  61  -9.261  -8.873   5.453
  447    HB2  PRO  61           HB2      PRO  61  -8.001  -9.905   2.976
  448    HB3  PRO  61           HB1      PRO  61  -9.523 -10.380   3.738
  449    HG2  PRO  61           HG2      PRO  61  -9.494  -8.948   1.484
  450    HG3  PRO  61           HG1      PRO  61 -10.710  -8.664   2.743
  451    HD2  PRO  61           HD2      PRO  61  -8.254  -7.093   2.094
  452    HD3  PRO  61           HD1      PRO  61  -9.864  -6.524   2.576
  453    H    ASP  62           HN       ASP  62  -7.856  -9.472   6.886
  454    HA   ASP  62           HA       ASP  62  -5.160  -8.776   7.111
  455    HB2  ASP  62           HB2      ASP  62  -6.536 -11.167   8.364
  456    HB3  ASP  62           HB1      ASP  62  -4.956 -10.555   8.824
  457    H    ASP  63           HN       ASP  63  -6.644 -11.492   5.632
  458    HA   ASP  63           HA       ASP  63  -4.441 -13.210   5.315
  459    HB2  ASP  63           HB2      ASP  63  -6.717 -13.968   5.052
  460    HB3  ASP  63           HB1      ASP  63  -6.965 -12.873   3.702
  461    H    VAL  64           HN       VAL  64  -5.869 -10.804   3.140
  462    HA   VAL  64           HA       VAL  64  -4.012 -11.363   1.033
  463    HB   VAL  64           HB       VAL  64  -5.779  -8.915   1.338
  464   HG11  VAL  64          HG11      VAL  64  -5.608  -8.758  -1.102
  465   HG12  VAL  64          HG12      VAL  64  -4.518 -10.144  -1.111
  466   HG13  VAL  64          HG13      VAL  64  -4.028  -8.641  -0.329
  467   HG21  VAL  64          HG21      VAL  64  -7.128 -10.936   1.450
  468   HG22  VAL  64          HG22      VAL  64  -6.379 -11.538  -0.029
  469   HG23  VAL  64          HG23      VAL  64  -7.395 -10.097  -0.077
  470    H    ALA  65           HN       ALA  65  -4.239  -9.084   3.640
  471    HA   ALA  65           HA       ALA  65  -2.345  -7.206   2.863
  472    HB1  ALA  65           HB1      ALA  65  -2.278  -6.517   5.161
  473    HB2  ALA  65           HB2      ALA  65  -2.951  -8.060   5.686
  474    HB3  ALA  65           HB3      ALA  65  -3.935  -6.944   4.737
  475    H    GLY  66           HN       GLY  66  -1.823 -10.432   4.062
  476    HA2  GLY  66           HA2      GLY  66   1.046  -9.844   4.381
  477    HA3  GLY  66           HA1      GLY  66   0.213 -11.227   5.078
  478    H    ARG  67           HN       ARG  67  -0.935 -10.803   2.008
  479    HA   ARG  67           HA       ARG  67   0.894 -12.878   0.994
  480    HB2  ARG  67           HB2      ARG  67  -2.002 -12.341   0.355
  481    HB3  ARG  67           HB1      ARG  67  -1.002 -13.447  -0.578
  482    HG2  ARG  67           HG2      ARG  67  -0.706 -14.884   1.306
  483    HG3  ARG  67           HG1      ARG  67  -1.470 -13.712   2.381
  484    HD2  ARG  67           HD2      ARG  67  -2.987 -15.540   1.825
  485    HD3  ARG  67           HD1      ARG  67  -3.584 -14.000   1.219
  486    HE   ARG  67           HE       ARG  67  -2.068 -15.572  -0.682
  487   HH11  ARG  67          HH11      ARG  67  -5.335 -14.828   0.560
  488   HH12  ARG  67          HH12      ARG  67  -6.124 -15.427  -0.827
  489   HH21  ARG  67          HH21      ARG  67  -3.165 -16.361  -2.546
  490   HH22  ARG  67          HH22      ARG  67  -4.871 -16.307  -2.618
  491    H    VAL  68           HN       VAL  68   0.146  -9.660   0.583
  492    HA   VAL  68           HA       VAL  68   0.551  -9.579  -2.255
  493    HB   VAL  68           HB       VAL  68   0.556  -7.053  -1.912
  494   HG11  VAL  68          HG11      VAL  68  -1.798  -8.623  -0.859
  495   HG12  VAL  68          HG12      VAL  68  -1.449  -8.274  -2.554
  496   HG13  VAL  68          HG13      VAL  68  -1.853  -6.961  -1.449
  497   HG21  VAL  68          HG21      VAL  68  -0.269  -6.215   0.242
  498   HG22  VAL  68          HG22      VAL  68   1.295  -7.010   0.428
  499   HG23  VAL  68          HG23      VAL  68  -0.182  -7.846   0.912
  500    H    ASP  69           HN       ASP  69   2.426  -9.879  -3.141
  501    HA   ASP  69           HA       ASP  69   4.905  -9.304  -1.677
  502    HB2  ASP  69           HB2      ASP  69   4.607 -11.513  -2.820
  503    HB3  ASP  69           HB1      ASP  69   4.473 -10.660  -4.343
  504    H    THR  70           HN       THR  70   3.071  -8.272  -4.398
  505    HA   THR  70           HA       THR  70   5.048  -6.162  -4.802
  506    HB   THR  70           HB       THR  70   4.300  -6.126  -7.204
  507    HG1  THR  70           HG1      THR  70   2.890  -8.455  -6.320
  508   HG21  THR  70          HG21      THR  70   6.363  -7.228  -6.566
  509   HG22  THR  70          HG22      THR  70   5.558  -8.185  -7.820
  510   HG23  THR  70          HG23      THR  70   5.468  -8.675  -6.121
  511    HA   PRO  71           HA       PRO  71   2.040  -3.120  -3.770
  512    HB2  PRO  71           HB2      PRO  71   3.114  -1.627  -6.104
  513    HB3  PRO  71           HB1      PRO  71   2.926  -1.113  -4.420
  514    HG2  PRO  71           HG2      PRO  71   5.313  -1.736  -5.331
  515    HG3  PRO  71           HG1      PRO  71   4.809  -2.277  -3.719
  516    HD2  PRO  71           HD2      PRO  71   4.943  -3.819  -6.278
  517    HD3  PRO  71           HD1      PRO  71   5.420  -4.312  -4.640
  518    H    ARG  72           HN       ARG  72   2.322  -3.945  -7.187
  519    HA   ARG  72           HA       ARG  72  -0.073  -2.910  -8.097
  520    HB2  ARG  72           HB2      ARG  72  -0.042  -4.835  -9.772
  521    HB3  ARG  72           HB1      ARG  72   1.365  -3.787  -9.739
  522    HG2  ARG  72           HG2      ARG  72   2.573  -5.450  -8.422
  523    HG3  ARG  72           HG1      ARG  72   1.156  -6.496  -8.448
  524    HD2  ARG  72           HD2      ARG  72   2.860  -7.138 -10.113
  525    HD3  ARG  72           HD1      ARG  72   1.305  -6.721 -10.829
  526    HE   ARG  72           HE       ARG  72   2.276  -4.557 -11.403
  527   HH11  ARG  72          HH11      ARG  72   4.560  -7.237 -10.756
  528   HH12  ARG  72          HH12      ARG  72   5.779  -6.586 -11.755
  529   HH21  ARG  72          HH21      ARG  72   3.940  -3.792 -12.886
  530   HH22  ARG  72          HH22      ARG  72   5.381  -4.680 -13.066
  531    H    GLU  73           HN       GLU  73   0.449  -6.020  -6.501
  532    HA   GLU  73           HA       GLU  73  -2.184  -7.018  -6.687
  533    HB2  GLU  73           HB2      GLU  73  -0.106  -7.539  -4.560
  534    HB3  GLU  73           HB1      GLU  73  -1.506  -8.541  -4.909
  535    HG2  GLU  73           HG2      GLU  73  -0.599  -9.104  -7.072
  536    HG3  GLU  73           HG1      GLU  73   0.769  -8.025  -6.802
  537    H    LEU  74           HN       LEU  74  -0.468  -5.197  -4.259
  538    HA   LEU  74           HA       LEU  74  -2.537  -5.176  -2.335
  539    HB2  LEU  74           HB2      LEU  74  -0.175  -4.939  -1.743
  540    HB3  LEU  74           HB1      LEU  74  -0.065  -3.446  -2.635
  541    HG   LEU  74           HG       LEU  74  -0.079  -3.262  -0.095
  542   HD11  LEU  74          HD11      LEU  74  -2.168  -1.730  -1.571
  543   HD12  LEU  74          HD12      LEU  74  -0.452  -1.345  -1.467
  544   HD13  LEU  74          HD13      LEU  74  -1.457  -1.300  -0.019
  545   HD21  LEU  74          HD21      LEU  74  -1.797  -4.927   0.373
  546   HD22  LEU  74          HD22      LEU  74  -2.995  -3.931  -0.456
  547   HD23  LEU  74          HD23      LEU  74  -2.243  -3.350   1.028
  548    H    LEU  75           HN       LEU  75  -1.462  -2.758  -4.708
  549    HA   LEU  75           HA       LEU  75  -3.239  -0.737  -4.007
  550    HB2  LEU  75           HB2      LEU  75  -1.277  -0.445  -5.491
  551    HB3  LEU  75           HB1      LEU  75  -2.122  -1.325  -6.752
  552    HG   LEU  75           HG       LEU  75  -3.852   0.457  -6.787
  553   HD11  LEU  75          HD11      LEU  75  -3.620   1.244  -4.504
  554   HD12  LEU  75          HD12      LEU  75  -3.421   2.568  -5.650
  555   HD13  LEU  75          HD13      LEU  75  -2.009   1.861  -4.867
  556   HD21  LEU  75          HD21      LEU  75  -2.470   2.157  -7.872
  557   HD22  LEU  75          HD22      LEU  75  -1.993   0.531  -8.360
  558   HD23  LEU  75          HD23      LEU  75  -1.022   1.421  -7.187
  559    H    ASP  76           HN       ASP  76  -3.575  -3.257  -6.523
  560    HA   ASP  76           HA       ASP  76  -6.119  -2.493  -7.424
  561    HB2  ASP  76           HB2      ASP  76  -4.704  -4.081  -8.662
  562    HB3  ASP  76           HB1      ASP  76  -4.915  -5.277  -7.393
  563    H    LEU  77           HN       LEU  77  -5.186  -4.601  -4.781
  564    HA   LEU  77           HA       LEU  77  -7.753  -5.554  -4.121
  565    HB2  LEU  77           HB2      LEU  77  -5.581  -6.505  -3.296
  566    HB3  LEU  77           HB1      LEU  77  -5.385  -5.105  -2.278
  567    HG   LEU  77           HG       LEU  77  -6.088  -7.194  -1.093
  568   HD11  LEU  77          HD11      LEU  77  -8.046  -4.926  -0.850
  569   HD12  LEU  77          HD12      LEU  77  -6.496  -5.071  -0.019
  570   HD13  LEU  77          HD13      LEU  77  -7.795  -6.211   0.332
  571   HD21  LEU  77          HD21      LEU  77  -8.678  -6.792  -2.572
  572   HD22  LEU  77          HD22      LEU  77  -8.419  -7.934  -1.253
  573   HD23  LEU  77          HD23      LEU  77  -7.549  -8.129  -2.775
  574    H    ILE  78           HN       ILE  78  -5.899  -2.791  -2.877
  575    HA   ILE  78           HA       ILE  78  -7.999  -1.911  -1.188
  576    HB   ILE  78           HB       ILE  78  -5.646  -0.281  -2.240
  577   HG12  ILE  78          HG12      ILE  78  -6.019  -1.781   0.366
  578   HG13  ILE  78          HG11      ILE  78  -4.962  -2.268  -0.955
  579   HG21  ILE  78          HG21      ILE  78  -7.501   0.250   0.093
  580   HG22  ILE  78          HG22      ILE  78  -7.481   1.143  -1.427
  581   HG23  ILE  78          HG23      ILE  78  -6.089   1.216  -0.340
  582   HD11  ILE  78          HD11      ILE  78  -3.677  -1.266   0.826
  583   HD12  ILE  78          HD12      ILE  78  -4.667   0.196   0.762
  584   HD13  ILE  78          HD13      ILE  78  -3.626  -0.233  -0.596
  585    H    ASN  79           HN       ASN  79  -7.094  -1.145  -4.493
  586    HA   ASN  79           HA       ASN  79  -8.960   0.934  -4.943
  587    HB2  ASN  79           HB2      ASN  79  -7.862  -1.105  -6.912
  588    HB3  ASN  79           HB1      ASN  79  -8.848   0.270  -7.374
  589   HD21  ASN  79          HD21      ASN  79  -7.477   2.036  -5.412
  590   HD22  ASN  79          HD22      ASN  79  -5.936   2.371  -6.142
  591    H    GLY  80           HN       GLY  80  -9.239  -2.551  -5.082
  592    HA2  GLY  80           HA2      GLY  80 -11.876  -2.649  -6.086
  593    HA3  GLY  80           HA1      GLY  80 -11.037  -3.941  -5.238
  594    H    ALA  81           HN       ALA  81 -10.538  -2.562  -2.846
  595    HA   ALA  81           HA       ALA  81 -13.028  -2.857  -1.518
  596    HB1  ALA  81           HB1      ALA  81 -10.475  -1.580  -0.524
  597    HB2  ALA  81           HB2      ALA  81 -10.884  -3.290  -0.397
  598    HB3  ALA  81           HB3      ALA  81 -11.831  -2.088   0.483
  599    H    LEU  82           HN       LEU  82 -11.075  -0.031  -2.433
  600    HA   LEU  82           HA       LEU  82 -12.801   1.920  -1.374
  601    HB2  LEU  82           HB2      LEU  82 -10.719   2.045  -3.530
  602    HB3  LEU  82           HB1      LEU  82 -11.538   3.456  -2.926
  603    HG   LEU  82           HG       LEU  82  -9.682   1.636  -1.392
  604   HD11  LEU  82          HD11      LEU  82  -8.251   3.609  -1.271
  605   HD12  LEU  82          HD12      LEU  82  -9.404   4.503  -2.261
  606   HD13  LEU  82          HD13      LEU  82  -8.548   3.118  -2.939
  607   HD21  LEU  82          HD21      LEU  82  -9.932   3.206   0.473
  608   HD22  LEU  82          HD22      LEU  82 -11.465   2.430   0.076
  609   HD23  LEU  82          HD23      LEU  82 -11.160   4.089  -0.435
  610    H    ALA  83           HN       ALA  83 -12.942   0.052  -4.232
  611    HA   ALA  83           HA       ALA  83 -14.517   1.678  -5.886
  612    HB1  ALA  83           HB1      ALA  83 -14.494  -1.328  -5.672
  613    HB2  ALA  83           HB2      ALA  83 -13.399  -0.358  -6.657
  614    HB3  ALA  83           HB3      ALA  83 -15.126  -0.388  -7.023
  615    H    GLU  84           HN       GLU  84 -15.260  -0.186  -3.091
  616    HA   GLU  84           HA       GLU  84 -18.137  -0.089  -3.545
  617    HB2  GLU  84           HB2      GLU  84 -16.548  -1.230  -1.247
  618    HB3  GLU  84           HB1      GLU  84 -18.260  -1.476  -1.551
  619    HG2  GLU  84           HG2      GLU  84 -16.030  -2.389  -3.354
  620    HG3  GLU  84           HG1      GLU  84 -16.886  -3.403  -2.195
  621    H    ALA  85           HN       ALA  85 -15.815   1.914  -2.374
  622    HA   ALA  85           HA       ALA  85 -17.336   2.979  -0.122
  623    HB1  ALA  85           HB1      ALA  85 -15.316   4.300   0.327
  624    HB2  ALA  85           HB2      ALA  85 -14.575   3.668  -1.144
  625    HB3  ALA  85           HB3      ALA  85 -14.940   2.582   0.197
  626    H    ALA  86           HN       ALA  86 -18.266   3.229  -2.819
  627    HA   ALA  86           HA       ALA  86 -18.072   6.109  -3.276
  628    HB1  ALA  86           HB1      ALA  86 -19.072   3.909  -5.103
  629    HB2  ALA  86           HB2      ALA  86 -17.509   4.721  -5.226
  630    HB3  ALA  86           HB3      ALA  86 -18.997   5.625  -5.509
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1 -14.320   8.023 -10.075
    2    H2   MET   1           HT2      MET   1 -15.017   6.573  -9.625
    3    H3   MET   1           HT3      MET   1 -13.378   6.620 -10.159
    4    HA   MET   1           HA       MET   1 -14.494   7.824  -7.696
    5    HB2  MET   1           HB2      MET   1 -12.452   5.623  -8.139
    6    HB3  MET   1           HB1      MET   1 -12.804   6.349  -6.581
    7    HG2  MET   1           HG2      MET   1 -14.788   4.841  -8.271
    8    HG3  MET   1           HG1      MET   1 -13.882   4.161  -6.923
    9    HE1  MET   1           HE1      MET   1 -15.298   6.156  -3.880
   10    HE2  MET   1           HE2      MET   1 -13.860   6.531  -4.834
   11    HE3  MET   1           HE3      MET   1 -14.222   4.858  -4.403
   12    H    ALA   2           HN       ALA   2 -13.589   9.715  -7.297
   13    HA   ALA   2           HA       ALA   2 -11.205  10.533  -8.676
   14    HB1  ALA   2           HB1      ALA   2 -13.012  12.138  -8.261
   15    HB2  ALA   2           HB2      ALA   2 -11.521  12.651  -7.475
   16    HB3  ALA   2           HB3      ALA   2 -12.815  11.917  -6.522
   17    H    THR   3           HN       THR   3 -12.213   9.935  -5.353
   18    HA   THR   3           HA       THR   3  -9.425   9.901  -4.492
   19    HB   THR   3           HB       THR   3 -11.950   9.589  -2.963
   20    HG1  THR   3           HG1      THR   3 -10.295  11.844  -3.514
   21   HG21  THR   3          HG21      THR   3  -9.133  10.225  -2.046
   22   HG22  THR   3          HG22      THR   3  -9.986   8.701  -1.788
   23   HG23  THR   3          HG23      THR   3 -10.545  10.170  -0.989
   24    H    LEU   4           HN       LEU   4  -8.452   8.311  -4.937
   25    HA   LEU   4           HA       LEU   4  -9.230   5.718  -4.050
   26    HB2  LEU   4           HB2      LEU   4 -10.132   6.053  -6.432
   27    HB3  LEU   4           HB1      LEU   4  -8.448   6.336  -6.865
   28    HG   LEU   4           HG       LEU   4  -7.899   4.168  -6.021
   29   HD11  LEU   4          HD11      LEU   4  -9.722   2.465  -5.821
   30   HD12  LEU   4          HD12      LEU   4 -10.899   3.770  -5.966
   31   HD13  LEU   4          HD13      LEU   4  -9.804   3.721  -4.586
   32   HD21  LEU   4          HD21      LEU   4  -9.843   4.271  -8.320
   33   HD22  LEU   4          HD22      LEU   4  -8.720   2.945  -8.019
   34   HD23  LEU   4          HD23      LEU   4  -8.103   4.557  -8.388
   35    H    LEU   5           HN       LEU   5  -7.166   4.459  -4.212
   36    HA   LEU   5           HA       LEU   5  -4.901   6.225  -3.919
   37    HB2  LEU   5           HB2      LEU   5  -5.190   3.251  -3.546
   38    HB3  LEU   5           HB1      LEU   5  -3.734   4.169  -3.251
   39    HG   LEU   5           HG       LEU   5  -6.327   4.425  -1.733
   40   HD11  LEU   5          HD11      LEU   5  -5.060   3.441   0.106
   41   HD12  LEU   5          HD12      LEU   5  -3.666   3.254  -0.958
   42   HD13  LEU   5          HD13      LEU   5  -5.147   2.352  -1.280
   43   HD21  LEU   5          HD21      LEU   5  -3.659   5.760  -1.290
   44   HD22  LEU   5          HD22      LEU   5  -5.060   5.873  -0.227
   45   HD23  LEU   5          HD23      LEU   5  -5.129   6.550  -1.856
   46    H    THR   6           HN       THR   6  -3.703   6.630  -5.650
   47    HA   THR   6           HA       THR   6  -3.584   4.608  -7.740
   48    HB   THR   6           HB       THR   6  -2.470   6.387  -9.067
   49    HG1  THR   6           HG1      THR   6  -3.048   8.155  -6.870
   50   HG21  THR   6          HG21      THR   6  -4.415   7.876  -9.323
   51   HG22  THR   6          HG22      THR   6  -5.060   7.290  -7.788
   52   HG23  THR   6          HG23      THR   6  -4.918   6.191  -9.161
   53    H    THR   7           HN       THR   7  -1.065   4.826  -8.709
   54    HA   THR   7           HA       THR   7   0.641   3.667  -6.864
   55    HB   THR   7           HB       THR   7   1.425   5.331  -9.286
   56    HG1  THR   7           HG1      THR   7   1.305   3.133 -10.296
   57   HG21  THR   7          HG21      THR   7   2.758   2.960  -7.947
   58   HG22  THR   7          HG22      THR   7   3.302   4.636  -7.833
   59   HG23  THR   7          HG23      THR   7   3.348   3.797  -9.384
   60    H    ASP   8           HN       ASP   8   0.221   7.011  -7.837
   61    HA   ASP   8           HA       ASP   8   2.251   8.288  -6.384
   62    HB2  ASP   8           HB2      ASP   8   1.010   9.395  -8.166
   63    HB3  ASP   8           HB1      ASP   8  -0.480   9.258  -7.258
   64    H    ASP   9           HN       ASP   9  -1.124   7.695  -5.525
   65    HA   ASP   9           HA       ASP   9  -0.982   8.852  -2.917
   66    HB2  ASP   9           HB2      ASP   9  -2.943   6.789  -3.921
   67    HB3  ASP   9           HB1      ASP   9  -3.103   7.711  -2.438
   68    H    LEU  10           HN       LEU  10  -0.626   5.579  -4.129
   69    HA   LEU  10           HA       LEU  10  -0.611   4.276  -1.626
   70    HB2  LEU  10           HB2      LEU  10  -0.953   3.261  -3.937
   71    HB3  LEU  10           HB1      LEU  10   0.789   3.326  -4.114
   72    HG   LEU  10           HG       LEU  10   0.966   1.904  -2.062
   73   HD11  LEU  10          HD11      LEU  10  -1.044   0.668  -1.378
   74   HD12  LEU  10          HD12      LEU  10  -2.008   1.660  -2.474
   75   HD13  LEU  10          HD13      LEU  10  -1.197   2.403  -1.097
   76   HD21  LEU  10          HD21      LEU  10  -0.562   0.735  -4.396
   77   HD22  LEU  10          HD22      LEU  10   0.390  -0.174  -3.225
   78   HD23  LEU  10          HD23      LEU  10   1.184   0.962  -4.314
   79    H    ARG  11           HN       ARG  11   1.949   5.414  -3.770
   80    HA   ARG  11           HA       ARG  11   4.216   4.620  -2.394
   81    HB2  ARG  11           HB2      ARG  11   4.177   5.685  -4.625
   82    HB3  ARG  11           HB1      ARG  11   3.782   7.218  -3.869
   83    HG2  ARG  11           HG2      ARG  11   5.943   7.113  -2.657
   84    HG3  ARG  11           HG1      ARG  11   6.332   5.650  -3.568
   85    HD2  ARG  11           HD2      ARG  11   7.346   7.537  -4.655
   86    HD3  ARG  11           HD1      ARG  11   6.031   6.931  -5.663
   87    HE   ARG  11           HE       ARG  11   5.844   9.260  -3.905
   88   HH11  ARG  11          HH11      ARG  11   5.094   7.663  -7.026
   89   HH12  ARG  11          HH12      ARG  11   4.127   8.924  -7.597
   90   HH21  ARG  11          HH21      ARG  11   4.478  10.983  -4.694
   91   HH22  ARG  11          HH22      ARG  11   3.668  10.829  -6.190
   92    H    ARG  12           HN       ARG  12   2.280   7.530  -2.050
   93    HA   ARG  12           HA       ARG  12   3.729   8.850  -0.091
   94    HB2  ARG  12           HB2      ARG  12   0.800   8.852  -0.707
   95    HB3  ARG  12           HB1      ARG  12   1.503   9.884   0.530
   96    HG2  ARG  12           HG2      ARG  12   2.918  10.904  -1.070
   97    HG3  ARG  12           HG1      ARG  12   2.279   9.885  -2.381
   98    HD2  ARG  12           HD2      ARG  12   1.203  12.050  -2.452
   99    HD3  ARG  12           HD1      ARG  12   0.035  10.848  -1.904
  100    HE   ARG  12           HE       ARG  12   1.169  11.859   0.375
  101   HH11  ARG  12          HH11      ARG  12  -0.738  13.215  -2.311
  102   HH12  ARG  12          HH12      ARG  12  -1.418  14.458  -1.371
  103   HH21  ARG  12          HH21      ARG  12   0.320  13.614   1.620
  104   HH22  ARG  12          HH22      ARG  12  -0.765  14.730   0.926
  105    H    ALA  13           HN       ALA  13   1.201   6.425   0.274
  106    HA   ALA  13           HA       ALA  13   0.945   6.549   3.091
  107    HB1  ALA  13           HB1      ALA  13  -0.683   5.434   1.615
  108    HB2  ALA  13           HB2      ALA  13  -0.105   4.369   2.897
  109    HB3  ALA  13           HB3      ALA  13   0.520   4.194   1.257
  110    H    LEU  14           HN       LEU  14   2.984   4.522   1.007
  111    HA   LEU  14           HA       LEU  14   4.166   3.186   3.196
  112    HB2  LEU  14           HB2      LEU  14   5.001   3.414   0.330
  113    HB3  LEU  14           HB1      LEU  14   6.098   2.725   1.502
  114    HG   LEU  14           HG       LEU  14   4.291   1.042   2.044
  115   HD11  LEU  14          HD11      LEU  14   2.379   2.185   1.157
  116   HD12  LEU  14          HD12      LEU  14   2.589   0.613   0.393
  117   HD13  LEU  14          HD13      LEU  14   3.041   2.086  -0.478
  118   HD21  LEU  14          HD21      LEU  14   4.789  -0.352   0.090
  119   HD22  LEU  14          HD22      LEU  14   6.220   0.457   0.729
  120   HD23  LEU  14          HD23      LEU  14   5.444   1.064  -0.734
  121    H    VAL  15           HN       VAL  15   4.957   6.204   1.666
  122    HA   VAL  15           HA       VAL  15   7.473   6.423   3.011
  123    HB   VAL  15           HB       VAL  15   5.775   8.698   1.896
  124   HG11  VAL  15          HG11      VAL  15   7.868   9.977   1.830
  125   HG12  VAL  15          HG12      VAL  15   8.729   8.622   2.551
  126   HG13  VAL  15          HG13      VAL  15   7.492   9.470   3.478
  127   HG21  VAL  15          HG21      VAL  15   6.325   7.084   0.156
  128   HG22  VAL  15          HG22      VAL  15   8.030   7.172   0.599
  129   HG23  VAL  15          HG23      VAL  15   7.221   8.585  -0.077
  130    H    GLU  16           HN       GLU  16   4.168   7.293   3.747
  131    HA   GLU  16           HA       GLU  16   4.743   8.764   6.088
  132    HB2  GLU  16           HB2      GLU  16   2.211   7.280   5.349
  133    HB3  GLU  16           HB1      GLU  16   2.357   8.435   6.668
  134    HG2  GLU  16           HG2      GLU  16   2.964  10.198   4.953
  135    HG3  GLU  16           HG1      GLU  16   2.690   8.977   3.742
  136    H    SER  17           HN       SER  17   4.098   5.308   5.560
  137    HA   SER  17           HA       SER  17   4.119   4.734   8.333
  138    HB2  SER  17           HB2      SER  17   4.179   2.336   7.372
  139    HB3  SER  17           HB1      SER  17   2.751   3.343   7.111
  140    HG   SER  17           HG       SER  17   4.478   2.306   5.305
  141    H    ALA  18           HN       ALA  18   6.514   4.322   5.743
  142    HA   ALA  18           HA       ALA  18   8.356   3.025   7.547
  143    HB1  ALA  18           HB1      ALA  18   8.372   2.497   5.150
  144    HB2  ALA  18           HB2      ALA  18   9.941   3.086   5.701
  145    HB3  ALA  18           HB3      ALA  18   8.869   4.153   4.795
  146    H    GLY  19           HN       GLY  19   7.889   6.222   6.222
  147    HA2  GLY  19           HA2      GLY  19   8.584   8.202   7.172
  148    HA3  GLY  19           HA1      GLY  19   9.711   7.303   8.192
  149    H    GLU  20           HN       GLU  20  10.840   9.377   7.104
  150    HA   GLU  20           HA       GLU  20  11.987   8.514   4.617
  151    HB2  GLU  20           HB2      GLU  20  13.274  10.694   4.672
  152    HB3  GLU  20           HB1      GLU  20  11.534  10.854   4.582
  153    HG2  GLU  20           HG2      GLU  20  13.090  11.126   7.145
  154    HG3  GLU  20           HG1      GLU  20  12.731  12.478   6.076
  155    H    THR  21           HN       THR  21  12.938   6.695   5.281
  156    HA   THR  21           HA       THR  21  15.017   6.720   7.233
  157    HB   THR  21           HB       THR  21  15.340   4.346   6.420
  158    HG1  THR  21           HG1      THR  21  13.783   3.555   4.940
  159   HG21  THR  21          HG21      THR  21  12.501   5.153   7.088
  160   HG22  THR  21          HG22      THR  21  13.790   4.862   8.255
  161   HG23  THR  21          HG23      THR  21  13.177   3.535   7.266
  162    H    ASP  22           HN       ASP  22  15.592   5.112   4.280
  163    HA   ASP  22           HA       ASP  22  18.056   6.617   3.785
  164    HB2  ASP  22           HB2      ASP  22  16.829   4.393   2.121
  165    HB3  ASP  22           HB1      ASP  22  18.447   5.041   1.960
  166    H    GLY  23           HN       GLY  23  14.832   6.654   3.015
  167    HA2  GLY  23           HA2      GLY  23  13.729   8.306   1.734
  168    HA3  GLY  23           HA1      GLY  23  15.196   8.501   0.756
  169    H    THR  24           HN       THR  24  15.499   5.558   0.728
  170    HA   THR  24           HA       THR  24  15.275   3.902  -0.622
  171    HB   THR  24           HB       THR  24  13.004   2.944  -0.933
  172    HG1  THR  24           HG1      THR  24  12.268   5.476  -0.174
  173   HG21  THR  24          HG21      THR  24  12.588   2.512   1.456
  174   HG22  THR  24          HG22      THR  24  13.659   3.851   1.869
  175   HG23  THR  24          HG23      THR  24  14.306   2.425   1.061
  176    H    ASP  25           HN       ASP  25  13.902   3.069  -2.702
  177    HA   ASP  25           HA       ASP  25  13.690   5.390  -4.466
  178    HB2  ASP  25           HB2      ASP  25  15.628   3.975  -5.144
  179    HB3  ASP  25           HB1      ASP  25  14.545   2.596  -5.301
  180    H    LEU  26           HN       LEU  26  11.684   5.422  -3.527
  181    HA   LEU  26           HA       LEU  26   9.770   3.371  -4.403
  182    HB2  LEU  26           HB2      LEU  26  10.142   4.144  -1.954
  183    HB3  LEU  26           HB1      LEU  26   9.351   5.617  -2.455
  184    HG   LEU  26           HG       LEU  26   7.355   4.240  -3.083
  185   HD11  LEU  26          HD11      LEU  26   8.513   2.120  -3.373
  186   HD12  LEU  26          HD12      LEU  26   7.229   1.981  -2.172
  187   HD13  LEU  26          HD13      LEU  26   8.913   2.091  -1.656
  188   HD21  LEU  26          HD21      LEU  26   6.628   3.917  -0.773
  189   HD22  LEU  26          HD22      LEU  26   7.474   5.451  -0.972
  190   HD23  LEU  26          HD23      LEU  26   8.294   4.082  -0.221
  191    H    SER  27           HN       SER  27  10.988   6.478  -4.891
  192    HA   SER  27           HA       SER  27   8.937   8.111  -5.576
  193    HB2  SER  27           HB2      SER  27  10.724   9.169  -7.051
  194    HB3  SER  27           HB1      SER  27  11.080   9.001  -5.330
  195    HG   SER  27           HG       SER  27  11.905   7.218  -7.385
  196    H    GLY  28           HN       GLY  28   7.577   8.264  -7.164
  197    HA2  GLY  28           HA2      GLY  28   6.805   8.208  -9.344
  198    HA3  GLY  28           HA1      GLY  28   8.172   7.190  -9.787
  199    H    ASP  29           HN       ASP  29   7.770   5.178 -10.147
  200    HA   ASP  29           HA       ASP  29   5.178   4.063  -9.313
  201    HB2  ASP  29           HB2      ASP  29   6.845   3.449 -11.776
  202    HB3  ASP  29           HB1      ASP  29   5.347   2.646 -11.337
  203    H    PHE  30           HN       PHE  30   5.343   2.330  -8.021
  204    HA   PHE  30           HA       PHE  30   7.914   0.946  -8.050
  205    HB2  PHE  30           HB2      PHE  30   7.975   0.810  -5.646
  206    HB3  PHE  30           HB1      PHE  30   7.747   2.489  -6.104
  207    HD1  PHE  30           HD1      PHE  30   5.319   3.356  -6.083
  208    HD2  PHE  30           HD2      PHE  30   6.578  -0.158  -4.043
  209    HE1  PHE  30           HE1      PHE  30   3.364   3.529  -4.635
  210    HE2  PHE  30           HE2      PHE  30   4.612   0.005  -2.568
  211    HZ   PHE  30           HZ       PHE  30   3.051   1.725  -2.782
  212    H    LEU  31           HN       LEU  31   5.037   0.464  -9.016
  213    HA   LEU  31           HA       LEU  31   3.782  -1.520  -7.521
  214    HB2  LEU  31           HB2      LEU  31   3.634  -1.100 -10.485
  215    HB3  LEU  31           HB1      LEU  31   2.585  -2.168  -9.579
  216    HG   LEU  31           HG       LEU  31   2.704   0.836  -9.461
  217   HD11  LEU  31          HD11      LEU  31   0.549  -1.119 -10.152
  218   HD12  LEU  31          HD12      LEU  31   1.478  -0.162 -11.306
  219   HD13  LEU  31          HD13      LEU  31   0.380   0.640 -10.166
  220   HD21  LEU  31          HD21      LEU  31   2.435  -0.020  -7.180
  221   HD22  LEU  31          HD22      LEU  31   1.102  -1.041  -7.718
  222   HD23  LEU  31          HD23      LEU  31   0.939   0.715  -7.761
  223    H    ASP  32           HN       ASP  32   6.453  -1.899  -9.712
  224    HA   ASP  32           HA       ASP  32   6.169  -4.812  -9.495
  225    HB2  ASP  32           HB2      ASP  32   7.812  -5.064 -11.247
  226    HB3  ASP  32           HB1      ASP  32   6.599  -3.902 -11.763
  227    H    LEU  33           HN       LEU  33   7.637  -2.430  -7.801
  228    HA   LEU  33           HA       LEU  33  10.056  -3.884  -7.167
  229    HB2  LEU  33           HB2      LEU  33   8.905  -1.261  -6.220
  230    HB3  LEU  33           HB1      LEU  33  10.259  -2.010  -5.401
  231    HG   LEU  33           HG       LEU  33  11.612  -1.818  -7.455
  232   HD11  LEU  33          HD11      LEU  33  10.853  -0.451  -9.335
  233   HD12  LEU  33          HD12      LEU  33   9.234  -0.393  -8.631
  234   HD13  LEU  33          HD13      LEU  33   9.912  -1.927  -9.160
  235   HD21  LEU  33          HD21      LEU  33  11.706  -0.059  -5.810
  236   HD22  LEU  33          HD22      LEU  33  10.343   0.758  -6.580
  237   HD23  LEU  33          HD23      LEU  33  11.876   0.603  -7.434
  238    H    ARG  34           HN       ARG  34  10.252  -5.265  -5.600
  239    HA   ARG  34           HA       ARG  34   7.820  -6.147  -4.347
  240    HB2  ARG  34           HB2      ARG  34  10.642  -7.136  -4.021
  241    HB3  ARG  34           HB1      ARG  34   9.200  -7.938  -3.419
  242    HG2  ARG  34           HG2      ARG  34   8.410  -8.179  -5.756
  243    HG3  ARG  34           HG1      ARG  34   9.939  -7.476  -6.298
  244    HD2  ARG  34           HD2      ARG  34   9.989  -9.925  -6.368
  245    HD3  ARG  34           HD1      ARG  34  11.167  -9.281  -5.212
  246    HE   ARG  34           HE       ARG  34   8.518 -10.285  -4.456
  247   HH11  ARG  34          HH11      ARG  34  12.060 -10.334  -3.946
  248   HH12  ARG  34          HH12      ARG  34  11.932 -11.057  -2.404
  249   HH21  ARG  34          HH21      ARG  34   8.404 -11.208  -2.392
  250   HH22  ARG  34          HH22      ARG  34   9.793 -11.532  -1.442
  251    H    PHE  35           HN       PHE  35   7.332  -6.183  -2.173
  252    HA   PHE  35           HA       PHE  35   8.183  -3.909  -0.740
  253    HB2  PHE  35           HB2      PHE  35   6.673  -6.291   0.380
  254    HB3  PHE  35           HB1      PHE  35   6.842  -4.692   1.100
  255    HD1  PHE  35           HD1      PHE  35   5.874  -2.704  -0.133
  256    HD2  PHE  35           HD2      PHE  35   4.914  -6.742  -1.026
  257    HE1  PHE  35           HE1      PHE  35   3.782  -1.972  -1.207
  258    HE2  PHE  35           HE2      PHE  35   2.837  -6.021  -2.097
  259    HZ   PHE  35           HZ       PHE  35   2.263  -3.663  -2.196
  260    H    GLU  36           HN       GLU  36   8.953  -7.358  -0.368
  261    HA   GLU  36           HA       GLU  36  10.535  -7.112   1.936
  262    HB2  GLU  36           HB2      GLU  36  10.932  -9.066  -0.329
  263    HB3  GLU  36           HB1      GLU  36  11.678  -9.185   1.254
  264    HG2  GLU  36           HG2      GLU  36   9.361  -9.324   2.211
  265    HG3  GLU  36           HG1      GLU  36   8.778  -9.472   0.551
  266    H    ASP  37           HN       ASP  37  11.214  -6.180  -1.285
  267    HA   ASP  37           HA       ASP  37  14.088  -6.191  -0.963
  268    HB2  ASP  37           HB2      ASP  37  12.942  -6.676  -3.133
  269    HB3  ASP  37           HB1      ASP  37  12.445  -4.989  -3.185
  270    H    ILE  38           HN       ILE  38  11.440  -3.946  -0.725
  271    HA   ILE  38           HA       ILE  38  13.275  -1.690  -0.667
  272    HB   ILE  38           HB       ILE  38  11.284  -0.224  -0.604
  273   HG12  ILE  38          HG12      ILE  38   9.706  -2.810  -0.763
  274   HG13  ILE  38          HG11      ILE  38   9.772  -1.743   0.629
  275   HG21  ILE  38          HG21      ILE  38  10.469  -0.697  -2.860
  276   HG22  ILE  38          HG22      ILE  38  11.198  -2.299  -2.798
  277   HG23  ILE  38          HG23      ILE  38  12.222  -0.861  -2.756
  278   HD11  ILE  38          HD11      ILE  38   8.683   0.016  -0.680
  279   HD12  ILE  38          HD12      ILE  38   7.704  -1.452  -0.604
  280   HD13  ILE  38          HD13      ILE  38   8.611  -1.071  -2.067
  281    H    GLY  39           HN       GLY  39  12.979  -3.736   1.494
  282    HA2  GLY  39           HA2      GLY  39  13.357  -3.671   3.777
  283    HA3  GLY  39           HA1      GLY  39  13.288  -1.917   3.688
  284    H    TYR  40           HN       TYR  40  10.744  -4.056   2.595
  285    HA   TYR  40           HA       TYR  40   9.128  -3.075   4.807
  286    HB2  TYR  40           HB2      TYR  40   8.609  -3.065   1.955
  287    HB3  TYR  40           HB1      TYR  40   7.328  -3.861   2.867
  288    HD1  TYR  40           HD2      TYR  40   9.377  -0.756   2.834
  289    HD2  TYR  40           HD1      TYR  40   5.707  -2.613   3.882
  290    HE1  TYR  40           HE2      TYR  40   8.488   1.414   3.539
  291    HE2  TYR  40           HE1      TYR  40   4.804  -0.451   4.592
  292    HH   TYR  40           HH       TYR  40   6.372   2.519   3.970
  293    H    ASP  41           HN       ASP  41   8.676  -4.486   6.184
  294    HA   ASP  41           HA       ASP  41   8.533  -7.326   5.600
  295    HB2  ASP  41           HB2      ASP  41   7.764  -5.797   8.084
  296    HB3  ASP  41           HB1      ASP  41   7.856  -7.529   7.939
  297    H    SER  42           HN       SER  42   6.562  -8.475   5.732
  298    HA   SER  42           HA       SER  42   4.300  -7.238   4.746
  299    HB2  SER  42           HB2      SER  42   3.123  -9.353   5.410
  300    HB3  SER  42           HB1      SER  42   4.619  -9.520   4.470
  301    HG   SER  42           HG       SER  42   5.713 -10.142   6.213
  302    H    LEU  43           HN       LEU  43   5.272  -7.681   8.078
  303    HA   LEU  43           HA       LEU  43   2.874  -6.925   9.347
  304    HB2  LEU  43           HB2      LEU  43   4.940  -7.941  10.394
  305    HB3  LEU  43           HB1      LEU  43   5.718  -6.391  10.254
  306    HG   LEU  43           HG       LEU  43   3.271  -6.894  11.973
  307   HD11  LEU  43          HD11      LEU  43   6.188  -6.855  12.708
  308   HD12  LEU  43          HD12      LEU  43   5.129  -8.267  12.705
  309   HD13  LEU  43          HD13      LEU  43   4.843  -6.949  13.842
  310   HD21  LEU  43          HD21      LEU  43   3.646  -4.518  11.390
  311   HD22  LEU  43          HD22      LEU  43   5.298  -4.640  11.992
  312   HD23  LEU  43          HD23      LEU  43   3.938  -4.821  13.104
  313    H    ALA  44           HN       ALA  44   5.699  -5.013   8.375
  314    HA   ALA  44           HA       ALA  44   4.703  -2.474   9.084
  315    HB1  ALA  44           HB1      ALA  44   6.447  -1.574   7.605
  316    HB2  ALA  44           HB2      ALA  44   6.691  -3.177   6.914
  317    HB3  ALA  44           HB3      ALA  44   7.081  -2.880   8.607
  318    H    LEU  45           HN       LEU  45   4.512  -4.365   6.164
  319    HA   LEU  45           HA       LEU  45   3.206  -2.550   4.486
  320    HB2  LEU  45           HB2      LEU  45   4.230  -4.575   3.667
  321    HB3  LEU  45           HB1      LEU  45   3.137  -5.560   4.610
  322    HG   LEU  45           HG       LEU  45   1.268  -4.853   3.190
  323   HD11  LEU  45          HD11      LEU  45   3.381  -3.391   1.629
  324   HD12  LEU  45          HD12      LEU  45   2.088  -2.645   2.574
  325   HD13  LEU  45          HD13      LEU  45   1.699  -3.607   1.141
  326   HD21  LEU  45          HD21      LEU  45   1.966  -6.055   1.183
  327   HD22  LEU  45          HD22      LEU  45   2.528  -6.862   2.647
  328   HD23  LEU  45          HD23      LEU  45   3.652  -5.907   1.679
  329    H    MET  46           HN       MET  46   1.887  -5.041   6.665
  330    HA   MET  46           HA       MET  46  -0.794  -4.419   6.176
  331    HB2  MET  46           HB2      MET  46   0.413  -5.702   8.641
  332    HB3  MET  46           HB1      MET  46  -1.314  -5.526   8.330
  333    HG2  MET  46           HG2      MET  46  -1.098  -6.902   6.324
  334    HG3  MET  46           HG1      MET  46   0.625  -7.087   6.643
  335    HE1  MET  46           HE1      MET  46   0.628  -9.220   9.939
  336    HE2  MET  46           HE2      MET  46   0.710  -7.463   9.809
  337    HE3  MET  46           HE3      MET  46   1.619  -8.473   8.685
  338    H    GLU  47           HN       GLU  47   1.479  -3.054   8.518
  339    HA   GLU  47           HA       GLU  47  -0.394  -1.414   9.871
  340    HB2  GLU  47           HB2      GLU  47   1.910  -1.736  10.696
  341    HB3  GLU  47           HB1      GLU  47   2.526  -0.819   9.325
  342    HG2  GLU  47           HG2      GLU  47   1.151   1.121  10.125
  343    HG3  GLU  47           HG1      GLU  47   0.814   0.192  11.583
  344    H    THR  48           HN       THR  48   1.259  -1.074   6.921
  345    HA   THR  48           HA       THR  48   0.830   1.712   6.411
  346    HB   THR  48           HB       THR  48   1.285  -0.550   4.423
  347    HG1  THR  48           HG1      THR  48   2.966  -0.297   6.083
  348   HG21  THR  48          HG21      THR  48   0.486   1.529   3.385
  349   HG22  THR  48          HG22      THR  48   2.173   1.222   2.969
  350   HG23  THR  48          HG23      THR  48   1.773   2.428   4.191
  351    H    ALA  49           HN       ALA  49  -0.586  -1.264   5.201
  352    HA   ALA  49           HA       ALA  49  -2.843  -0.287   3.912
  353    HB1  ALA  49           HB1      ALA  49  -2.459  -2.884   5.409
  354    HB2  ALA  49           HB2      ALA  49  -2.020  -2.587   3.727
  355    HB3  ALA  49           HB3      ALA  49  -3.714  -2.566   4.212
  356    H    ALA  50           HN       ALA  50  -2.296  -1.113   7.299
  357    HA   ALA  50           HA       ALA  50  -4.794  -0.890   8.238
  358    HB1  ALA  50           HB1      ALA  50  -2.260  -0.212   9.696
  359    HB2  ALA  50           HB2      ALA  50  -2.992  -1.810   9.535
  360    HB3  ALA  50           HB3      ALA  50  -3.817  -0.551  10.453
  361    H    ARG  51           HN       ARG  51  -2.312   1.582   7.939
  362    HA   ARG  51           HA       ARG  51  -3.687   3.780   9.059
  363    HB2  ARG  51           HB2      ARG  51  -1.623   3.803   6.834
  364    HB3  ARG  51           HB1      ARG  51  -2.094   5.185   7.808
  365    HG2  ARG  51           HG2      ARG  51  -1.167   4.115   9.792
  366    HG3  ARG  51           HG1      ARG  51  -0.724   2.704   8.828
  367    HD2  ARG  51           HD2      ARG  51   0.727   4.145   7.443
  368    HD3  ARG  51           HD1      ARG  51   0.310   5.514   8.452
  369    HE   ARG  51           HE       ARG  51   1.624   3.137   9.610
  370   HH11  ARG  51          HH11      ARG  51   1.423   6.642   9.270
  371   HH12  ARG  51          HH12      ARG  51   2.889   6.982  10.057
  372   HH21  ARG  51          HH21      ARG  51   3.589   3.530  10.758
  373   HH22  ARG  51          HH22      ARG  51   4.198   5.129  10.953
  374    H    LEU  52           HN       LEU  52  -3.532   2.425   5.844
  375    HA   LEU  52           HA       LEU  52  -5.099   4.344   4.538
  376    HB2  LEU  52           HB2      LEU  52  -4.483   1.474   3.903
  377    HB3  LEU  52           HB1      LEU  52  -5.329   2.538   2.804
  378    HG   LEU  52           HG       LEU  52  -2.529   3.011   3.831
  379   HD11  LEU  52          HD11      LEU  52  -2.617   1.066   2.374
  380   HD12  LEU  52          HD12      LEU  52  -1.802   2.414   1.583
  381   HD13  LEU  52          HD13      LEU  52  -3.463   2.008   1.150
  382   HD21  LEU  52          HD21      LEU  52  -3.722   5.066   3.269
  383   HD22  LEU  52          HD22      LEU  52  -4.127   4.404   1.685
  384   HD23  LEU  52          HD23      LEU  52  -2.447   4.735   2.095
  385    H    GLU  53           HN       GLU  53  -5.918   1.256   6.111
  386    HA   GLU  53           HA       GLU  53  -8.647   1.124   5.561
  387    HB2  GLU  53           HB2      GLU  53  -7.311   0.456   8.200
  388    HB3  GLU  53           HB1      GLU  53  -8.939   0.017   7.763
  389    HG2  GLU  53           HG2      GLU  53  -7.965  -1.389   5.938
  390    HG3  GLU  53           HG1      GLU  53  -6.373  -1.034   6.617
  391    H    SER  54           HN       SER  54  -7.012   2.571   8.299
  392    HA   SER  54           HA       SER  54  -9.271   3.677   9.514
  393    HB2  SER  54           HB2      SER  54  -6.391   4.552   9.734
  394    HB3  SER  54           HB1      SER  54  -7.681   4.889  10.894
  395    HG   SER  54           HG       SER  54  -7.799   2.340  10.593
  396    H    ARG  55           HN       ARG  55  -6.837   5.266   7.414
  397    HA   ARG  55           HA       ARG  55  -8.041   7.795   7.632
  398    HB2  ARG  55           HB2      ARG  55  -5.663   7.539   7.061
  399    HB3  ARG  55           HB1      ARG  55  -6.099   6.831   5.514
  400    HG2  ARG  55           HG2      ARG  55  -6.947   8.871   4.698
  401    HG3  ARG  55           HG1      ARG  55  -6.969   9.594   6.301
  402    HD2  ARG  55           HD2      ARG  55  -5.146  10.536   5.102
  403    HD3  ARG  55           HD1      ARG  55  -4.468   9.458   6.318
  404    HE   ARG  55           HE       ARG  55  -4.775   8.498   3.580
  405   HH11  ARG  55          HH11      ARG  55  -2.630   9.297   6.272
  406   HH12  ARG  55          HH12      ARG  55  -1.187   9.270   5.350
  407   HH21  ARG  55          HH21      ARG  55  -2.631   8.349   2.271
  408   HH22  ARG  55          HH22      ARG  55  -1.215   8.724   3.169
  409    H    TYR  56           HN       TYR  56  -8.541   5.229   5.268
  410    HA   TYR  56           HA       TYR  56 -10.275   7.067   3.823
  411    HB2  TYR  56           HB2      TYR  56  -9.022   4.479   2.946
  412    HB3  TYR  56           HB1      TYR  56 -10.216   5.347   1.987
  413    HD1  TYR  56           HD2      TYR  56  -6.800   5.508   3.377
  414    HD2  TYR  56           HD1      TYR  56  -9.641   7.343   0.803
  415    HE1  TYR  56           HE2      TYR  56  -5.036   6.968   2.475
  416    HE2  TYR  56           HE1      TYR  56  -7.884   8.801  -0.107
  417    HH   TYR  56           HH       TYR  56  -4.563   8.274   0.483
  418    H    GLY  57           HN       GLY  57 -10.761   5.043   6.264
  419    HA2  GLY  57           HA2      GLY  57 -12.664   4.115   7.146
  420    HA3  GLY  57           HA1      GLY  57 -13.565   5.018   5.931
  421    H    VAL  58           HN       VAL  58 -11.249   2.375   5.843
  422    HA   VAL  58           HA       VAL  58 -13.186   0.701   4.475
  423    HB   VAL  58           HB       VAL  58 -11.844   2.031   2.782
  424   HG11  VAL  58          HG11      VAL  58  -9.737   2.167   3.856
  425   HG12  VAL  58          HG12      VAL  58  -9.542   1.384   2.287
  426   HG13  VAL  58          HG13      VAL  58  -9.521   0.420   3.766
  427   HG21  VAL  58          HG21      VAL  58 -11.534  -0.962   2.648
  428   HG22  VAL  58          HG22      VAL  58 -11.357   0.142   1.284
  429   HG23  VAL  58          HG23      VAL  58 -12.917  -0.021   2.092
  430    H    SER  59           HN       SER  59 -11.924  -1.618   4.189
  431    HA   SER  59           HA       SER  59  -9.988  -1.912   6.317
  432    HB2  SER  59           HB2      SER  59 -12.301  -2.410   7.229
  433    HB3  SER  59           HB1      SER  59 -12.393  -3.747   6.084
  434    HG   SER  59           HG       SER  59 -10.121  -3.619   7.689
  435    H    ILE  60           HN       ILE  60  -8.772  -3.901   6.110
  436    HA   ILE  60           HA       ILE  60  -8.797  -5.093   3.410
  437    HB   ILE  60           HB       ILE  60  -6.363  -4.053   4.904
  438   HG12  ILE  60          HG12      ILE  60  -7.551  -3.031   2.313
  439   HG13  ILE  60          HG11      ILE  60  -7.843  -2.297   3.881
  440   HG21  ILE  60          HG21      ILE  60  -5.101  -4.653   2.878
  441   HG22  ILE  60          HG22      ILE  60  -6.566  -5.329   2.167
  442   HG23  ILE  60          HG23      ILE  60  -5.865  -6.073   3.597
  443   HD11  ILE  60          HD11      ILE  60  -6.142  -1.110   2.622
  444   HD12  ILE  60          HD12      ILE  60  -5.168  -2.585   2.551
  445   HD13  ILE  60          HD13      ILE  60  -5.485  -1.812   4.103
  446    HA   PRO  61           HA       PRO  61  -8.659  -8.771   6.015
  447    HB2  PRO  61           HB2      PRO  61  -7.884 -10.458   3.927
  448    HB3  PRO  61           HB1      PRO  61  -9.547 -10.081   4.375
  449    HG2  PRO  61           HG2      PRO  61  -7.874  -8.965   2.189
  450    HG3  PRO  61           HG1      PRO  61  -9.618  -9.260   2.235
  451    HD2  PRO  61           HD2      PRO  61  -8.528  -6.809   2.459
  452    HD3  PRO  61           HD1      PRO  61 -10.051  -7.251   3.261
  453    H    ASP  62           HN       ASP  62  -7.088  -9.374   7.279
  454    HA   ASP  62           HA       ASP  62  -4.517  -8.383   7.188
  455    HB2  ASP  62           HB2      ASP  62  -5.596 -10.685   8.802
  456    HB3  ASP  62           HB1      ASP  62  -3.986  -9.978   8.979
  457    H    ASP  63           HN       ASP  63  -5.501 -11.705   6.354
  458    HA   ASP  63           HA       ASP  63  -2.775 -12.472   5.984
  459    HB2  ASP  63           HB2      ASP  63  -4.418 -14.194   6.534
  460    HB3  ASP  63           HB1      ASP  63  -5.286 -13.873   5.033
  461    H    VAL  64           HN       VAL  64  -5.267 -11.238   3.957
  462    HA   VAL  64           HA       VAL  64  -3.973 -11.843   1.473
  463    HB   VAL  64           HB       VAL  64  -6.096  -9.717   2.000
  464   HG11  VAL  64          HG11      VAL  64  -5.324 -11.154  -0.539
  465   HG12  VAL  64          HG12      VAL  64  -4.994  -9.464  -0.153
  466   HG13  VAL  64          HG13      VAL  64  -6.658 -10.012  -0.365
  467   HG21  VAL  64          HG21      VAL  64  -7.733 -11.421   1.327
  468   HG22  VAL  64          HG22      VAL  64  -6.859 -11.899   2.783
  469   HG23  VAL  64          HG23      VAL  64  -6.441 -12.618   1.230
  470    H    ALA  65           HN       ALA  65  -4.088  -9.138   3.673
  471    HA   ALA  65           HA       ALA  65  -2.597  -7.249   2.277
  472    HB1  ALA  65           HB1      ALA  65  -2.709  -7.772   5.253
  473    HB2  ALA  65           HB2      ALA  65  -3.811  -6.746   4.339
  474    HB3  ALA  65           HB3      ALA  65  -2.114  -6.291   4.501
  475    H    GLY  66           HN       GLY  66  -1.616 -10.179   3.840
  476    HA2  GLY  66           HA2      GLY  66   1.216  -9.448   3.620
  477    HA3  GLY  66           HA1      GLY  66   0.576 -10.833   4.492
  478    H    ARG  67           HN       ARG  67  -1.028 -10.717   1.599
  479    HA   ARG  67           HA       ARG  67   0.733 -12.795   0.479
  480    HB2  ARG  67           HB2      ARG  67  -2.103 -12.052  -0.270
  481    HB3  ARG  67           HB1      ARG  67  -1.174 -13.339  -1.020
  482    HG2  ARG  67           HG2      ARG  67  -1.972 -13.216   1.872
  483    HG3  ARG  67           HG1      ARG  67  -2.774 -14.164   0.620
  484    HD2  ARG  67           HD2      ARG  67  -0.852 -15.535   0.323
  485    HD3  ARG  67           HD1      ARG  67   0.131 -14.479   1.338
  486    HE   ARG  67           HE       ARG  67  -2.033 -15.334   2.838
  487   HH11  ARG  67          HH11      ARG  67   0.593 -16.973   1.177
  488   HH12  ARG  67          HH12      ARG  67   0.984 -18.026   2.472
  489   HH21  ARG  67          HH21      ARG  67  -1.546 -16.696   4.605
  490   HH22  ARG  67          HH22      ARG  67  -0.287 -17.848   4.547
  491    H    VAL  68           HN       VAL  68  -0.142  -9.596   0.057
  492    HA   VAL  68           HA       VAL  68   0.348  -9.503  -2.748
  493    HB   VAL  68           HB       VAL  68   0.197  -7.004  -2.431
  494   HG11  VAL  68          HG11      VAL  68  -1.787  -8.339  -2.914
  495   HG12  VAL  68          HG12      VAL  68  -2.188  -7.008  -1.825
  496   HG13  VAL  68          HG13      VAL  68  -2.015  -8.645  -1.192
  497   HG21  VAL  68          HG21      VAL  68  -0.534  -6.139  -0.265
  498   HG22  VAL  68          HG22      VAL  68   1.065  -6.879  -0.130
  499   HG23  VAL  68          HG23      VAL  68  -0.365  -7.745   0.442
  500    H    ASP  69           HN       ASP  69   2.236  -9.751  -3.564
  501    HA   ASP  69           HA       ASP  69   4.659  -9.208  -1.979
  502    HB2  ASP  69           HB2      ASP  69   4.362 -11.450  -3.093
  503    HB3  ASP  69           HB1      ASP  69   4.386 -10.613  -4.636
  504    H    THR  70           HN       THR  70   2.894  -8.300  -4.724
  505    HA   THR  70           HA       THR  70   4.876  -6.235  -5.186
  506    HB   THR  70           HB       THR  70   4.067  -6.247  -7.584
  507    HG1  THR  70           HG1      THR  70   2.667  -8.504  -6.559
  508   HG21  THR  70          HG21      THR  70   5.398  -8.271  -8.158
  509   HG22  THR  70          HG22      THR  70   5.347  -8.723  -6.442
  510   HG23  THR  70          HG23      THR  70   6.175  -7.254  -6.939
  511    HA   PRO  71           HA       PRO  71   1.949  -3.231  -3.924
  512    HB2  PRO  71           HB2      PRO  71   3.142  -1.709  -6.183
  513    HB3  PRO  71           HB1      PRO  71   2.865  -1.213  -4.506
  514    HG2  PRO  71           HG2      PRO  71   5.291  -1.885  -5.268
  515    HG3  PRO  71           HG1      PRO  71   4.667  -2.443  -3.705
  516    HD2  PRO  71           HD2      PRO  71   4.985  -3.937  -6.265
  517    HD3  PRO  71           HD1      PRO  71   5.256  -4.486  -4.598
  518    H    ARG  72           HN       ARG  72   2.183  -4.007  -7.337
  519    HA   ARG  72           HA       ARG  72  -0.119  -2.802  -8.298
  520    HB2  ARG  72           HB2      ARG  72  -0.191  -4.534 -10.029
  521    HB3  ARG  72           HB1      ARG  72   1.463  -4.011  -9.747
  522    HG2  ARG  72           HG2      ARG  72   1.884  -6.007  -8.421
  523    HG3  ARG  72           HG1      ARG  72   0.216  -6.524  -8.654
  524    HD2  ARG  72           HD2      ARG  72   1.617  -7.732 -10.165
  525    HD3  ARG  72           HD1      ARG  72   0.643  -6.588 -11.085
  526    HE   ARG  72           HE       ARG  72   2.567  -5.186 -11.294
  527   HH11  ARG  72          HH11      ARG  72   3.272  -8.419 -10.000
  528   HH12  ARG  72          HH12      ARG  72   4.830  -8.509 -10.663
  529   HH21  ARG  72          HH21      ARG  72   4.735  -5.282 -12.169
  530   HH22  ARG  72          HH22      ARG  72   5.705  -6.647 -11.876
  531    H    GLU  73           HN       GLU  73   0.188  -5.887  -6.594
  532    HA   GLU  73           HA       GLU  73  -2.492  -6.764  -6.797
  533    HB2  GLU  73           HB2      GLU  73  -0.410  -7.463  -4.726
  534    HB3  GLU  73           HB1      GLU  73  -1.833  -8.403  -5.145
  535    HG2  GLU  73           HG2      GLU  73  -0.935  -8.908  -7.305
  536    HG3  GLU  73           HG1      GLU  73   0.423  -7.817  -7.038
  537    H    LEU  74           HN       LEU  74  -0.605  -5.112  -4.368
  538    HA   LEU  74           HA       LEU  74  -2.589  -5.072  -2.356
  539    HB2  LEU  74           HB2      LEU  74  -0.178  -4.923  -1.893
  540    HB3  LEU  74           HB1      LEU  74  -0.087  -3.401  -2.735
  541    HG   LEU  74           HG       LEU  74   0.038  -3.357  -0.181
  542   HD11  LEU  74          HD11      LEU  74  -2.011  -1.642  -1.514
  543   HD12  LEU  74          HD12      LEU  74  -0.271  -1.362  -1.460
  544   HD13  LEU  74          HD13      LEU  74  -1.222  -1.315   0.029
  545   HD21  LEU  74          HD21      LEU  74  -1.773  -4.922   0.305
  546   HD22  LEU  74          HD22      LEU  74  -2.929  -3.822  -0.448
  547   HD23  LEU  74          HD23      LEU  74  -2.091  -3.343   1.025
  548    H    LEU  75           HN       LEU  75  -1.534  -2.696  -4.743
  549    HA   LEU  75           HA       LEU  75  -3.216  -0.593  -4.076
  550    HB2  LEU  75           HB2      LEU  75  -1.349  -0.542  -5.727
  551    HB3  LEU  75           HB1      LEU  75  -2.344  -1.474  -6.828
  552    HG   LEU  75           HG       LEU  75  -3.955   0.394  -6.914
  553   HD11  LEU  75          HD11      LEU  75  -3.331   2.557  -5.995
  554   HD12  LEU  75          HD12      LEU  75  -1.889   1.849  -5.274
  555   HD13  LEU  75          HD13      LEU  75  -3.488   1.352  -4.718
  556   HD21  LEU  75          HD21      LEU  75  -2.552   1.887  -8.246
  557   HD22  LEU  75          HD22      LEU  75  -2.200   0.192  -8.593
  558   HD23  LEU  75          HD23      LEU  75  -1.108   1.131  -7.575
  559    H    ASP  76           HN       ASP  76  -3.680  -3.238  -6.368
  560    HA   ASP  76           HA       ASP  76  -6.242  -2.687  -7.322
  561    HB2  ASP  76           HB2      ASP  76  -4.830  -4.347  -8.356
  562    HB3  ASP  76           HB1      ASP  76  -4.863  -5.338  -6.905
  563    H    LEU  77           HN       LEU  77  -5.245  -4.626  -4.576
  564    HA   LEU  77           HA       LEU  77  -7.710  -5.637  -3.769
  565    HB2  LEU  77           HB2      LEU  77  -5.560  -6.455  -2.967
  566    HB3  LEU  77           HB1      LEU  77  -5.256  -4.928  -2.169
  567    HG   LEU  77           HG       LEU  77  -7.149  -5.384  -0.646
  568   HD11  LEU  77          HD11      LEU  77  -7.180  -8.086  -1.991
  569   HD12  LEU  77          HD12      LEU  77  -8.452  -6.866  -2.071
  570   HD13  LEU  77          HD13      LEU  77  -8.077  -7.648  -0.537
  571   HD21  LEU  77          HD21      LEU  77  -5.002  -7.493  -0.746
  572   HD22  LEU  77          HD22      LEU  77  -5.992  -7.101   0.659
  573   HD23  LEU  77          HD23      LEU  77  -4.874  -5.903   0.009
  574    H    ILE  78           HN       ILE  78  -5.954  -2.777  -2.651
  575    HA   ILE  78           HA       ILE  78  -8.022  -1.949  -0.898
  576    HB   ILE  78           HB       ILE  78  -5.781  -0.235  -2.026
  577   HG12  ILE  78          HG12      ILE  78  -5.864  -1.912   0.493
  578   HG13  ILE  78          HG11      ILE  78  -4.955  -2.311  -0.958
  579   HG21  ILE  78          HG21      ILE  78  -7.587   1.036  -0.941
  580   HG22  ILE  78          HG22      ILE  78  -6.117   1.082   0.032
  581   HG23  ILE  78          HG23      ILE  78  -7.447   0.018   0.494
  582   HD11  ILE  78          HD11      ILE  78  -3.624  -0.272  -0.652
  583   HD12  ILE  78          HD12      ILE  78  -3.493  -1.387   0.696
  584   HD13  ILE  78          HD13      ILE  78  -4.505   0.059   0.842
  585    H    ASN  79           HN       ASN  79  -7.130  -1.089  -4.207
  586    HA   ASN  79           HA       ASN  79  -8.898   1.047  -4.614
  587    HB2  ASN  79           HB2      ASN  79  -7.975  -1.024  -6.615
  588    HB3  ASN  79           HB1      ASN  79  -8.942   0.374  -7.049
  589   HD21  ASN  79          HD21      ASN  79  -7.432   2.013  -5.039
  590   HD22  ASN  79          HD22      ASN  79  -5.937   2.356  -5.853
  591    H    GLY  80           HN       GLY  80  -9.453  -2.413  -5.060
  592    HA2  GLY  80           HA2      GLY  80 -12.082  -2.252  -5.993
  593    HA3  GLY  80           HA1      GLY  80 -11.400  -3.619  -5.117
  594    H    ALA  81           HN       ALA  81 -10.823  -2.418  -2.729
  595    HA   ALA  81           HA       ALA  81 -13.354  -2.510  -1.469
  596    HB1  ALA  81           HB1      ALA  81 -10.668  -1.775  -0.318
  597    HB2  ALA  81           HB2      ALA  81 -11.325  -3.406  -0.438
  598    HB3  ALA  81           HB3      ALA  81 -12.109  -2.212   0.598
  599    H    LEU  82           HN       LEU  82 -11.111   0.123  -2.235
  600    HA   LEU  82           HA       LEU  82 -12.455   2.159  -0.827
  601    HB2  LEU  82           HB2      LEU  82 -10.633   2.216  -3.199
  602    HB3  LEU  82           HB1      LEU  82 -11.243   3.669  -2.458
  603    HG   LEU  82           HG       LEU  82  -9.459   1.610  -1.172
  604   HD11  LEU  82          HD11      LEU  82  -8.958   4.454  -2.028
  605   HD12  LEU  82          HD12      LEU  82  -8.351   3.005  -2.828
  606   HD13  LEU  82          HD13      LEU  82  -7.811   3.404  -1.196
  607   HD21  LEU  82          HD21      LEU  82  -9.353   3.162   0.710
  608   HD22  LEU  82          HD22      LEU  82 -10.994   2.572   0.455
  609   HD23  LEU  82          HD23      LEU  82 -10.551   4.197  -0.069
  610    H    ALA  83           HN       ALA  83 -12.810   0.872  -4.045
  611    HA   ALA  83           HA       ALA  83 -14.558   2.820  -5.075
  612    HB1  ALA  83           HB1      ALA  83 -13.359   1.205  -6.476
  613    HB2  ALA  83           HB2      ALA  83 -15.095   1.165  -6.780
  614    HB3  ALA  83           HB3      ALA  83 -14.341  -0.100  -5.807
  615    H    GLU  84           HN       GLU  84 -15.135  -0.160  -3.301
  616    HA   GLU  84           HA       GLU  84 -17.985   0.179  -3.516
  617    HB2  GLU  84           HB2      GLU  84 -18.124  -1.907  -2.162
  618    HB3  GLU  84           HB1      GLU  84 -17.213  -2.072  -3.653
  619    HG2  GLU  84           HG2      GLU  84 -15.135  -1.965  -2.425
  620    HG3  GLU  84           HG1      GLU  84 -16.016  -1.695  -0.924
  621    H    ALA  85           HN       ALA  85 -15.596   0.388  -0.861
  622    HA   ALA  85           HA       ALA  85 -17.694   1.147   0.968
  623    HB1  ALA  85           HB1      ALA  85 -14.716   0.998   1.456
  624    HB2  ALA  85           HB2      ALA  85 -15.869  -0.302   1.759
  625    HB3  ALA  85           HB3      ALA  85 -15.966   1.197   2.685
  626    H    ALA  86           HN       ALA  86 -18.221   2.935  -0.428
  627    HA   ALA  86           HA       ALA  86 -17.113   5.370   0.612
  628    HB1  ALA  86           HB1      ALA  86 -17.110   4.780  -2.357
  629    HB2  ALA  86           HB2      ALA  86 -15.682   4.982  -1.346
  630    HB3  ALA  86           HB3      ALA  86 -16.766   6.348  -1.625
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1 -18.439   9.730  -3.851
    2    H2   MET   1           HT2      MET   1 -18.527  11.290  -4.493
    3    H3   MET   1           HT3      MET   1 -17.379  10.910  -3.281
    4    HA   MET   1           HA       MET   1 -17.398   9.757  -5.990
    5    HB2  MET   1           HB2      MET   1 -15.449  11.644  -4.629
    6    HB3  MET   1           HB1      MET   1 -15.222  10.918  -6.206
    7    HG2  MET   1           HG2      MET   1 -17.137  12.170  -7.055
    8    HG3  MET   1           HG1      MET   1 -17.373  12.886  -5.460
    9    HE1  MET   1           HE1      MET   1 -13.685  13.656  -8.140
   10    HE2  MET   1           HE2      MET   1 -15.067  12.668  -8.622
   11    HE3  MET   1           HE3      MET   1 -13.988  12.111  -7.342
   12    H    ALA   2           HN       ALA   2 -15.373   8.504  -6.279
   13    HA   ALA   2           HA       ALA   2 -14.958   6.876  -3.920
   14    HB1  ALA   2           HB1      ALA   2 -13.734   5.384  -5.438
   15    HB2  ALA   2           HB2      ALA   2 -13.918   6.557  -6.743
   16    HB3  ALA   2           HB3      ALA   2 -15.339   5.756  -6.071
   17    H    THR   3           HN       THR   3 -13.359   7.308  -2.597
   18    HA   THR   3           HA       THR   3 -11.048   8.894  -3.528
   19    HB   THR   3           HB       THR   3 -11.532   7.868  -0.789
   20    HG1  THR   3           HG1      THR   3 -13.443   9.014  -0.992
   21   HG21  THR   3          HG21      THR   3  -9.402   8.950  -1.263
   22   HG22  THR   3          HG22      THR   3 -10.333   9.940  -0.137
   23   HG23  THR   3          HG23      THR   3 -10.241  10.391  -1.840
   24    H    LEU   4           HN       LEU   4  -9.631   7.873  -4.453
   25    HA   LEU   4           HA       LEU   4  -9.350   5.048  -3.805
   26    HB2  LEU   4           HB2      LEU   4 -10.348   5.845  -6.011
   27    HB3  LEU   4           HB1      LEU   4  -8.725   6.416  -6.367
   28    HG   LEU   4           HG       LEU   4  -7.904   4.210  -6.008
   29   HD11  LEU   4          HD11      LEU   4  -9.523   2.293  -6.119
   30   HD12  LEU   4          HD12      LEU   4 -10.842   3.458  -6.010
   31   HD13  LEU   4          HD13      LEU   4  -9.716   3.274  -4.665
   32   HD21  LEU   4          HD21      LEU   4  -9.945   4.521  -8.202
   33   HD22  LEU   4          HD22      LEU   4  -8.665   3.305  -8.192
   34   HD23  LEU   4          HD23      LEU   4  -8.254   5.019  -8.248
   35    H    LEU   5           HN       LEU   5  -7.227   4.204  -4.207
   36    HA   LEU   5           HA       LEU   5  -5.059   5.905  -3.371
   37    HB2  LEU   5           HB2      LEU   5  -5.437   2.966  -3.761
   38    HB3  LEU   5           HB1      LEU   5  -3.874   3.676  -3.417
   39    HG   LEU   5           HG       LEU   5  -6.250   4.050  -1.607
   40   HD11  LEU   5          HD11      LEU   5  -4.036   1.998  -1.455
   41   HD12  LEU   5          HD12      LEU   5  -5.734   1.659  -1.813
   42   HD13  LEU   5          HD13      LEU   5  -5.280   2.297  -0.239
   43   HD21  LEU   5          HD21      LEU   5  -3.290   4.302  -1.177
   44   HD22  LEU   5          HD22      LEU   5  -4.589   4.721  -0.041
   45   HD23  LEU   5          HD23      LEU   5  -4.381   5.636  -1.526
   46    H    THR   6           HN       THR   6  -3.786   6.836  -4.863
   47    HA   THR   6           HA       THR   6  -3.428   5.524  -7.438
   48    HB   THR   6           HB       THR   6  -2.123   7.554  -8.023
   49    HG1  THR   6           HG1      THR   6  -2.915   8.556  -5.475
   50   HG21  THR   6          HG21      THR   6  -3.966   9.193  -7.975
   51   HG22  THR   6          HG22      THR   6  -4.809   8.206  -6.778
   52   HG23  THR   6          HG23      THR   6  -4.557   7.588  -8.409
   53    H    THR   7           HN       THR   7  -0.881   5.826  -8.085
   54    HA   THR   7           HA       THR   7   0.648   4.133  -6.506
   55    HB   THR   7           HB       THR   7   1.774   6.320  -8.275
   56    HG1  THR   7           HG1      THR   7   1.563   4.434  -9.872
   57   HG21  THR   7          HG21      THR   7   2.649   3.492  -7.669
   58   HG22  THR   7          HG22      THR   7   3.369   4.957  -6.999
   59   HG23  THR   7          HG23      THR   7   3.489   4.626  -8.728
   60    H    ASP   8           HN       ASP   8   0.382   7.651  -6.604
   61    HA   ASP   8           HA       ASP   8   2.446   8.253  -4.755
   62    HB2  ASP   8           HB2      ASP   8   0.079   9.870  -5.668
   63    HB3  ASP   8           HB1      ASP   8   1.228  10.474  -4.485
   64    H    ASP   9           HN       ASP   9  -1.016   7.829  -4.335
   65    HA   ASP   9           HA       ASP   9  -1.089   8.511  -1.568
   66    HB2  ASP   9           HB2      ASP   9  -2.896   6.618  -3.090
   67    HB3  ASP   9           HB1      ASP   9  -3.156   7.127  -1.434
   68    H    LEU  10           HN       LEU  10  -0.577   5.545  -3.316
   69    HA   LEU  10           HA       LEU  10  -0.610   3.782  -1.138
   70    HB2  LEU  10           HB2      LEU  10  -0.773   3.270  -3.625
   71    HB3  LEU  10           HB1      LEU  10   0.966   3.467  -3.680
   72    HG   LEU  10           HG       LEU  10   1.160   1.635  -2.005
   73   HD11  LEU  10          HD11      LEU  10  -0.796   0.201  -1.667
   74   HD12  LEU  10          HD12      LEU  10  -1.790   1.360  -2.561
   75   HD13  LEU  10          HD13      LEU  10  -1.047   1.828  -1.034
   76   HD21  LEU  10          HD21      LEU  10   0.695  -0.159  -3.612
   77   HD22  LEU  10          HD22      LEU  10   1.475   1.213  -4.395
   78   HD23  LEU  10          HD23      LEU  10  -0.260   0.957  -4.586
   79    H    ARG  11           HN       ARG  11   2.070   5.179  -2.982
   80    HA   ARG  11           HA       ARG  11   4.295   4.206  -1.694
   81    HB2  ARG  11           HB2      ARG  11   4.226   5.604  -3.751
   82    HB3  ARG  11           HB1      ARG  11   3.933   7.009  -2.741
   83    HG2  ARG  11           HG2      ARG  11   6.128   6.566  -1.633
   84    HG3  ARG  11           HG1      ARG  11   6.415   5.310  -2.843
   85    HD2  ARG  11           HD2      ARG  11   5.991   8.257  -3.331
   86    HD3  ARG  11           HD1      ARG  11   7.479   7.343  -3.558
   87    HE   ARG  11           HE       ARG  11   6.271   6.103  -5.314
   88   HH11  ARG  11          HH11      ARG  11   5.470   9.459  -4.514
   89   HH12  ARG  11          HH12      ARG  11   4.554   9.766  -5.908
   90   HH21  ARG  11          HH21      ARG  11   5.106   6.557  -7.364
   91   HH22  ARG  11          HH22      ARG  11   4.399   8.088  -7.622
   92    H    ARG  12           HN       ARG  12   2.481   7.130  -0.950
   93    HA   ARG  12           HA       ARG  12   4.016   8.208   1.095
   94    HB2  ARG  12           HB2      ARG  12   2.175   9.307  -0.123
   95    HB3  ARG  12           HB1      ARG  12   1.031   8.308   0.751
   96    HG2  ARG  12           HG2      ARG  12   1.653   9.359   2.836
   97    HG3  ARG  12           HG1      ARG  12   2.902  10.301   2.008
   98    HD2  ARG  12           HD2      ARG  12  -0.068  10.432   1.518
   99    HD3  ARG  12           HD1      ARG  12   0.922  11.662   2.308
  100    HE   ARG  12           HE       ARG  12   2.147  11.803   0.128
  101   HH11  ARG  12          HH11      ARG  12  -1.297  11.028   0.264
  102   HH12  ARG  12          HH12      ARG  12  -1.593  11.443  -1.359
  103   HH21  ARG  12          HH21      ARG  12   1.769  12.324  -2.053
  104   HH22  ARG  12          HH22      ARG  12   0.212  12.180  -2.755
  105    H    ALA  13           HN       ALA  13   1.320   5.936   1.217
  106    HA   ALA  13           HA       ALA  13   1.048   5.902   4.002
  107    HB1  ALA  13           HB1      ALA  13  -0.718   5.170   2.473
  108    HB2  ALA  13           HB2      ALA  13  -0.339   3.936   3.676
  109    HB3  ALA  13           HB3      ALA  13   0.258   3.770   2.026
  110    H    LEU  14           HN       LEU  14   3.069   3.963   1.819
  111    HA   LEU  14           HA       LEU  14   3.955   2.092   3.724
  112    HB2  LEU  14           HB2      LEU  14   5.228   3.218   1.228
  113    HB3  LEU  14           HB1      LEU  14   6.081   2.088   2.240
  114    HG   LEU  14           HG       LEU  14   5.243   0.989   0.335
  115   HD11  LEU  14          HD11      LEU  14   3.626   0.211   2.726
  116   HD12  LEU  14          HD12      LEU  14   5.242  -0.358   2.300
  117   HD13  LEU  14          HD13      LEU  14   3.853  -0.788   1.294
  118   HD21  LEU  14          HD21      LEU  14   3.429   2.411  -0.318
  119   HD22  LEU  14          HD22      LEU  14   2.487   1.905   1.083
  120   HD23  LEU  14          HD23      LEU  14   2.866   0.746  -0.193
  121    H    VAL  15           HN       VAL  15   5.399   5.085   2.552
  122    HA   VAL  15           HA       VAL  15   7.703   5.143   4.107
  123    HB   VAL  15           HB       VAL  15   6.138   7.523   3.055
  124   HG11  VAL  15          HG11      VAL  15   9.047   7.292   3.826
  125   HG12  VAL  15          HG12      VAL  15   7.811   8.193   4.703
  126   HG13  VAL  15          HG13      VAL  15   8.289   8.700   3.082
  127   HG21  VAL  15          HG21      VAL  15   7.641   7.398   1.118
  128   HG22  VAL  15          HG22      VAL  15   6.673   5.933   1.285
  129   HG23  VAL  15          HG23      VAL  15   8.366   5.932   1.781
  130    H    GLU  16           HN       GLU  16   4.582   6.716   4.742
  131    HA   GLU  16           HA       GLU  16   5.286   7.969   7.149
  132    HB2  GLU  16           HB2      GLU  16   2.556   7.018   6.282
  133    HB3  GLU  16           HB1      GLU  16   2.873   8.149   7.585
  134    HG2  GLU  16           HG2      GLU  16   3.817   9.730   5.965
  135    HG3  GLU  16           HG1      GLU  16   3.452   8.592   4.666
  136    H    SER  17           HN       SER  17   4.308   4.664   6.543
  137    HA   SER  17           HA       SER  17   3.673   4.140   9.293
  138    HB2  SER  17           HB2      SER  17   4.005   2.236   6.976
  139    HB3  SER  17           HB1      SER  17   3.320   1.841   8.555
  140    HG   SER  17           HG       SER  17   2.279   3.276   6.445
  141    H    ALA  18           HN       ALA  18   6.356   3.396   7.125
  142    HA   ALA  18           HA       ALA  18   7.721   1.888   9.125
  143    HB1  ALA  18           HB1      ALA  18   9.582   1.856   7.552
  144    HB2  ALA  18           HB2      ALA  18   8.777   3.076   6.565
  145    HB3  ALA  18           HB3      ALA  18   8.064   1.473   6.739
  146    H    GLY  19           HN       GLY  19   7.675   5.215   8.104
  147    HA2  GLY  19           HA2      GLY  19   8.365   7.059   9.342
  148    HA3  GLY  19           HA1      GLY  19   9.146   5.971  10.486
  149    H    GLU  20           HN       GLU  20   9.603   5.663   7.152
  150    HA   GLU  20           HA       GLU  20  12.424   5.721   7.384
  151    HB2  GLU  20           HB2      GLU  20  10.645   5.680   4.964
  152    HB3  GLU  20           HB1      GLU  20  12.390   5.467   4.942
  153    HG2  GLU  20           HG2      GLU  20  10.383   3.680   6.276
  154    HG3  GLU  20           HG1      GLU  20  11.274   3.345   4.790
  155    H    THR  21           HN       THR  21  13.797   7.312   7.052
  156    HA   THR  21           HA       THR  21  12.918   9.922   6.285
  157    HB   THR  21           HB       THR  21  15.460  10.322   6.222
  158    HG1  THR  21           HG1      THR  21  15.644   7.830   7.560
  159   HG21  THR  21          HG21      THR  21  15.691  10.268   8.670
  160   HG22  THR  21          HG22      THR  21  14.274   9.225   8.780
  161   HG23  THR  21          HG23      THR  21  14.106  10.880   8.192
  162    H    ASP  22           HN       ASP  22  15.409   7.926   4.932
  163    HA   ASP  22           HA       ASP  22  14.981   8.865   2.250
  164    HB2  ASP  22           HB2      ASP  22  17.207   8.131   2.947
  165    HB3  ASP  22           HB1      ASP  22  16.598   6.505   3.241
  166    H    GLY  23           HN       GLY  23  14.749   5.572   3.594
  167    HA2  GLY  23           HA2      GLY  23  13.315   3.839   3.194
  168    HA3  GLY  23           HA1      GLY  23  12.101   5.048   2.768
  169    H    THR  24           HN       THR  24  15.158   4.547   1.149
  170    HA   THR  24           HA       THR  24  15.698   3.539  -0.777
  171    HB   THR  24           HB       THR  24  12.880   2.377  -0.695
  172    HG1  THR  24           HG1      THR  24  13.617   1.046   0.706
  173   HG21  THR  24          HG21      THR  24  13.845   2.296  -2.908
  174   HG22  THR  24          HG22      THR  24  13.723   0.674  -2.190
  175   HG23  THR  24          HG23      THR  24  15.293   1.510  -2.253
  176    H    ASP  25           HN       ASP  25  15.461   4.069  -3.071
  177    HA   ASP  25           HA       ASP  25  13.960   6.468  -3.543
  178    HB2  ASP  25           HB2      ASP  25  16.092   6.019  -4.743
  179    HB3  ASP  25           HB1      ASP  25  15.336   4.647  -5.545
  180    H    LEU  26           HN       LEU  26  11.845   6.206  -3.355
  181    HA   LEU  26           HA       LEU  26  10.615   3.872  -4.663
  182    HB2  LEU  26           HB2      LEU  26  10.594   4.200  -2.110
  183    HB3  LEU  26           HB1      LEU  26   9.442   5.481  -2.412
  184    HG   LEU  26           HG       LEU  26   7.936   3.812  -3.474
  185   HD11  LEU  26          HD11      LEU  26   9.646   2.218  -4.151
  186   HD12  LEU  26          HD12      LEU  26   8.422   1.445  -3.145
  187   HD13  LEU  26          HD13      LEU  26   9.993   1.859  -2.460
  188   HD21  LEU  26          HD21      LEU  26   7.668   4.438  -1.119
  189   HD22  LEU  26          HD22      LEU  26   8.807   3.172  -0.652
  190   HD23  LEU  26          HD23      LEU  26   7.259   2.743  -1.380
  191    H    SER  27           HN       SER  27  11.146   7.009  -5.192
  192    HA   SER  27           HA       SER  27   8.565   8.003  -5.738
  193    HB2  SER  27           HB2      SER  27  10.079   9.775  -6.934
  194    HB3  SER  27           HB1      SER  27  10.081   9.648  -5.172
  195    HG   SER  27           HG       SER  27  12.101   9.167  -6.947
  196    H    GLY  28           HN       GLY  28   7.455   6.908  -7.173
  197    HA2  GLY  28           HA2      GLY  28   7.303   7.262  -9.764
  198    HA3  GLY  28           HA1      GLY  28   8.593   6.054  -9.700
  199    H    ASP  29           HN       ASP  29   6.859   4.853 -10.929
  200    HA   ASP  29           HA       ASP  29   4.831   3.715  -9.180
  201    HB2  ASP  29           HB2      ASP  29   5.423   3.218 -12.113
  202    HB3  ASP  29           HB1      ASP  29   4.178   2.371 -11.208
  203    H    PHE  30           HN       PHE  30   5.714   2.474  -7.771
  204    HA   PHE  30           HA       PHE  30   7.911   0.716  -8.503
  205    HB2  PHE  30           HB2      PHE  30   8.252   0.442  -6.100
  206    HB3  PHE  30           HB1      PHE  30   8.171   2.141  -6.523
  207    HD1  PHE  30           HD1      PHE  30   5.911   3.326  -6.127
  208    HD2  PHE  30           HD2      PHE  30   6.925  -0.412  -4.357
  209    HE1  PHE  30           HE1      PHE  30   4.186   3.680  -4.423
  210    HE2  PHE  30           HE2      PHE  30   5.203  -0.060  -2.638
  211    HZ   PHE  30           HZ       PHE  30   3.897   1.928  -2.589
  212    H    LEU  31           HN       LEU  31   5.023   0.295  -9.142
  213    HA   LEU  31           HA       LEU  31   3.837  -1.732  -7.663
  214    HB2  LEU  31           HB2      LEU  31   3.577  -1.268 -10.619
  215    HB3  LEU  31           HB1      LEU  31   2.512  -2.255  -9.644
  216    HG   LEU  31           HG       LEU  31   2.846   0.740  -9.482
  217   HD11  LEU  31          HD11      LEU  31   1.515  -0.056 -11.357
  218   HD12  LEU  31          HD12      LEU  31   0.509   0.752 -10.140
  219   HD13  LEU  31          HD13      LEU  31   0.541  -1.011 -10.232
  220   HD21  LEU  31          HD21      LEU  31   2.523  -0.187  -7.241
  221   HD22  LEU  31          HD22      LEU  31   1.121  -1.085  -7.819
  222   HD23  LEU  31          HD23      LEU  31   1.086   0.685  -7.786
  223    H    ASP  32           HN       ASP  32   6.510  -2.015  -9.825
  224    HA   ASP  32           HA       ASP  32   6.195  -4.909 -10.114
  225    HB2  ASP  32           HB2      ASP  32   6.737  -3.588 -12.119
  226    HB3  ASP  32           HB1      ASP  32   8.183  -2.975 -11.336
  227    H    LEU  33           HN       LEU  33   7.853  -2.599  -8.248
  228    HA   LEU  33           HA       LEU  33  10.068  -4.281  -7.498
  229    HB2  LEU  33           HB2      LEU  33   9.086  -1.658  -6.383
  230    HB3  LEU  33           HB1      LEU  33  10.543  -2.479  -5.857
  231    HG   LEU  33           HG       LEU  33  10.041  -1.370  -8.614
  232   HD11  LEU  33          HD11      LEU  33  11.779   0.243  -8.022
  233   HD12  LEU  33          HD12      LEU  33  11.866  -0.446  -6.400
  234   HD13  LEU  33          HD13      LEU  33  10.392   0.362  -6.938
  235   HD21  LEU  33          HD21      LEU  33  12.483  -2.696  -7.440
  236   HD22  LEU  33          HD22      LEU  33  12.385  -1.942  -9.031
  237   HD23  LEU  33          HD23      LEU  33  11.423  -3.378  -8.673
  238    H    ARG  34           HN       ARG  34  10.127  -5.618  -5.866
  239    HA   ARG  34           HA       ARG  34   7.670  -6.320  -4.576
  240    HB2  ARG  34           HB2      ARG  34  10.481  -7.389  -4.270
  241    HB3  ARG  34           HB1      ARG  34   9.089  -8.045  -3.434
  242    HG2  ARG  34           HG2      ARG  34   9.625  -9.443  -5.327
  243    HG3  ARG  34           HG1      ARG  34   8.094  -8.616  -5.602
  244    HD2  ARG  34           HD2      ARG  34   9.534  -8.697  -7.607
  245    HD3  ARG  34           HD1      ARG  34   9.134  -7.059  -7.098
  246    HE   ARG  34           HE       ARG  34  11.609  -7.982  -6.005
  247   HH11  ARG  34          HH11      ARG  34  10.134  -6.489  -8.879
  248   HH12  ARG  34          HH12      ARG  34  11.598  -5.898  -9.499
  249   HH21  ARG  34          HH21      ARG  34  13.603  -6.967  -6.770
  250   HH22  ARG  34          HH22      ARG  34  13.595  -6.122  -8.246
  251    H    PHE  35           HN       PHE  35   7.394  -6.450  -2.283
  252    HA   PHE  35           HA       PHE  35   8.245  -4.077  -0.999
  253    HB2  PHE  35           HB2      PHE  35   6.881  -6.476   0.267
  254    HB3  PHE  35           HB1      PHE  35   7.087  -4.879   0.990
  255    HD1  PHE  35           HD1      PHE  35   6.019  -2.889  -0.167
  256    HD2  PHE  35           HD2      PHE  35   5.028  -6.925  -1.038
  257    HE1  PHE  35           HE1      PHE  35   3.883  -2.153  -1.147
  258    HE2  PHE  35           HE2      PHE  35   2.902  -6.201  -2.019
  259    HZ   PHE  35           HZ       PHE  35   2.324  -3.841  -2.084
  260    H    GLU  36           HN       GLU  36   9.177  -7.477  -0.591
  261    HA   GLU  36           HA       GLU  36  11.077  -7.055   1.445
  262    HB2  GLU  36           HB2      GLU  36  10.296  -9.318   0.739
  263    HB3  GLU  36           HB1      GLU  36  11.219  -9.148  -0.750
  264    HG2  GLU  36           HG2      GLU  36  13.285  -8.985   0.568
  265    HG3  GLU  36           HG1      GLU  36  12.350  -9.199   2.042
  266    H    ASP  37           HN       ASP  37  11.137  -6.285  -1.860
  267    HA   ASP  37           HA       ASP  37  14.005  -6.165  -2.191
  268    HB2  ASP  37           HB2      ASP  37  12.534  -6.684  -4.097
  269    HB3  ASP  37           HB1      ASP  37  11.773  -5.109  -3.936
  270    H    ILE  38           HN       ILE  38  11.393  -3.998  -1.393
  271    HA   ILE  38           HA       ILE  38  13.259  -1.768  -1.436
  272    HB   ILE  38           HB       ILE  38  11.301  -0.281  -1.103
  273   HG12  ILE  38          HG12      ILE  38   9.688  -2.840  -1.357
  274   HG13  ILE  38          HG11      ILE  38   9.857  -1.889   0.108
  275   HG21  ILE  38          HG21      ILE  38  10.341  -0.584  -3.347
  276   HG22  ILE  38          HG22      ILE  38  11.068  -2.187  -3.439
  277   HG23  ILE  38          HG23      ILE  38  12.095  -0.757  -3.352
  278   HD11  ILE  38          HD11      ILE  38   8.515  -1.007  -2.440
  279   HD12  ILE  38          HD12      ILE  38   8.689  -0.030  -0.984
  280   HD13  ILE  38          HD13      ILE  38   7.712  -1.500  -0.949
  281    H    GLY  39           HN       GLY  39  12.893  -3.994   0.638
  282    HA2  GLY  39           HA2      GLY  39  13.469  -4.157   2.869
  283    HA3  GLY  39           HA1      GLY  39  13.676  -2.412   2.893
  284    H    TYR  40           HN       TYR  40  10.841  -4.472   2.265
  285    HA   TYR  40           HA       TYR  40   9.508  -3.278   4.580
  286    HB2  TYR  40           HB2      TYR  40   8.659  -3.230   1.746
  287    HB3  TYR  40           HB1      TYR  40   7.420  -3.513   2.960
  288    HD1  TYR  40           HD2      TYR  40  10.129  -1.239   1.992
  289    HD2  TYR  40           HD1      TYR  40   6.498  -1.701   4.128
  290    HE1  TYR  40           HE2      TYR  40  10.102   1.114   2.340
  291    HE2  TYR  40           HE1      TYR  40   6.397   0.715   4.511
  292    HH   TYR  40           HH       TYR  40   7.893   2.598   4.586
  293    H    ASP  41           HN       ASP  41   8.957  -4.839   5.895
  294    HA   ASP  41           HA       ASP  41   8.187  -7.429   4.818
  295    HB2  ASP  41           HB2      ASP  41   8.554  -6.452   7.627
  296    HB3  ASP  41           HB1      ASP  41   7.835  -7.995   7.272
  297    H    SER  42           HN       SER  42   6.200  -8.443   5.633
  298    HA   SER  42           HA       SER  42   4.026  -6.972   4.886
  299    HB2  SER  42           HB2      SER  42   2.703  -8.901   5.711
  300    HB3  SER  42           HB1      SER  42   4.077  -9.265   4.651
  301    HG   SER  42           HG       SER  42   4.080 -10.693   6.309
  302    H    LEU  43           HN       LEU  43   5.365  -7.231   8.120
  303    HA   LEU  43           HA       LEU  43   3.054  -6.393   9.515
  304    HB2  LEU  43           HB2      LEU  43   5.019  -7.396  10.604
  305    HB3  LEU  43           HB1      LEU  43   5.956  -5.969  10.221
  306    HG   LEU  43           HG       LEU  43   4.499  -4.634  11.702
  307   HD11  LEU  43          HD11      LEU  43   3.264  -7.299  12.385
  308   HD12  LEU  43          HD12      LEU  43   2.473  -5.978  11.527
  309   HD13  LEU  43          HD13      LEU  43   2.956  -5.770  13.211
  310   HD21  LEU  43          HD21      LEU  43   5.343  -5.563  13.793
  311   HD22  LEU  43          HD22      LEU  43   6.572  -5.595  12.526
  312   HD23  LEU  43          HD23      LEU  43   5.721  -7.074  12.966
  313    H    ALA  44           HN       ALA  44   5.860  -4.530   8.384
  314    HA   ALA  44           HA       ALA  44   4.918  -1.962   8.995
  315    HB1  ALA  44           HB1      ALA  44   6.528  -1.206   7.278
  316    HB2  ALA  44           HB2      ALA  44   6.700  -2.889   6.746
  317    HB3  ALA  44           HB3      ALA  44   7.221  -2.424   8.355
  318    H    LEU  45           HN       LEU  45   4.509  -4.015   6.221
  319    HA   LEU  45           HA       LEU  45   3.167  -2.241   4.556
  320    HB2  LEU  45           HB2      LEU  45   4.209  -4.336   3.805
  321    HB3  LEU  45           HB1      LEU  45   3.035  -5.237   4.720
  322    HG   LEU  45           HG       LEU  45   1.280  -4.674   3.191
  323   HD11  LEU  45          HD11      LEU  45   1.949  -2.342   2.747
  324   HD12  LEU  45          HD12      LEU  45   1.680  -3.246   1.250
  325   HD13  LEU  45          HD13      LEU  45   3.325  -2.933   1.813
  326   HD21  LEU  45          HD21      LEU  45   3.821  -5.305   1.765
  327   HD22  LEU  45          HD22      LEU  45   2.195  -5.633   1.154
  328   HD23  LEU  45          HD23      LEU  45   2.796  -6.479   2.593
  329    H    MET  46           HN       MET  46   1.931  -4.558   6.974
  330    HA   MET  46           HA       MET  46  -0.787  -4.034   6.455
  331    HB2  MET  46           HB2      MET  46   0.408  -5.088   9.041
  332    HB3  MET  46           HB1      MET  46  -1.312  -4.972   8.647
  333    HG2  MET  46           HG2      MET  46  -1.033  -6.522   6.801
  334    HG3  MET  46           HG1      MET  46   0.695  -6.619   7.132
  335    HE1  MET  46           HE1      MET  46   0.732  -8.474  10.607
  336    HE2  MET  46           HE2      MET  46   0.746  -6.732  10.332
  337    HE3  MET  46           HE3      MET  46   1.720  -7.790   9.314
  338    H    GLU  47           HN       GLU  47   1.468  -2.398   8.640
  339    HA   GLU  47           HA       GLU  47  -0.505  -0.694   9.784
  340    HB2  GLU  47           HB2      GLU  47   1.842  -0.967  10.677
  341    HB3  GLU  47           HB1      GLU  47   2.392   0.040   9.337
  342    HG2  GLU  47           HG2      GLU  47   0.893   1.842  10.138
  343    HG3  GLU  47           HG1      GLU  47   0.498   0.846  11.532
  344    H    THR  48           HN       THR  48   1.138  -0.717   6.875
  345    HA   THR  48           HA       THR  48   0.750   1.949   5.936
  346    HB   THR  48           HB       THR  48   1.132  -0.691   4.498
  347    HG1  THR  48           HG1      THR  48   2.927  -0.030   5.769
  348   HG21  THR  48          HG21      THR  48   1.320   2.107   3.380
  349   HG22  THR  48          HG22      THR  48   0.082   0.913   2.979
  350   HG23  THR  48          HG23      THR  48   1.768   0.633   2.528
  351    H    ALA  49           HN       ALA  49  -0.810  -1.140   5.282
  352    HA   ALA  49           HA       ALA  49  -3.142  -0.270   4.044
  353    HB1  ALA  49           HB1      ALA  49  -4.055  -2.448   4.715
  354    HB2  ALA  49           HB2      ALA  49  -2.733  -2.654   5.862
  355    HB3  ALA  49           HB3      ALA  49  -2.400  -2.617   4.133
  356    H    ALA  50           HN       ALA  50  -2.317  -0.508   7.468
  357    HA   ALA  50           HA       ALA  50  -4.774  -0.121   8.527
  358    HB1  ALA  50           HB1      ALA  50  -2.873  -0.744   9.902
  359    HB2  ALA  50           HB2      ALA  50  -3.701   0.650  10.598
  360    HB3  ALA  50           HB3      ALA  50  -2.191   0.871   9.715
  361    H    ARG  51           HN       ARG  51  -2.448   2.273   7.437
  362    HA   ARG  51           HA       ARG  51  -3.796   4.622   8.295
  363    HB2  ARG  51           HB2      ARG  51  -2.041   4.312   5.854
  364    HB3  ARG  51           HB1      ARG  51  -2.451   5.818   6.661
  365    HG2  ARG  51           HG2      ARG  51  -1.267   4.986   8.669
  366    HG3  ARG  51           HG1      ARG  51  -0.761   3.581   7.729
  367    HD2  ARG  51           HD2      ARG  51   0.994   5.252   7.746
  368    HD3  ARG  51           HD1      ARG  51   0.337   5.078   6.117
  369    HE   ARG  51           HE       ARG  51  -0.422   7.211   6.204
  370   HH11  ARG  51          HH11      ARG  51   0.621   6.286   9.497
  371   HH12  ARG  51          HH12      ARG  51   0.320   7.839  10.144
  372   HH21  ARG  51          HH21      ARG  51  -0.733   9.292   7.082
  373   HH22  ARG  51          HH22      ARG  51  -0.446   9.616   8.730
  374    H    LEU  52           HN       LEU  52  -3.899   2.668   5.443
  375    HA   LEU  52           HA       LEU  52  -5.607   4.246   3.869
  376    HB2  LEU  52           HB2      LEU  52  -5.182   1.263   3.856
  377    HB3  LEU  52           HB1      LEU  52  -5.814   2.201   2.522
  378    HG   LEU  52           HG       LEU  52  -3.021   2.332   3.647
  379   HD11  LEU  52          HD11      LEU  52  -3.415   0.346   2.330
  380   HD12  LEU  52          HD12      LEU  52  -2.344   1.461   1.481
  381   HD13  LEU  52          HD13      LEU  52  -4.034   1.327   1.003
  382   HD21  LEU  52          HD21      LEU  52  -4.268   3.856   1.385
  383   HD22  LEU  52          HD22      LEU  52  -2.548   3.861   1.786
  384   HD23  LEU  52          HD23      LEU  52  -3.727   4.532   2.920
  385    H    GLU  53           HN       GLU  53  -6.144   1.507   6.039
  386    HA   GLU  53           HA       GLU  53  -8.894   1.254   5.861
  387    HB2  GLU  53           HB2      GLU  53  -7.117   0.869   8.281
  388    HB3  GLU  53           HB1      GLU  53  -8.781   0.319   8.170
  389    HG2  GLU  53           HG2      GLU  53  -8.131  -1.126   6.277
  390    HG3  GLU  53           HG1      GLU  53  -6.463  -0.609   6.499
  391    H    SER  54           HN       SER  54  -6.998   3.227   8.101
  392    HA   SER  54           HA       SER  54  -9.164   4.432   9.410
  393    HB2  SER  54           HB2      SER  54  -6.388   5.551   8.996
  394    HB3  SER  54           HB1      SER  54  -7.546   6.065  10.221
  395    HG   SER  54           HG       SER  54  -7.107   3.362  10.297
  396    H    ARG  55           HN       ARG  55  -7.211   5.639   6.646
  397    HA   ARG  55           HA       ARG  55  -8.472   8.147   6.476
  398    HB2  ARG  55           HB2      ARG  55  -6.275   7.751   5.453
  399    HB3  ARG  55           HB1      ARG  55  -7.000   6.650   4.288
  400    HG2  ARG  55           HG2      ARG  55  -8.334   8.524   3.378
  401    HG3  ARG  55           HG1      ARG  55  -7.552   9.616   4.516
  402    HD2  ARG  55           HD2      ARG  55  -5.371   9.108   3.468
  403    HD3  ARG  55           HD1      ARG  55  -6.185   8.043   2.321
  404    HE   ARG  55           HE       ARG  55  -7.259  10.713   2.346
  405   HH11  ARG  55          HH11      ARG  55  -4.675   8.773   0.933
  406   HH12  ARG  55          HH12      ARG  55  -4.519   9.702  -0.485
  407   HH21  ARG  55          HH21      ARG  55  -7.056  12.046   0.463
  408   HH22  ARG  55          HH22      ARG  55  -5.884  11.715  -0.710
  409    H    TYR  56           HN       TYR  56  -9.173   5.118   4.798
  410    HA   TYR  56           HA       TYR  56 -11.204   6.533   3.275
  411    HB2  TYR  56           HB2      TYR  56 -10.114   3.744   2.966
  412    HB3  TYR  56           HB1      TYR  56 -11.303   4.462   1.888
  413    HD1  TYR  56           HD1      TYR  56 -10.571   6.878   1.016
  414    HD2  TYR  56           HD2      TYR  56  -7.917   3.820   2.277
  415    HE1  TYR  56           HE1      TYR  56  -8.775   7.903  -0.295
  416    HE2  TYR  56           HE2      TYR  56  -6.113   4.841   0.966
  417    HH   TYR  56           HH       TYR  56  -5.924   6.357  -1.026
  418    H    GLY  57           HN       GLY  57 -11.094   4.841   6.110
  419    HA2  GLY  57           HA2      GLY  57 -12.780   4.164   7.523
  420    HA3  GLY  57           HA1      GLY  57 -13.930   4.820   6.362
  421    H    VAL  58           HN       VAL  58 -11.551   2.236   6.292
  422    HA   VAL  58           HA       VAL  58 -13.606   0.298   5.629
  423    HB   VAL  58           HB       VAL  58 -12.692   1.320   3.489
  424   HG11  VAL  58          HG11      VAL  58 -10.449   1.759   4.092
  425   HG12  VAL  58          HG12      VAL  58 -10.474   0.696   2.686
  426   HG13  VAL  58          HG13      VAL  58 -10.110   0.038   4.284
  427   HG21  VAL  58          HG21      VAL  58 -12.168  -1.635   3.823
  428   HG22  VAL  58          HG22      VAL  58 -12.323  -0.806   2.276
  429   HG23  VAL  58          HG23      VAL  58 -13.701  -0.887   3.375
  430    H    SER  59           HN       SER  59 -12.340  -2.000   5.563
  431    HA   SER  59           HA       SER  59  -9.964  -1.849   7.196
  432    HB2  SER  59           HB2      SER  59 -11.944  -2.325   8.692
  433    HB3  SER  59           HB1      SER  59 -12.223  -3.797   7.759
  434    HG   SER  59           HG       SER  59  -9.670  -3.319   8.805
  435    H    ILE  60           HN       ILE  60  -8.490  -3.218   6.624
  436    HA   ILE  60           HA       ILE  60  -8.966  -4.785   4.183
  437    HB   ILE  60           HB       ILE  60  -6.375  -3.682   5.312
  438   HG12  ILE  60          HG12      ILE  60  -7.954  -2.700   2.922
  439   HG13  ILE  60          HG11      ILE  60  -8.015  -1.955   4.514
  440   HG21  ILE  60          HG21      ILE  60  -6.968  -4.978   2.640
  441   HG22  ILE  60          HG22      ILE  60  -6.040  -5.695   3.957
  442   HG23  ILE  60          HG23      ILE  60  -5.424  -4.269   3.119
  443   HD11  ILE  60          HD11      ILE  60  -5.636  -1.482   4.378
  444   HD12  ILE  60          HD12      ILE  60  -6.522  -0.743   3.041
  445   HD13  ILE  60          HD13      ILE  60  -5.579  -2.215   2.781
  446    HA   PRO  61           HA       PRO  61  -8.383  -8.347   6.874
  447    HB2  PRO  61           HB2      PRO  61  -7.952  -9.667   4.241
  448    HB3  PRO  61           HB1      PRO  61  -9.069 -10.101   5.540
  449    HG2  PRO  61           HG2      PRO  61  -9.969  -8.984   3.302
  450    HG3  PRO  61           HG1      PRO  61 -10.653  -8.547   4.878
  451    HD2  PRO  61           HD2      PRO  61  -8.701  -7.057   3.179
  452    HD3  PRO  61           HD1      PRO  61 -10.068  -6.439   4.131
  453    H    ASP  62           HN       ASP  62  -6.526  -8.546   7.848
  454    HA   ASP  62           HA       ASP  62  -4.040  -7.744   6.900
  455    HB2  ASP  62           HB2      ASP  62  -3.054  -8.612   8.905
  456    HB3  ASP  62           HB1      ASP  62  -4.635  -7.982   9.318
  457    H    ASP  63           HN       ASP  63  -5.568 -10.803   6.497
  458    HA   ASP  63           HA       ASP  63  -3.252 -12.337   5.908
  459    HB2  ASP  63           HB2      ASP  63  -4.814 -14.008   5.014
  460    HB3  ASP  63           HB1      ASP  63  -5.349 -13.415   6.579
  461    H    VAL  64           HN       VAL  64  -5.291 -10.230   4.080
  462    HA   VAL  64           HA       VAL  64  -4.315 -11.047   1.484
  463    HB   VAL  64           HB       VAL  64  -5.728  -8.486   2.330
  464   HG11  VAL  64          HG11      VAL  64  -5.363  -9.677  -0.415
  465   HG12  VAL  64          HG12      VAL  64  -4.584  -8.225   0.210
  466   HG13  VAL  64          HG13      VAL  64  -6.328  -8.251  -0.034
  467   HG21  VAL  64          HG21      VAL  64  -7.771  -9.520   1.461
  468   HG22  VAL  64          HG22      VAL  64  -7.096 -10.429   2.814
  469   HG23  VAL  64          HG23      VAL  64  -6.880 -11.013   1.166
  470    H    ALA  65           HN       ALA  65  -3.830  -8.366   3.691
  471    HA   ALA  65           HA       ALA  65  -2.000  -6.863   2.226
  472    HB1  ALA  65           HB1      ALA  65  -1.431  -5.768   4.321
  473    HB2  ALA  65           HB2      ALA  65  -2.180  -7.080   5.229
  474    HB3  ALA  65           HB3      ALA  65  -3.172  -6.031   4.214
  475    H    GLY  66           HN       GLY  66  -1.456  -9.690   4.221
  476    HA2  GLY  66           HA2      GLY  66   1.409  -9.346   4.027
  477    HA3  GLY  66           HA1      GLY  66   0.576 -10.657   4.859
  478    H    ARG  67           HN       ARG  67  -0.887 -10.534   1.932
  479    HA   ARG  67           HA       ARG  67   0.785 -12.727   0.921
  480    HB2  ARG  67           HB2      ARG  67  -2.076 -11.982   0.499
  481    HB3  ARG  67           HB1      ARG  67  -1.252 -13.027  -0.645
  482    HG2  ARG  67           HG2      ARG  67  -1.511 -13.570   2.299
  483    HG3  ARG  67           HG1      ARG  67  -2.548 -14.248   1.043
  484    HD2  ARG  67           HD2      ARG  67   0.426 -14.631   1.313
  485    HD3  ARG  67           HD1      ARG  67  -0.836 -15.811   1.669
  486    HE   ARG  67           HE       ARG  67  -1.285 -15.090  -0.935
  487   HH11  ARG  67          HH11      ARG  67   1.484 -16.510   0.772
  488   HH12  ARG  67          HH12      ARG  67   2.044 -17.379  -0.585
  489   HH21  ARG  67          HH21      ARG  67  -0.482 -16.221  -2.790
  490   HH22  ARG  67          HH22      ARG  67   0.889 -17.212  -2.668
  491    H    VAL  68           HN       VAL  68   0.113  -9.521   0.257
  492    HA   VAL  68           HA       VAL  68   0.531  -9.746  -2.572
  493    HB   VAL  68           HB       VAL  68   0.536  -7.233  -2.540
  494   HG11  VAL  68          HG11      VAL  68  -1.763  -8.598  -1.132
  495   HG12  VAL  68          HG12      VAL  68  -1.518  -8.506  -2.875
  496   HG13  VAL  68          HG13      VAL  68  -1.840  -7.037  -1.954
  497   HG21  VAL  68          HG21      VAL  68  -0.041  -7.623   0.397
  498   HG22  VAL  68          HG22      VAL  68  -0.117  -6.095  -0.487
  499   HG23  VAL  68          HG23      VAL  68   1.431  -6.915  -0.275
  500    H    ASP  69           HN       ASP  69   2.389  -9.928  -3.521
  501    HA   ASP  69           HA       ASP  69   4.878  -9.323  -2.092
  502    HB2  ASP  69           HB2      ASP  69   4.813 -11.484  -3.152
  503    HB3  ASP  69           HB1      ASP  69   4.293 -10.769  -4.666
  504    H    THR  70           HN       THR  70   3.115  -8.409  -4.917
  505    HA   THR  70           HA       THR  70   5.022  -6.236  -5.197
  506    HB   THR  70           HB       THR  70   4.345  -6.193  -7.644
  507    HG1  THR  70           HG1      THR  70   2.927  -8.467  -6.734
  508   HG21  THR  70          HG21      THR  70   5.605  -8.685  -6.517
  509   HG22  THR  70          HG22      THR  70   6.442  -7.188  -6.930
  510   HG23  THR  70          HG23      THR  70   5.732  -8.187  -8.207
  511    HA   PRO  71           HA       PRO  71   1.972  -3.300  -4.022
  512    HB2  PRO  71           HB2      PRO  71   3.183  -1.673  -6.196
  513    HB3  PRO  71           HB1      PRO  71   2.886  -1.257  -4.499
  514    HG2  PRO  71           HG2      PRO  71   5.329  -1.845  -5.282
  515    HG3  PRO  71           HG1      PRO  71   4.713  -2.481  -3.743
  516    HD2  PRO  71           HD2      PRO  71   5.039  -3.862  -6.373
  517    HD3  PRO  71           HD1      PRO  71   5.365  -4.464  -4.736
  518    H    ARG  72           HN       ARG  72   2.352  -4.025  -7.424
  519    HA   ARG  72           HA       ARG  72   0.063  -2.872  -8.462
  520    HB2  ARG  72           HB2      ARG  72   0.067  -4.689 -10.165
  521    HB3  ARG  72           HB1      ARG  72   1.668  -4.003  -9.915
  522    HG2  ARG  72           HG2      ARG  72   2.295  -5.908  -8.553
  523    HG3  ARG  72           HG1      ARG  72   0.671  -6.569  -8.700
  524    HD2  ARG  72           HD2      ARG  72   2.165  -7.721 -10.208
  525    HD3  ARG  72           HD1      ARG  72   0.996  -6.749 -11.109
  526    HE   ARG  72           HE       ARG  72   2.700  -5.205 -11.623
  527   HH11  ARG  72          HH11      ARG  72   4.016  -8.063  -9.973
  528   HH12  ARG  72          HH12      ARG  72   5.558  -7.911 -10.695
  529   HH21  ARG  72          HH21      ARG  72   4.683  -5.033 -12.560
  530   HH22  ARG  72          HH22      ARG  72   5.977  -6.112 -12.221
  531    H    GLU  73           HN       GLU  73   0.387  -5.935  -6.742
  532    HA   GLU  73           HA       GLU  73  -2.261  -6.890  -7.041
  533    HB2  GLU  73           HB2      GLU  73  -0.237  -7.489  -4.882
  534    HB3  GLU  73           HB1      GLU  73  -1.621  -8.477  -5.333
  535    HG2  GLU  73           HG2      GLU  73  -0.642  -8.950  -7.473
  536    HG3  GLU  73           HG1      GLU  73   0.692  -7.847  -7.141
  537    H    LEU  74           HN       LEU  74  -0.508  -5.239  -4.508
  538    HA   LEU  74           HA       LEU  74  -2.570  -5.241  -2.589
  539    HB2  LEU  74           HB2      LEU  74  -0.144  -5.041  -2.104
  540    HB3  LEU  74           HB1      LEU  74  -0.131  -3.460  -2.830
  541    HG   LEU  74           HG       LEU  74  -0.042  -3.565  -0.295
  542   HD11  LEU  74          HD11      LEU  74  -0.564  -1.508  -1.425
  543   HD12  LEU  74          HD12      LEU  74  -1.511  -1.672   0.055
  544   HD13  LEU  74          HD13      LEU  74  -2.264  -1.965  -1.511
  545   HD21  LEU  74          HD21      LEU  74  -2.950  -4.288  -0.610
  546   HD22  LEU  74          HD22      LEU  74  -2.158  -3.850   0.901
  547   HD23  LEU  74          HD23      LEU  74  -1.694  -5.328   0.060
  548    H    LEU  75           HN       LEU  75  -1.487  -2.809  -4.918
  549    HA   LEU  75           HA       LEU  75  -3.193  -0.743  -4.206
  550    HB2  LEU  75           HB2      LEU  75  -1.292  -0.577  -5.807
  551    HB3  LEU  75           HB1      LEU  75  -2.235  -1.472  -6.979
  552    HG   LEU  75           HG       LEU  75  -3.890   0.369  -7.012
  553   HD11  LEU  75          HD11      LEU  75  -1.882   1.784  -5.270
  554   HD12  LEU  75          HD12      LEU  75  -3.502   1.271  -4.794
  555   HD13  LEU  75          HD13      LEU  75  -3.299   2.524  -6.018
  556   HD21  LEU  75          HD21      LEU  75  -1.045   1.173  -7.622
  557   HD22  LEU  75          HD22      LEU  75  -2.492   1.948  -8.264
  558   HD23  LEU  75          HD23      LEU  75  -2.128   0.274  -8.687
  559    H    ASP  76           HN       ASP  76  -3.656  -3.226  -6.722
  560    HA   ASP  76           HA       ASP  76  -6.244  -2.443  -7.477
  561    HB2  ASP  76           HB2      ASP  76  -4.977  -3.858  -8.951
  562    HB3  ASP  76           HB1      ASP  76  -4.907  -5.139  -7.745
  563    H    LEU  77           HN       LEU  77  -5.267  -4.949  -5.082
  564    HA   LEU  77           HA       LEU  77  -7.806  -5.885  -4.617
  565    HB2  LEU  77           HB2      LEU  77  -5.329  -5.831  -2.931
  566    HB3  LEU  77           HB1      LEU  77  -6.787  -6.701  -2.517
  567    HG   LEU  77           HG       LEU  77  -5.058  -7.207  -4.940
  568   HD11  LEU  77          HD11      LEU  77  -3.984  -7.936  -2.915
  569   HD12  LEU  77          HD12      LEU  77  -4.514  -9.323  -3.867
  570   HD13  LEU  77          HD13      LEU  77  -5.430  -8.829  -2.441
  571   HD21  LEU  77          HD21      LEU  77  -7.505  -8.681  -3.964
  572   HD22  LEU  77          HD22      LEU  77  -6.479  -9.168  -5.317
  573   HD23  LEU  77          HD23      LEU  77  -7.407  -7.672  -5.410
  574    H    ILE  78           HN       ILE  78  -6.056  -3.184  -3.157
  575    HA   ILE  78           HA       ILE  78  -8.210  -2.744  -1.312
  576    HB   ILE  78           HB       ILE  78  -5.848  -0.928  -1.929
  577   HG12  ILE  78          HG12      ILE  78  -6.299  -2.879   0.338
  578   HG13  ILE  78          HG11      ILE  78  -5.226  -3.150  -1.030
  579   HG21  ILE  78          HG21      ILE  78  -7.756   0.283  -0.929
  580   HG22  ILE  78          HG22      ILE  78  -6.416   0.159   0.212
  581   HG23  ILE  78          HG23      ILE  78  -7.816  -0.899   0.380
  582   HD11  ILE  78          HD11      ILE  78  -3.872  -1.246  -0.326
  583   HD12  ILE  78          HD12      ILE  78  -3.986  -2.478   0.925
  584   HD13  ILE  78          HD13      ILE  78  -4.945  -1.000   1.053
  585    H    ASN  79           HN       ASN  79  -7.162  -1.431  -4.408
  586    HA   ASN  79           HA       ASN  79  -8.949   0.725  -4.583
  587    HB2  ASN  79           HB2      ASN  79  -7.887  -1.046  -6.804
  588    HB3  ASN  79           HB1      ASN  79  -8.884   0.364  -7.097
  589   HD21  ASN  79          HD21      ASN  79  -7.525   1.844  -4.887
  590   HD22  ASN  79          HD22      ASN  79  -5.989   2.293  -5.586
  591    H    GLY  80           HN       GLY  80  -9.398  -2.657  -5.367
  592    HA2  GLY  80           HA2      GLY  80 -12.035  -2.520  -6.308
  593    HA3  GLY  80           HA1      GLY  80 -11.310  -3.930  -5.543
  594    H    ALA  81           HN       ALA  81 -10.803  -2.826  -3.016
  595    HA   ALA  81           HA       ALA  81 -13.350  -3.147  -1.790
  596    HB1  ALA  81           HB1      ALA  81 -11.274  -3.866  -0.687
  597    HB2  ALA  81           HB2      ALA  81 -12.169  -2.728   0.323
  598    HB3  ALA  81           HB3      ALA  81 -10.755  -2.185  -0.575
  599    H    LEU  82           HN       LEU  82 -11.392  -0.405  -2.671
  600    HA   LEU  82           HA       LEU  82 -12.972   1.522  -1.309
  601    HB2  LEU  82           HB2      LEU  82 -10.974   1.802  -3.543
  602    HB3  LEU  82           HB1      LEU  82 -11.669   3.137  -2.655
  603    HG   LEU  82           HG       LEU  82  -9.856   0.998  -1.547
  604   HD11  LEU  82          HD11      LEU  82  -8.696   2.610  -2.926
  605   HD12  LEU  82          HD12      LEU  82  -8.277   2.828  -1.228
  606   HD13  LEU  82          HD13      LEU  82  -9.404   3.937  -2.007
  607   HD21  LEU  82          HD21      LEU  82  -9.900   2.280   0.532
  608   HD22  LEU  82          HD22      LEU  82 -11.504   1.672   0.113
  609   HD23  LEU  82          HD23      LEU  82 -11.102   3.368  -0.163
  610    H    ALA  83           HN       ALA  83 -12.889   0.148  -4.540
  611    HA   ALA  83           HA       ALA  83 -14.725   1.888  -5.771
  612    HB1  ALA  83           HB1      ALA  83 -13.301   0.330  -7.025
  613    HB2  ALA  83           HB2      ALA  83 -15.004   0.131  -7.442
  614    HB3  ALA  83           HB3      ALA  83 -14.216  -1.027  -6.371
  615    H    GLU  84           HN       GLU  84 -15.148  -0.921  -3.756
  616    HA   GLU  84           HA       GLU  84 -18.043  -0.800  -4.059
  617    HB2  GLU  84           HB2      GLU  84 -18.064  -2.863  -2.687
  618    HB3  GLU  84           HB1      GLU  84 -17.091  -3.016  -4.138
  619    HG2  GLU  84           HG2      GLU  84 -15.073  -2.660  -2.783
  620    HG3  GLU  84           HG1      GLU  84 -16.083  -2.581  -1.342
  621    H    ALA  85           HN       ALA  85 -16.173   1.119  -2.527
  622    HA   ALA  85           HA       ALA  85 -17.447   1.008   0.093
  623    HB1  ALA  85           HB1      ALA  85 -15.317   2.868  -0.992
  624    HB2  ALA  85           HB2      ALA  85 -15.030   1.466   0.037
  625    HB3  ALA  85           HB3      ALA  85 -15.915   2.856   0.668
  626    H    ALA  86           HN       ALA  86 -18.377   3.138   0.875
  627    HA   ALA  86           HA       ALA  86 -19.525   4.728  -1.244
  628    HB1  ALA  86           HB1      ALA  86 -21.816   4.384  -0.413
  629    HB2  ALA  86           HB2      ALA  86 -21.218   3.187   0.735
  630    HB3  ALA  86           HB3      ALA  86 -21.114   2.874  -0.998
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  -4.871   9.906  -3.713
    2    H2   MET   1           HT2      MET   1  -6.195   9.205  -2.903
    3    H3   MET   1           HT3      MET   1  -5.311  10.433  -2.176
    4    HA   MET   1           HA       MET   1  -6.063  12.047  -3.696
    5    HB2  MET   1           HB2      MET   1  -7.669   9.728  -4.826
    6    HB3  MET   1           HB1      MET   1  -7.918  11.410  -5.245
    7    HG2  MET   1           HG2      MET   1  -5.425   9.820  -5.778
    8    HG3  MET   1           HG1      MET   1  -6.684  10.196  -6.953
    9    HE1  MET   1           HE1      MET   1  -4.927  11.217  -8.615
   10    HE2  MET   1           HE2      MET   1  -3.641  10.805  -7.482
   11    HE3  MET   1           HE3      MET   1  -3.731  12.432  -8.160
   12    H    ALA   2           HN       ALA   2  -8.771  12.414  -3.818
   13    HA   ALA   2           HA       ALA   2  -9.604  11.967  -1.082
   14    HB1  ALA   2           HB1      ALA   2 -10.089  14.131  -2.148
   15    HB2  ALA   2           HB2      ALA   2 -11.590  13.297  -1.740
   16    HB3  ALA   2           HB3      ALA   2 -11.012  13.313  -3.409
   17    H    THR   3           HN       THR   3  -9.942  10.714  -4.210
   18    HA   THR   3           HA       THR   3 -11.897   8.686  -3.383
   19    HB   THR   3           HB       THR   3 -11.106   9.547  -6.104
   20    HG1  THR   3           HG1      THR   3 -13.299  10.488  -4.524
   21   HG21  THR   3          HG21      THR   3 -13.588   8.184  -5.045
   22   HG22  THR   3          HG22      THR   3 -12.285   7.418  -5.955
   23   HG23  THR   3          HG23      THR   3 -13.322   8.613  -6.735
   24    H    LEU   4           HN       LEU   4 -10.555   7.007  -2.771
   25    HA   LEU   4           HA       LEU   4  -9.095   5.350  -2.848
   26    HB2  LEU   4           HB2      LEU   4  -9.659   5.821  -5.689
   27    HB3  LEU   4           HB1      LEU   4  -8.206   4.912  -5.337
   28    HG   LEU   4           HG       LEU   4  -9.469   3.239  -4.168
   29   HD11  LEU   4          HD11      LEU   4 -11.263   4.651  -3.263
   30   HD12  LEU   4          HD12      LEU   4 -11.931   3.277  -4.140
   31   HD13  LEU   4          HD13      LEU   4 -11.922   4.881  -4.887
   32   HD21  LEU   4          HD21      LEU   4 -10.749   2.334  -6.057
   33   HD22  LEU   4          HD22      LEU   4  -9.186   2.980  -6.551
   34   HD23  LEU   4          HD23      LEU   4 -10.659   3.905  -6.854
   35    H    LEU   5           HN       LEU   5  -6.948   4.642  -4.079
   36    HA   LEU   5           HA       LEU   5  -4.939   6.696  -3.453
   37    HB2  LEU   5           HB2      LEU   5  -4.841   3.689  -3.321
   38    HB3  LEU   5           HB1      LEU   5  -3.474   4.745  -3.057
   39    HG   LEU   5           HG       LEU   5  -5.936   4.773  -1.325
   40   HD11  LEU   5          HD11      LEU   5  -3.299   3.359  -0.940
   41   HD12  LEU   5          HD12      LEU   5  -4.842   2.575  -1.280
   42   HD13  LEU   5          HD13      LEU   5  -4.608   3.448   0.237
   43   HD21  LEU   5          HD21      LEU   5  -4.569   6.802  -1.298
   44   HD22  LEU   5          HD22      LEU   5  -3.137   5.834  -0.956
   45   HD23  LEU   5          HD23      LEU   5  -4.445   5.923   0.226
   46    H    THR   6           HN       THR   6  -3.674   7.209  -5.147
   47    HA   THR   6           HA       THR   6  -3.741   5.465  -7.476
   48    HB   THR   6           HB       THR   6  -2.539   7.374  -8.597
   49    HG1  THR   6           HG1      THR   6  -3.150   8.768  -6.150
   50   HG21  THR   6          HG21      THR   6  -5.195   8.051  -7.318
   51   HG22  THR   6          HG22      THR   6  -4.974   7.117  -8.798
   52   HG23  THR   6          HG23      THR   6  -4.523   8.822  -8.755
   53    H    THR   7           HN       THR   7  -1.309   5.763  -8.622
   54    HA   THR   7           HA       THR   7   0.451   4.162  -7.196
   55    HB   THR   7           HB       THR   7   1.292   6.211  -9.254
   56    HG1  THR   7           HG1      THR   7   0.456   3.840 -10.374
   57   HG21  THR   7          HG21      THR   7   2.087   3.331  -8.741
   58   HG22  THR   7          HG22      THR   7   3.025   4.749  -8.275
   59   HG23  THR   7          HG23      THR   7   2.774   4.379  -9.983
   60    H    ASP   8           HN       ASP   8   0.305   7.666  -7.622
   61    HA   ASP   8           HA       ASP   8   2.618   8.440  -6.238
   62    HB2  ASP   8           HB2      ASP   8   1.204   9.850  -7.789
   63    HB3  ASP   8           HB1      ASP   8   0.051  10.021  -6.472
   64    H    ASP   9           HN       ASP   9  -0.702   8.011  -5.177
   65    HA   ASP   9           HA       ASP   9  -0.375   8.944  -2.504
   66    HB2  ASP   9           HB2      ASP   9  -2.407   7.020  -3.620
   67    HB3  ASP   9           HB1      ASP   9  -2.437   7.652  -1.985
   68    H    LEU  10           HN       LEU  10  -0.176   5.790  -3.985
   69    HA   LEU  10           HA       LEU  10  -0.069   4.274  -1.629
   70    HB2  LEU  10           HB2      LEU  10  -0.469   3.539  -4.054
   71    HB3  LEU  10           HB1      LEU  10   1.274   3.545  -4.220
   72    HG   LEU  10           HG       LEU  10   1.401   1.883  -2.369
   73   HD11  LEU  10          HD11      LEU  10  -1.602   1.838  -2.702
   74   HD12  LEU  10          HD12      LEU  10  -0.726   2.408  -1.289
   75   HD13  LEU  10          HD13      LEU  10  -0.659   0.702  -1.738
   76   HD21  LEU  10          HD21      LEU  10   1.492   1.198  -4.712
   77   HD22  LEU  10          HD22      LEU  10  -0.270   1.102  -4.758
   78   HD23  LEU  10          HD23      LEU  10   0.650  -0.006  -3.737
   79    H    ARG  11           HN       ARG  11   2.394   5.754  -3.639
   80    HA   ARG  11           HA       ARG  11   4.727   4.928  -2.350
   81    HB2  ARG  11           HB2      ARG  11   4.680   6.273  -4.414
   82    HB3  ARG  11           HB1      ARG  11   4.131   7.657  -3.482
   83    HG2  ARG  11           HG2      ARG  11   6.262   7.515  -2.168
   84    HG3  ARG  11           HG1      ARG  11   6.806   6.288  -3.316
   85    HD2  ARG  11           HD2      ARG  11   6.069   9.147  -3.907
   86    HD3  ARG  11           HD1      ARG  11   7.671   8.408  -4.017
   87    HE   ARG  11           HE       ARG  11   6.856   7.072  -5.814
   88   HH11  ARG  11          HH11      ARG  11   5.005   9.961  -4.971
   89   HH12  ARG  11          HH12      ARG  11   4.161  10.088  -6.435
   90   HH21  ARG  11          HH21      ARG  11   5.630   7.157  -7.858
   91   HH22  ARG  11          HH22      ARG  11   4.511   8.415  -8.133
   92    H    ARG  12           HN       ARG  12   2.734   7.819  -1.748
   93    HA   ARG  12           HA       ARG  12   4.223   8.817   0.387
   94    HB2  ARG  12           HB2      ARG  12   2.510  10.178  -0.801
   95    HB3  ARG  12           HB1      ARG  12   1.246   9.228  -0.032
   96    HG2  ARG  12           HG2      ARG  12   1.462  11.275   1.191
   97    HG3  ARG  12           HG1      ARG  12   2.129   9.981   2.191
   98    HD2  ARG  12           HD2      ARG  12   4.393  10.670   1.065
   99    HD3  ARG  12           HD1      ARG  12   3.539  12.168   0.715
  100    HE   ARG  12           HE       ARG  12   3.616  11.200   3.478
  101   HH11  ARG  12          HH11      ARG  12   4.404  13.829   1.227
  102   HH12  ARG  12          HH12      ARG  12   5.361  14.662   2.333
  103   HH21  ARG  12          HH21      ARG  12   4.851  12.340   4.979
  104   HH22  ARG  12          HH22      ARG  12   5.669  13.795   4.570
  105    H    ALA  13           HN       ALA  13   1.665   6.443   0.342
  106    HA   ALA  13           HA       ALA  13   1.135   6.333   3.084
  107    HB1  ALA  13           HB1      ALA  13   0.250   4.091   2.654
  108    HB2  ALA  13           HB2      ALA  13   1.039   4.080   1.077
  109    HB3  ALA  13           HB3      ALA  13  -0.262   5.224   1.402
  110    H    LEU  14           HN       LEU  14   3.427   4.421   1.132
  111    HA   LEU  14           HA       LEU  14   4.543   3.115   3.375
  112    HB2  LEU  14           HB2      LEU  14   5.449   3.369   0.527
  113    HB3  LEU  14           HB1      LEU  14   6.526   2.689   1.728
  114    HG   LEU  14           HG       LEU  14   4.846   0.933   2.202
  115   HD11  LEU  14          HD11      LEU  14   3.356   2.055  -0.151
  116   HD12  LEU  14          HD12      LEU  14   2.833   2.044   1.540
  117   HD13  LEU  14          HD13      LEU  14   3.023   0.522   0.669
  118   HD21  LEU  14          HD21      LEU  14   5.727   1.127  -0.664
  119   HD22  LEU  14          HD22      LEU  14   5.212  -0.346   0.157
  120   HD23  LEU  14          HD23      LEU  14   6.670   0.496   0.684
  121    H    VAL  15           HN       VAL  15   5.155   6.184   1.986
  122    HA   VAL  15           HA       VAL  15   7.683   6.673   3.214
  123    HB   VAL  15           HB       VAL  15   5.512   8.680   2.473
  124   HG11  VAL  15          HG11      VAL  15   7.098   9.636   4.055
  125   HG12  VAL  15          HG12      VAL  15   7.308  10.354   2.454
  126   HG13  VAL  15          HG13      VAL  15   8.443   9.134   3.029
  127   HG21  VAL  15          HG21      VAL  15   7.936   7.784   0.922
  128   HG22  VAL  15          HG22      VAL  15   6.818   9.076   0.460
  129   HG23  VAL  15          HG23      VAL  15   6.246   7.411   0.560
  130    H    GLU  16           HN       GLU  16   4.348   7.279   4.163
  131    HA   GLU  16           HA       GLU  16   4.890   8.602   6.564
  132    HB2  GLU  16           HB2      GLU  16   2.443   7.086   5.694
  133    HB3  GLU  16           HB1      GLU  16   2.534   8.092   7.137
  134    HG2  GLU  16           HG2      GLU  16   2.965   8.999   4.317
  135    HG3  GLU  16           HG1      GLU  16   1.528   9.312   5.281
  136    H    SER  17           HN       SER  17   4.250   5.151   5.949
  137    HA   SER  17           HA       SER  17   4.327   4.556   8.689
  138    HB2  SER  17           HB2      SER  17   4.539   2.166   7.699
  139    HB3  SER  17           HB1      SER  17   3.048   3.082   7.470
  140    HG   SER  17           HG       SER  17   4.008   2.032   5.595
  141    H    ALA  18           HN       ALA  18   6.758   4.697   6.226
  142    HA   ALA  18           HA       ALA  18   8.759   3.372   7.801
  143    HB1  ALA  18           HB1      ALA  18  10.337   4.156   6.097
  144    HB2  ALA  18           HB2      ALA  18   9.082   5.182   5.401
  145    HB3  ALA  18           HB3      ALA  18   8.916   3.427   5.347
  146    H    GLY  19           HN       GLY  19   8.268   6.730   6.798
  147    HA2  GLY  19           HA2      GLY  19   8.411   8.548   8.284
  148    HA3  GLY  19           HA1      GLY  19   9.486   7.595   9.306
  149    H    GLU  20           HN       GLU  20  11.370   8.477   9.304
  150    HA   GLU  20           HA       GLU  20  12.366   9.849   6.938
  151    HB2  GLU  20           HB2      GLU  20  13.359   9.766   9.784
  152    HB3  GLU  20           HB1      GLU  20  14.270  10.513   8.486
  153    HG2  GLU  20           HG2      GLU  20  13.077  12.180   9.758
  154    HG3  GLU  20           HG1      GLU  20  12.442  12.101   8.119
  155    H    THR  21           HN       THR  21  12.298   6.789   7.527
  156    HA   THR  21           HA       THR  21  15.092   6.150   7.249
  157    HB   THR  21           HB       THR  21  14.001   3.841   6.963
  158    HG1  THR  21           HG1      THR  21  11.952   3.748   8.070
  159   HG21  THR  21          HG21      THR  21  15.378   4.471   8.872
  160   HG22  THR  21          HG22      THR  21  13.970   3.577   9.447
  161   HG23  THR  21          HG23      THR  21  14.023   5.333   9.599
  162    H    ASP  22           HN       ASP  22  13.679   7.576   5.267
  163    HA   ASP  22           HA       ASP  22  13.752   7.969   3.027
  164    HB2  ASP  22           HB2      ASP  22  15.495   5.503   2.924
  165    HB3  ASP  22           HB1      ASP  22  15.155   6.521   1.533
  166    H    GLY  23           HN       GLY  23  13.375   4.477   3.388
  167    HA2  GLY  23           HA2      GLY  23  11.649   3.112   2.564
  168    HA3  GLY  23           HA1      GLY  23  10.864   4.558   1.923
  169    H    THR  24           HN       THR  24  14.176   4.085   1.308
  170    HA   THR  24           HA       THR  24  15.451   3.949  -0.426
  171    HB   THR  24           HB       THR  24  15.159   2.202  -2.058
  172    HG1  THR  24           HG1      THR  24  12.474   2.324  -1.251
  173   HG21  THR  24          HG21      THR  24  15.882   1.489   0.146
  174   HG22  THR  24          HG22      THR  24  14.870   0.244  -0.590
  175   HG23  THR  24          HG23      THR  24  14.203   1.302   0.653
  176    H    ASP  25           HN       ASP  25  15.151   3.836  -3.185
  177    HA   ASP  25           HA       ASP  25  13.847   6.364  -3.593
  178    HB2  ASP  25           HB2      ASP  25  14.804   6.363  -5.867
  179    HB3  ASP  25           HB1      ASP  25  16.046   6.033  -4.679
  180    H    LEU  26           HN       LEU  26  11.809   6.415  -3.815
  181    HA   LEU  26           HA       LEU  26  10.419   4.096  -5.048
  182    HB2  LEU  26           HB2      LEU  26  10.324   4.702  -2.466
  183    HB3  LEU  26           HB1      LEU  26   9.155   5.881  -3.020
  184    HG   LEU  26           HG       LEU  26   7.831   4.017  -4.012
  185   HD11  LEU  26          HD11      LEU  26   8.357   1.733  -3.302
  186   HD12  LEU  26          HD12      LEU  26   9.835   2.315  -2.531
  187   HD13  LEU  26          HD13      LEU  26   9.654   2.422  -4.280
  188   HD21  LEU  26          HD21      LEU  26   7.277   4.939  -1.814
  189   HD22  LEU  26          HD22      LEU  26   8.412   3.819  -1.053
  190   HD23  LEU  26          HD23      LEU  26   6.971   3.203  -1.870
  191    H    SER  27           HN       SER  27  11.359   6.793  -6.077
  192    HA   SER  27           HA       SER  27   9.029   8.292  -6.671
  193    HB2  SER  27           HB2      SER  27  11.718   8.255  -8.033
  194    HB3  SER  27           HB1      SER  27  10.496   9.524  -8.181
  195    HG   SER  27           HG       SER  27  10.680   9.887  -5.971
  196    H    GLY  28           HN       GLY  28   7.809   8.340  -8.510
  197    HA2  GLY  28           HA2      GLY  28   7.028   7.712 -10.601
  198    HA3  GLY  28           HA1      GLY  28   8.393   6.611 -10.760
  199    H    ASP  29           HN       ASP  29   6.897   5.032 -11.530
  200    HA   ASP  29           HA       ASP  29   5.015   4.021  -9.581
  201    HB2  ASP  29           HB2      ASP  29   4.296   2.411 -11.267
  202    HB3  ASP  29           HB1      ASP  29   4.385   4.002 -12.003
  203    H    PHE  30           HN       PHE  30   5.290   2.283  -8.364
  204    HA   PHE  30           HA       PHE  30   7.857   0.887  -8.610
  205    HB2  PHE  30           HB2      PHE  30   8.109   0.901  -6.194
  206    HB3  PHE  30           HB1      PHE  30   7.920   2.551  -6.762
  207    HD1  PHE  30           HD1      PHE  30   5.545   3.557  -6.548
  208    HD2  PHE  30           HD2      PHE  30   6.835   0.100  -4.416
  209    HE1  PHE  30           HE1      PHE  30   3.739   3.910  -4.928
  210    HE2  PHE  30           HE2      PHE  30   5.033   0.444  -2.777
  211    HZ   PHE  30           HZ       PHE  30   3.563   2.286  -2.925
  212    H    LEU  31           HN       LEU  31   5.084   0.308  -9.434
  213    HA   LEU  31           HA       LEU  31   3.801  -1.515  -7.763
  214    HB2  LEU  31           HB2      LEU  31   3.717  -1.399 -10.756
  215    HB3  LEU  31           HB1      LEU  31   2.668  -2.390  -9.769
  216    HG   LEU  31           HG       LEU  31   2.703   0.592 -10.055
  217   HD11  LEU  31          HD11      LEU  31   1.442  -0.667 -11.666
  218   HD12  LEU  31          HD12      LEU  31   0.334   0.190 -10.580
  219   HD13  LEU  31          HD13      LEU  31   0.629  -1.540 -10.372
  220   HD21  LEU  31          HD21      LEU  31   2.539   0.127  -7.645
  221   HD22  LEU  31          HD22      LEU  31   1.223  -1.004  -7.953
  222   HD23  LEU  31          HD23      LEU  31   0.999   0.711  -8.282
  223    H    ASP  32           HN       ASP  32   6.476  -2.075  -9.928
  224    HA   ASP  32           HA       ASP  32   6.234  -4.960  -9.474
  225    HB2  ASP  32           HB2      ASP  32   7.795  -5.330 -11.199
  226    HB3  ASP  32           HB1      ASP  32   6.799  -4.001 -11.768
  227    H    LEU  33           HN       LEU  33   7.645  -2.395  -7.945
  228    HA   LEU  33           HA       LEU  33   9.999  -3.818  -7.040
  229    HB2  LEU  33           HB2      LEU  33   8.787  -1.237  -5.993
  230    HB3  LEU  33           HB1      LEU  33  10.351  -1.884  -5.553
  231    HG   LEU  33           HG       LEU  33   9.545  -0.728  -8.220
  232   HD11  LEU  33          HD11      LEU  33  11.538   0.178  -6.150
  233   HD12  LEU  33          HD12      LEU  33   9.986   0.938  -6.500
  234   HD13  LEU  33          HD13      LEU  33  11.261   0.938  -7.715
  235   HD21  LEU  33          HD21      LEU  33  11.031  -2.622  -8.563
  236   HD22  LEU  33          HD22      LEU  33  12.168  -1.956  -7.392
  237   HD23  LEU  33          HD23      LEU  33  11.856  -1.103  -8.908
  238    H    ARG  34           HN       ARG  34   9.696  -5.410  -5.680
  239    HA   ARG  34           HA       ARG  34   7.158  -5.791  -4.409
  240    HB2  ARG  34           HB2      ARG  34   9.721  -7.233  -3.793
  241    HB3  ARG  34           HB1      ARG  34   8.088  -7.780  -3.479
  242    HG2  ARG  34           HG2      ARG  34   7.706  -7.916  -5.910
  243    HG3  ARG  34           HG1      ARG  34   9.400  -7.467  -6.162
  244    HD2  ARG  34           HD2      ARG  34   8.334  -9.900  -4.761
  245    HD3  ARG  34           HD1      ARG  34   9.233  -9.840  -6.276
  246    HE   ARG  34           HE       ARG  34  11.154  -9.162  -5.039
  247   HH11  ARG  34          HH11      ARG  34   8.432 -10.409  -3.104
  248   HH12  ARG  34          HH12      ARG  34   9.353 -10.941  -1.787
  249   HH21  ARG  34          HH21      ARG  34  12.492  -9.881  -3.201
  250   HH22  ARG  34          HH22      ARG  34  11.775 -10.691  -1.882
  251    H    PHE  35           HN       PHE  35   6.789  -5.932  -2.159
  252    HA   PHE  35           HA       PHE  35   7.810  -3.707  -0.769
  253    HB2  PHE  35           HB2      PHE  35   6.355  -6.052   0.495
  254    HB3  PHE  35           HB1      PHE  35   6.502  -4.400   1.089
  255    HD1  PHE  35           HD1      PHE  35   5.498  -2.532  -0.366
  256    HD2  PHE  35           HD2      PHE  35   4.506  -6.646  -0.691
  257    HE1  PHE  35           HE1      PHE  35   3.358  -1.936  -1.439
  258    HE2  PHE  35           HE2      PHE  35   2.384  -6.062  -1.761
  259    HZ   PHE  35           HZ       PHE  35   1.804  -3.746  -2.140
  260    H    GLU  36           HN       GLU  36   8.376  -7.182  -0.434
  261    HA   GLU  36           HA       GLU  36  10.196  -7.090   1.680
  262    HB2  GLU  36           HB2      GLU  36  10.129  -9.069  -0.596
  263    HB3  GLU  36           HB1      GLU  36  10.984  -9.288   0.921
  264    HG2  GLU  36           HG2      GLU  36   8.825  -9.189   2.108
  265    HG3  GLU  36           HG1      GLU  36   8.008  -9.067   0.548
  266    H    ASP  37           HN       ASP  37  10.636  -6.128  -1.572
  267    HA   ASP  37           HA       ASP  37  13.514  -6.453  -1.532
  268    HB2  ASP  37           HB2      ASP  37  12.226  -6.774  -3.633
  269    HB3  ASP  37           HB1      ASP  37  11.774  -5.074  -3.594
  270    H    ILE  38           HN       ILE  38  11.173  -3.949  -0.932
  271    HA   ILE  38           HA       ILE  38  13.321  -1.980  -0.776
  272    HB   ILE  38           HB       ILE  38  11.563  -0.252  -0.506
  273   HG12  ILE  38          HG12      ILE  38   9.645  -2.560  -0.940
  274   HG13  ILE  38          HG11      ILE  38   9.838  -1.653   0.553
  275   HG21  ILE  38          HG21      ILE  38  12.428  -0.754  -2.710
  276   HG22  ILE  38          HG22      ILE  38  10.712  -0.345  -2.791
  277   HG23  ILE  38          HG23      ILE  38  11.222  -2.032  -2.911
  278   HD11  ILE  38          HD11      ILE  38   8.832  -0.563  -2.065
  279   HD12  ILE  38          HD12      ILE  38   9.024   0.358  -0.573
  280   HD13  ILE  38          HD13      ILE  38   7.852  -0.957  -0.652
  281    H    GLY  39           HN       GLY  39  12.539  -4.174   1.211
  282    HA2  GLY  39           HA2      GLY  39  13.067  -4.360   3.463
  283    HA3  GLY  39           HA1      GLY  39  13.240  -2.611   3.532
  284    H    TYR  40           HN       TYR  40  10.380  -4.209   2.318
  285    HA   TYR  40           HA       TYR  40   8.990  -3.326   4.713
  286    HB2  TYR  40           HB2      TYR  40   8.391  -2.904   1.890
  287    HB3  TYR  40           HB1      TYR  40   7.032  -3.561   2.799
  288    HD1  TYR  40           HD2      TYR  40   9.561  -0.892   2.811
  289    HD2  TYR  40           HD1      TYR  40   5.738  -2.156   4.162
  290    HE1  TYR  40           HE2      TYR  40   9.129   1.352   3.623
  291    HE2  TYR  40           HE1      TYR  40   5.267   0.096   4.973
  292    HH   TYR  40           HH       TYR  40   6.611   2.199   5.652
  293    H    ASP  41           HN       ASP  41   8.744  -4.989   5.919
  294    HA   ASP  41           HA       ASP  41   8.154  -7.601   4.806
  295    HB2  ASP  41           HB2      ASP  41   8.163  -6.671   7.689
  296    HB3  ASP  41           HB1      ASP  41   7.971  -8.328   7.161
  297    H    SER  42           HN       SER  42   6.176  -8.748   5.428
  298    HA   SER  42           HA       SER  42   3.926  -7.339   4.801
  299    HB2  SER  42           HB2      SER  42   2.669  -9.320   5.604
  300    HB3  SER  42           HB1      SER  42   4.001  -9.658   4.500
  301    HG   SER  42           HG       SER  42   3.650 -10.886   6.633
  302    H    LEU  43           HN       LEU  43   5.317  -7.753   7.971
  303    HA   LEU  43           HA       LEU  43   3.061  -6.964   9.494
  304    HB2  LEU  43           HB2      LEU  43   5.034  -7.993  10.524
  305    HB3  LEU  43           HB1      LEU  43   6.000  -6.593  10.105
  306    HG   LEU  43           HG       LEU  43   4.593  -5.216  11.623
  307   HD11  LEU  43          HD11      LEU  43   2.559  -6.532  11.570
  308   HD12  LEU  43          HD12      LEU  43   3.123  -6.317  13.226
  309   HD13  LEU  43          HD13      LEU  43   3.374  -7.856  12.401
  310   HD21  LEU  43          HD21      LEU  43   6.709  -6.135  12.404
  311   HD22  LEU  43          HD22      LEU  43   5.895  -7.621  12.897
  312   HD23  LEU  43          HD23      LEU  43   5.521  -6.100  13.709
  313    H    ALA  44           HN       ALA  44   5.828  -5.063   8.317
  314    HA   ALA  44           HA       ALA  44   4.905  -2.526   9.103
  315    HB1  ALA  44           HB1      ALA  44   7.223  -2.953   8.432
  316    HB2  ALA  44           HB2      ALA  44   6.519  -1.646   7.478
  317    HB3  ALA  44           HB3      ALA  44   6.690  -3.258   6.780
  318    H    LEU  45           HN       LEU  45   4.430  -4.455   6.250
  319    HA   LEU  45           HA       LEU  45   3.148  -2.582   4.622
  320    HB2  LEU  45           HB2      LEU  45   4.043  -4.719   3.829
  321    HB3  LEU  45           HB1      LEU  45   2.836  -5.569   4.759
  322    HG   LEU  45           HG       LEU  45   1.068  -4.712   3.324
  323   HD11  LEU  45          HD11      LEU  45   3.309  -3.389   1.807
  324   HD12  LEU  45          HD12      LEU  45   2.082  -2.555   2.767
  325   HD13  LEU  45          HD13      LEU  45   1.617  -3.450   1.312
  326   HD21  LEU  45          HD21      LEU  45   2.189  -6.783   2.750
  327   HD22  LEU  45          HD22      LEU  45   3.392  -5.877   1.830
  328   HD23  LEU  45          HD23      LEU  45   1.707  -5.905   1.296
  329    H    MET  46           HN       MET  46   1.806  -4.938   6.929
  330    HA   MET  46           HA       MET  46  -0.921  -4.291   6.527
  331    HB2  MET  46           HB2      MET  46   0.275  -5.223   9.153
  332    HB3  MET  46           HB1      MET  46  -1.407  -5.263   8.613
  333    HG2  MET  46           HG2      MET  46  -0.979  -6.961   7.052
  334    HG3  MET  46           HG1      MET  46   0.768  -6.782   7.234
  335    HE1  MET  46           HE1      MET  46  -0.477  -9.617   7.332
  336    HE2  MET  46           HE2      MET  46   0.316 -10.304   8.748
  337    HE3  MET  46           HE3      MET  46   1.226  -9.287   7.631
  338    H    GLU  47           HN       GLU  47   1.525  -2.961   8.665
  339    HA   GLU  47           HA       GLU  47  -0.102  -1.262  10.223
  340    HB2  GLU  47           HB2      GLU  47   2.337  -2.012  10.567
  341    HB3  GLU  47           HB1      GLU  47   2.777  -0.791   9.401
  342    HG2  GLU  47           HG2      GLU  47   1.330  -0.137  11.955
  343    HG3  GLU  47           HG1      GLU  47   3.075  -0.270  11.874
  344    H    THR  48           HN       THR  48   1.370  -0.956   7.175
  345    HA   THR  48           HA       THR  48   1.026   1.850   6.680
  346    HB   THR  48           HB       THR  48   1.437  -0.451   4.731
  347    HG1  THR  48           HG1      THR  48   3.173  -0.256   6.265
  348   HG21  THR  48          HG21      THR  48   0.619   1.598   3.648
  349   HG22  THR  48          HG22      THR  48   2.298   1.286   3.210
  350   HG23  THR  48          HG23      THR  48   1.913   2.522   4.410
  351    H    ALA  49           HN       ALA  49  -0.462  -1.086   5.386
  352    HA   ALA  49           HA       ALA  49  -2.624   0.030   4.048
  353    HB1  ALA  49           HB1      ALA  49  -3.550  -2.229   4.102
  354    HB2  ALA  49           HB2      ALA  49  -2.405  -2.680   5.359
  355    HB3  ALA  49           HB3      ALA  49  -1.824  -2.266   3.746
  356    H    ALA  50           HN       ALA  50  -2.220  -0.824   7.427
  357    HA   ALA  50           HA       ALA  50  -4.752  -0.795   8.237
  358    HB1  ALA  50           HB1      ALA  50  -3.955  -0.297  10.496
  359    HB2  ALA  50           HB2      ALA  50  -2.384   0.151   9.822
  360    HB3  ALA  50           HB3      ALA  50  -2.969  -1.510   9.675
  361    H    ARG  51           HN       ARG  51  -2.518   1.840   7.846
  362    HA   ARG  51           HA       ARG  51  -4.058   3.962   8.924
  363    HB2  ARG  51           HB2      ARG  51  -1.908   4.059   6.799
  364    HB3  ARG  51           HB1      ARG  51  -2.473   5.415   7.768
  365    HG2  ARG  51           HG2      ARG  51  -1.598   4.360   9.774
  366    HG3  ARG  51           HG1      ARG  51  -1.075   2.968   8.823
  367    HD2  ARG  51           HD2      ARG  51   0.363   4.469   7.500
  368    HD3  ARG  51           HD1      ARG  51  -0.114   5.803   8.552
  369    HE   ARG  51           HE       ARG  51   1.082   3.451   9.797
  370   HH11  ARG  51          HH11      ARG  51   1.381   6.863   8.894
  371   HH12  ARG  51          HH12      ARG  51   2.889   7.096   9.610
  372   HH21  ARG  51          HH21      ARG  51   3.108   3.673  10.737
  373   HH22  ARG  51          HH22      ARG  51   3.943   5.170  10.774
  374    H    LEU  52           HN       LEU  52  -3.665   2.552   5.749
  375    HA   LEU  52           HA       LEU  52  -5.207   4.384   4.281
  376    HB2  LEU  52           HB2      LEU  52  -4.557   1.484   3.783
  377    HB3  LEU  52           HB1      LEU  52  -5.230   2.572   2.585
  378    HG   LEU  52           HG       LEU  52  -2.543   2.926   3.918
  379   HD11  LEU  52          HD11      LEU  52  -1.598   2.300   1.758
  380   HD12  LEU  52          HD12      LEU  52  -3.217   1.956   1.146
  381   HD13  LEU  52          HD13      LEU  52  -2.542   0.985   2.458
  382   HD21  LEU  52          HD21      LEU  52  -3.846   4.389   1.629
  383   HD22  LEU  52          HD22      LEU  52  -2.196   4.646   2.196
  384   HD23  LEU  52          HD23      LEU  52  -3.566   5.033   3.244
  385    H    GLU  53           HN       GLU  53  -5.956   1.324   5.882
  386    HA   GLU  53           HA       GLU  53  -8.658   1.040   5.298
  387    HB2  GLU  53           HB2      GLU  53  -7.252   0.483   7.913
  388    HB3  GLU  53           HB1      GLU  53  -8.882  -0.027   7.537
  389    HG2  GLU  53           HG2      GLU  53  -7.983  -1.429   5.731
  390    HG3  GLU  53           HG1      GLU  53  -6.352  -0.937   6.204
  391    H    SER  54           HN       SER  54  -7.144   2.653   8.044
  392    HA   SER  54           HA       SER  54  -9.534   3.607   9.170
  393    HB2  SER  54           HB2      SER  54  -7.355   3.338  10.387
  394    HB3  SER  54           HB1      SER  54  -6.765   4.774   9.559
  395    HG   SER  54           HG       SER  54  -7.839   5.972  10.914
  396    H    ARG  55           HN       ARG  55  -7.203   5.228   7.014
  397    HA   ARG  55           HA       ARG  55  -8.446   7.735   7.084
  398    HB2  ARG  55           HB2      ARG  55  -6.185   7.585   6.308
  399    HB3  ARG  55           HB1      ARG  55  -6.649   6.529   4.982
  400    HG2  ARG  55           HG2      ARG  55  -7.913   8.350   3.955
  401    HG3  ARG  55           HG1      ARG  55  -7.493   9.410   5.300
  402    HD2  ARG  55           HD2      ARG  55  -5.189   9.373   4.699
  403    HD3  ARG  55           HD1      ARG  55  -5.462   8.087   3.521
  404    HE   ARG  55           HE       ARG  55  -7.085  10.193   2.748
  405   HH11  ARG  55          HH11      ARG  55  -3.598   9.831   3.241
  406   HH12  ARG  55          HH12      ARG  55  -3.172  10.843   1.947
  407   HH21  ARG  55          HH21      ARG  55  -6.554  11.484   0.987
  408   HH22  ARG  55          HH22      ARG  55  -4.926  11.755   0.513
  409    H    TYR  56           HN       TYR  56  -8.866   5.090   4.741
  410    HA   TYR  56           HA       TYR  56 -10.785   6.784   3.355
  411    HB2  TYR  56           HB2      TYR  56  -9.409   4.254   2.561
  412    HB3  TYR  56           HB1      TYR  56 -10.753   4.912   1.638
  413    HD1  TYR  56           HD2      TYR  56  -7.253   5.374   2.596
  414    HD2  TYR  56           HD1      TYR  56 -10.520   6.962   0.395
  415    HE1  TYR  56           HE2      TYR  56  -5.721   6.870   1.394
  416    HE2  TYR  56           HE1      TYR  56  -9.000   8.457  -0.809
  417    HH   TYR  56           HH       TYR  56  -6.874   9.442  -0.510
  418    H    GLY  57           HN       GLY  57 -10.987   4.462   5.722
  419    HA2  GLY  57           HA2      GLY  57 -12.892   3.584   6.665
  420    HA3  GLY  57           HA1      GLY  57 -13.833   4.392   5.413
  421    H    VAL  58           HN       VAL  58 -11.320   1.950   5.396
  422    HA   VAL  58           HA       VAL  58 -13.158   0.047   4.216
  423    HB   VAL  58           HB       VAL  58 -11.883   1.208   2.334
  424   HG11  VAL  58          HG11      VAL  58  -9.805   1.656   3.400
  425   HG12  VAL  58          HG12      VAL  58  -9.531   0.682   1.956
  426   HG13  VAL  58          HG13      VAL  58  -9.465  -0.067   3.555
  427   HG21  VAL  58          HG21      VAL  58 -11.226  -0.830   1.114
  428   HG22  VAL  58          HG22      VAL  58 -12.778  -1.016   1.929
  429   HG23  VAL  58          HG23      VAL  58 -11.329  -1.749   2.617
  430    H    SER  59           HN       SER  59 -11.760  -2.184   4.170
  431    HA   SER  59           HA       SER  59  -9.885  -2.145   6.355
  432    HB2  SER  59           HB2      SER  59 -12.163  -2.667   7.311
  433    HB3  SER  59           HB1      SER  59 -12.206  -4.096   6.278
  434    HG   SER  59           HG       SER  59  -9.957  -3.709   7.872
  435    H    ILE  60           HN       ILE  60  -8.421  -3.781   6.252
  436    HA   ILE  60           HA       ILE  60  -8.447  -5.481   3.849
  437    HB   ILE  60           HB       ILE  60  -6.031  -3.994   4.940
  438   HG12  ILE  60          HG12      ILE  60  -7.475  -3.469   2.332
  439   HG13  ILE  60          HG11      ILE  60  -7.682  -2.494   3.783
  440   HG21  ILE  60          HG21      ILE  60  -6.355  -5.704   2.470
  441   HG22  ILE  60          HG22      ILE  60  -5.466  -6.133   3.931
  442   HG23  ILE  60          HG23      ILE  60  -4.898  -4.812   2.909
  443   HD11  ILE  60          HD11      ILE  60  -5.348  -1.896   3.735
  444   HD12  ILE  60          HD12      ILE  60  -6.128  -1.468   2.201
  445   HD13  ILE  60          HD13      ILE  60  -5.096  -2.903   2.316
  446    HA   PRO  61           HA       PRO  61  -7.810  -8.252   7.375
  447    HB2  PRO  61           HB2      PRO  61  -7.681 -10.242   5.179
  448    HB3  PRO  61           HB1      PRO  61  -8.718 -10.223   6.611
  449    HG2  PRO  61           HG2      PRO  61  -9.707  -9.693   4.194
  450    HG3  PRO  61           HG1      PRO  61 -10.269  -8.814   5.629
  451    HD2  PRO  61           HD2      PRO  61  -8.360  -7.939   3.502
  452    HD3  PRO  61           HD1      PRO  61  -9.645  -7.017   4.315
  453    H    ASP  62           HN       ASP  62  -5.920  -8.695   8.248
  454    HA   ASP  62           HA       ASP  62  -3.437  -8.152   7.123
  455    HB2  ASP  62           HB2      ASP  62  -2.462  -9.124   9.111
  456    HB3  ASP  62           HB1      ASP  62  -3.901  -8.208   9.546
  457    H    ASP  63           HN       ASP  63  -5.205 -11.135   7.170
  458    HA   ASP  63           HA       ASP  63  -3.046 -12.857   6.497
  459    HB2  ASP  63           HB2      ASP  63  -5.275 -13.598   7.420
  460    HB3  ASP  63           HB1      ASP  63  -5.977 -13.257   5.843
  461    H    VAL  64           HN       VAL  64  -5.301 -10.952   4.640
  462    HA   VAL  64           HA       VAL  64  -4.381 -11.856   2.053
  463    HB   VAL  64           HB       VAL  64  -5.898  -9.307   2.701
  464   HG11  VAL  64          HG11      VAL  64  -5.742 -10.950   0.182
  465   HG12  VAL  64          HG12      VAL  64  -4.976  -9.385   0.469
  466   HG13  VAL  64          HG13      VAL  64  -6.734  -9.509   0.411
  467   HG21  VAL  64          HG21      VAL  64  -7.973 -10.536   2.239
  468   HG22  VAL  64          HG22      VAL  64  -7.130 -11.185   3.646
  469   HG23  VAL  64          HG23      VAL  64  -7.050 -12.033   2.102
  470    H    ALA  65           HN       ALA  65  -3.986  -8.991   4.079
  471    HA   ALA  65           HA       ALA  65  -2.310  -7.487   2.447
  472    HB1  ALA  65           HB1      ALA  65  -2.338  -7.536   5.463
  473    HB2  ALA  65           HB2      ALA  65  -3.438  -6.609   4.442
  474    HB3  ALA  65           HB3      ALA  65  -1.715  -6.239   4.443
  475    H    GLY  66           HN       GLY  66  -1.502 -10.185   4.525
  476    HA2  GLY  66           HA2      GLY  66   1.331  -9.676   4.319
  477    HA3  GLY  66           HA1      GLY  66   0.570 -11.051   5.107
  478    H    ARG  67           HN       ARG  67  -0.853 -10.891   2.173
  479    HA   ARG  67           HA       ARG  67   0.953 -12.925   1.099
  480    HB2  ARG  67           HB2      ARG  67  -1.319 -13.688   1.365
  481    HB3  ARG  67           HB1      ARG  67  -1.943 -12.292   0.501
  482    HG2  ARG  67           HG2      ARG  67  -0.837 -13.101  -1.548
  483    HG3  ARG  67           HG1      ARG  67  -0.293 -14.525  -0.665
  484    HD2  ARG  67           HD2      ARG  67  -2.517 -15.291  -0.366
  485    HD3  ARG  67           HD1      ARG  67  -3.190 -13.760  -0.926
  486    HE   ARG  67           HE       ARG  67  -1.534 -14.924  -2.901
  487   HH11  ARG  67          HH11      ARG  67  -4.722 -15.435  -1.423
  488   HH12  ARG  67          HH12      ARG  67  -5.490 -15.954  -2.835
  489   HH21  ARG  67          HH21      ARG  67  -2.592 -15.562  -4.919
  490   HH22  ARG  67          HH22      ARG  67  -4.246 -15.948  -4.914
  491    H    VAL  68           HN       VAL  68  -0.159  -9.708   0.500
  492    HA   VAL  68           HA       VAL  68   0.267  -9.809  -2.321
  493    HB   VAL  68           HB       VAL  68   0.017  -7.266  -2.217
  494   HG11  VAL  68          HG11      VAL  68  -2.170  -8.978  -1.045
  495   HG12  VAL  68          HG12      VAL  68  -1.827  -8.759  -2.759
  496   HG13  VAL  68          HG13      VAL  68  -2.391  -7.396  -1.791
  497   HG21  VAL  68          HG21      VAL  68   0.709  -6.955   0.121
  498   HG22  VAL  68          HG22      VAL  68  -0.699  -7.884   0.650
  499   HG23  VAL  68          HG23      VAL  68  -0.919  -6.333  -0.160
  500    H    ASP  69           HN       ASP  69   1.973  -9.677  -3.375
  501    HA   ASP  69           HA       ASP  69   4.550  -9.148  -2.082
  502    HB2  ASP  69           HB2      ASP  69   4.247 -11.220  -3.374
  503    HB3  ASP  69           HB1      ASP  69   3.840 -10.264  -4.784
  504    H    THR  70           HN       THR  70   2.770  -8.072  -4.929
  505    HA   THR  70           HA       THR  70   4.752  -5.979  -5.129
  506    HB   THR  70           HB       THR  70   3.930  -5.798  -7.492
  507    HG1  THR  70           HG1      THR  70   2.836  -8.200  -7.785
  508   HG21  THR  70          HG21      THR  70   5.954  -7.045  -6.968
  509   HG22  THR  70          HG22      THR  70   5.050  -7.932  -8.208
  510   HG23  THR  70          HG23      THR  70   4.989  -8.444  -6.512
  511    HA   PRO  71           HA       PRO  71   1.846  -2.835  -3.926
  512    HB2  PRO  71           HB2      PRO  71   3.149  -1.375  -6.179
  513    HB3  PRO  71           HB1      PRO  71   2.854  -0.848  -4.514
  514    HG2  PRO  71           HG2      PRO  71   5.279  -1.585  -5.234
  515    HG3  PRO  71           HG1      PRO  71   4.623  -2.093  -3.667
  516    HD2  PRO  71           HD2      PRO  71   4.932  -3.654  -6.191
  517    HD3  PRO  71           HD1      PRO  71   5.179  -4.169  -4.508
  518    H    ARG  72           HN       ARG  72   2.339  -3.686  -7.275
  519    HA   ARG  72           HA       ARG  72   0.093  -2.622  -8.469
  520    HB2  ARG  72           HB2      ARG  72   1.656  -3.616  -9.897
  521    HB3  ARG  72           HB1      ARG  72   1.728  -5.090  -8.953
  522    HG2  ARG  72           HG2      ARG  72  -0.396  -5.804  -9.808
  523    HG3  ARG  72           HG1      ARG  72  -0.636  -4.257 -10.616
  524    HD2  ARG  72           HD2      ARG  72   0.172  -6.263 -12.012
  525    HD3  ARG  72           HD1      ARG  72   0.966  -4.710 -12.238
  526    HE   ARG  72           HE       ARG  72   2.897  -5.613 -11.553
  527   HH11  ARG  72          HH11      ARG  72   0.406  -7.756 -10.139
  528   HH12  ARG  72          HH12      ARG  72   1.547  -8.979  -9.805
  529   HH21  ARG  72          HH21      ARG  72   4.369  -7.362 -11.081
  530   HH22  ARG  72          HH22      ARG  72   3.839  -8.778 -10.343
  531    H    GLU  73           HN       GLU  73   0.359  -5.806  -6.886
  532    HA   GLU  73           HA       GLU  73  -2.371  -6.443  -7.208
  533    HB2  GLU  73           HB2      GLU  73  -0.433  -7.532  -5.167
  534    HB3  GLU  73           HB1      GLU  73  -1.949  -8.272  -5.664
  535    HG2  GLU  73           HG2      GLU  73   0.494  -7.865  -7.373
  536    HG3  GLU  73           HG1      GLU  73  -0.070  -9.386  -6.691
  537    H    LEU  74           HN       LEU  74  -0.547  -4.922  -4.625
  538    HA   LEU  74           HA       LEU  74  -2.668  -4.942  -2.727
  539    HB2  LEU  74           HB2      LEU  74  -0.325  -4.798  -2.020
  540    HB3  LEU  74           HB1      LEU  74  -0.145  -3.267  -2.831
  541    HG   LEU  74           HG       LEU  74  -0.295  -3.184  -0.268
  542   HD11  LEU  74          HD11      LEU  74  -1.617  -1.205  -0.171
  543   HD12  LEU  74          HD12      LEU  74  -2.253  -1.531  -1.779
  544   HD13  LEU  74          HD13      LEU  74  -0.537  -1.197  -1.563
  545   HD21  LEU  74          HD21      LEU  74  -2.517  -3.274   0.724
  546   HD22  LEU  74          HD22      LEU  74  -2.081  -4.832   0.018
  547   HD23  LEU  74          HD23      LEU  74  -3.199  -3.758  -0.828
  548    H    LEU  75           HN       LEU  75  -1.515  -2.459  -4.968
  549    HA   LEU  75           HA       LEU  75  -3.232  -0.395  -4.239
  550    HB2  LEU  75           HB2      LEU  75  -1.328  -0.171  -5.798
  551    HB3  LEU  75           HB1      LEU  75  -2.197  -1.099  -6.998
  552    HG   LEU  75           HG       LEU  75  -3.914   0.703  -7.075
  553   HD11  LEU  75          HD11      LEU  75  -3.595   1.616  -4.848
  554   HD12  LEU  75          HD12      LEU  75  -3.394   2.872  -6.072
  555   HD13  LEU  75          HD13      LEU  75  -1.979   2.168  -5.290
  556   HD21  LEU  75          HD21      LEU  75  -2.097   0.637  -8.704
  557   HD22  LEU  75          HD22      LEU  75  -1.077   1.578  -7.616
  558   HD23  LEU  75          HD23      LEU  75  -2.529   2.302  -8.310
  559    H    ASP  76           HN       ASP  76  -3.593  -2.943  -6.640
  560    HA   ASP  76           HA       ASP  76  -6.185  -2.269  -7.495
  561    HB2  ASP  76           HB2      ASP  76  -4.677  -3.716  -8.775
  562    HB3  ASP  76           HB1      ASP  76  -4.830  -4.963  -7.541
  563    H    LEU  77           HN       LEU  77  -5.041  -4.397  -4.951
  564    HA   LEU  77           HA       LEU  77  -7.404  -5.676  -4.192
  565    HB2  LEU  77           HB2      LEU  77  -5.053  -6.144  -3.400
  566    HB3  LEU  77           HB1      LEU  77  -5.149  -4.721  -2.405
  567    HG   LEU  77           HG       LEU  77  -6.841  -7.217  -2.027
  568   HD11  LEU  77          HD11      LEU  77  -4.485  -7.638  -1.656
  569   HD12  LEU  77          HD12      LEU  77  -5.371  -7.649  -0.132
  570   HD13  LEU  77          HD13      LEU  77  -4.393  -6.251  -0.572
  571   HD21  LEU  77          HD21      LEU  77  -7.896  -5.190  -1.071
  572   HD22  LEU  77          HD22      LEU  77  -6.410  -4.850  -0.182
  573   HD23  LEU  77          HD23      LEU  77  -7.348  -6.294   0.190
  574    H    ILE  78           HN       ILE  78  -5.935  -2.697  -2.946
  575    HA   ILE  78           HA       ILE  78  -8.082  -1.999  -1.240
  576    HB   ILE  78           HB       ILE  78  -6.083  -0.107  -2.526
  577   HG12  ILE  78          HG12      ILE  78  -5.987  -1.523   0.157
  578   HG13  ILE  78          HG11      ILE  78  -5.058  -1.999  -1.255
  579   HG21  ILE  78          HG21      ILE  78  -8.089   1.047  -1.559
  580   HG22  ILE  78          HG22      ILE  78  -6.633   1.402  -0.650
  581   HG23  ILE  78          HG23      ILE  78  -7.790   0.232  -0.030
  582   HD11  ILE  78          HD11      ILE  78  -3.654  -0.812   0.240
  583   HD12  ILE  78          HD12      ILE  78  -4.785   0.544   0.332
  584   HD13  ILE  78          HD13      ILE  78  -3.926   0.198  -1.174
  585    H    ASN  79           HN       ASN  79  -7.185  -0.952  -4.497
  586    HA   ASN  79           HA       ASN  79  -9.214   0.907  -4.889
  587    HB2  ASN  79           HB2      ASN  79  -7.709  -0.813  -6.855
  588    HB3  ASN  79           HB1      ASN  79  -9.013   0.224  -7.407
  589   HD21  ASN  79          HD21      ASN  79  -6.845   1.163  -4.794
  590   HD22  ASN  79          HD22      ASN  79  -6.024   2.393  -5.696
  591    H    GLY  80           HN       GLY  80  -9.331  -2.577  -5.474
  592    HA2  GLY  80           HA2      GLY  80 -11.974  -2.591  -6.491
  593    HA3  GLY  80           HA1      GLY  80 -11.101  -3.974  -5.848
  594    H    ALA  81           HN       ALA  81 -10.681  -3.239  -3.249
  595    HA   ALA  81           HA       ALA  81 -13.196  -3.915  -2.093
  596    HB1  ALA  81           HB1      ALA  81 -11.057  -4.673  -1.131
  597    HB2  ALA  81           HB2      ALA  81 -12.038  -3.801   0.051
  598    HB3  ALA  81           HB3      ALA  81 -10.669  -3.003  -0.706
  599    H    LEU  82           HN       LEU  82 -11.319  -0.987  -2.252
  600    HA   LEU  82           HA       LEU  82 -12.911   0.500  -0.442
  601    HB2  LEU  82           HB2      LEU  82 -10.484   0.890  -0.958
  602    HB3  LEU  82           HB1      LEU  82 -10.954   1.406  -2.542
  603    HG   LEU  82           HG       LEU  82 -11.880   3.386  -1.778
  604   HD11  LEU  82          HD11      LEU  82 -11.457   2.372   1.057
  605   HD12  LEU  82          HD12      LEU  82 -13.021   2.489   0.256
  606   HD13  LEU  82          HD13      LEU  82 -12.110   3.953   0.622
  607   HD21  LEU  82          HD21      LEU  82  -9.999   4.422  -0.593
  608   HD22  LEU  82          HD22      LEU  82  -9.487   3.375  -1.917
  609   HD23  LEU  82          HD23      LEU  82  -9.361   2.813  -0.251
  610    H    ALA  83           HN       ALA  83 -12.922   0.028  -3.936
  611    HA   ALA  83           HA       ALA  83 -14.839   1.994  -4.576
  612    HB1  ALA  83           HB1      ALA  83 -13.441   0.883  -6.264
  613    HB2  ALA  83           HB2      ALA  83 -15.156   0.756  -6.652
  614    HB3  ALA  83           HB3      ALA  83 -14.300  -0.628  -5.971
  615    H    GLU  84           HN       GLU  84 -15.101  -1.168  -3.200
  616    HA   GLU  84           HA       GLU  84 -17.898  -1.548  -3.722
  617    HB2  GLU  84           HB2      GLU  84 -16.026  -2.969  -1.830
  618    HB3  GLU  84           HB1      GLU  84 -17.689  -3.448  -2.122
  619    HG2  GLU  84           HG2      GLU  84 -15.469  -3.405  -4.149
  620    HG3  GLU  84           HG1      GLU  84 -16.141  -4.832  -3.361
  621    H    ALA  85           HN       ALA  85 -16.085   0.123  -1.357
  622    HA   ALA  85           HA       ALA  85 -18.031  -0.057   0.743
  623    HB1  ALA  85           HB1      ALA  85 -15.654   1.776   0.427
  624    HB2  ALA  85           HB2      ALA  85 -15.650   0.220   1.256
  625    HB3  ALA  85           HB3      ALA  85 -16.602   1.559   1.901
  626    H    ALA  86           HN       ALA  86 -19.610   1.373   1.203
  627    HA   ALA  86           HA       ALA  86 -19.680   3.950  -0.069
  628    HB1  ALA  86           HB1      ALA  86 -20.767   2.524  -1.748
  629    HB2  ALA  86           HB2      ALA  86 -21.940   3.597  -0.986
  630    HB3  ALA  86           HB3      ALA  86 -21.864   1.900  -0.517
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1 -14.899  12.755  -1.917
    2    H2   MET   1           HT2      MET   1 -15.639  12.137  -0.515
    3    H3   MET   1           HT3      MET   1 -16.597  12.684  -1.823
    4    HA   MET   1           HA       MET   1 -16.480  10.292  -1.761
    5    HB2  MET   1           HB2      MET   1 -16.601  11.473  -3.952
    6    HB3  MET   1           HB1      MET   1 -14.846  11.512  -4.011
    7    HG2  MET   1           HG2      MET   1 -14.838   9.035  -4.034
    8    HG3  MET   1           HG1      MET   1 -16.597   9.063  -4.102
    9    HE1  MET   1           HE1      MET   1 -14.011  11.461  -5.859
   10    HE2  MET   1           HE2      MET   1 -13.826  10.674  -7.426
   11    HE3  MET   1           HE3      MET   1 -13.250   9.874  -5.962
   12    H    ALA   2           HN       ALA   2 -15.240   8.461  -1.564
   13    HA   ALA   2           HA       ALA   2 -12.739   8.594  -0.288
   14    HB1  ALA   2           HB1      ALA   2 -12.656   6.161  -0.635
   15    HB2  ALA   2           HB2      ALA   2 -14.002   6.275  -1.770
   16    HB3  ALA   2           HB3      ALA   2 -14.249   6.666  -0.067
   17    H    THR   3           HN       THR   3 -11.039   9.402  -1.221
   18    HA   THR   3           HA       THR   3 -10.609   9.326  -4.075
   19    HB   THR   3           HB       THR   3  -9.866  11.274  -2.708
   20    HG1  THR   3           HG1      THR   3  -7.408  10.444  -3.535
   21   HG21  THR   3          HG21      THR   3  -7.853  11.095  -1.309
   22   HG22  THR   3          HG22      THR   3  -7.839   9.350  -1.565
   23   HG23  THR   3          HG23      THR   3  -9.165  10.100  -0.679
   24    H    LEU   4           HN       LEU   4  -9.757   8.069  -5.247
   25    HA   LEU   4           HA       LEU   4  -9.043   5.506  -4.365
   26    HB2  LEU   4           HB2      LEU   4 -10.032   6.285  -6.624
   27    HB3  LEU   4           HB1      LEU   4  -8.359   6.705  -6.987
   28    HG   LEU   4           HG       LEU   4  -7.744   4.432  -6.437
   29   HD11  LEU   4          HD11      LEU   4  -9.502   2.673  -6.642
   30   HD12  LEU   4          HD12      LEU   4 -10.719   3.951  -6.652
   31   HD13  LEU   4          HD13      LEU   4  -9.703   3.709  -5.227
   32   HD21  LEU   4          HD21      LEU   4  -8.397   3.528  -8.666
   33   HD22  LEU   4          HD22      LEU   4  -7.806   5.187  -8.730
   34   HD23  LEU   4          HD23      LEU   4  -9.537   4.863  -8.830
   35    H    LEU   5           HN       LEU   5  -6.976   4.540  -4.625
   36    HA   LEU   5           HA       LEU   5  -4.741   6.349  -4.149
   37    HB2  LEU   5           HB2      LEU   5  -5.114   3.404  -3.671
   38    HB3  LEU   5           HB1      LEU   5  -3.652   4.301  -3.335
   39    HG   LEU   5           HG       LEU   5  -6.313   4.746  -1.980
   40   HD11  LEU   5          HD11      LEU   5  -5.255   3.680  -0.051
   41   HD12  LEU   5          HD12      LEU   5  -3.811   3.371  -1.016
   42   HD13  LEU   5          HD13      LEU   5  -5.328   2.579  -1.429
   43   HD21  LEU   5          HD21      LEU   5  -3.564   5.843  -1.384
   44   HD22  LEU   5          HD22      LEU   5  -5.020   6.123  -0.428
   45   HD23  LEU   5          HD23      LEU   5  -4.907   6.753  -2.072
   46    H    THR   6           HN       THR   6  -3.409   6.637  -5.854
   47    HA   THR   6           HA       THR   6  -3.196   4.446  -7.762
   48    HB   THR   6           HB       THR   6  -2.064   6.094  -9.250
   49    HG1  THR   6           HG1      THR   6  -2.647   7.971  -7.143
   50   HG21  THR   6          HG21      THR   6  -4.495   5.833  -9.421
   51   HG22  THR   6          HG22      THR   6  -4.019   7.498  -9.753
   52   HG23  THR   6          HG23      THR   6  -4.722   7.077  -8.192
   53    H    THR   7           HN       THR   7  -0.584   4.822  -8.684
   54    HA   THR   7           HA       THR   7   1.006   3.556  -6.790
   55    HB   THR   7           HB       THR   7   1.989   5.355  -9.031
   56    HG1  THR   7           HG1      THR   7   2.072   3.115 -10.049
   57   HG21  THR   7          HG21      THR   7   3.714   4.585  -7.458
   58   HG22  THR   7          HG22      THR   7   3.907   3.831  -9.037
   59   HG23  THR   7          HG23      THR   7   3.194   2.918  -7.706
   60    H    ASP   8           HN       ASP   8   0.862   6.951  -7.742
   61    HA   ASP   8           HA       ASP   8   2.891   8.016  -6.141
   62    HB2  ASP   8           HB2      ASP   8   1.548   9.089  -8.073
   63    HB3  ASP   8           HB1      ASP   8   0.358   9.497  -6.849
   64    H    ASP   9           HN       ASP   9  -0.539   7.602  -5.523
   65    HA   ASP   9           HA       ASP   9  -0.631   8.831  -2.947
   66    HB2  ASP   9           HB2      ASP   9  -2.464   6.695  -4.048
   67    HB3  ASP   9           HB1      ASP   9  -2.777   7.700  -2.645
   68    H    LEU  10           HN       LEU  10  -0.270   5.521  -4.053
   69    HA   LEU  10           HA       LEU  10  -0.482   4.231  -1.562
   70    HB2  LEU  10           HB2      LEU  10  -0.630   3.284  -3.958
   71    HB3  LEU  10           HB1      LEU  10   1.117   3.203  -3.888
   72    HG   LEU  10           HG       LEU  10   0.873   1.770  -1.840
   73   HD11  LEU  10          HD11      LEU  10  -1.313   0.689  -1.507
   74   HD12  LEU  10          HD12      LEU  10  -2.010   1.774  -2.713
   75   HD13  LEU  10          HD13      LEU  10  -1.367   2.426  -1.212
   76   HD21  LEU  10          HD21      LEU  10   0.326  -0.249  -3.117
   77   HD22  LEU  10          HD22      LEU  10   1.370   0.823  -4.048
   78   HD23  LEU  10          HD23      LEU  10  -0.355   0.745  -4.405
   79    H    ARG  11           HN       ARG  11   2.216   5.453  -3.431
   80    HA   ARG  11           HA       ARG  11   4.442   4.598  -2.063
   81    HB2  ARG  11           HB2      ARG  11   4.577   5.941  -4.074
   82    HB3  ARG  11           HB1      ARG  11   3.898   7.325  -3.229
   83    HG2  ARG  11           HG2      ARG  11   5.928   7.214  -1.709
   84    HG3  ARG  11           HG1      ARG  11   6.611   6.081  -2.881
   85    HD2  ARG  11           HD2      ARG  11   7.377   8.336  -3.347
   86    HD3  ARG  11           HD1      ARG  11   6.322   7.768  -4.644
   87    HE   ARG  11           HE       ARG  11   5.412   9.556  -2.481
   88   HH11  ARG  11          HH11      ARG  11   5.535   8.700  -5.920
   89   HH12  ARG  11          HH12      ARG  11   4.401   9.902  -6.380
   90   HH21  ARG  11          HH21      ARG  11   3.854  11.190  -3.138
   91   HH22  ARG  11          HH22      ARG  11   3.391  11.281  -4.768
   92    H    ARG  12           HN       ARG  12   2.505   7.513  -1.414
   93    HA   ARG  12           HA       ARG  12   4.022   8.403   0.751
   94    HB2  ARG  12           HB2      ARG  12   2.407   9.890  -0.346
   95    HB3  ARG  12           HB1      ARG  12   1.078   8.933   0.317
   96    HG2  ARG  12           HG2      ARG  12   1.887   9.431   2.583
   97    HG3  ARG  12           HG1      ARG  12   3.138  10.450   1.887
   98    HD2  ARG  12           HD2      ARG  12   1.419  11.916   0.973
   99    HD3  ARG  12           HD1      ARG  12   0.166  10.871   1.660
  100    HE   ARG  12           HE       ARG  12   1.973  11.574   3.667
  101   HH11  ARG  12          HH11      ARG  12  -0.655  13.113   1.751
  102   HH12  ARG  12          HH12      ARG  12  -0.937  14.284   2.944
  103   HH21  ARG  12          HH21      ARG  12   1.464  13.246   5.254
  104   HH22  ARG  12          HH22      ARG  12   0.218  14.349   4.931
  105    H    ALA  13           HN       ALA  13   1.252   6.236   0.705
  106    HA   ALA  13           HA       ALA  13   0.790   6.138   3.502
  107    HB1  ALA  13           HB1      ALA  13   0.291   4.006   1.428
  108    HB2  ALA  13           HB2      ALA  13  -0.813   5.324   1.824
  109    HB3  ALA  13           HB3      ALA  13  -0.439   4.093   3.030
  110    H    LEU  14           HN       LEU  14   2.910   4.285   1.405
  111    HA   LEU  14           HA       LEU  14   3.829   2.487   3.378
  112    HB2  LEU  14           HB2      LEU  14   5.121   3.490   0.846
  113    HB3  LEU  14           HB1      LEU  14   5.773   2.195   1.825
  114    HG   LEU  14           HG       LEU  14   3.078   2.095   0.455
  115   HD11  LEU  14          HD11      LEU  14   5.702   0.829  -0.297
  116   HD12  LEU  14          HD12      LEU  14   4.935   2.182  -1.131
  117   HD13  LEU  14          HD13      LEU  14   4.155   0.604  -1.117
  118   HD21  LEU  14          HD21      LEU  14   3.199  -0.286   0.970
  119   HD22  LEU  14          HD22      LEU  14   3.253   0.679   2.444
  120   HD23  LEU  14          HD23      LEU  14   4.732  -0.036   1.804
  121    H    VAL  15           HN       VAL  15   4.957   5.623   2.264
  122    HA   VAL  15           HA       VAL  15   7.323   5.840   3.782
  123    HB   VAL  15           HB       VAL  15   5.462   8.080   2.901
  124   HG11  VAL  15          HG11      VAL  15   7.437   9.521   3.010
  125   HG12  VAL  15          HG12      VAL  15   8.389   8.171   3.621
  126   HG13  VAL  15          HG13      VAL  15   7.063   8.825   4.588
  127   HG21  VAL  15          HG21      VAL  15   7.846   6.878   1.497
  128   HG22  VAL  15          HG22      VAL  15   6.940   8.301   0.965
  129   HG23  VAL  15          HG23      VAL  15   6.153   6.725   1.022
  130    H    GLU  16           HN       GLU  16   4.046   6.990   4.441
  131    HA   GLU  16           HA       GLU  16   4.402   8.217   6.927
  132    HB2  GLU  16           HB2      GLU  16   1.992   6.603   6.070
  133    HB3  GLU  16           HB1      GLU  16   2.024   7.870   7.278
  134    HG2  GLU  16           HG2      GLU  16   2.545   8.275   4.348
  135    HG3  GLU  16           HG1      GLU  16   0.988   8.517   5.114
  136    H    SER  17           HN       SER  17   3.623   4.872   6.109
  137    HA   SER  17           HA       SER  17   3.320   4.019   8.802
  138    HB2  SER  17           HB2      SER  17   3.615   2.392   6.295
  139    HB3  SER  17           HB1      SER  17   2.932   1.854   7.837
  140    HG   SER  17           HG       SER  17   1.893   3.570   5.907
  141    H    ALA  18           HN       ALA  18   6.048   4.310   6.693
  142    HA   ALA  18           HA       ALA  18   7.631   2.440   8.240
  143    HB1  ALA  18           HB1      ALA  18   9.454   3.058   6.711
  144    HB2  ALA  18           HB2      ALA  18   8.445   4.322   6.010
  145    HB3  ALA  18           HB3      ALA  18   8.000   2.632   5.807
  146    H    GLY  19           HN       GLY  19   6.680   5.652   8.384
  147    HA2  GLY  19           HA2      GLY  19   7.058   7.085  10.199
  148    HA3  GLY  19           HA1      GLY  19   8.495   6.157  10.616
  149    H    GLU  20           HN       GLU  20  10.208   6.217   8.986
  150    HA   GLU  20           HA       GLU  20  10.364   8.706   7.486
  151    HB2  GLU  20           HB2      GLU  20  11.548   8.893   9.739
  152    HB3  GLU  20           HB1      GLU  20  12.605   7.598   9.197
  153    HG2  GLU  20           HG2      GLU  20  13.673   9.744   8.903
  154    HG3  GLU  20           HG1      GLU  20  13.354   8.999   7.335
  155    H    THR  21           HN       THR  21  10.841   8.122   5.466
  156    HA   THR  21           HA       THR  21  11.908   5.413   5.062
  157    HB   THR  21           HB       THR  21  10.158   7.013   3.206
  158    HG1  THR  21           HG1      THR  21   9.305   6.432   5.395
  159   HG21  THR  21          HG21      THR  21   9.671   4.800   2.239
  160   HG22  THR  21          HG22      THR  21  10.749   4.046   3.415
  161   HG23  THR  21          HG23      THR  21  11.402   5.134   2.192
  162    H    ASP  22           HN       ASP  22  13.725   5.284   3.928
  163    HA   ASP  22           HA       ASP  22  15.162   7.580   3.019
  164    HB2  ASP  22           HB2      ASP  22  15.625   4.626   2.583
  165    HB3  ASP  22           HB1      ASP  22  16.650   5.840   1.829
  166    H    GLY  23           HN       GLY  23  12.907   5.496   1.621
  167    HA2  GLY  23           HA2      GLY  23  11.604   6.647  -0.116
  168    HA3  GLY  23           HA1      GLY  23  13.145   6.927  -0.941
  169    H    THR  24           HN       THR  24  14.369   4.498  -0.518
  170    HA   THR  24           HA       THR  24  14.679   2.594  -1.507
  171    HB   THR  24           HB       THR  24  13.002   0.819  -1.016
  172    HG1  THR  24           HG1      THR  24  11.324   2.879  -0.881
  173   HG21  THR  24          HG21      THR  24  13.617   2.713   1.241
  174   HG22  THR  24          HG22      THR  24  14.681   1.452   0.618
  175   HG23  THR  24          HG23      THR  24  13.174   1.015   1.423
  176    H    ASP  25           HN       ASP  25  13.967   4.546  -3.233
  177    HA   ASP  25           HA       ASP  25  13.341   5.069  -5.290
  178    HB2  ASP  25           HB2      ASP  25  14.932   3.214  -5.758
  179    HB3  ASP  25           HB1      ASP  25  13.576   2.095  -5.823
  180    H    LEU  26           HN       LEU  26  11.231   4.760  -3.508
  181    HA   LEU  26           HA       LEU  26   9.002   3.621  -4.956
  182    HB2  LEU  26           HB2      LEU  26   9.377   4.943  -2.341
  183    HB3  LEU  26           HB1      LEU  26   7.800   5.131  -3.075
  184    HG   LEU  26           HG       LEU  26   7.410   2.769  -3.024
  185   HD11  LEU  26          HD11      LEU  26   9.026   1.177  -2.179
  186   HD12  LEU  26          HD12      LEU  26  10.221   2.461  -1.993
  187   HD13  LEU  26          HD13      LEU  26   9.655   2.007  -3.600
  188   HD21  LEU  26          HD21      LEU  26   7.515   2.337  -0.630
  189   HD22  LEU  26          HD22      LEU  26   6.989   3.987  -0.966
  190   HD23  LEU  26          HD23      LEU  26   8.643   3.678  -0.436
  191    H    SER  27           HN       SER  27  10.729   6.418  -5.181
  192    HA   SER  27           HA       SER  27   8.705   8.273  -5.820
  193    HB2  SER  27           HB2      SER  27  11.585   8.164  -6.705
  194    HB3  SER  27           HB1      SER  27  10.548   9.596  -6.702
  195    HG   SER  27           HG       SER  27  11.858   8.327  -4.629
  196    H    GLY  28           HN       GLY  28   7.553   8.496  -7.662
  197    HA2  GLY  28           HA2      GLY  28   7.135   8.344  -9.950
  198    HA3  GLY  28           HA1      GLY  28   8.459   7.191 -10.090
  199    H    ASP  29           HN       ASP  29   7.681   5.361 -10.789
  200    HA   ASP  29           HA       ASP  29   5.272   4.263  -9.512
  201    HB2  ASP  29           HB2      ASP  29   4.778   4.882 -11.846
  202    HB3  ASP  29           HB1      ASP  29   6.140   3.911 -12.394
  203    H    PHE  30           HN       PHE  30   5.743   2.577  -8.377
  204    HA   PHE  30           HA       PHE  30   8.165   1.032  -9.036
  205    HB2  PHE  30           HB2      PHE  30   8.583   0.788  -6.640
  206    HB3  PHE  30           HB1      PHE  30   8.475   2.490  -7.074
  207    HD1  PHE  30           HD1      PHE  30   6.291   3.715  -6.561
  208    HD2  PHE  30           HD2      PHE  30   7.229  -0.117  -4.963
  209    HE1  PHE  30           HE1      PHE  30   4.603   4.036  -4.805
  210    HE2  PHE  30           HE2      PHE  30   5.546   0.192  -3.207
  211    HZ   PHE  30           HZ       PHE  30   4.222   2.277  -3.131
  212    H    LEU  31           HN       LEU  31   5.258   0.573  -9.655
  213    HA   LEU  31           HA       LEU  31   4.078  -1.296  -7.974
  214    HB2  LEU  31           HB2      LEU  31   3.693  -0.982 -10.933
  215    HB3  LEU  31           HB1      LEU  31   2.714  -2.022  -9.919
  216    HG   LEU  31           HG       LEU  31   2.890   0.987  -9.789
  217   HD11  LEU  31          HD11      LEU  31   1.505   0.084 -11.594
  218   HD12  LEU  31          HD12      LEU  31   0.519   0.850 -10.331
  219   HD13  LEU  31          HD13      LEU  31   0.653  -0.906 -10.398
  220   HD21  LEU  31          HD21      LEU  31   1.342  -0.913  -8.042
  221   HD22  LEU  31          HD22      LEU  31   1.208   0.848  -8.020
  222   HD23  LEU  31          HD23      LEU  31   2.717   0.066  -7.534
  223    H    ASP  32           HN       ASP  32   6.743  -1.886  -9.996
  224    HA   ASP  32           HA       ASP  32   6.255  -4.768 -10.078
  225    HB2  ASP  32           HB2      ASP  32   8.527  -3.109 -11.190
  226    HB3  ASP  32           HB1      ASP  32   8.403  -4.857 -11.343
  227    H    LEU  33           HN       LEU  33   7.846  -2.492  -8.125
  228    HA   LEU  33           HA       LEU  33   9.934  -4.261  -7.219
  229    HB2  LEU  33           HB2      LEU  33   9.114  -1.486  -6.349
  230    HB3  LEU  33           HB1      LEU  33  10.357  -2.398  -5.533
  231    HG   LEU  33           HG       LEU  33  11.406  -0.815  -6.956
  232   HD11  LEU  33          HD11      LEU  33  12.523  -2.925  -6.813
  233   HD12  LEU  33          HD12      LEU  33  12.754  -2.223  -8.413
  234   HD13  LEU  33          HD13      LEU  33  11.604  -3.541  -8.187
  235   HD21  LEU  33          HD21      LEU  33   9.803  -1.958  -9.246
  236   HD22  LEU  33          HD22      LEU  33  11.084  -0.757  -9.396
  237   HD23  LEU  33          HD23      LEU  33   9.601  -0.359  -8.528
  238    H    ARG  34           HN       ARG  34   9.776  -5.609  -5.683
  239    HA   ARG  34           HA       ARG  34   7.237  -5.948  -4.341
  240    HB2  ARG  34           HB2      ARG  34   9.788  -7.485  -3.899
  241    HB3  ARG  34           HB1      ARG  34   8.165  -7.975  -3.438
  242    HG2  ARG  34           HG2      ARG  34   7.576  -8.038  -5.858
  243    HG3  ARG  34           HG1      ARG  34   9.280  -7.737  -6.220
  244    HD2  ARG  34           HD2      ARG  34   8.116 -10.082  -4.734
  245    HD3  ARG  34           HD1      ARG  34   8.848 -10.093  -6.339
  246    HE   ARG  34           HE       ARG  34  10.959  -9.557  -5.282
  247   HH11  ARG  34          HH11      ARG  34   8.380 -10.805  -3.162
  248   HH12  ARG  34          HH12      ARG  34   9.461 -11.490  -2.044
  249   HH21  ARG  34          HH21      ARG  34  12.419 -10.386  -3.632
  250   HH22  ARG  34          HH22      ARG  34  11.770 -11.171  -2.253
  251    H    PHE  35           HN       PHE  35   6.880  -5.820  -2.141
  252    HA   PHE  35           HA       PHE  35   8.167  -3.686  -0.822
  253    HB2  PHE  35           HB2      PHE  35   6.475  -5.786   0.556
  254    HB3  PHE  35           HB1      PHE  35   6.799  -4.133   1.070
  255    HD1  PHE  35           HD1      PHE  35   5.903  -2.230  -0.356
  256    HD2  PHE  35           HD2      PHE  35   4.669  -6.267  -0.757
  257    HE1  PHE  35           HE1      PHE  35   3.838  -1.497  -1.500
  258    HE2  PHE  35           HE2      PHE  35   2.632  -5.547  -1.892
  259    HZ   PHE  35           HZ       PHE  35   2.204  -3.207  -2.267
  260    H    GLU  36           HN       GLU  36   8.442  -7.181  -0.386
  261    HA   GLU  36           HA       GLU  36  10.236  -7.282   1.734
  262    HB2  GLU  36           HB2      GLU  36   9.183  -9.254   0.709
  263    HB3  GLU  36           HB1      GLU  36  10.159  -9.017  -0.734
  264    HG2  GLU  36           HG2      GLU  36  12.188  -9.318   0.706
  265    HG3  GLU  36           HG1      GLU  36  11.102  -9.798   2.010
  266    H    ASP  37           HN       ASP  37  10.749  -6.605  -1.652
  267    HA   ASP  37           HA       ASP  37  13.618  -6.892  -1.533
  268    HB2  ASP  37           HB2      ASP  37  12.378  -7.586  -3.512
  269    HB3  ASP  37           HB1      ASP  37  11.785  -5.950  -3.740
  270    H    ILE  38           HN       ILE  38  11.309  -4.354  -1.226
  271    HA   ILE  38           HA       ILE  38  13.403  -2.352  -1.472
  272    HB   ILE  38           HB       ILE  38  11.642  -0.631  -1.114
  273   HG12  ILE  38          HG12      ILE  38   9.744  -2.988  -1.028
  274   HG13  ILE  38          HG11      ILE  38  10.157  -1.965   0.337
  275   HG21  ILE  38          HG21      ILE  38  10.433  -0.972  -3.224
  276   HG22  ILE  38          HG22      ILE  38  10.978  -2.649  -3.253
  277   HG23  ILE  38          HG23      ILE  38  12.152  -1.336  -3.374
  278   HD11  ILE  38          HD11      ILE  38   8.701  -1.089  -2.150
  279   HD12  ILE  38          HD12      ILE  38   9.079  -0.077  -0.750
  280   HD13  ILE  38          HD13      ILE  38   7.972  -1.435  -0.583
  281    H    GLY  39           HN       GLY  39  12.939  -4.417   0.738
  282    HA2  GLY  39           HA2      GLY  39  13.959  -4.463   2.820
  283    HA3  GLY  39           HA1      GLY  39  14.081  -2.713   2.770
  284    H    TYR  40           HN       TYR  40  10.949  -3.697   2.096
  285    HA   TYR  40           HA       TYR  40  10.050  -2.663   4.631
  286    HB2  TYR  40           HB2      TYR  40   8.792  -3.292   2.035
  287    HB3  TYR  40           HB1      TYR  40   7.772  -3.394   3.459
  288    HD1  TYR  40           HD2      TYR  40  10.448  -1.124   2.302
  289    HD2  TYR  40           HD1      TYR  40   6.458  -1.499   3.694
  290    HE1  TYR  40           HE2      TYR  40  10.245   1.252   2.201
  291    HE2  TYR  40           HE1      TYR  40   6.186   0.937   3.607
  292    HH   TYR  40           HH       TYR  40   8.407   2.996   2.047
  293    H    ASP  41           HN       ASP  41   9.350  -3.739   6.275
  294    HA   ASP  41           HA       ASP  41   9.288  -6.643   6.205
  295    HB2  ASP  41           HB2      ASP  41   8.393  -4.829   8.442
  296    HB3  ASP  41           HB1      ASP  41   8.755  -6.527   8.550
  297    H    SER  42           HN       SER  42   7.418  -7.795   6.331
  298    HA   SER  42           HA       SER  42   5.151  -6.748   5.155
  299    HB2  SER  42           HB2      SER  42   4.031  -8.862   5.881
  300    HB3  SER  42           HB1      SER  42   5.576  -8.987   5.017
  301    HG   SER  42           HG       SER  42   6.620  -9.399   6.940
  302    H    LEU  43           HN       LEU  43   5.929  -6.857   8.567
  303    HA   LEU  43           HA       LEU  43   3.366  -6.233   9.532
  304    HB2  LEU  43           HB2      LEU  43   5.170  -6.994  10.975
  305    HB3  LEU  43           HB1      LEU  43   6.072  -5.529  10.659
  306    HG   LEU  43           HG       LEU  43   4.282  -4.230  11.776
  307   HD11  LEU  43          HD11      LEU  43   3.180  -6.942  12.493
  308   HD12  LEU  43          HD12      LEU  43   2.417  -5.753  11.439
  309   HD13  LEU  43          HD13      LEU  43   2.636  -5.400  13.153
  310   HD21  LEU  43          HD21      LEU  43   6.282  -4.890  12.974
  311   HD22  LEU  43          HD22      LEU  43   5.534  -6.428  13.408
  312   HD23  LEU  43          HD23      LEU  43   4.879  -4.918  14.041
  313    H    ALA  44           HN       ALA  44   6.038  -4.177   8.467
  314    HA   ALA  44           HA       ALA  44   4.790  -1.692   9.013
  315    HB1  ALA  44           HB1      ALA  44   6.446  -0.729   7.487
  316    HB2  ALA  44           HB2      ALA  44   6.867  -2.345   6.919
  317    HB3  ALA  44           HB3      ALA  44   7.204  -1.880   8.588
  318    H    LEU  45           HN       LEU  45   4.786  -3.858   6.298
  319    HA   LEU  45           HA       LEU  45   3.343  -2.291   4.480
  320    HB2  LEU  45           HB2      LEU  45   4.536  -4.346   3.841
  321    HB3  LEU  45           HB1      LEU  45   3.437  -5.282   4.817
  322    HG   LEU  45           HG       LEU  45   1.601  -4.787   3.313
  323   HD11  LEU  45          HD11      LEU  45   2.306  -2.543   2.629
  324   HD12  LEU  45          HD12      LEU  45   2.006  -3.587   1.229
  325   HD13  LEU  45          HD13      LEU  45   3.662  -3.256   1.748
  326   HD21  LEU  45          HD21      LEU  45   2.426  -5.996   1.389
  327   HD22  LEU  45          HD22      LEU  45   3.069  -6.694   2.891
  328   HD23  LEU  45          HD23      LEU  45   4.081  -5.643   1.891
  329    H    MET  46           HN       MET  46   2.307  -4.705   6.875
  330    HA   MET  46           HA       MET  46  -0.462  -4.499   6.456
  331    HB2  MET  46           HB2      MET  46   0.961  -5.178   9.044
  332    HB3  MET  46           HB1      MET  46  -0.757  -5.380   8.679
  333    HG2  MET  46           HG2      MET  46  -0.315  -7.067   7.076
  334    HG3  MET  46           HG1      MET  46   1.418  -6.758   7.136
  335    HE1  MET  46           HE1      MET  46  -1.010  -6.862  10.223
  336    HE2  MET  46           HE2      MET  46  -0.944  -8.567  10.669
  337    HE3  MET  46           HE3      MET  46  -1.690  -8.081   9.148
  338    H    GLU  47           HN       GLU  47   1.720  -2.683   8.524
  339    HA   GLU  47           HA       GLU  47  -0.106  -1.043   9.892
  340    HB2  GLU  47           HB2      GLU  47   2.263  -1.195  10.472
  341    HB3  GLU  47           HB1      GLU  47   2.709  -0.517   8.919
  342    HG2  GLU  47           HG2      GLU  47   2.990   1.109  10.689
  343    HG3  GLU  47           HG1      GLU  47   1.726   1.624   9.576
  344    H    THR  48           HN       THR  48   1.166  -0.927   6.742
  345    HA   THR  48           HA       THR  48   0.540   1.779   6.012
  346    HB   THR  48           HB       THR  48   1.012  -0.656   4.264
  347    HG1  THR  48           HG1      THR  48   2.790   0.044   5.709
  348   HG21  THR  48          HG21      THR  48  -0.130   1.153   3.071
  349   HG22  THR  48          HG22      THR  48   1.529   0.967   2.496
  350   HG23  THR  48          HG23      THR  48   1.117   2.290   3.587
  351    H    ALA  49           HN       ALA  49  -0.701  -1.359   5.125
  352    HA   ALA  49           HA       ALA  49  -3.074  -0.642   3.903
  353    HB1  ALA  49           HB1      ALA  49  -2.089  -2.886   3.817
  354    HB2  ALA  49           HB2      ALA  49  -3.750  -2.961   4.407
  355    HB3  ALA  49           HB3      ALA  49  -2.405  -3.098   5.535
  356    H    ALA  50           HN       ALA  50  -2.345  -1.302   7.310
  357    HA   ALA  50           HA       ALA  50  -4.846  -1.202   8.252
  358    HB1  ALA  50           HB1      ALA  50  -3.909  -0.885  10.476
  359    HB2  ALA  50           HB2      ALA  50  -2.361  -0.446   9.743
  360    HB3  ALA  50           HB3      ALA  50  -3.011  -2.073   9.529
  361    H    ARG  51           HN       ARG  51  -2.506   1.417   7.983
  362    HA   ARG  51           HA       ARG  51  -4.146   3.444   9.094
  363    HB2  ARG  51           HB2      ARG  51  -1.853   3.684   7.143
  364    HB3  ARG  51           HB1      ARG  51  -2.595   5.034   7.992
  365    HG2  ARG  51           HG2      ARG  51  -1.925   4.069  10.122
  366    HG3  ARG  51           HG1      ARG  51  -1.182   2.712   9.270
  367    HD2  ARG  51           HD2      ARG  51   0.311   4.309   8.118
  368    HD3  ARG  51           HD1      ARG  51  -0.432   5.605   9.039
  369    HE   ARG  51           HE       ARG  51   0.665   3.445  10.601
  370   HH11  ARG  51          HH11      ARG  51   0.969   6.740   9.423
  371   HH12  ARG  51          HH12      ARG  51   2.362   7.129  10.323
  372   HH21  ARG  51          HH21      ARG  51   2.591   3.957  11.918
  373   HH22  ARG  51          HH22      ARG  51   3.307   5.490  11.777
  374    H    LEU  52           HN       LEU  52  -3.694   2.251   5.834
  375    HA   LEU  52           HA       LEU  52  -5.358   4.101   4.562
  376    HB2  LEU  52           HB2      LEU  52  -4.568   1.279   3.900
  377    HB3  LEU  52           HB1      LEU  52  -5.501   2.257   2.798
  378    HG   LEU  52           HG       LEU  52  -2.724   2.914   3.795
  379   HD11  LEU  52          HD11      LEU  52  -3.640   1.921   1.105
  380   HD12  LEU  52          HD12      LEU  52  -2.717   1.001   2.295
  381   HD13  LEU  52          HD13      LEU  52  -1.999   2.419   1.522
  382   HD21  LEU  52          HD21      LEU  52  -4.036   4.912   3.304
  383   HD22  LEU  52          HD22      LEU  52  -4.435   4.267   1.710
  384   HD23  LEU  52          HD23      LEU  52  -2.768   4.683   2.100
  385    H    GLU  53           HN       GLU  53  -6.007   1.001   6.129
  386    HA   GLU  53           HA       GLU  53  -8.734   0.780   5.670
  387    HB2  GLU  53           HB2      GLU  53  -7.260   0.120   8.219
  388    HB3  GLU  53           HB1      GLU  53  -8.884  -0.404   7.828
  389    HG2  GLU  53           HG2      GLU  53  -7.943  -1.645   5.901
  390    HG3  GLU  53           HG1      GLU  53  -6.329  -1.208   6.481
  391    H    SER  54           HN       SER  54  -7.081   2.320   8.394
  392    HA   SER  54           HA       SER  54  -9.419   3.294   9.579
  393    HB2  SER  54           HB2      SER  54  -7.892   4.815  10.891
  394    HB3  SER  54           HB1      SER  54  -7.409   3.119  10.893
  395    HG   SER  54           HG       SER  54  -6.193   4.280   8.836
  396    H    ARG  55           HN       ARG  55  -7.359   4.791   7.173
  397    HA   ARG  55           HA       ARG  55  -8.624   7.313   7.271
  398    HB2  ARG  55           HB2      ARG  55  -6.366   7.132   6.505
  399    HB3  ARG  55           HB1      ARG  55  -6.843   6.065   5.197
  400    HG2  ARG  55           HG2      ARG  55  -7.959   7.831   4.065
  401    HG3  ARG  55           HG1      ARG  55  -7.768   8.909   5.448
  402    HD2  ARG  55           HD2      ARG  55  -5.463   7.716   3.933
  403    HD3  ARG  55           HD1      ARG  55  -6.163   9.291   3.557
  404    HE   ARG  55           HE       ARG  55  -5.241   8.815   6.288
  405   HH11  ARG  55          HH11      ARG  55  -4.412  10.096   3.096
  406   HH12  ARG  55          HH12      ARG  55  -3.502  11.400   3.682
  407   HH21  ARG  55          HH21      ARG  55  -3.902  10.651   7.120
  408   HH22  ARG  55          HH22      ARG  55  -3.186  11.681   5.959
  409    H    TYR  56           HN       TYR  56  -9.093   4.522   5.099
  410    HA   TYR  56           HA       TYR  56 -11.137   6.097   3.721
  411    HB2  TYR  56           HB2      TYR  56  -9.715   3.601   2.824
  412    HB3  TYR  56           HB1      TYR  56 -10.968   4.432   1.905
  413    HD1  TYR  56           HD1      TYR  56 -10.569   6.835   1.244
  414    HD2  TYR  56           HD2      TYR  56  -7.475   4.317   2.707
  415    HE1  TYR  56           HE1      TYR  56  -8.896   8.374   0.332
  416    HE2  TYR  56           HE2      TYR  56  -5.790   5.851   1.791
  417    HH   TYR  56           HH       TYR  56  -6.604   8.972   0.778
  418    H    GLY  57           HN       GLY  57 -11.020   3.569   5.987
  419    HA2  GLY  57           HA2      GLY  57 -12.808   2.482   6.948
  420    HA3  GLY  57           HA1      GLY  57 -13.870   3.226   5.755
  421    H    VAL  58           HN       VAL  58 -11.005   1.468   4.969
  422    HA   VAL  58           HA       VAL  58 -12.608  -0.465   3.481
  423    HB   VAL  58           HB       VAL  58 -10.946   0.672   2.103
  424   HG11  VAL  58          HG11      VAL  58  -9.401   1.404   3.814
  425   HG12  VAL  58          HG12      VAL  58  -8.546   0.552   2.527
  426   HG13  VAL  58          HG13      VAL  58  -8.861  -0.256   4.062
  427   HG21  VAL  58          HG21      VAL  58  -9.995  -2.123   2.715
  428   HG22  VAL  58          HG22      VAL  58  -9.604  -1.198   1.264
  429   HG23  VAL  58          HG23      VAL  58 -11.269  -1.679   1.580
  430    H    SER  59           HN       SER  59 -12.575  -2.598   3.965
  431    HA   SER  59           HA       SER  59 -11.250  -3.327   6.459
  432    HB2  SER  59           HB2      SER  59 -13.364  -4.807   4.880
  433    HB3  SER  59           HB1      SER  59 -12.840  -5.151   6.530
  434    HG   SER  59           HG       SER  59 -14.025  -3.553   7.262
  435    H    ILE  60           HN       ILE  60  -9.196  -4.084   6.092
  436    HA   ILE  60           HA       ILE  60  -8.780  -5.772   3.744
  437    HB   ILE  60           HB       ILE  60  -6.738  -4.415   5.534
  438   HG12  ILE  60          HG12      ILE  60  -7.605  -3.748   2.710
  439   HG13  ILE  60          HG11      ILE  60  -8.055  -2.847   4.153
  440   HG21  ILE  60          HG21      ILE  60  -5.864  -6.484   4.561
  441   HG22  ILE  60          HG22      ILE  60  -5.094  -5.082   3.819
  442   HG23  ILE  60          HG23      ILE  60  -6.358  -5.954   2.951
  443   HD11  ILE  60          HD11      ILE  60  -6.253  -1.741   2.953
  444   HD12  ILE  60          HD12      ILE  60  -5.271  -3.205   3.082
  445   HD13  ILE  60          HD13      ILE  60  -5.699  -2.311   4.531
  446    HA   PRO  61           HA       PRO  61  -8.713  -9.205   6.641
  447    HB2  PRO  61           HB2      PRO  61  -8.103 -11.060   4.680
  448    HB3  PRO  61           HB1      PRO  61  -9.746 -10.560   5.090
  449    HG2  PRO  61           HG2      PRO  61  -8.009  -9.705   2.830
  450    HG3  PRO  61           HG1      PRO  61  -9.764  -9.947   2.874
  451    HD2  PRO  61           HD2      PRO  61  -8.605  -7.495   2.935
  452    HD3  PRO  61           HD1      PRO  61 -10.156  -7.851   3.716
  453    H    ASP  62           HN       ASP  62  -7.019  -9.864   7.765
  454    HA   ASP  62           HA       ASP  62  -4.447  -8.887   7.457
  455    HB2  ASP  62           HB2      ASP  62  -5.466 -11.184   9.079
  456    HB3  ASP  62           HB1      ASP  62  -3.763 -10.769   9.065
  457    H    ASP  63           HN       ASP  63  -5.713 -11.899   6.284
  458    HA   ASP  63           HA       ASP  63  -3.201 -13.094   5.701
  459    HB2  ASP  63           HB2      ASP  63  -5.947 -13.621   4.580
  460    HB3  ASP  63           HB1      ASP  63  -4.528 -14.501   4.027
  461    H    VAL  64           HN       VAL  64  -5.403 -11.182   3.766
  462    HA   VAL  64           HA       VAL  64  -3.831 -11.420   1.395
  463    HB   VAL  64           HB       VAL  64  -5.986  -9.376   2.056
  464   HG11  VAL  64          HG11      VAL  64  -4.840 -10.174  -0.624
  465   HG12  VAL  64          HG12      VAL  64  -4.565  -8.645   0.209
  466   HG13  VAL  64          HG13      VAL  64  -6.183  -9.057  -0.362
  467   HG21  VAL  64          HG21      VAL  64  -6.167 -12.001   0.577
  468   HG22  VAL  64          HG22      VAL  64  -7.476 -10.832   0.752
  469   HG23  VAL  64          HG23      VAL  64  -6.833 -11.653   2.174
  470    H    ALA  65           HN       ALA  65  -3.993  -9.215   4.068
  471    HA   ALA  65           HA       ALA  65  -2.475  -7.090   3.096
  472    HB1  ALA  65           HB1      ALA  65  -2.575  -8.117   5.934
  473    HB2  ALA  65           HB2      ALA  65  -3.733  -7.008   5.200
  474    HB3  ALA  65           HB3      ALA  65  -2.058  -6.508   5.432
  475    H    GLY  66           HN       GLY  66  -1.437 -10.273   4.012
  476    HA2  GLY  66           HA2      GLY  66   1.360  -9.378   3.818
  477    HA3  GLY  66           HA1      GLY  66   0.840 -10.841   4.659
  478    H    ARG  67           HN       ARG  67  -0.978 -10.637   1.934
  479    HA   ARG  67           HA       ARG  67   0.739 -12.546   0.503
  480    HB2  ARG  67           HB2      ARG  67  -2.169 -11.818   0.082
  481    HB3  ARG  67           HB1      ARG  67  -1.288 -12.958  -0.907
  482    HG2  ARG  67           HG2      ARG  67  -1.842 -13.280   2.040
  483    HG3  ARG  67           HG1      ARG  67  -2.783 -14.008   0.745
  484    HD2  ARG  67           HD2      ARG  67  -1.330 -15.683   1.554
  485    HD3  ARG  67           HD1      ARG  67  -0.674 -15.158   0.012
  486    HE   ARG  67           HE       ARG  67   0.425 -13.984   2.457
  487   HH11  ARG  67          HH11      ARG  67   0.806 -16.226  -0.248
  488   HH12  ARG  67          HH12      ARG  67   2.476 -16.460  -0.024
  489   HH21  ARG  67          HH21      ARG  67   2.734 -14.297   2.783
  490   HH22  ARG  67          HH22      ARG  67   3.571 -15.364   1.758
  491    H    VAL  68           HN       VAL  68  -0.246  -9.353   0.507
  492    HA   VAL  68           HA       VAL  68   0.065  -8.888  -2.285
  493    HB   VAL  68           HB       VAL  68  -0.059  -6.449  -1.643
  494   HG11  VAL  68          HG11      VAL  68  -2.238  -8.243  -0.573
  495   HG12  VAL  68          HG12      VAL  68  -2.057  -7.702  -2.241
  496   HG13  VAL  68          HG13      VAL  68  -2.427  -6.535  -0.972
  497   HG21  VAL  68          HG21      VAL  68  -0.728  -5.867   0.652
  498   HG22  VAL  68          HG22      VAL  68   0.874  -6.602   0.632
  499   HG23  VAL  68          HG23      VAL  68  -0.523  -7.549   1.140
  500    H    ASP  69           HN       ASP  69   1.940  -9.575  -2.871
  501    HA   ASP  69           HA       ASP  69   4.408  -8.827  -1.524
  502    HB2  ASP  69           HB2      ASP  69   4.224 -11.100  -2.309
  503    HB3  ASP  69           HB1      ASP  69   3.767 -10.555  -3.905
  504    H    THR  70           HN       THR  70   2.740  -8.044  -4.456
  505    HA   THR  70           HA       THR  70   4.816  -6.072  -4.945
  506    HB   THR  70           HB       THR  70   4.003  -6.156  -7.318
  507    HG1  THR  70           HG1      THR  70   2.798  -8.549  -7.228
  508   HG21  THR  70          HG21      THR  70   4.970  -8.415  -7.786
  509   HG22  THR  70          HG22      THR  70   4.923  -8.725  -6.032
  510   HG23  THR  70          HG23      THR  70   5.938  -7.437  -6.675
  511    HA   PRO  71           HA       PRO  71   2.024  -2.761  -3.997
  512    HB2  PRO  71           HB2      PRO  71   2.871  -1.610  -6.605
  513    HB3  PRO  71           HB1      PRO  71   2.851  -0.871  -4.999
  514    HG2  PRO  71           HG2      PRO  71   5.137  -1.664  -6.038
  515    HG3  PRO  71           HG1      PRO  71   4.786  -1.969  -4.326
  516    HD2  PRO  71           HD2      PRO  71   4.698  -3.852  -6.644
  517    HD3  PRO  71           HD1      PRO  71   5.265  -4.130  -4.985
  518    H    ARG  72           HN       ARG  72   1.936  -3.845  -7.341
  519    HA   ARG  72           HA       ARG  72  -0.541  -2.892  -8.094
  520    HB2  ARG  72           HB2      ARG  72  -0.631  -4.805  -9.712
  521    HB3  ARG  72           HB1      ARG  72   0.866  -3.889  -9.749
  522    HG2  ARG  72           HG2      ARG  72   1.945  -5.642  -8.399
  523    HG3  ARG  72           HG1      ARG  72   0.440  -6.558  -8.423
  524    HD2  ARG  72           HD2      ARG  72   2.057  -7.365 -10.104
  525    HD3  ARG  72           HD1      ARG  72   0.561  -6.752 -10.819
  526    HE   ARG  72           HE       ARG  72   1.727  -4.773 -11.471
  527   HH11  ARG  72          HH11      ARG  72   3.904  -7.452 -10.465
  528   HH12  ARG  72          HH12      ARG  72   5.228  -6.828 -11.291
  529   HH21  ARG  72          HH21      ARG  72   3.533  -4.001 -12.642
  530   HH22  ARG  72          HH22      ARG  72   5.016  -4.820 -12.592
  531    H    GLU  73           HN       GLU  73   0.121  -5.823  -6.222
  532    HA   GLU  73           HA       GLU  73  -2.477  -6.928  -6.254
  533    HB2  GLU  73           HB2      GLU  73  -0.309  -7.161  -4.161
  534    HB3  GLU  73           HB1      GLU  73  -1.727  -8.189  -4.279
  535    HG2  GLU  73           HG2      GLU  73   0.407  -7.950  -6.377
  536    HG3  GLU  73           HG1      GLU  73   0.320  -9.218  -5.157
  537    H    LEU  74           HN       LEU  74  -0.797  -4.952  -3.878
  538    HA   LEU  74           HA       LEU  74  -2.955  -4.796  -2.046
  539    HB2  LEU  74           HB2      LEU  74  -0.548  -4.574  -1.429
  540    HB3  LEU  74           HB1      LEU  74  -0.481  -3.052  -2.274
  541    HG   LEU  74           HG       LEU  74  -0.559  -2.899   0.261
  542   HD11  LEU  74          HD11      LEU  74  -2.741  -1.490  -1.192
  543   HD12  LEU  74          HD12      LEU  74  -1.056  -0.984  -1.062
  544   HD13  LEU  74          HD13      LEU  74  -2.071  -1.056   0.379
  545   HD21  LEU  74          HD21      LEU  74  -3.406  -3.790  -0.144
  546   HD22  LEU  74          HD22      LEU  74  -2.715  -3.177   1.360
  547   HD23  LEU  74          HD23      LEU  74  -2.135  -4.698   0.677
  548    H    LEU  75           HN       LEU  75  -1.708  -2.658  -4.539
  549    HA   LEU  75           HA       LEU  75  -3.302  -0.425  -4.146
  550    HB2  LEU  75           HB2      LEU  75  -1.357  -0.673  -5.724
  551    HB3  LEU  75           HB1      LEU  75  -2.408  -1.577  -6.790
  552    HG   LEU  75           HG       LEU  75  -3.848   0.431  -7.010
  553   HD11  LEU  75          HD11      LEU  75  -3.278   1.493  -4.898
  554   HD12  LEU  75          HD12      LEU  75  -2.990   2.577  -6.257
  555   HD13  LEU  75          HD13      LEU  75  -1.633   1.771  -5.471
  556   HD21  LEU  75          HD21      LEU  75  -2.299   1.672  -8.451
  557   HD22  LEU  75          HD22      LEU  75  -2.141  -0.070  -8.677
  558   HD23  LEU  75          HD23      LEU  75  -0.942   0.810  -7.730
  559    H    ASP  76           HN       ASP  76  -3.823  -3.156  -6.366
  560    HA   ASP  76           HA       ASP  76  -6.372  -2.437  -7.248
  561    HB2  ASP  76           HB2      ASP  76  -5.098  -4.057  -8.470
  562    HB3  ASP  76           HB1      ASP  76  -5.047  -5.143  -7.087
  563    H    LEU  77           HN       LEU  77  -5.403  -4.376  -4.487
  564    HA   LEU  77           HA       LEU  77  -7.910  -5.431  -3.765
  565    HB2  LEU  77           HB2      LEU  77  -5.715  -6.212  -2.888
  566    HB3  LEU  77           HB1      LEU  77  -5.535  -4.722  -2.006
  567    HG   LEU  77           HG       LEU  77  -6.101  -6.725  -0.621
  568   HD11  LEU  77          HD11      LEU  77  -6.546  -4.548   0.302
  569   HD12  LEU  77          HD12      LEU  77  -7.796  -5.692   0.795
  570   HD13  LEU  77          HD13      LEU  77  -8.129  -4.513  -0.473
  571   HD21  LEU  77          HD21      LEU  77  -7.596  -7.858  -2.141
  572   HD22  LEU  77          HD22      LEU  77  -8.768  -6.549  -2.003
  573   HD23  LEU  77          HD23      LEU  77  -8.404  -7.560  -0.601
  574    H    ILE  78           HN       ILE  78  -6.274  -2.462  -2.783
  575    HA   ILE  78           HA       ILE  78  -8.519  -1.686  -1.192
  576    HB   ILE  78           HB       ILE  78  -6.050  -0.078  -1.950
  577   HG12  ILE  78          HG12      ILE  78  -6.745  -1.628   0.557
  578   HG13  ILE  78          HG11      ILE  78  -5.598  -2.140  -0.670
  579   HG21  ILE  78          HG21      ILE  78  -8.143   0.440   0.183
  580   HG22  ILE  78          HG22      ILE  78  -7.943   1.370  -1.300
  581   HG23  ILE  78          HG23      ILE  78  -6.677   1.385  -0.074
  582   HD11  ILE  78          HD11      ILE  78  -4.466  -1.253   1.262
  583   HD12  ILE  78          HD12      ILE  78  -5.335   0.275   1.111
  584   HD13  ILE  78          HD13      ILE  78  -4.186  -0.231  -0.135
  585    H    ASN  79           HN       ASN  79  -7.275  -0.899  -4.391
  586    HA   ASN  79           HA       ASN  79  -8.990   1.225  -5.041
  587    HB2  ASN  79           HB2      ASN  79  -7.872  -0.926  -6.853
  588    HB3  ASN  79           HB1      ASN  79  -8.816   0.424  -7.444
  589   HD21  ASN  79          HD21      ASN  79  -7.545   2.244  -5.474
  590   HD22  ASN  79          HD22      ASN  79  -5.965   2.545  -6.142
  591    H    GLY  80           HN       GLY  80  -9.500  -2.258  -5.436
  592    HA2  GLY  80           HA2      GLY  80 -12.045  -2.112  -6.595
  593    HA3  GLY  80           HA1      GLY  80 -11.409  -3.476  -5.688
  594    H    ALA  81           HN       ALA  81 -11.055  -2.191  -3.220
  595    HA   ALA  81           HA       ALA  81 -13.696  -2.381  -2.185
  596    HB1  ALA  81           HB1      ALA  81 -11.190  -1.376  -0.842
  597    HB2  ALA  81           HB2      ALA  81 -11.734  -3.053  -0.888
  598    HB3  ALA  81           HB3      ALA  81 -12.685  -1.841  -0.032
  599    H    LEU  82           HN       LEU  82 -11.512   0.300  -2.869
  600    HA   LEU  82           HA       LEU  82 -13.155   2.345  -1.853
  601    HB2  LEU  82           HB2      LEU  82 -10.970   2.338  -3.913
  602    HB3  LEU  82           HB1      LEU  82 -11.741   3.801  -3.361
  603    HG   LEU  82           HG       LEU  82 -10.118   1.896  -1.673
  604   HD11  LEU  82          HD11      LEU  82  -8.763   3.197  -3.224
  605   HD12  LEU  82          HD12      LEU  82  -8.510   3.728  -1.561
  606   HD13  LEU  82          HD13      LEU  82  -9.517   4.683  -2.646
  607   HD21  LEU  82          HD21      LEU  82 -11.411   4.523  -0.951
  608   HD22  LEU  82          HD22      LEU  82 -10.335   3.587   0.083
  609   HD23  LEU  82          HD23      LEU  82 -11.907   2.931  -0.378
  610    H    ALA  83           HN       ALA  83 -12.942   0.724  -4.940
  611    HA   ALA  83           HA       ALA  83 -14.510   2.439  -6.483
  612    HB1  ALA  83           HB1      ALA  83 -13.110   0.664  -7.417
  613    HB2  ALA  83           HB2      ALA  83 -14.768   0.562  -8.003
  614    HB3  ALA  83           HB3      ALA  83 -14.203  -0.545  -6.750
  615    H    GLU  84           HN       GLU  84 -15.427   0.063  -4.122
  616    HA   GLU  84           HA       GLU  84 -18.160   0.046  -5.044
  617    HB2  GLU  84           HB2      GLU  84 -16.950  -1.221  -2.591
  618    HB3  GLU  84           HB1      GLU  84 -18.622  -1.417  -3.109
  619    HG2  GLU  84           HG2      GLU  84 -16.133  -2.363  -4.482
  620    HG3  GLU  84           HG1      GLU  84 -17.467  -3.327  -3.840
  621    H    ALA  85           HN       ALA  85 -16.385   2.159  -3.352
  622    HA   ALA  85           HA       ALA  85 -18.696   3.107  -1.832
  623    HB1  ALA  85           HB1      ALA  85 -17.071   4.229  -0.364
  624    HB2  ALA  85           HB2      ALA  85 -15.749   3.531  -1.300
  625    HB3  ALA  85           HB3      ALA  85 -16.825   2.481  -0.379
  626    H    ALA  86           HN       ALA  86 -18.380   5.579  -1.533
  627    HA   ALA  86           HA       ALA  86 -17.034   6.956  -3.633
  628    HB1  ALA  86           HB1      ALA  86 -20.066   7.014  -3.500
  629    HB2  ALA  86           HB2      ALA  86 -19.108   6.333  -4.815
  630    HB3  ALA  86           HB3      ALA  86 -19.068   8.067  -4.503
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1 -12.302  12.727   1.291
    2    H2   MET   1           HT2      MET   1 -10.713  12.277   1.670
    3    H3   MET   1           HT3      MET   1 -12.003  11.890   2.714
    4    HA   MET   1           HA       MET   1 -11.290   9.981   1.370
    5    HB2  MET   1           HB2      MET   1 -13.560  10.060   2.265
    6    HB3  MET   1           HB1      MET   1 -14.084  11.085   0.943
    7    HG2  MET   1           HG2      MET   1 -14.869   8.799   0.678
    8    HG3  MET   1           HG1      MET   1 -13.778   9.259  -0.626
    9    HE1  MET   1           HE1      MET   1 -13.507   6.752  -1.351
   10    HE2  MET   1           HE2      MET   1 -14.624   6.264  -0.076
   11    HE3  MET   1           HE3      MET   1 -13.070   5.447  -0.249
   12    H    ALA   2           HN       ALA   2 -11.078   9.037  -0.694
   13    HA   ALA   2           HA       ALA   2 -11.580  10.692  -2.998
   14    HB1  ALA   2           HB1      ALA   2  -8.869   9.490  -2.372
   15    HB2  ALA   2           HB2      ALA   2  -9.252  11.212  -2.398
   16    HB3  ALA   2           HB3      ALA   2  -9.320  10.273  -3.889
   17    H    THR   3           HN       THR   3 -12.239   9.457  -4.680
   18    HA   THR   3           HA       THR   3 -12.745   6.674  -4.261
   19    HB   THR   3           HB       THR   3 -13.484   6.943  -6.718
   20    HG1  THR   3           HG1      THR   3 -13.175   8.782  -7.620
   21   HG21  THR   3          HG21      THR   3 -15.061   6.970  -4.836
   22   HG22  THR   3          HG22      THR   3 -15.539   8.142  -6.065
   23   HG23  THR   3          HG23      THR   3 -14.743   8.686  -4.590
   24    H    LEU   4           HN       LEU   4 -11.213   5.383  -4.158
   25    HA   LEU   4           HA       LEU   4  -9.624   3.981  -4.708
   26    HB2  LEU   4           HB2      LEU   4 -10.521   4.842  -7.230
   27    HB3  LEU   4           HB1      LEU   4  -8.767   4.792  -7.286
   28    HG   LEU   4           HG       LEU   4  -8.834   2.532  -6.407
   29   HD11  LEU   4          HD11      LEU   4 -10.984   2.577  -5.304
   30   HD12  LEU   4          HD12      LEU   4 -10.959   1.276  -6.490
   31   HD13  LEU   4          HD13      LEU   4 -11.815   2.779  -6.850
   32   HD21  LEU   4          HD21      LEU   4 -10.360   2.983  -8.981
   33   HD22  LEU   4          HD22      LEU   4  -9.571   1.474  -8.520
   34   HD23  LEU   4          HD23      LEU   4  -8.607   2.924  -8.800
   35    H    LEU   5           HN       LEU   5  -7.260   3.922  -5.591
   36    HA   LEU   5           HA       LEU   5  -5.934   6.377  -4.684
   37    HB2  LEU   5           HB2      LEU   5  -5.083   3.542  -4.100
   38    HB3  LEU   5           HB1      LEU   5  -4.203   4.987  -3.663
   39    HG   LEU   5           HG       LEU   5  -6.873   4.157  -2.596
   40   HD11  LEU   5          HD11      LEU   5  -4.143   4.187  -1.314
   41   HD12  LEU   5          HD12      LEU   5  -5.060   2.754  -1.775
   42   HD13  LEU   5          HD13      LEU   5  -5.652   3.804  -0.490
   43   HD21  LEU   5          HD21      LEU   5  -6.584   5.985  -1.007
   44   HD22  LEU   5          HD22      LEU   5  -6.688   6.557  -2.674
   45   HD23  LEU   5          HD23      LEU   5  -5.122   6.480  -1.859
   46    H    THR   6           HN       THR   6  -4.068   6.841  -5.775
   47    HA   THR   6           HA       THR   6  -3.552   5.334  -8.208
   48    HB   THR   6           HB       THR   6  -2.100   7.343  -8.673
   49    HG1  THR   6           HG1      THR   6  -2.935   9.158  -7.049
   50   HG21  THR   6          HG21      THR   6  -4.997   7.950  -8.014
   51   HG22  THR   6          HG22      THR   6  -4.420   7.252  -9.527
   52   HG23  THR   6          HG23      THR   6  -3.972   8.899  -9.090
   53    H    THR   7           HN       THR   7  -1.050   5.141  -8.642
   54    HA   THR   7           HA       THR   7   0.303   3.941  -6.538
   55    HB   THR   7           HB       THR   7   1.636   5.415  -8.836
   56    HG1  THR   7           HG1      THR   7   1.488   3.281  -9.846
   57   HG21  THR   7          HG21      THR   7   3.351   3.678  -8.566
   58   HG22  THR   7          HG22      THR   7   2.431   2.976  -7.235
   59   HG23  THR   7          HG23      THR   7   3.130   4.589  -7.071
   60    H    ASP   8           HN       ASP   8  -0.050   7.262  -7.460
   61    HA   ASP   8           HA       ASP   8   2.065   8.392  -5.981
   62    HB2  ASP   8           HB2      ASP   8  -0.510   9.655  -6.933
   63    HB3  ASP   8           HB1      ASP   8   0.843  10.543  -6.245
   64    H    ASP   9           HN       ASP   9  -1.406   8.121  -5.228
   65    HA   ASP   9           HA       ASP   9  -1.090   9.238  -2.624
   66    HB2  ASP   9           HB2      ASP   9  -3.387   8.983  -3.852
   67    HB3  ASP   9           HB1      ASP   9  -3.285   7.314  -3.349
   68    H    LEU  10           HN       LEU  10  -1.047   5.994  -3.906
   69    HA   LEU  10           HA       LEU  10  -1.078   4.526  -1.512
   70    HB2  LEU  10           HB2      LEU  10  -1.318   3.668  -3.889
   71    HB3  LEU  10           HB1      LEU  10   0.420   3.810  -4.029
   72    HG   LEU  10           HG       LEU  10   0.548   2.253  -2.025
   73   HD11  LEU  10          HD11      LEU  10  -1.734   2.474  -1.276
   74   HD12  LEU  10          HD12      LEU  10  -1.362   0.800  -1.669
   75   HD13  LEU  10          HD13      LEU  10  -2.331   1.775  -2.784
   76   HD21  LEU  10          HD21      LEU  10   1.118   1.560  -4.293
   77   HD22  LEU  10          HD22      LEU  10  -0.579   1.220  -4.628
   78   HD23  LEU  10          HD23      LEU  10   0.292   0.262  -3.432
   79    H    ARG  11           HN       ARG  11   1.518   5.848  -3.480
   80    HA   ARG  11           HA       ARG  11   3.799   4.965  -2.235
   81    HB2  ARG  11           HB2      ARG  11   3.771   6.252  -4.313
   82    HB3  ARG  11           HB1      ARG  11   3.256   7.679  -3.436
   83    HG2  ARG  11           HG2      ARG  11   5.400   7.721  -2.258
   84    HG3  ARG  11           HG1      ARG  11   5.911   6.280  -3.146
   85    HD2  ARG  11           HD2      ARG  11   6.811   8.287  -4.194
   86    HD3  ARG  11           HD1      ARG  11   5.650   7.500  -5.261
   87    HE   ARG  11           HE       ARG  11   5.029   9.867  -3.618
   88   HH11  ARG  11          HH11      ARG  11   4.677   8.075  -6.713
   89   HH12  ARG  11          HH12      ARG  11   3.698   9.301  -7.401
   90   HH21  ARG  11          HH21      ARG  11   3.718  11.519  -4.703
   91   HH22  ARG  11          HH22      ARG  11   3.183  11.249  -6.287
   92    H    ARG  12           HN       ARG  12   1.666   7.595  -1.253
   93    HA   ARG  12           HA       ARG  12   3.301   8.723   0.711
   94    HB2  ARG  12           HB2      ARG  12   1.258   9.871   0.088
   95    HB3  ARG  12           HB1      ARG  12   0.278   8.531   0.680
   96    HG2  ARG  12           HG2      ARG  12   1.170   8.940   2.957
   97    HG3  ARG  12           HG1      ARG  12   2.024  10.346   2.335
   98    HD2  ARG  12           HD2      ARG  12  -0.073  11.397   1.763
   99    HD3  ARG  12           HD1      ARG  12  -0.960   9.951   2.261
  100    HE   ARG  12           HE       ARG  12   0.393  10.556   4.495
  101   HH11  ARG  12          HH11      ARG  12  -1.602  12.592   2.368
  102   HH12  ARG  12          HH12      ARG  12  -2.152  13.583   3.626
  103   HH21  ARG  12          HH21      ARG  12  -0.315  12.027   6.231
  104   HH22  ARG  12          HH22      ARG  12  -1.339  13.308   5.855
  105    H    ALA  13           HN       ALA  13   0.933   6.120   0.967
  106    HA   ALA  13           HA       ALA  13   1.130   5.818   3.760
  107    HB1  ALA  13           HB1      ALA  13   0.267   3.781   1.724
  108    HB2  ALA  13           HB2      ALA  13  -0.765   5.008   2.460
  109    HB3  ALA  13           HB3      ALA  13  -0.061   3.733   3.455
  110    H    LEU  14           HN       LEU  14   2.862   4.253   1.100
  111    HA   LEU  14           HA       LEU  14   4.241   2.449   2.743
  112    HB2  LEU  14           HB2      LEU  14   4.813   3.504  -0.014
  113    HB3  LEU  14           HB1      LEU  14   5.903   2.397   0.791
  114    HG   LEU  14           HG       LEU  14   4.570   1.200  -0.759
  115   HD11  LEU  14          HD11      LEU  14   3.651   0.625   2.032
  116   HD12  LEU  14          HD12      LEU  14   5.077  -0.044   1.218
  117   HD13  LEU  14          HD13      LEU  14   3.444  -0.451   0.657
  118   HD21  LEU  14          HD21      LEU  14   2.129   0.993  -0.609
  119   HD22  LEU  14          HD22      LEU  14   2.646   2.636  -0.983
  120   HD23  LEU  14          HD23      LEU  14   2.118   2.229   0.649
  121    H    VAL  15           HN       VAL  15   4.806   5.800   1.967
  122    HA   VAL  15           HA       VAL  15   7.462   5.817   3.093
  123    HB   VAL  15           HB       VAL  15   5.599   8.170   2.587
  124   HG11  VAL  15          HG11      VAL  15   8.585   8.115   3.029
  125   HG12  VAL  15          HG12      VAL  15   7.378   8.720   4.159
  126   HG13  VAL  15          HG13      VAL  15   7.632   9.542   2.617
  127   HG21  VAL  15          HG21      VAL  15   6.047   6.971   0.539
  128   HG22  VAL  15          HG22      VAL  15   7.788   7.044   0.844
  129   HG23  VAL  15          HG23      VAL  15   6.875   8.527   0.532
  130    H    GLU  16           HN       GLU  16   4.219   6.577   4.151
  131    HA   GLU  16           HA       GLU  16   4.591   7.819   6.623
  132    HB2  GLU  16           HB2      GLU  16   2.471   5.777   5.939
  133    HB3  GLU  16           HB1      GLU  16   2.387   6.969   7.219
  134    HG2  GLU  16           HG2      GLU  16   2.634   7.727   4.345
  135    HG3  GLU  16           HG1      GLU  16   1.077   7.376   5.063
  136    H    SER  17           HN       SER  17   4.124   4.360   5.943
  137    HA   SER  17           HA       SER  17   4.464   3.637   8.677
  138    HB2  SER  17           HB2      SER  17   4.400   1.795   6.291
  139    HB3  SER  17           HB1      SER  17   3.966   1.435   7.963
  140    HG   SER  17           HG       SER  17   2.557   2.722   5.996
  141    H    ALA  18           HN       ALA  18   6.622   4.082   6.056
  142    HA   ALA  18           HA       ALA  18   8.625   2.292   7.140
  143    HB1  ALA  18           HB1      ALA  18  10.043   3.059   5.308
  144    HB2  ALA  18           HB2      ALA  18   8.852   4.291   4.890
  145    HB3  ALA  18           HB3      ALA  18   8.452   2.584   4.707
  146    H    GLY  19           HN       GLY  19   8.219   5.776   6.640
  147    HA2  GLY  19           HA2      GLY  19   9.065   7.558   7.789
  148    HA3  GLY  19           HA1      GLY  19   9.610   6.439   9.041
  149    H    GLU  20           HN       GLU  20  11.583   5.461   8.863
  150    HA   GLU  20           HA       GLU  20  13.292   6.478   6.752
  151    HB2  GLU  20           HB2      GLU  20  14.066   6.235   9.656
  152    HB3  GLU  20           HB1      GLU  20  15.187   6.567   8.345
  153    HG2  GLU  20           HG2      GLU  20  13.775   8.591   7.822
  154    HG3  GLU  20           HG1      GLU  20  12.967   8.300   9.363
  155    H    THR  21           HN       THR  21  13.345   4.797   5.566
  156    HA   THR  21           HA       THR  21  14.875   2.514   6.541
  157    HB   THR  21           HB       THR  21  12.506   2.312   4.588
  158    HG1  THR  21           HG1      THR  21  12.356   2.593   7.110
  159   HG21  THR  21          HG21      THR  21  14.303   0.627   4.246
  160   HG22  THR  21          HG22      THR  21  12.818  -0.111   4.843
  161   HG23  THR  21          HG23      THR  21  14.170   0.165   5.944
  162    H    ASP  22           HN       ASP  22  13.565   2.957   3.353
  163    HA   ASP  22           HA       ASP  22  15.379   4.819   2.388
  164    HB2  ASP  22           HB2      ASP  22  16.996   2.903   2.458
  165    HB3  ASP  22           HB1      ASP  22  15.906   1.992   1.408
  166    H    GLY  23           HN       GLY  23  14.484   5.696   0.664
  167    HA2  GLY  23           HA2      GLY  23  12.227   4.257  -0.481
  168    HA3  GLY  23           HA1      GLY  23  12.557   6.007  -0.742
  169    H    THR  24           HN       THR  24  13.403   2.775  -1.275
  170    HA   THR  24           HA       THR  24  15.426   3.124  -3.137
  171    HB   THR  24           HB       THR  24  13.617   0.753  -2.793
  172    HG1  THR  24           HG1      THR  24  15.601   1.937  -1.120
  173   HG21  THR  24          HG21      THR  24  15.690  -0.427  -3.220
  174   HG22  THR  24          HG22      THR  24  16.515   1.154  -3.298
  175   HG23  THR  24          HG23      THR  24  15.313   0.724  -4.529
  176    H    ASP  25           HN       ASP  25  14.245   4.770  -4.418
  177    HA   ASP  25           HA       ASP  25  13.363   5.539  -6.319
  178    HB2  ASP  25           HB2      ASP  25  14.839   3.608  -7.187
  179    HB3  ASP  25           HB1      ASP  25  13.335   2.720  -7.403
  180    H    LEU  26           HN       LEU  26  11.606   5.011  -4.272
  181    HA   LEU  26           HA       LEU  26   9.239   3.748  -5.300
  182    HB2  LEU  26           HB2      LEU  26   9.855   5.207  -2.759
  183    HB3  LEU  26           HB1      LEU  26   8.186   4.996  -3.222
  184    HG   LEU  26           HG       LEU  26   8.523   2.535  -3.194
  185   HD11  LEU  26          HD11      LEU  26  10.478   1.588  -2.113
  186   HD12  LEU  26          HD12      LEU  26  11.221   3.186  -2.049
  187   HD13  LEU  26          HD13      LEU  26  10.902   2.423  -3.607
  188   HD21  LEU  26          HD21      LEU  26   7.585   3.670  -1.277
  189   HD22  LEU  26          HD22      LEU  26   9.202   3.971  -0.637
  190   HD23  LEU  26          HD23      LEU  26   8.597   2.318  -0.763
  191    H    SER  27           HN       SER  27  10.646   6.770  -5.502
  192    HA   SER  27           HA       SER  27   8.476   8.472  -5.841
  193    HB2  SER  27           HB2      SER  27  10.849   9.213  -5.640
  194    HB3  SER  27           HB1      SER  27  11.145   8.589  -7.261
  195    HG   SER  27           HG       SER  27   9.084  10.434  -6.783
  196    H    GLY  28           HN       GLY  28   7.138   8.869  -7.486
  197    HA2  GLY  28           HA2      GLY  28   6.198   8.714  -9.602
  198    HA3  GLY  28           HA1      GLY  28   7.520   7.658 -10.088
  199    H    ASP  29           HN       ASP  29   7.180   5.548 -10.163
  200    HA   ASP  29           HA       ASP  29   4.789   4.423  -8.856
  201    HB2  ASP  29           HB2      ASP  29   4.456   4.773 -11.323
  202    HB3  ASP  29           HB1      ASP  29   5.828   3.710 -11.602
  203    H    PHE  30           HN       PHE  30   5.212   2.475  -7.888
  204    HA   PHE  30           HA       PHE  30   7.769   1.217  -8.487
  205    HB2  PHE  30           HB2      PHE  30   8.389   1.027  -6.149
  206    HB3  PHE  30           HB1      PHE  30   8.097   2.711  -6.552
  207    HD1  PHE  30           HD1      PHE  30   5.707   3.616  -5.956
  208    HD2  PHE  30           HD2      PHE  30   7.444   0.120  -4.258
  209    HE1  PHE  30           HE1      PHE  30   4.173   3.781  -4.061
  210    HE2  PHE  30           HE2      PHE  30   5.913   0.268  -2.350
  211    HZ   PHE  30           HZ       PHE  30   4.262   2.111  -2.248
  212    H    LEU  31           HN       LEU  31   4.856   0.706  -8.965
  213    HA   LEU  31           HA       LEU  31   3.840  -1.322  -7.327
  214    HB2  LEU  31           HB2      LEU  31   3.370  -0.931 -10.272
  215    HB3  LEU  31           HB1      LEU  31   2.403  -1.927  -9.208
  216    HG   LEU  31           HG       LEU  31   2.637   1.077  -9.153
  217   HD11  LEU  31          HD11      LEU  31   0.272   1.006  -9.741
  218   HD12  LEU  31          HD12      LEU  31   0.352  -0.755  -9.807
  219   HD13  LEU  31          HD13      LEU  31   1.277   0.214 -10.960
  220   HD21  LEU  31          HD21      LEU  31   1.030  -0.748  -7.366
  221   HD22  LEU  31          HD22      LEU  31   0.935   1.012  -7.390
  222   HD23  LEU  31          HD23      LEU  31   2.423   0.214  -6.876
  223    H    ASP  32           HN       ASP  32   6.353  -1.465  -9.643
  224    HA   ASP  32           HA       ASP  32   6.218  -4.347 -10.093
  225    HB2  ASP  32           HB2      ASP  32   6.760  -2.619 -11.848
  226    HB3  ASP  32           HB1      ASP  32   8.271  -2.332 -11.009
  227    H    LEU  33           HN       LEU  33   7.649  -2.199  -7.881
  228    HA   LEU  33           HA       LEU  33  10.074  -3.701  -7.331
  229    HB2  LEU  33           HB2      LEU  33   8.801  -1.261  -6.109
  230    HB3  LEU  33           HB1      LEU  33  10.124  -2.080  -5.320
  231    HG   LEU  33           HG       LEU  33  10.867  -0.096  -6.545
  232   HD11  LEU  33          HD11      LEU  33  11.863  -2.670  -7.735
  233   HD12  LEU  33          HD12      LEU  33  12.420  -1.912  -6.244
  234   HD13  LEU  33          HD13      LEU  33  12.696  -1.117  -7.792
  235   HD21  LEU  33          HD21      LEU  33   9.232  -0.080  -8.353
  236   HD22  LEU  33          HD22      LEU  33   9.934  -1.553  -9.022
  237   HD23  LEU  33          HD23      LEU  33  10.874  -0.059  -8.997
  238    H    ARG  34           HN       ARG  34  10.334  -5.157  -5.860
  239    HA   ARG  34           HA       ARG  34   7.983  -6.321  -4.651
  240    HB2  ARG  34           HB2      ARG  34  10.900  -6.991  -4.209
  241    HB3  ARG  34           HB1      ARG  34   9.530  -7.971  -3.729
  242    HG2  ARG  34           HG2      ARG  34  10.458  -7.406  -6.547
  243    HG3  ARG  34           HG1      ARG  34  10.502  -8.941  -5.668
  244    HD2  ARG  34           HD2      ARG  34   8.007  -8.710  -5.471
  245    HD3  ARG  34           HD1      ARG  34   8.204  -7.428  -6.670
  246    HE   ARG  34           HE       ARG  34   9.290  -9.204  -8.069
  247   HH11  ARG  34          HH11      ARG  34   7.014 -10.125  -5.537
  248   HH12  ARG  34          HH12      ARG  34   6.152 -11.256  -6.486
  249   HH21  ARG  34          HH21      ARG  34   8.171 -10.855  -9.392
  250   HH22  ARG  34          HH22      ARG  34   6.894 -11.729  -8.698
  251    H    PHE  35           HN       PHE  35   7.299  -6.066  -2.509
  252    HA   PHE  35           HA       PHE  35   8.461  -4.037  -0.902
  253    HB2  PHE  35           HB2      PHE  35   6.766  -6.364   0.131
  254    HB3  PHE  35           HB1      PHE  35   7.162  -4.876   0.979
  255    HD1  PHE  35           HD1      PHE  35   6.513  -2.706  -0.417
  256    HD2  PHE  35           HD2      PHE  35   4.631  -6.497  -0.682
  257    HE1  PHE  35           HE1      PHE  35   4.484  -1.626  -1.256
  258    HE2  PHE  35           HE2      PHE  35   2.583  -5.422  -1.522
  259    HZ   PHE  35           HZ       PHE  35   2.447  -3.080  -1.757
  260    H    GLU  36           HN       GLU  36   8.813  -7.464  -1.087
  261    HA   GLU  36           HA       GLU  36  10.536  -8.098   0.970
  262    HB2  GLU  36           HB2      GLU  36   9.404  -9.589  -0.741
  263    HB3  GLU  36           HB1      GLU  36  10.699  -9.160  -1.843
  264    HG2  GLU  36           HG2      GLU  36  11.134 -11.294  -0.852
  265    HG3  GLU  36           HG1      GLU  36  12.316 -10.119  -0.269
  266    H    ASP  37           HN       ASP  37  11.158  -6.482  -2.090
  267    HA   ASP  37           HA       ASP  37  14.036  -6.734  -1.909
  268    HB2  ASP  37           HB2      ASP  37  12.958  -6.791  -4.117
  269    HB3  ASP  37           HB1      ASP  37  12.331  -5.167  -3.858
  270    H    ILE  38           HN       ILE  38  11.566  -4.308  -1.340
  271    HA   ILE  38           HA       ILE  38  13.638  -2.341  -0.824
  272    HB   ILE  38           HB       ILE  38  11.853  -0.681  -0.492
  273   HG12  ILE  38          HG12      ILE  38   9.918  -2.951  -1.050
  274   HG13  ILE  38          HG11      ILE  38  10.160  -2.172   0.509
  275   HG21  ILE  38          HG21      ILE  38  10.946  -0.630  -2.742
  276   HG22  ILE  38          HG22      ILE  38  11.436  -2.300  -3.011
  277   HG23  ILE  38          HG23      ILE  38  12.660  -1.045  -2.760
  278   HD11  ILE  38          HD11      ILE  38   9.340  -0.062  -0.424
  279   HD12  ILE  38          HD12      ILE  38   8.147  -1.351  -0.570
  280   HD13  ILE  38          HD13      ILE  38   9.087  -0.853  -1.979
  281    H    GLY  39           HN       GLY  39  12.915  -4.753   0.848
  282    HA2  GLY  39           HA2      GLY  39  13.260  -5.320   3.043
  283    HA3  GLY  39           HA1      GLY  39  13.771  -3.663   3.312
  284    H    TYR  40           HN       TYR  40  10.615  -4.497   2.091
  285    HA   TYR  40           HA       TYR  40   9.470  -3.243   4.454
  286    HB2  TYR  40           HB2      TYR  40   8.960  -2.953   1.739
  287    HB3  TYR  40           HB1      TYR  40   7.626  -3.941   2.323
  288    HD1  TYR  40           HD1      TYR  40   6.092  -3.078   4.028
  289    HD2  TYR  40           HD2      TYR  40   9.225  -0.713   2.420
  290    HE1  TYR  40           HE1      TYR  40   5.047  -1.066   4.968
  291    HE2  TYR  40           HE2      TYR  40   8.217   1.289   3.318
  292    HH   TYR  40           HH       TYR  40   6.134   2.095   4.148
  293    H    ASP  41           HN       ASP  41   8.858  -4.567   5.969
  294    HA   ASP  41           HA       ASP  41   8.319  -7.357   5.369
  295    HB2  ASP  41           HB2      ASP  41   8.242  -5.917   8.013
  296    HB3  ASP  41           HB1      ASP  41   7.989  -7.627   7.790
  297    H    SER  42           HN       SER  42   6.447  -8.411   5.787
  298    HA   SER  42           HA       SER  42   4.108  -7.274   5.033
  299    HB2  SER  42           HB2      SER  42   3.004  -9.336   5.844
  300    HB3  SER  42           HB1      SER  42   4.508  -9.589   4.944
  301    HG   SER  42           HG       SER  42   5.333  -9.506   7.395
  302    H    LEU  43           HN       LEU  43   5.306  -7.420   8.343
  303    HA   LEU  43           HA       LEU  43   2.883  -6.661   9.590
  304    HB2  LEU  43           HB2      LEU  43   4.928  -7.613  10.726
  305    HB3  LEU  43           HB1      LEU  43   5.719  -6.076  10.501
  306    HG   LEU  43           HG       LEU  43   4.918  -6.511  12.819
  307   HD11  LEU  43          HD11      LEU  43   5.296  -4.222  12.151
  308   HD12  LEU  43          HD12      LEU  43   3.918  -4.328  13.247
  309   HD13  LEU  43          HD13      LEU  43   3.655  -4.116  11.515
  310   HD21  LEU  43          HD21      LEU  43   2.882  -7.722  12.315
  311   HD22  LEU  43          HD22      LEU  43   2.176  -6.275  11.595
  312   HD23  LEU  43          HD23      LEU  43   2.525  -6.319  13.322
  313    H    ALA  44           HN       ALA  44   5.679  -4.767   8.509
  314    HA   ALA  44           HA       ALA  44   4.653  -2.209   9.047
  315    HB1  ALA  44           HB1      ALA  44   6.376  -1.415   7.489
  316    HB2  ALA  44           HB2      ALA  44   6.622  -3.063   6.915
  317    HB3  ALA  44           HB3      ALA  44   7.026  -2.640   8.579
  318    H    LEU  45           HN       LEU  45   4.439  -4.319   6.289
  319    HA   LEU  45           HA       LEU  45   3.127  -2.631   4.487
  320    HB2  LEU  45           HB2      LEU  45   4.182  -4.695   3.828
  321    HB3  LEU  45           HB1      LEU  45   3.070  -5.617   4.812
  322    HG   LEU  45           HG       LEU  45   1.231  -4.986   3.323
  323   HD11  LEU  45          HD11      LEU  45   3.390  -3.656   1.700
  324   HD12  LEU  45          HD12      LEU  45   2.091  -2.833   2.567
  325   HD13  LEU  45          HD13      LEU  45   1.715  -3.884   1.200
  326   HD21  LEU  45          HD21      LEU  45   3.637  -6.174   1.961
  327   HD22  LEU  45          HD22      LEU  45   1.965  -6.328   1.425
  328   HD23  LEU  45          HD23      LEU  45   2.465  -7.039   2.958
  329    H    MET  46           HN       MET  46   1.791  -4.983   6.817
  330    HA   MET  46           HA       MET  46  -0.905  -4.398   6.267
  331    HB2  MET  46           HB2      MET  46   0.271  -5.421   8.869
  332    HB3  MET  46           HB1      MET  46  -1.442  -5.316   8.471
  333    HG2  MET  46           HG2      MET  46  -1.160  -6.922   6.682
  334    HG3  MET  46           HG1      MET  46   0.569  -7.012   7.016
  335    HE1  MET  46           HE1      MET  46  -1.327  -9.578   6.878
  336    HE2  MET  46           HE2      MET  46  -0.751 -10.493   8.273
  337    HE3  MET  46           HE3      MET  46   0.401  -9.672   7.221
  338    H    GLU  47           HN       GLU  47   1.403  -2.935   8.452
  339    HA   GLU  47           HA       GLU  47  -0.372  -1.148   9.720
  340    HB2  GLU  47           HB2      GLU  47   1.824  -1.619  10.638
  341    HB3  GLU  47           HB1      GLU  47   2.605  -0.961   9.212
  342    HG2  GLU  47           HG2      GLU  47   1.956   1.243   9.778
  343    HG3  GLU  47           HG1      GLU  47   0.906   0.678  11.073
  344    H    THR  48           HN       THR  48   1.183  -1.086   6.720
  345    HA   THR  48           HA       THR  48   0.889   1.661   5.976
  346    HB   THR  48           HB       THR  48   1.106  -0.850   4.277
  347    HG1  THR  48           HG1      THR  48   2.918  -0.284   5.750
  348   HG21  THR  48          HG21      THR  48   1.552   2.040   3.518
  349   HG22  THR  48          HG22      THR  48   0.210   1.024   2.986
  350   HG23  THR  48          HG23      THR  48   1.857   0.649   2.478
  351    H    ALA  49           HN       ALA  49  -0.768  -1.301   5.085
  352    HA   ALA  49           HA       ALA  49  -3.045  -0.266   3.869
  353    HB1  ALA  49           HB1      ALA  49  -2.703  -2.791   5.490
  354    HB2  ALA  49           HB2      ALA  49  -2.368  -2.620   3.769
  355    HB3  ALA  49           HB3      ALA  49  -4.020  -2.469   4.367
  356    H    ALA  50           HN       ALA  50  -2.313  -0.912   7.255
  357    HA   ALA  50           HA       ALA  50  -4.749  -0.553   8.347
  358    HB1  ALA  50           HB1      ALA  50  -3.646  -0.028  10.459
  359    HB2  ALA  50           HB2      ALA  50  -2.124   0.205   9.593
  360    HB3  ALA  50           HB3      ALA  50  -2.886  -1.392   9.633
  361    H    ARG  51           HN       ARG  51  -2.205   1.817   7.818
  362    HA   ARG  51           HA       ARG  51  -3.568   4.046   8.839
  363    HB2  ARG  51           HB2      ARG  51  -1.340   3.931   6.793
  364    HB3  ARG  51           HB1      ARG  51  -1.890   5.400   7.588
  365    HG2  ARG  51           HG2      ARG  51  -1.241   4.431   9.769
  366    HG3  ARG  51           HG1      ARG  51  -0.630   3.007   8.925
  367    HD2  ARG  51           HD2      ARG  51   0.985   4.375   7.741
  368    HD3  ARG  51           HD1      ARG  51   0.343   5.828   8.498
  369    HE   ARG  51           HE       ARG  51   1.412   3.713  10.206
  370   HH11  ARG  51          HH11      ARG  51   1.570   7.031   9.060
  371   HH12  ARG  51          HH12      ARG  51   2.921   7.494   9.960
  372   HH21  ARG  51          HH21      ARG  51   3.343   4.273  11.499
  373   HH22  ARG  51          HH22      ARG  51   3.982   5.833  11.397
  374    H    LEU  52           HN       LEU  52  -3.395   2.652   5.616
  375    HA   LEU  52           HA       LEU  52  -4.927   4.636   4.351
  376    HB2  LEU  52           HB2      LEU  52  -4.245   1.810   3.669
  377    HB3  LEU  52           HB1      LEU  52  -5.326   2.713   2.645
  378    HG   LEU  52           HG       LEU  52  -2.490   3.523   3.318
  379   HD11  LEU  52          HD11      LEU  52  -3.648   2.350   0.798
  380   HD12  LEU  52          HD12      LEU  52  -2.566   1.529   1.923
  381   HD13  LEU  52          HD13      LEU  52  -1.995   2.926   1.009
  382   HD21  LEU  52          HD21      LEU  52  -4.458   4.672   1.340
  383   HD22  LEU  52          HD22      LEU  52  -2.783   5.182   1.550
  384   HD23  LEU  52          HD23      LEU  52  -3.950   5.430   2.850
  385    H    GLU  53           HN       GLU  53  -5.872   1.575   5.878
  386    HA   GLU  53           HA       GLU  53  -8.597   1.660   5.323
  387    HB2  GLU  53           HB2      GLU  53  -7.199   0.631   7.790
  388    HB3  GLU  53           HB1      GLU  53  -8.902   0.376   7.447
  389    HG2  GLU  53           HG2      GLU  53  -8.285  -0.842   5.416
  390    HG3  GLU  53           HG1      GLU  53  -6.581  -0.618   5.821
  391    H    SER  54           HN       SER  54  -6.836   3.007   8.079
  392    HA   SER  54           HA       SER  54  -9.035   4.202   9.352
  393    HB2  SER  54           HB2      SER  54  -6.162   5.122   9.343
  394    HB3  SER  54           HB1      SER  54  -7.380   5.482  10.569
  395    HG   SER  54           HG       SER  54  -7.451   2.937  10.417
  396    H    ARG  55           HN       ARG  55  -6.773   5.453   6.978
  397    HA   ARG  55           HA       ARG  55  -7.648   8.109   6.998
  398    HB2  ARG  55           HB2      ARG  55  -5.429   7.397   6.290
  399    HB3  ARG  55           HB1      ARG  55  -6.121   6.580   4.904
  400    HG2  ARG  55           HG2      ARG  55  -6.784   8.697   3.951
  401    HG3  ARG  55           HG1      ARG  55  -6.201   9.547   5.390
  402    HD2  ARG  55           HD2      ARG  55  -3.942   8.823   4.965
  403    HD3  ARG  55           HD1      ARG  55  -4.478   7.821   3.618
  404    HE   ARG  55           HE       ARG  55  -4.718  10.744   3.624
  405   HH11  ARG  55          HH11      ARG  55  -3.592   7.747   2.130
  406   HH12  ARG  55          HH12      ARG  55  -3.425   8.384   0.561
  407   HH21  ARG  55          HH21      ARG  55  -4.294  11.704   1.434
  408   HH22  ARG  55          HH22      ARG  55  -3.757  10.648   0.190
  409    H    TYR  56           HN       TYR  56  -8.540   5.409   4.818
  410    HA   TYR  56           HA       TYR  56 -10.399   7.277   3.568
  411    HB2  TYR  56           HB2      TYR  56  -9.204   4.742   2.513
  412    HB3  TYR  56           HB1      TYR  56 -10.604   5.494   1.745
  413    HD1  TYR  56           HD1      TYR  56 -10.394   7.675   0.639
  414    HD2  TYR  56           HD2      TYR  56  -7.056   5.794   2.462
  415    HE1  TYR  56           HE1      TYR  56  -8.878   9.162  -0.597
  416    HE2  TYR  56           HE2      TYR  56  -5.539   7.271   1.245
  417    HH   TYR  56           HH       TYR  56  -6.567  10.023  -0.474
  418    H    GLY  57           HN       GLY  57 -10.548   4.625   5.679
  419    HA2  GLY  57           HA2      GLY  57 -12.453   3.950   6.806
  420    HA3  GLY  57           HA1      GLY  57 -13.426   4.881   5.674
  421    H    VAL  58           HN       VAL  58 -11.234   2.106   5.608
  422    HA   VAL  58           HA       VAL  58 -13.265   0.528   4.289
  423    HB   VAL  58           HB       VAL  58 -11.575  -0.473   2.692
  424   HG11  VAL  58          HG11      VAL  58 -11.704   1.320   1.033
  425   HG12  VAL  58          HG12      VAL  58 -12.192   2.446   2.302
  426   HG13  VAL  58          HG13      VAL  58 -13.233   1.087   1.882
  427   HG21  VAL  58          HG21      VAL  58  -9.934   1.952   3.449
  428   HG22  VAL  58          HG22      VAL  58  -9.574   0.842   2.127
  429   HG23  VAL  58          HG23      VAL  58  -9.525   0.271   3.794
  430    H    SER  59           HN       SER  59 -12.235  -1.840   3.993
  431    HA   SER  59           HA       SER  59 -10.713  -2.489   6.381
  432    HB2  SER  59           HB2      SER  59 -13.365  -3.738   5.622
  433    HB3  SER  59           HB1      SER  59 -12.329  -4.260   6.954
  434    HG   SER  59           HG       SER  59 -12.549  -2.126   7.794
  435    H    ILE  60           HN       ILE  60  -9.094  -3.624   5.738
  436    HA   ILE  60           HA       ILE  60  -9.180  -5.121   3.205
  437    HB   ILE  60           HB       ILE  60  -6.845  -4.163   4.890
  438   HG12  ILE  60          HG12      ILE  60  -7.825  -3.191   2.199
  439   HG13  ILE  60          HG11      ILE  60  -8.167  -2.399   3.732
  440   HG21  ILE  60          HG21      ILE  60  -6.824  -5.505   2.183
  441   HG22  ILE  60          HG22      ILE  60  -6.256  -6.209   3.697
  442   HG23  ILE  60          HG23      ILE  60  -5.418  -4.822   3.003
  443   HD11  ILE  60          HD11      ILE  60  -5.808  -1.997   4.059
  444   HD12  ILE  60          HD12      ILE  60  -6.347  -1.316   2.519
  445   HD13  ILE  60          HD13      ILE  60  -5.437  -2.830   2.553
  446    HA   PRO  61           HA       PRO  61  -9.281  -8.965   5.565
  447    HB2  PRO  61           HB2      PRO  61  -8.098 -10.053   3.058
  448    HB3  PRO  61           HB1      PRO  61  -9.537 -10.577   3.936
  449    HG2  PRO  61           HG2      PRO  61  -9.766  -9.241   1.652
  450    HG3  PRO  61           HG1      PRO  61 -10.871  -8.923   3.003
  451    HD2  PRO  61           HD2      PRO  61  -8.515  -7.340   2.071
  452    HD3  PRO  61           HD1      PRO  61 -10.098  -6.773   2.641
  453    H    ASP  62           HN       ASP  62  -7.834  -9.682   6.940
  454    HA   ASP  62           HA       ASP  62  -5.313  -8.634   7.324
  455    HB2  ASP  62           HB2      ASP  62  -6.267 -11.308   8.361
  456    HB3  ASP  62           HB1      ASP  62  -4.905 -10.340   8.926
  457    H    ASP  63           HN       ASP  63  -6.037 -11.879   6.087
  458    HA   ASP  63           HA       ASP  63  -3.274 -12.545   5.922
  459    HB2  ASP  63           HB2      ASP  63  -5.732 -14.005   4.947
  460    HB3  ASP  63           HB1      ASP  63  -4.097 -14.640   4.798
  461    H    VAL  64           HN       VAL  64  -5.603 -11.271   3.741
  462    HA   VAL  64           HA       VAL  64  -4.040 -11.737   1.373
  463    HB   VAL  64           HB       VAL  64  -6.053  -9.501   1.741
  464   HG11  VAL  64          HG11      VAL  64  -5.122 -10.993  -0.704
  465   HG12  VAL  64          HG12      VAL  64  -4.692  -9.342  -0.259
  466   HG13  VAL  64          HG13      VAL  64  -6.358  -9.734  -0.679
  467   HG21  VAL  64          HG21      VAL  64  -7.753 -11.029   0.865
  468   HG22  VAL  64          HG22      VAL  64  -7.093 -11.592   2.401
  469   HG23  VAL  64          HG23      VAL  64  -6.575 -12.342   0.890
  470    H    ALA  65           HN       ALA  65  -4.381  -9.159   3.704
  471    HA   ALA  65           HA       ALA  65  -2.767  -7.175   2.602
  472    HB1  ALA  65           HB1      ALA  65  -4.200  -6.803   4.541
  473    HB2  ALA  65           HB2      ALA  65  -2.538  -6.352   4.929
  474    HB3  ALA  65           HB3      ALA  65  -3.206  -7.880   5.511
  475    H    GLY  66           HN       GLY  66  -1.897 -10.181   4.088
  476    HA2  GLY  66           HA2      GLY  66   0.933  -9.374   4.134
  477    HA3  GLY  66           HA1      GLY  66   0.250 -10.715   5.044
  478    H    ARG  67           HN       ARG  67  -0.981 -10.565   1.906
  479    HA   ARG  67           HA       ARG  67   0.853 -12.716   1.094
  480    HB2  ARG  67           HB2      ARG  67  -1.523 -13.353   1.176
  481    HB3  ARG  67           HB1      ARG  67  -1.917 -12.057   0.054
  482    HG2  ARG  67           HG2      ARG  67  -0.583 -13.148  -1.679
  483    HG3  ARG  67           HG1      ARG  67  -0.173 -14.436  -0.552
  484    HD2  ARG  67           HD2      ARG  67  -1.959 -15.093  -2.098
  485    HD3  ARG  67           HD1      ARG  67  -2.498 -15.104  -0.423
  486    HE   ARG  67           HE       ARG  67  -4.036 -13.533  -0.927
  487   HH11  ARG  67          HH11      ARG  67  -1.695 -13.590  -3.627
  488   HH12  ARG  67          HH12      ARG  67  -2.572 -12.523  -4.589
  489   HH21  ARG  67          HH21      ARG  67  -5.279 -12.076  -2.323
  490   HH22  ARG  67          HH22      ARG  67  -4.626 -11.624  -3.831
  491    H    VAL  68           HN       VAL  68  -0.073  -9.537   0.405
  492    HA   VAL  68           HA       VAL  68   0.650  -9.556  -2.366
  493    HB   VAL  68           HB       VAL  68   0.290  -7.070  -2.228
  494   HG11  VAL  68          HG11      VAL  68  -1.892  -8.781  -1.037
  495   HG12  VAL  68          HG12      VAL  68  -1.558  -8.565  -2.755
  496   HG13  VAL  68          HG13      VAL  68  -2.124  -7.201  -1.787
  497   HG21  VAL  68          HG21      VAL  68  -0.679  -6.133  -0.164
  498   HG22  VAL  68          HG22      VAL  68   0.978  -6.687   0.073
  499   HG23  VAL  68          HG23      VAL  68  -0.371  -7.663   0.664
  500    H    ASP  69           HN       ASP  69   2.647  -9.557  -3.113
  501    HA   ASP  69           HA       ASP  69   4.853  -8.623  -1.382
  502    HB2  ASP  69           HB2      ASP  69   5.030 -10.954  -2.268
  503    HB3  ASP  69           HB1      ASP  69   4.990 -10.302  -3.894
  504    H    THR  70           HN       THR  70   3.147  -7.930  -4.216
  505    HA   THR  70           HA       THR  70   5.081  -5.809  -4.731
  506    HB   THR  70           HB       THR  70   4.299  -5.843  -7.091
  507    HG1  THR  70           HG1      THR  70   2.758  -8.046  -6.095
  508   HG21  THR  70          HG21      THR  70   6.273  -7.067  -6.450
  509   HG22  THR  70          HG22      THR  70   5.391  -8.030  -7.646
  510   HG23  THR  70          HG23      THR  70   5.302  -8.418  -5.922
  511    HA   PRO  71           HA       PRO  71   2.068  -2.822  -3.656
  512    HB2  PRO  71           HB2      PRO  71   3.167  -1.218  -5.898
  513    HB3  PRO  71           HB1      PRO  71   3.016  -0.807  -4.184
  514    HG2  PRO  71           HG2      PRO  71   5.379  -1.409  -5.207
  515    HG3  PRO  71           HG1      PRO  71   4.913  -1.987  -3.595
  516    HD2  PRO  71           HD2      PRO  71   4.945  -3.459  -6.196
  517    HD3  PRO  71           HD1      PRO  71   5.474  -3.998  -4.589
  518    H    ARG  72           HN       ARG  72   2.434  -3.685  -7.063
  519    HA   ARG  72           HA       ARG  72   0.029  -2.602  -7.951
  520    HB2  ARG  72           HB2      ARG  72   0.036  -4.327  -9.768
  521    HB3  ARG  72           HB1      ARG  72   1.544  -3.447  -9.610
  522    HG2  ARG  72           HG2      ARG  72   2.542  -5.346  -8.464
  523    HG3  ARG  72           HG1      ARG  72   1.017  -6.221  -8.574
  524    HD2  ARG  72           HD2      ARG  72   2.583  -6.926 -10.316
  525    HD3  ARG  72           HD1      ARG  72   1.139  -6.181 -10.997
  526    HE   ARG  72           HE       ARG  72   2.499  -4.142 -11.314
  527   HH11  ARG  72          HH11      ARG  72   4.224  -7.247 -10.984
  528   HH12  ARG  72          HH12      ARG  72   5.522  -6.750 -11.960
  529   HH21  ARG  72          HH21      ARG  72   4.330  -3.480 -12.584
  530   HH22  ARG  72          HH22      ARG  72   5.642  -4.558 -12.786
  531    H    GLU  73           HN       GLU  73   0.575  -5.739  -6.398
  532    HA   GLU  73           HA       GLU  73  -2.082  -6.697  -6.532
  533    HB2  GLU  73           HB2      GLU  73   0.048  -7.229  -4.458
  534    HB3  GLU  73           HB1      GLU  73  -1.403  -8.180  -4.707
  535    HG2  GLU  73           HG2      GLU  73  -0.622  -8.954  -6.805
  536    HG3  GLU  73           HG1      GLU  73   0.734  -7.821  -6.777
  537    H    LEU  74           HN       LEU  74  -0.265  -4.910  -4.119
  538    HA   LEU  74           HA       LEU  74  -2.298  -4.852  -2.161
  539    HB2  LEU  74           HB2      LEU  74   0.087  -4.608  -1.628
  540    HB3  LEU  74           HB1      LEU  74   0.157  -3.110  -2.514
  541    HG   LEU  74           HG       LEU  74   0.196  -2.950   0.034
  542   HD11  LEU  74          HD11      LEU  74  -1.918  -1.404  -1.399
  543   HD12  LEU  74          HD12      LEU  74  -0.201  -1.016  -1.316
  544   HD13  LEU  74          HD13      LEU  74  -1.186  -0.984   0.147
  545   HD21  LEU  74          HD21      LEU  74  -2.728  -3.605  -0.290
  546   HD22  LEU  74          HD22      LEU  74  -1.953  -3.042   1.192
  547   HD23  LEU  74          HD23      LEU  74  -1.524  -4.615   0.513
  548    H    LEU  75           HN       LEU  75  -1.290  -2.453  -4.579
  549    HA   LEU  75           HA       LEU  75  -3.099  -0.431  -3.972
  550    HB2  LEU  75           HB2      LEU  75  -1.256  -0.169  -5.586
  551    HB3  LEU  75           HB1      LEU  75  -2.051  -1.282  -6.679
  552    HG   LEU  75           HG       LEU  75  -3.930   0.339  -6.897
  553   HD11  LEU  75          HD11      LEU  75  -3.619   2.634  -6.144
  554   HD12  LEU  75          HD12      LEU  75  -2.131   2.165  -5.321
  555   HD13  LEU  75          HD13      LEU  75  -3.676   1.505  -4.790
  556   HD21  LEU  75          HD21      LEU  75  -2.722   1.926  -8.317
  557   HD22  LEU  75          HD22      LEU  75  -2.153   0.276  -8.558
  558   HD23  LEU  75          HD23      LEU  75  -1.197   1.407  -7.600
  559    H    ASP  76           HN       ASP  76  -3.373  -3.091  -6.286
  560    HA   ASP  76           HA       ASP  76  -5.972  -2.541  -7.143
  561    HB2  ASP  76           HB2      ASP  76  -4.462  -3.980  -8.393
  562    HB3  ASP  76           HB1      ASP  76  -4.488  -5.169  -7.099
  563    H    LEU  77           HN       LEU  77  -4.824  -4.556  -4.502
  564    HA   LEU  77           HA       LEU  77  -7.245  -5.688  -3.695
  565    HB2  LEU  77           HB2      LEU  77  -5.127  -6.436  -2.817
  566    HB3  LEU  77           HB1      LEU  77  -4.818  -4.867  -2.108
  567    HG   LEU  77           HG       LEU  77  -6.708  -5.227  -0.555
  568   HD11  LEU  77          HD11      LEU  77  -6.768  -7.996  -1.735
  569   HD12  LEU  77          HD12      LEU  77  -8.030  -6.773  -1.877
  570   HD13  LEU  77          HD13      LEU  77  -7.648  -7.468  -0.301
  571   HD21  LEU  77          HD21      LEU  77  -4.427  -5.714   0.118
  572   HD22  LEU  77          HD22      LEU  77  -4.566  -7.347  -0.531
  573   HD23  LEU  77          HD23      LEU  77  -5.545  -6.863   0.854
  574    H    ILE  78           HN       ILE  78  -5.672  -2.688  -2.616
  575    HA   ILE  78           HA       ILE  78  -7.842  -1.955  -0.921
  576    HB   ILE  78           HB       ILE  78  -5.655  -0.154  -2.030
  577   HG12  ILE  78          HG12      ILE  78  -5.786  -1.732   0.549
  578   HG13  ILE  78          HG11      ILE  78  -4.789  -2.133  -0.842
  579   HG21  ILE  78          HG21      ILE  78  -7.442   0.158   0.401
  580   HG22  ILE  78          HG22      ILE  78  -7.567   1.092  -1.090
  581   HG23  ILE  78          HG23      ILE  78  -6.139   1.254  -0.065
  582   HD11  ILE  78          HD11      ILE  78  -3.570  -0.027  -0.529
  583   HD12  ILE  78          HD12      ILE  78  -3.447  -1.110   0.843
  584   HD13  ILE  78          HD13      ILE  78  -4.526   0.291   0.922
  585    H    ASN  79           HN       ASN  79  -7.004  -1.371  -4.224
  586    HA   ASN  79           HA       ASN  79  -8.961   0.572  -4.835
  587    HB2  ASN  79           HB2      ASN  79  -7.522  -1.474  -6.521
  588    HB3  ASN  79           HB1      ASN  79  -8.825  -0.524  -7.211
  589   HD21  ASN  79          HD21      ASN  79  -6.686   0.885  -4.829
  590   HD22  ASN  79          HD22      ASN  79  -5.821   1.885  -5.954
  591    H    GLY  80           HN       GLY  80  -9.060  -2.944  -4.750
  592    HA2  GLY  80           HA2      GLY  80 -11.717  -3.232  -5.650
  593    HA3  GLY  80           HA1      GLY  80 -10.817  -4.406  -4.696
  594    H    ALA  81           HN       ALA  81 -10.334  -2.825  -2.440
  595    HA   ALA  81           HA       ALA  81 -12.775  -3.089  -1.020
  596    HB1  ALA  81           HB1      ALA  81 -10.582  -3.334   0.071
  597    HB2  ALA  81           HB2      ALA  81 -11.564  -2.108   0.877
  598    HB3  ALA  81           HB3      ALA  81 -10.257  -1.623  -0.203
  599    H    LEU  82           HN       LEU  82 -11.061  -0.334  -2.384
  600    HA   LEU  82           HA       LEU  82 -12.926   1.602  -1.477
  601    HB2  LEU  82           HB2      LEU  82 -10.755   1.654  -3.549
  602    HB3  LEU  82           HB1      LEU  82 -11.758   3.043  -3.195
  603    HG   LEU  82           HG       LEU  82 -10.028   1.670  -1.128
  604   HD11  LEU  82          HD11      LEU  82  -9.482   4.160  -2.736
  605   HD12  LEU  82          HD12      LEU  82  -8.652   2.614  -2.916
  606   HD13  LEU  82          HD13      LEU  82  -8.490   3.530  -1.421
  607   HD21  LEU  82          HD21      LEU  82 -11.411   4.348  -1.169
  608   HD22  LEU  82          HD22      LEU  82 -10.383   3.729   0.127
  609   HD23  LEU  82          HD23      LEU  82 -11.916   2.937  -0.238
  610    H    ALA  83           HN       ALA  83 -12.797  -0.556  -4.172
  611    HA   ALA  83           HA       ALA  83 -14.655   0.752  -5.840
  612    HB1  ALA  83           HB1      ALA  83 -13.242  -1.097  -6.631
  613    HB2  ALA  83           HB2      ALA  83 -14.951  -1.415  -6.929
  614    HB3  ALA  83           HB3      ALA  83 -14.126  -2.214  -5.591
  615    H    GLU  84           HN       GLU  84 -14.984  -1.143  -2.989
  616    HA   GLU  84           HA       GLU  84 -17.855  -1.450  -3.240
  617    HB2  GLU  84           HB2      GLU  84 -15.925  -2.078  -1.006
  618    HB3  GLU  84           HB1      GLU  84 -17.652  -2.381  -0.918
  619    HG2  GLU  84           HG2      GLU  84 -15.771  -3.589  -2.932
  620    HG3  GLU  84           HG1      GLU  84 -16.376  -4.386  -1.479
  621    H    ALA  85           HN       ALA  85 -15.627   0.796  -2.004
  622    HA   ALA  85           HA       ALA  85 -17.543   2.027  -0.206
  623    HB1  ALA  85           HB1      ALA  85 -15.235   1.774   0.568
  624    HB2  ALA  85           HB2      ALA  85 -15.676   3.477   0.434
  625    HB3  ALA  85           HB3      ALA  85 -14.668   2.727  -0.804
  626    H    ALA  86           HN       ALA  86 -17.843   4.376  -0.402
  627    HA   ALA  86           HA       ALA  86 -17.328   5.625  -2.920
  628    HB1  ALA  86           HB1      ALA  86 -19.722   6.059  -3.387
  629    HB2  ALA  86           HB2      ALA  86 -20.165   4.989  -2.054
  630    HB3  ALA  86           HB3      ALA  86 -19.347   4.336  -3.474
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1 -16.106   9.229   1.454
    2    H2   MET   1           HT2      MET   1 -15.336  10.424   0.525
    3    H3   MET   1           HT3      MET   1 -15.851  10.810   2.063
    4    HA   MET   1           HA       MET   1 -13.523  10.546   2.021
    5    HB2  MET   1           HB2      MET   1 -14.796   8.103   3.298
    6    HB3  MET   1           HB1      MET   1 -13.191   8.710   3.651
    7    HG2  MET   1           HG2      MET   1 -14.569   9.401   5.430
    8    HG3  MET   1           HG1      MET   1 -14.296  10.837   4.450
    9    HE1  MET   1           HE1      MET   1 -18.244   8.411   4.546
   10    HE2  MET   1           HE2      MET   1 -16.842   8.067   5.560
   11    HE3  MET   1           HE3      MET   1 -16.758   7.795   3.819
   12    H    ALA   2           HN       ALA   2 -15.264   8.157   0.194
   13    HA   ALA   2           HA       ALA   2 -13.029   6.497  -0.329
   14    HB1  ALA   2           HB1      ALA   2 -15.678   6.731  -1.753
   15    HB2  ALA   2           HB2      ALA   2 -15.327   5.662  -0.394
   16    HB3  ALA   2           HB3      ALA   2 -14.503   5.427  -1.936
   17    H    THR   3           HN       THR   3 -11.394   7.119  -1.493
   18    HA   THR   3           HA       THR   3 -11.759   8.188  -4.137
   19    HB   THR   3           HB       THR   3 -11.525  10.240  -2.643
   20    HG1  THR   3           HG1      THR   3  -9.773  11.134  -3.813
   21   HG21  THR   3          HG21      THR   3 -10.129   9.301  -0.870
   22   HG22  THR   3          HG22      THR   3  -9.336  10.699  -1.599
   23   HG23  THR   3          HG23      THR   3  -8.809   9.067  -2.016
   24    H    LEU   4           HN       LEU   4 -10.482   7.383  -5.455
   25    HA   LEU   4           HA       LEU   4  -9.254   5.002  -4.644
   26    HB2  LEU   4           HB2      LEU   4 -10.350   5.665  -6.890
   27    HB3  LEU   4           HB1      LEU   4  -8.736   6.316  -7.220
   28    HG   LEU   4           HG       LEU   4  -7.847   4.151  -6.608
   29   HD11  LEU   4          HD11      LEU   4 -10.723   3.293  -6.882
   30   HD12  LEU   4          HD12      LEU   4  -9.723   3.217  -5.432
   31   HD13  LEU   4          HD13      LEU   4  -9.353   2.186  -6.814
   32   HD21  LEU   4          HD21      LEU   4  -8.300   3.139  -8.827
   33   HD22  LEU   4          HD22      LEU   4  -7.943   4.864  -8.919
   34   HD23  LEU   4          HD23      LEU   4  -9.609   4.296  -9.053
   35    H    LEU   5           HN       LEU   5  -7.126   4.428  -4.785
   36    HA   LEU   5           HA       LEU   5  -5.210   6.559  -4.269
   37    HB2  LEU   5           HB2      LEU   5  -4.973   3.574  -3.941
   38    HB3  LEU   5           HB1      LEU   5  -3.801   4.769  -3.447
   39    HG   LEU   5           HG       LEU   5  -6.529   4.321  -2.248
   40   HD11  LEU   5          HD11      LEU   5  -4.892   2.612  -1.701
   41   HD12  LEU   5          HD12      LEU   5  -5.272   3.599  -0.289
   42   HD13  LEU   5          HD13      LEU   5  -3.760   3.851  -1.167
   43   HD21  LEU   5          HD21      LEU   5  -4.381   6.296  -1.471
   44   HD22  LEU   5          HD22      LEU   5  -5.875   5.990  -0.581
   45   HD23  LEU   5          HD23      LEU   5  -5.939   6.693  -2.197
   46    H    THR   6           HN       THR   6  -3.801   7.049  -5.887
   47    HA   THR   6           HA       THR   6  -3.510   5.134  -8.056
   48    HB   THR   6           HB       THR   6  -2.311   6.928  -9.218
   49    HG1  THR   6           HG1      THR   6  -2.790   8.572  -6.930
   50   HG21  THR   6          HG21      THR   6  -4.098   8.621  -9.356
   51   HG22  THR   6          HG22      THR   6  -4.805   7.991  -7.869
   52   HG23  THR   6          HG23      THR   6  -4.768   6.990  -9.322
   53    H    THR   7           HN       THR   7  -0.913   5.439  -8.804
   54    HA   THR   7           HA       THR   7   0.621   3.989  -7.052
   55    HB   THR   7           HB       THR   7   1.702   5.989  -9.040
   56    HG1  THR   7           HG1      THR   7   1.252   3.746 -10.311
   57   HG21  THR   7          HG21      THR   7   2.501   3.158  -8.283
   58   HG22  THR   7          HG22      THR   7   3.315   4.621  -7.728
   59   HG23  THR   7          HG23      THR   7   3.338   4.194  -9.442
   60    H    ASP   8           HN       ASP   8   0.245   7.497  -7.417
   61    HA   ASP   8           HA       ASP   8   2.387   8.155  -5.634
   62    HB2  ASP   8           HB2      ASP   8   1.704   9.692  -7.416
   63    HB3  ASP   8           HB1      ASP   8   0.140   9.906  -6.629
   64    H    ASP   9           HN       ASP   9  -1.107   8.002  -5.375
   65    HA   ASP   9           HA       ASP   9  -1.340   8.989  -2.709
   66    HB2  ASP   9           HB2      ASP   9  -3.127   6.973  -4.091
   67    HB3  ASP   9           HB1      ASP   9  -3.502   7.805  -2.594
   68    H    LEU  10           HN       LEU  10  -0.806   5.862  -4.117
   69    HA   LEU  10           HA       LEU  10  -0.952   4.321  -1.776
   70    HB2  LEU  10           HB2      LEU  10  -0.941   3.545  -4.210
   71    HB3  LEU  10           HB1      LEU  10   0.795   3.766  -4.166
   72    HG   LEU  10           HG       LEU  10   0.873   2.140  -2.269
   73   HD11  LEU  10          HD11      LEU  10  -1.077   0.691  -1.957
   74   HD12  LEU  10          HD12      LEU  10  -2.006   1.718  -3.053
   75   HD13  LEU  10          HD13      LEU  10  -1.414   2.367  -1.526
   76   HD21  LEU  10          HD21      LEU  10   1.428   1.467  -4.555
   77   HD22  LEU  10          HD22      LEU  10  -0.274   1.142  -4.883
   78   HD23  LEU  10          HD23      LEU  10   0.597   0.166  -3.702
   79    H    ARG  11           HN       ARG  11   1.777   5.718  -3.582
   80    HA   ARG  11           HA       ARG  11   3.900   4.981  -2.009
   81    HB2  ARG  11           HB2      ARG  11   4.215   6.135  -4.125
   82    HB3  ARG  11           HB1      ARG  11   3.502   7.601  -3.467
   83    HG2  ARG  11           HG2      ARG  11   5.354   7.787  -1.879
   84    HG3  ARG  11           HG1      ARG  11   6.071   6.326  -2.552
   85    HD2  ARG  11           HD2      ARG  11   7.150   8.303  -3.440
   86    HD3  ARG  11           HD1      ARG  11   6.297   7.435  -4.711
   87    HE   ARG  11           HE       ARG  11   4.534   9.150  -4.492
   88   HH11  ARG  11          HH11      ARG  11   7.758   9.969  -3.205
   89   HH12  ARG  11          HH12      ARG  11   7.599  11.631  -3.582
   90   HH21  ARG  11          HH21      ARG  11   4.384  11.387  -5.014
   91   HH22  ARG  11          HH22      ARG  11   5.639  12.467  -4.612
   92    H    ARG  12           HN       ARG  12   1.747   7.725  -1.566
   93    HA   ARG  12           HA       ARG  12   2.984   9.100   0.503
   94    HB2  ARG  12           HB2      ARG  12   0.909   9.781  -0.731
   95    HB3  ARG  12           HB1      ARG  12   0.004   8.627   0.235
   96    HG2  ARG  12           HG2      ARG  12   0.757   9.881   2.275
   97    HG3  ARG  12           HG1      ARG  12   1.424  11.104   1.196
   98    HD2  ARG  12           HD2      ARG  12  -1.472  10.277   1.431
   99    HD3  ARG  12           HD1      ARG  12  -0.762  11.796   1.966
  100    HE   ARG  12           HE       ARG  12  -0.420  11.300  -0.847
  101   HH11  ARG  12          HH11      ARG  12  -2.477  12.889   1.600
  102   HH12  ARG  12          HH12      ARG  12  -3.426  13.693   0.429
  103   HH21  ARG  12          HH21      ARG  12  -1.845  12.396  -2.436
  104   HH22  ARG  12          HH22      ARG  12  -3.096  13.373  -1.856
  105    H    ALA  13           HN       ALA  13   0.737   6.373   0.689
  106    HA   ALA  13           HA       ALA  13   0.618   6.208   3.508
  107    HB1  ALA  13           HB1      ALA  13  -1.090   5.278   2.039
  108    HB2  ALA  13           HB2      ALA  13  -0.449   4.066   3.149
  109    HB3  ALA  13           HB3      ALA  13   0.063   4.078   1.461
  110    H    LEU  14           HN       LEU  14   2.595   4.498   1.097
  111    HA   LEU  14           HA       LEU  14   3.814   2.726   2.911
  112    HB2  LEU  14           HB2      LEU  14   4.603   3.714   0.181
  113    HB3  LEU  14           HB1      LEU  14   5.664   2.672   1.095
  114    HG   LEU  14           HG       LEU  14   4.449   1.434  -0.572
  115   HD11  LEU  14          HD11      LEU  14   3.531   0.751   2.201
  116   HD12  LEU  14          HD12      LEU  14   5.022   0.225   1.414
  117   HD13  LEU  14          HD13      LEU  14   3.455  -0.329   0.813
  118   HD21  LEU  14          HD21      LEU  14   2.426   2.742  -0.783
  119   HD22  LEU  14          HD22      LEU  14   1.927   2.265   0.840
  120   HD23  LEU  14          HD23      LEU  14   2.028   1.056  -0.445
  121    H    VAL  15           HN       VAL  15   4.601   5.984   1.943
  122    HA   VAL  15           HA       VAL  15   7.154   6.020   3.167
  123    HB   VAL  15           HB       VAL  15   5.359   8.323   2.313
  124   HG11  VAL  15          HG11      VAL  15   8.265   8.427   3.131
  125   HG12  VAL  15          HG12      VAL  15   6.906   9.092   4.040
  126   HG13  VAL  15          HG13      VAL  15   7.325   9.766   2.464
  127   HG21  VAL  15          HG21      VAL  15   6.116   6.914   0.496
  128   HG22  VAL  15          HG22      VAL  15   7.788   7.079   1.037
  129   HG23  VAL  15          HG23      VAL  15   6.916   8.486   0.433
  130    H    GLU  16           HN       GLU  16   3.976   6.424   4.405
  131    HA   GLU  16           HA       GLU  16   4.517   7.821   6.758
  132    HB2  GLU  16           HB2      GLU  16   2.370   5.862   6.068
  133    HB3  GLU  16           HB1      GLU  16   2.423   6.730   7.601
  134    HG2  GLU  16           HG2      GLU  16   2.429   8.065   4.915
  135    HG3  GLU  16           HG1      GLU  16   0.996   7.729   5.878
  136    H    SER  17           HN       SER  17   4.449   4.324   6.075
  137    HA   SER  17           HA       SER  17   5.193   3.635   8.751
  138    HB2  SER  17           HB2      SER  17   5.255   1.331   7.606
  139    HB3  SER  17           HB1      SER  17   3.698   2.168   7.696
  140    HG   SER  17           HG       SER  17   4.004   1.455   5.589
  141    H    ALA  18           HN       ALA  18   6.728   4.339   5.775
  142    HA   ALA  18           HA       ALA  18   9.166   2.944   6.222
  143    HB1  ALA  18           HB1      ALA  18   8.608   5.291   4.425
  144    HB2  ALA  18           HB2      ALA  18   8.417   3.593   3.989
  145    HB3  ALA  18           HB3      ALA  18  10.019   4.238   4.352
  146    H    GLY  19           HN       GLY  19   7.878   5.887   7.387
  147    HA2  GLY  19           HA2      GLY  19   8.691   7.371   8.959
  148    HA3  GLY  19           HA1      GLY  19  10.089   6.315   9.145
  149    H    GLU  20           HN       GLU  20  11.920   6.709   8.020
  150    HA   GLU  20           HA       GLU  20  12.266   9.392   6.980
  151    HB2  GLU  20           HB2      GLU  20  14.634   8.823   6.929
  152    HB3  GLU  20           HB1      GLU  20  13.932   8.367   8.472
  153    HG2  GLU  20           HG2      GLU  20  13.792   6.034   7.685
  154    HG3  GLU  20           HG1      GLU  20  14.584   6.525   6.188
  155    H    THR  21           HN       THR  21  10.657   7.468   5.524
  156    HA   THR  21           HA       THR  21  10.182   6.669   3.461
  157    HB   THR  21           HB       THR  21  12.440   8.326   2.392
  158    HG1  THR  21           HG1      THR  21  11.078   9.643   3.831
  159   HG21  THR  21          HG21      THR  21   9.705   7.630   1.278
  160   HG22  THR  21          HG22      THR  21  11.241   6.918   0.780
  161   HG23  THR  21          HG23      THR  21  10.910   8.619   0.452
  162    H    ASP  22           HN       ASP  22  11.919   5.241   5.054
  163    HA   ASP  22           HA       ASP  22  14.119   4.137   3.677
  164    HB2  ASP  22           HB2      ASP  22  13.827   3.639   6.048
  165    HB3  ASP  22           HB1      ASP  22  12.330   2.756   5.703
  166    H    GLY  23           HN       GLY  23  14.288   2.262   2.478
  167    HA2  GLY  23           HA2      GLY  23  13.183   0.528   1.206
  168    HA3  GLY  23           HA1      GLY  23  11.782   1.599   1.093
  169    H    THR  24           HN       THR  24  14.887   3.044   0.921
  170    HA   THR  24           HA       THR  24  16.147   3.954  -0.554
  171    HB   THR  24           HB       THR  24  16.529   3.002  -2.715
  172    HG1  THR  24           HG1      THR  24  13.976   1.892  -2.304
  173   HG21  THR  24          HG21      THR  24  17.392   1.720  -0.836
  174   HG22  THR  24          HG22      THR  24  16.910   0.631  -2.146
  175   HG23  THR  24          HG23      THR  24  15.865   0.838  -0.738
  176    H    ASP  25           HN       ASP  25  13.395   4.878  -0.111
  177    HA   ASP  25           HA       ASP  25  11.822   6.303  -0.796
  178    HB2  ASP  25           HB2      ASP  25  13.572   7.970  -1.004
  179    HB3  ASP  25           HB1      ASP  25  14.012   7.366  -2.600
  180    H    LEU  26           HN       LEU  26  10.070   6.286  -2.047
  181    HA   LEU  26           HA       LEU  26  10.280   4.472  -4.344
  182    HB2  LEU  26           HB2      LEU  26   7.956   4.877  -2.457
  183    HB3  LEU  26           HB1      LEU  26   7.918   3.858  -3.872
  184    HG   LEU  26           HG       LEU  26   8.154   2.390  -2.106
  185   HD11  LEU  26          HD11      LEU  26   9.642   1.795  -3.863
  186   HD12  LEU  26          HD12      LEU  26  10.363   1.365  -2.311
  187   HD13  LEU  26          HD13      LEU  26  10.925   2.790  -3.173
  188   HD21  LEU  26          HD21      LEU  26   9.801   2.576  -0.278
  189   HD22  LEU  26          HD22      LEU  26   8.689   3.945  -0.310
  190   HD23  LEU  26          HD23      LEU  26  10.329   4.128  -0.926
  191    H    SER  27           HN       SER  27  10.473   7.468  -4.322
  192    HA   SER  27           HA       SER  27   8.114   8.624  -5.295
  193    HB2  SER  27           HB2      SER  27  10.146   9.836  -4.454
  194    HB3  SER  27           HB1      SER  27  10.944   9.434  -5.970
  195    HG   SER  27           HG       SER  27   9.882  11.533  -5.676
  196    H    GLY  28           HN       GLY  28   7.032   8.029  -7.023
  197    HA2  GLY  28           HA2      GLY  28   7.021   8.198  -9.470
  198    HA3  GLY  28           HA1      GLY  28   8.497   7.236  -9.439
  199    H    ASP  29           HN       ASP  29   7.830   5.448 -10.470
  200    HA   ASP  29           HA       ASP  29   5.433   4.063  -9.492
  201    HB2  ASP  29           HB2      ASP  29   5.496   4.459 -11.912
  202    HB3  ASP  29           HB1      ASP  29   7.072   3.681 -12.011
  203    H    PHE  30           HN       PHE  30   5.743   2.352  -8.193
  204    HA   PHE  30           HA       PHE  30   8.288   0.930  -8.449
  205    HB2  PHE  30           HB2      PHE  30   8.629   0.814  -6.062
  206    HB3  PHE  30           HB1      PHE  30   8.414   2.497  -6.506
  207    HD1  PHE  30           HD1      PHE  30   5.961   3.447  -6.148
  208    HD2  PHE  30           HD2      PHE  30   7.492  -0.065  -4.285
  209    HE1  PHE  30           HE1      PHE  30   4.271   3.649  -4.365
  210    HE2  PHE  30           HE2      PHE  30   5.812   0.119  -2.511
  211    HZ   PHE  30           HZ       PHE  30   4.188   1.986  -2.547
  212    H    LEU  31           HN       LEU  31   5.347   0.493  -9.140
  213    HA   LEU  31           HA       LEU  31   4.133  -1.452  -7.549
  214    HB2  LEU  31           HB2      LEU  31   3.960  -1.207 -10.526
  215    HB3  LEU  31           HB1      LEU  31   2.930  -2.207  -9.539
  216    HG   LEU  31           HG       LEU  31   3.015   0.787  -9.678
  217   HD11  LEU  31          HD11      LEU  31   0.931  -1.296 -10.189
  218   HD12  LEU  31          HD12      LEU  31   1.848  -0.439 -11.420
  219   HD13  LEU  31          HD13      LEU  31   0.693   0.447 -10.390
  220   HD21  LEU  31          HD21      LEU  31   2.747   0.118  -7.320
  221   HD22  LEU  31          HD22      LEU  31   1.433  -0.962  -7.781
  222   HD23  LEU  31          HD23      LEU  31   1.248   0.783  -7.969
  223    H    ASP  32           HN       ASP  32   6.694  -1.851  -9.864
  224    HA   ASP  32           HA       ASP  32   6.306  -4.727  -9.895
  225    HB2  ASP  32           HB2      ASP  32   8.056  -2.893 -11.512
  226    HB3  ASP  32           HB1      ASP  32   8.138  -4.646 -11.626
  227    H    LEU  33           HN       LEU  33   7.968  -2.524  -8.112
  228    HA   LEU  33           HA       LEU  33  10.237  -4.235  -7.557
  229    HB2  LEU  33           HB2      LEU  33   9.331  -1.575  -6.424
  230    HB3  LEU  33           HB1      LEU  33  10.640  -2.484  -5.713
  231    HG   LEU  33           HG       LEU  33  11.951  -2.220  -7.797
  232   HD11  LEU  33          HD11      LEU  33  10.152  -2.031  -9.421
  233   HD12  LEU  33          HD12      LEU  33  11.245  -0.652  -9.523
  234   HD13  LEU  33          HD13      LEU  33   9.677  -0.482  -8.732
  235   HD21  LEU  33          HD21      LEU  33  12.413   0.165  -7.547
  236   HD22  LEU  33          HD22      LEU  33  12.218  -0.632  -5.986
  237   HD23  LEU  33          HD23      LEU  33  10.913   0.356  -6.638
  238    H    ARG  34           HN       ARG  34  10.163  -5.771  -6.080
  239    HA   ARG  34           HA       ARG  34   7.675  -6.327  -4.748
  240    HB2  ARG  34           HB2      ARG  34  10.390  -7.592  -4.378
  241    HB3  ARG  34           HB1      ARG  34   8.873  -8.227  -3.773
  242    HG2  ARG  34           HG2      ARG  34   8.101  -8.553  -6.074
  243    HG3  ARG  34           HG1      ARG  34   9.644  -7.928  -6.666
  244    HD2  ARG  34           HD2      ARG  34   9.605 -10.384  -6.634
  245    HD3  ARG  34           HD1      ARG  34  10.828  -9.729  -5.542
  246    HE   ARG  34           HE       ARG  34   8.362 -10.128  -4.207
  247   HH11  ARG  34          HH11      ARG  34  11.062 -12.038  -5.444
  248   HH12  ARG  34          HH12      ARG  34  10.952 -13.223  -4.223
  249   HH21  ARG  34          HH21      ARG  34   8.190 -11.658  -2.600
  250   HH22  ARG  34          HH22      ARG  34   9.194 -13.047  -2.558
  251    H    PHE  35           HN       PHE  35   7.223  -6.198  -2.530
  252    HA   PHE  35           HA       PHE  35   8.506  -4.137  -1.094
  253    HB2  PHE  35           HB2      PHE  35   6.784  -6.366   0.061
  254    HB3  PHE  35           HB1      PHE  35   7.270  -4.889   0.884
  255    HD1  PHE  35           HD1      PHE  35   6.662  -2.677  -0.569
  256    HD2  PHE  35           HD2      PHE  35   4.667  -6.416  -0.646
  257    HE1  PHE  35           HE1      PHE  35   4.589  -1.564  -1.313
  258    HE2  PHE  35           HE2      PHE  35   2.619  -5.330  -1.395
  259    HZ   PHE  35           HZ       PHE  35   2.552  -2.948  -1.732
  260    H    GLU  36           HN       GLU  36   8.886  -7.585  -1.128
  261    HA   GLU  36           HA       GLU  36  10.651  -8.015   0.970
  262    HB2  GLU  36           HB2      GLU  36   9.612  -9.783  -0.413
  263    HB3  GLU  36           HB1      GLU  36  10.663  -9.335  -1.748
  264    HG2  GLU  36           HG2      GLU  36  12.609  -9.897  -0.305
  265    HG3  GLU  36           HG1      GLU  36  11.475 -10.501   0.900
  266    H    ASP  37           HN       ASP  37  11.228  -6.724  -2.247
  267    HA   ASP  37           HA       ASP  37  14.097  -6.944  -2.084
  268    HB2  ASP  37           HB2      ASP  37  12.943  -7.194  -4.247
  269    HB3  ASP  37           HB1      ASP  37  12.324  -5.558  -4.111
  270    H    ILE  38           HN       ILE  38  11.647  -4.479  -1.670
  271    HA   ILE  38           HA       ILE  38  13.721  -2.477  -1.305
  272    HB   ILE  38           HB       ILE  38  11.871  -0.806  -1.145
  273   HG12  ILE  38          HG12      ILE  38  10.135  -3.200  -1.830
  274   HG13  ILE  38          HG11      ILE  38  10.109  -2.308  -0.316
  275   HG21  ILE  38          HG21      ILE  38  11.910  -2.535  -3.615
  276   HG22  ILE  38          HG22      ILE  38  13.010  -1.205  -3.250
  277   HG23  ILE  38          HG23      ILE  38  11.300  -0.882  -3.533
  278   HD11  ILE  38          HD11      ILE  38   9.334  -1.223  -3.017
  279   HD12  ILE  38          HD12      ILE  38   9.291  -0.332  -1.494
  280   HD13  ILE  38          HD13      ILE  38   8.229  -1.723  -1.735
  281    H    GLY  39           HN       GLY  39  12.781  -4.661   0.688
  282    HA2  GLY  39           HA2      GLY  39  13.229  -4.819   2.961
  283    HA3  GLY  39           HA1      GLY  39  13.604  -3.108   2.961
  284    H    TYR  40           HN       TYR  40  10.565  -4.643   2.038
  285    HA   TYR  40           HA       TYR  40   9.277  -3.353   4.341
  286    HB2  TYR  40           HB2      TYR  40   8.447  -3.693   1.514
  287    HB3  TYR  40           HB1      TYR  40   7.205  -3.789   2.746
  288    HD1  TYR  40           HD2      TYR  40   9.879  -1.690   1.373
  289    HD2  TYR  40           HD1      TYR  40   6.285  -1.779   3.627
  290    HE1  TYR  40           HE2      TYR  40   9.870   0.712   1.364
  291    HE2  TYR  40           HE1      TYR  40   6.233   0.682   3.647
  292    HH   TYR  40           HH       TYR  40   8.351   2.601   1.713
  293    H    ASP  41           HN       ASP  41   8.969  -4.881   5.818
  294    HA   ASP  41           HA       ASP  41   8.178  -7.527   4.951
  295    HB2  ASP  41           HB2      ASP  41   8.643  -6.451   7.722
  296    HB3  ASP  41           HB1      ASP  41   8.139  -8.087   7.386
  297    H    SER  42           HN       SER  42   6.329  -8.572   5.769
  298    HA   SER  42           HA       SER  42   4.027  -7.270   5.094
  299    HB2  SER  42           HB2      SER  42   2.837  -9.215   5.979
  300    HB3  SER  42           HB1      SER  42   4.264  -9.613   5.008
  301    HG   SER  42           HG       SER  42   5.276 -10.379   6.694
  302    H    LEU  43           HN       LEU  43   5.424  -7.438   8.314
  303    HA   LEU  43           HA       LEU  43   3.072  -6.688   9.694
  304    HB2  LEU  43           HB2      LEU  43   5.081  -7.693  10.766
  305    HB3  LEU  43           HB1      LEU  43   5.943  -6.195  10.501
  306    HG   LEU  43           HG       LEU  43   4.364  -5.038  12.002
  307   HD11  LEU  43          HD11      LEU  43   2.843  -6.351  13.388
  308   HD12  LEU  43          HD12      LEU  43   3.269  -7.802  12.480
  309   HD13  LEU  43          HD13      LEU  43   2.429  -6.476  11.678
  310   HD21  LEU  43          HD21      LEU  43   5.696  -7.471  13.191
  311   HD22  LEU  43          HD22      LEU  43   5.188  -6.035  14.082
  312   HD23  LEU  43          HD23      LEU  43   6.465  -5.915  12.874
  313    H    ALA  44           HN       ALA  44   5.873  -4.746   8.678
  314    HA   ALA  44           HA       ALA  44   4.851  -2.212   9.246
  315    HB1  ALA  44           HB1      ALA  44   6.746  -3.068   7.058
  316    HB2  ALA  44           HB2      ALA  44   7.198  -2.643   8.704
  317    HB3  ALA  44           HB3      ALA  44   6.525  -1.409   7.627
  318    H    LEU  45           HN       LEU  45   4.579  -4.263   6.447
  319    HA   LEU  45           HA       LEU  45   3.336  -2.501   4.677
  320    HB2  LEU  45           HB2      LEU  45   4.365  -4.573   3.999
  321    HB3  LEU  45           HB1      LEU  45   3.202  -5.495   4.924
  322    HG   LEU  45           HG       LEU  45   1.429  -4.810   3.377
  323   HD11  LEU  45          HD11      LEU  45   2.008  -3.645   1.322
  324   HD12  LEU  45          HD12      LEU  45   3.672  -3.471   1.893
  325   HD13  LEU  45          HD13      LEU  45   2.356  -2.641   2.736
  326   HD21  LEU  45          HD21      LEU  45   2.690  -6.849   2.986
  327   HD22  LEU  45          HD22      LEU  45   3.878  -5.925   2.059
  328   HD23  LEU  45          HD23      LEU  45   2.226  -6.084   1.460
  329    H    MET  46           HN       MET  46   1.914  -4.911   6.907
  330    HA   MET  46           HA       MET  46  -0.765  -4.278   6.304
  331    HB2  MET  46           HB2      MET  46   0.317  -5.488   8.862
  332    HB3  MET  46           HB1      MET  46  -1.382  -5.358   8.394
  333    HG2  MET  46           HG2      MET  46  -1.052  -6.822   6.536
  334    HG3  MET  46           HG1      MET  46   0.684  -6.878   6.838
  335    HE1  MET  46           HE1      MET  46   0.739  -7.041  10.037
  336    HE2  MET  46           HE2      MET  46   1.770  -8.010   8.986
  337    HE3  MET  46           HE3      MET  46   0.838  -8.788  10.264
  338    H    GLU  47           HN       GLU  47   1.471  -2.966   8.690
  339    HA   GLU  47           HA       GLU  47  -0.339  -1.276  10.027
  340    HB2  GLU  47           HB2      GLU  47   1.952  -1.697  10.837
  341    HB3  GLU  47           HB1      GLU  47   2.602  -0.836   9.448
  342    HG2  GLU  47           HG2      GLU  47   1.486   1.218  10.245
  343    HG3  GLU  47           HG1      GLU  47   0.946   0.339  11.671
  344    H    THR  48           HN       THR  48   1.194  -1.051   7.019
  345    HA   THR  48           HA       THR  48   0.888   1.746   6.451
  346    HB   THR  48           HB       THR  48   1.151  -0.610   4.547
  347    HG1  THR  48           HG1      THR  48   2.932  -0.414   6.051
  348   HG21  THR  48          HG21      THR  48   0.366   1.451   3.453
  349   HG22  THR  48          HG22      THR  48   2.002   1.042   2.948
  350   HG23  THR  48          HG23      THR  48   1.737   2.330   4.126
  351    H    ALA  49           HN       ALA  49  -0.707  -1.186   5.294
  352    HA   ALA  49           HA       ALA  49  -2.942  -0.057   4.083
  353    HB1  ALA  49           HB1      ALA  49  -2.223  -2.387   3.781
  354    HB2  ALA  49           HB2      ALA  49  -3.917  -2.283   4.266
  355    HB3  ALA  49           HB3      ALA  49  -2.689  -2.737   5.447
  356    H    ALA  50           HN       ALA  50  -2.340  -0.944   7.434
  357    HA   ALA  50           HA       ALA  50  -4.820  -0.756   8.418
  358    HB1  ALA  50           HB1      ALA  50  -2.978  -1.600   9.733
  359    HB2  ALA  50           HB2      ALA  50  -3.847  -0.344  10.622
  360    HB3  ALA  50           HB3      ALA  50  -2.300   0.027   9.861
  361    H    ARG  51           HN       ARG  51  -2.437   1.760   8.002
  362    HA   ARG  51           HA       ARG  51  -3.833   3.938   9.140
  363    HB2  ARG  51           HB2      ARG  51  -1.758   4.012   6.924
  364    HB3  ARG  51           HB1      ARG  51  -2.199   5.347   7.983
  365    HG2  ARG  51           HG2      ARG  51  -1.298   4.161   9.898
  366    HG3  ARG  51           HG1      ARG  51  -0.922   2.772   8.884
  367    HD2  ARG  51           HD2      ARG  51   0.593   4.276   7.562
  368    HD3  ARG  51           HD1      ARG  51   0.316   5.521   8.779
  369    HE   ARG  51           HE       ARG  51   1.429   2.893   9.486
  370   HH11  ARG  51          HH11      ARG  51   1.605   6.448   9.708
  371   HH12  ARG  51          HH12      ARG  51   3.029   6.440  10.643
  372   HH21  ARG  51          HH21      ARG  51   3.491   2.937  10.739
  373   HH22  ARG  51          HH22      ARG  51   4.123   4.451  11.172
  374    H    LEU  52           HN       LEU  52  -3.729   2.560   5.934
  375    HA   LEU  52           HA       LEU  52  -5.336   4.472   4.623
  376    HB2  LEU  52           HB2      LEU  52  -4.645   1.615   4.018
  377    HB3  LEU  52           HB1      LEU  52  -5.585   2.606   2.925
  378    HG   LEU  52           HG       LEU  52  -2.775   3.246   3.824
  379   HD11  LEU  52          HD11      LEU  52  -3.773   2.086   1.225
  380   HD12  LEU  52          HD12      LEU  52  -2.829   1.233   2.446
  381   HD13  LEU  52          HD13      LEU  52  -2.117   2.585   1.569
  382   HD21  LEU  52          HD21      LEU  52  -2.849   4.893   2.021
  383   HD22  LEU  52          HD22      LEU  52  -4.101   5.206   3.225
  384   HD23  LEU  52          HD23      LEU  52  -4.526   4.459   1.687
  385    H    GLU  53           HN       GLU  53  -6.070   1.324   6.096
  386    HA   GLU  53           HA       GLU  53  -8.785   1.096   5.578
  387    HB2  GLU  53           HB2      GLU  53  -7.320   0.366   8.108
  388    HB3  GLU  53           HB1      GLU  53  -8.957  -0.122   7.734
  389    HG2  GLU  53           HG2      GLU  53  -8.121  -1.412   5.843
  390    HG3  GLU  53           HG1      GLU  53  -6.473  -0.912   6.247
  391    H    SER  54           HN       SER  54  -7.193   2.564   8.347
  392    HA   SER  54           HA       SER  54  -9.503   3.402   9.658
  393    HB2  SER  54           HB2      SER  54  -6.770   4.657   9.805
  394    HB3  SER  54           HB1      SER  54  -8.032   4.693  11.039
  395    HG   SER  54           HG       SER  54  -6.182   2.809  10.505
  396    H    ARG  55           HN       ARG  55  -7.344   5.259   7.470
  397    HA   ARG  55           HA       ARG  55  -8.782   7.670   7.724
  398    HB2  ARG  55           HB2      ARG  55  -6.492   7.645   6.866
  399    HB3  ARG  55           HB1      ARG  55  -7.035   6.796   5.419
  400    HG2  ARG  55           HG2      ARG  55  -8.615   8.767   5.065
  401    HG3  ARG  55           HG1      ARG  55  -7.646   9.606   6.270
  402    HD2  ARG  55           HD2      ARG  55  -6.536   8.380   3.760
  403    HD3  ARG  55           HD1      ARG  55  -7.063  10.048   3.878
  404    HE   ARG  55           HE       ARG  55  -4.865   8.916   5.471
  405   HH11  ARG  55          HH11      ARG  55  -6.361  11.488   3.540
  406   HH12  ARG  55          HH12      ARG  55  -5.020  12.518   3.510
  407   HH21  ARG  55          HH21      ARG  55  -2.854  10.360   5.379
  408   HH22  ARG  55          HH22      ARG  55  -2.988  11.822   4.530
  409    H    TYR  56           HN       TYR  56  -8.983   5.108   5.242
  410    HA   TYR  56           HA       TYR  56 -10.969   6.718   3.860
  411    HB2  TYR  56           HB2      TYR  56  -9.527   4.209   3.010
  412    HB3  TYR  56           HB1      TYR  56 -10.749   5.023   2.033
  413    HD1  TYR  56           HD1      TYR  56 -10.296   7.402   1.264
  414    HD2  TYR  56           HD2      TYR  56  -7.310   4.966   3.055
  415    HE1  TYR  56           HE1      TYR  56  -8.549   8.851   0.312
  416    HE2  TYR  56           HE2      TYR  56  -5.561   6.409   2.117
  417    HH   TYR  56           HH       TYR  56  -6.193   9.447   0.636
  418    H    GLY  57           HN       GLY  57 -11.153   4.623   6.278
  419    HA2  GLY  57           HA2      GLY  57 -12.935   3.555   7.248
  420    HA3  GLY  57           HA1      GLY  57 -13.954   4.362   6.064
  421    H    VAL  58           HN       VAL  58 -11.471   1.879   6.004
  422    HA   VAL  58           HA       VAL  58 -13.366   0.089   4.740
  423    HB   VAL  58           HB       VAL  58 -12.038   1.321   2.967
  424   HG11  VAL  58          HG11      VAL  58  -9.723   0.672   2.518
  425   HG12  VAL  58          HG12      VAL  58  -9.693  -0.177   4.063
  426   HG13  VAL  58          HG13      VAL  58  -9.937   1.570   4.022
  427   HG21  VAL  58          HG21      VAL  58 -13.072  -0.787   2.392
  428   HG22  VAL  58          HG22      VAL  58 -11.687  -1.675   3.023
  429   HG23  VAL  58          HG23      VAL  58 -11.508  -0.662   1.589
  430    H    SER  59           HN       SER  59 -12.110  -2.208   4.578
  431    HA   SER  59           HA       SER  59 -10.304  -2.488   6.815
  432    HB2  SER  59           HB2      SER  59 -12.890  -4.023   6.438
  433    HB3  SER  59           HB1      SER  59 -11.635  -4.447   7.607
  434    HG   SER  59           HG       SER  59 -11.880  -2.379   8.494
  435    H    ILE  60           HN       ILE  60  -8.830  -4.053   6.518
  436    HA   ILE  60           HA       ILE  60  -8.965  -5.666   4.053
  437    HB   ILE  60           HB       ILE  60  -6.492  -4.285   5.157
  438   HG12  ILE  60          HG12      ILE  60  -7.998  -3.621   2.615
  439   HG13  ILE  60          HG11      ILE  60  -8.114  -2.692   4.106
  440   HG21  ILE  60          HG21      ILE  60  -6.894  -5.884   2.625
  441   HG22  ILE  60          HG22      ILE  60  -5.985  -6.390   4.048
  442   HG23  ILE  60          HG23      ILE  60  -5.415  -5.033   3.073
  443   HD11  ILE  60          HD11      ILE  60  -5.743  -2.184   3.974
  444   HD12  ILE  60          HD12      ILE  60  -6.592  -1.644   2.521
  445   HD13  ILE  60          HD13      ILE  60  -5.617  -3.116   2.486
  446    HA   PRO  61           HA       PRO  61  -8.168  -8.801   7.209
  447    HB2  PRO  61           HB2      PRO  61  -7.749 -10.476   4.793
  448    HB3  PRO  61           HB1      PRO  61  -8.850 -10.733   6.151
  449    HG2  PRO  61           HG2      PRO  61  -9.768  -9.987   3.760
  450    HG3  PRO  61           HG1      PRO  61 -10.485  -9.361   5.258
  451    HD2  PRO  61           HD2      PRO  61  -8.569  -8.042   3.380
  452    HD3  PRO  61           HD1      PRO  61  -9.974  -7.354   4.222
  453    H    ASP  62           HN       ASP  62  -6.301  -8.988   8.097
  454    HA   ASP  62           HA       ASP  62  -3.844  -8.125   7.170
  455    HB2  ASP  62           HB2      ASP  62  -2.817  -9.153   9.104
  456    HB3  ASP  62           HB1      ASP  62  -4.372  -8.480   9.569
  457    H    ASP  63           HN       ASP  63  -5.205 -11.358   6.821
  458    HA   ASP  63           HA       ASP  63  -2.756 -12.591   6.064
  459    HB2  ASP  63           HB2      ASP  63  -4.616 -13.974   6.783
  460    HB3  ASP  63           HB1      ASP  63  -5.602 -13.396   5.444
  461    H    VAL  64           HN       VAL  64  -5.274 -10.968   4.313
  462    HA   VAL  64           HA       VAL  64  -4.173 -11.550   1.716
  463    HB   VAL  64           HB       VAL  64  -6.136  -9.341   2.433
  464   HG11  VAL  64          HG11      VAL  64  -5.201  -9.164   0.204
  465   HG12  VAL  64          HG12      VAL  64  -6.904  -9.615   0.118
  466   HG13  VAL  64          HG13      VAL  64  -5.654 -10.831  -0.140
  467   HG21  VAL  64          HG21      VAL  64  -6.750 -12.214   1.732
  468   HG22  VAL  64          HG22      VAL  64  -7.939 -10.921   1.898
  469   HG23  VAL  64          HG23      VAL  64  -7.005 -11.444   3.300
  470    H    ALA  65           HN       ALA  65  -4.220  -8.846   3.981
  471    HA   ALA  65           HA       ALA  65  -2.689  -6.996   2.553
  472    HB1  ALA  65           HB1      ALA  65  -2.260  -5.928   4.701
  473    HB2  ALA  65           HB2      ALA  65  -2.794  -7.384   5.544
  474    HB3  ALA  65           HB3      ALA  65  -3.942  -6.447   4.592
  475    H    GLY  66           HN       GLY  66  -1.688  -9.814   4.361
  476    HA2  GLY  66           HA2      GLY  66   1.124  -9.100   3.979
  477    HA3  GLY  66           HA1      GLY  66   0.515 -10.412   4.982
  478    H    ARG  67           HN       ARG  67  -1.047 -10.302   2.030
  479    HA   ARG  67           HA       ARG  67   0.521 -12.583   1.015
  480    HB2  ARG  67           HB2      ARG  67  -1.951 -12.803   1.349
  481    HB3  ARG  67           HB1      ARG  67  -2.188 -11.531   0.166
  482    HG2  ARG  67           HG2      ARG  67  -1.085 -12.998  -1.525
  483    HG3  ARG  67           HG1      ARG  67  -1.060 -14.282  -0.307
  484    HD2  ARG  67           HD2      ARG  67  -3.490 -12.898  -1.441
  485    HD3  ARG  67           HD1      ARG  67  -2.999 -14.570  -1.710
  486    HE   ARG  67           HE       ARG  67  -3.229 -14.554   0.921
  487   HH11  ARG  67          HH11      ARG  67  -5.461 -13.256  -1.537
  488   HH12  ARG  67          HH12      ARG  67  -6.862 -13.491  -0.610
  489   HH21  ARG  67          HH21      ARG  67  -5.145 -14.811   2.245
  490   HH22  ARG  67          HH22      ARG  67  -6.670 -14.436   1.606
  491    H    VAL  68           HN       VAL  68  -0.330  -9.321   0.471
  492    HA   VAL  68           HA       VAL  68   0.331  -9.269  -2.310
  493    HB   VAL  68           HB       VAL  68  -0.049  -6.786  -2.096
  494   HG11  VAL  68          HG11      VAL  68  -2.214  -8.563  -0.975
  495   HG12  VAL  68          HG12      VAL  68  -1.869  -8.295  -2.682
  496   HG13  VAL  68          HG13      VAL  68  -2.463  -6.967  -1.683
  497   HG21  VAL  68          HG21      VAL  68  -1.024  -5.920  -0.029
  498   HG22  VAL  68          HG22      VAL  68   0.615  -6.504   0.256
  499   HG23  VAL  68          HG23      VAL  68  -0.769  -7.478   0.760
  500    H    ASP  69           HN       ASP  69   2.360  -9.751  -2.677
  501    HA   ASP  69           HA       ASP  69   4.554  -8.669  -1.076
  502    HB2  ASP  69           HB2      ASP  69   4.551 -11.040  -1.771
  503    HB3  ASP  69           HB1      ASP  69   4.480 -10.536  -3.435
  504    H    THR  70           HN       THR  70   2.969  -7.975  -3.991
  505    HA   THR  70           HA       THR  70   5.077  -6.053  -4.531
  506    HB   THR  70           HB       THR  70   4.422  -6.236  -6.952
  507    HG1  THR  70           HG1      THR  70   3.162  -8.676  -6.248
  508   HG21  THR  70          HG21      THR  70   5.535  -8.454  -7.283
  509   HG22  THR  70          HG22      THR  70   5.383  -8.712  -5.528
  510   HG23  THR  70          HG23      THR  70   6.380  -7.402  -6.140
  511    HA   PRO  71           HA       PRO  71   2.191  -2.838  -3.789
  512    HB2  PRO  71           HB2      PRO  71   3.366  -1.585  -6.215
  513    HB3  PRO  71           HB1      PRO  71   3.154  -0.922  -4.589
  514    HG2  PRO  71           HG2      PRO  71   5.550  -1.708  -5.396
  515    HG3  PRO  71           HG1      PRO  71   4.996  -2.048  -3.746
  516    HD2  PRO  71           HD2      PRO  71   5.171  -3.874  -6.098
  517    HD3  PRO  71           HD1      PRO  71   5.519  -4.199  -4.386
  518    H    ARG  72           HN       ARG  72   2.502  -3.962  -7.126
  519    HA   ARG  72           HA       ARG  72   0.181  -2.875  -8.177
  520    HB2  ARG  72           HB2      ARG  72   0.220  -4.613  -9.875
  521    HB3  ARG  72           HB1      ARG  72   1.869  -4.120  -9.531
  522    HG2  ARG  72           HG2      ARG  72   2.195  -6.106  -8.168
  523    HG3  ARG  72           HG1      ARG  72   0.521  -6.578  -8.443
  524    HD2  ARG  72           HD2      ARG  72   1.875  -7.864  -9.894
  525    HD3  ARG  72           HD1      ARG  72   1.045  -6.662 -10.881
  526    HE   ARG  72           HE       ARG  72   3.073  -5.492 -11.129
  527   HH11  ARG  72          HH11      ARG  72   3.464  -8.503  -9.289
  528   HH12  ARG  72          HH12      ARG  72   5.120  -8.675  -9.706
  529   HH21  ARG  72          HH21      ARG  72   5.313  -5.816 -11.744
  530   HH22  ARG  72          HH22      ARG  72   6.166  -7.159 -11.146
  531    H    GLU  73           HN       GLU  73   0.548  -5.858  -6.283
  532    HA   GLU  73           HA       GLU  73  -2.094  -6.809  -6.522
  533    HB2  GLU  73           HB2      GLU  73  -0.067  -7.265  -4.331
  534    HB3  GLU  73           HB1      GLU  73  -1.523  -8.205  -4.582
  535    HG2  GLU  73           HG2      GLU  73   0.809  -8.023  -6.468
  536    HG3  GLU  73           HG1      GLU  73   0.449  -9.364  -5.382
  537    H    LEU  74           HN       LEU  74  -0.428  -4.930  -4.069
  538    HA   LEU  74           HA       LEU  74  -2.614  -4.772  -2.291
  539    HB2  LEU  74           HB2      LEU  74  -0.255  -4.571  -1.590
  540    HB3  LEU  74           HB1      LEU  74  -0.101  -3.082  -2.476
  541    HG   LEU  74           HG       LEU  74  -0.256  -2.910   0.066
  542   HD11  LEU  74          HD11      LEU  74  -0.518  -0.980  -1.324
  543   HD12  LEU  74          HD12      LEU  74  -1.618  -0.919   0.053
  544   HD13  LEU  74          HD13      LEU  74  -2.226  -1.349  -1.546
  545   HD21  LEU  74          HD21      LEU  74  -2.044  -4.518   0.461
  546   HD22  LEU  74          HD22      LEU  74  -3.155  -3.528  -0.482
  547   HD23  LEU  74          HD23      LEU  74  -2.505  -2.916   1.037
  548    H    LEU  75           HN       LEU  75  -1.364  -2.538  -4.745
  549    HA   LEU  75           HA       LEU  75  -3.160  -0.431  -4.358
  550    HB2  LEU  75           HB2      LEU  75  -1.165  -0.364  -5.842
  551    HB3  LEU  75           HB1      LEU  75  -1.988  -1.426  -6.963
  552    HG   LEU  75           HG       LEU  75  -3.706   0.325  -7.317
  553   HD11  LEU  75          HD11      LEU  75  -3.262   2.597  -6.533
  554   HD12  LEU  75          HD12      LEU  75  -1.878   2.008  -5.613
  555   HD13  LEU  75          HD13      LEU  75  -3.508   1.476  -5.194
  556   HD21  LEU  75          HD21      LEU  75  -2.277   1.816  -8.645
  557   HD22  LEU  75          HD22      LEU  75  -1.819   0.124  -8.848
  558   HD23  LEU  75          HD23      LEU  75  -0.855   1.180  -7.817
  559    H    ASP  76           HN       ASP  76  -3.364  -3.259  -6.471
  560    HA   ASP  76           HA       ASP  76  -5.879  -2.787  -7.622
  561    HB2  ASP  76           HB2      ASP  76  -4.318  -4.441  -8.509
  562    HB3  ASP  76           HB1      ASP  76  -4.483  -5.412  -7.056
  563    H    LEU  77           HN       LEU  77  -4.967  -4.537  -4.729
  564    HA   LEU  77           HA       LEU  77  -7.413  -5.608  -3.915
  565    HB2  LEU  77           HB2      LEU  77  -5.083  -6.033  -2.997
  566    HB3  LEU  77           HB1      LEU  77  -5.196  -4.514  -2.159
  567    HG   LEU  77           HG       LEU  77  -6.898  -6.968  -1.605
  568   HD11  LEU  77          HD11      LEU  77  -4.579  -7.276  -1.000
  569   HD12  LEU  77          HD12      LEU  77  -5.579  -7.115   0.444
  570   HD13  LEU  77          HD13      LEU  77  -4.593  -5.758  -0.101
  571   HD21  LEU  77          HD21      LEU  77  -7.608  -5.800   0.436
  572   HD22  LEU  77          HD22      LEU  77  -8.087  -4.889  -0.995
  573   HD23  LEU  77          HD23      LEU  77  -6.689  -4.374  -0.051
  574    H    ILE  78           HN       ILE  78  -5.818  -2.602  -2.899
  575    HA   ILE  78           HA       ILE  78  -8.073  -1.782  -1.415
  576    HB   ILE  78           HB       ILE  78  -5.673  -0.105  -2.237
  577   HG12  ILE  78          HG12      ILE  78  -6.259  -1.676   0.284
  578   HG13  ILE  78          HG11      ILE  78  -5.085  -2.106  -0.953
  579   HG21  ILE  78          HG21      ILE  78  -6.316   1.338  -0.353
  580   HG22  ILE  78          HG22      ILE  78  -7.735   0.337  -0.059
  581   HG23  ILE  78          HG23      ILE  78  -7.606   1.271  -1.554
  582   HD11  ILE  78          HD11      ILE  78  -4.980   0.317   0.831
  583   HD12  ILE  78          HD12      ILE  78  -3.812  -0.096  -0.427
  584   HD13  ILE  78          HD13      ILE  78  -3.997  -1.143   0.969
  585    H    ASN  79           HN       ASN  79  -7.057  -1.159  -4.702
  586    HA   ASN  79           HA       ASN  79  -8.867   0.942  -5.285
  587    HB2  ASN  79           HB2      ASN  79  -7.548  -1.163  -6.987
  588    HB3  ASN  79           HB1      ASN  79  -8.831  -0.192  -7.681
  589   HD21  ASN  79          HD21      ASN  79  -6.624   1.196  -5.336
  590   HD22  ASN  79          HD22      ASN  79  -5.766   2.177  -6.479
  591    H    GLY  80           HN       GLY  80  -9.291  -2.561  -5.402
  592    HA2  GLY  80           HA2      GLY  80 -11.975  -2.491  -6.325
  593    HA3  GLY  80           HA1      GLY  80 -11.187  -3.843  -5.521
  594    H    ALA  81           HN       ALA  81 -10.508  -2.583  -3.141
  595    HA   ALA  81           HA       ALA  81 -12.916  -2.831  -1.676
  596    HB1  ALA  81           HB1      ALA  81 -11.554  -2.287   0.276
  597    HB2  ALA  81           HB2      ALA  81 -10.246  -1.748  -0.777
  598    HB3  ALA  81           HB3      ALA  81 -10.722  -3.445  -0.763
  599    H    LEU  82           HN       LEU  82 -11.060  -0.056  -2.780
  600    HA   LEU  82           HA       LEU  82 -12.477   1.897  -1.336
  601    HB2  LEU  82           HB2      LEU  82 -10.704   1.961  -3.722
  602    HB3  LEU  82           HB1      LEU  82 -11.457   3.432  -3.186
  603    HG   LEU  82           HG       LEU  82  -9.557   1.704  -1.598
  604   HD11  LEU  82          HD11      LEU  82  -9.219   4.449  -2.769
  605   HD12  LEU  82          HD12      LEU  82  -8.495   2.963  -3.394
  606   HD13  LEU  82          HD13      LEU  82  -8.031   3.573  -1.806
  607   HD21  LEU  82          HD21      LEU  82 -11.205   2.749  -0.138
  608   HD22  LEU  82          HD22      LEU  82 -10.856   4.324  -0.855
  609   HD23  LEU  82          HD23      LEU  82  -9.616   3.484   0.077
  610    H    ALA  83           HN       ALA  83 -13.011   0.374  -4.406
  611    HA   ALA  83           HA       ALA  83 -14.966   2.124  -5.412
  612    HB1  ALA  83           HB1      ALA  83 -13.844   0.423  -6.779
  613    HB2  ALA  83           HB2      ALA  83 -15.597   0.277  -6.883
  614    HB3  ALA  83           HB3      ALA  83 -14.674  -0.845  -5.881
  615    H    GLU  84           HN       GLU  84 -15.078  -0.108  -2.848
  616    HA   GLU  84           HA       GLU  84 -17.983   0.235  -2.624
  617    HB2  GLU  84           HB2      GLU  84 -18.038  -2.046  -1.603
  618    HB3  GLU  84           HB1      GLU  84 -17.618  -2.037  -3.309
  619    HG2  GLU  84           HG2      GLU  84 -15.286  -2.340  -2.766
  620    HG3  GLU  84           HG1      GLU  84 -15.652  -2.246  -1.045
  621    H    ALA  85           HN       ALA  85 -15.751   1.752  -1.493
  622    HA   ALA  85           HA       ALA  85 -15.528   0.949   1.256
  623    HB1  ALA  85           HB1      ALA  85 -14.637   3.505  -0.091
  624    HB2  ALA  85           HB2      ALA  85 -13.644   2.068   0.172
  625    HB3  ALA  85           HB3      ALA  85 -14.222   3.004   1.548
  626    H    ALA  86           HN       ALA  86 -17.238   1.108   2.448
  627    HA   ALA  86           HA       ALA  86 -18.622   3.657   2.624
  628    HB1  ALA  86           HB1      ALA  86 -20.815   2.525   2.655
  629    HB2  ALA  86           HB2      ALA  86 -20.021   0.990   2.299
  630    HB3  ALA  86           HB3      ALA  86 -19.997   2.290   1.109
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1 -17.068   7.923  -1.774
    2    H2   MET   1           HT2      MET   1 -16.144   9.217  -2.205
    3    H3   MET   1           HT3      MET   1 -17.743   9.494  -1.816
    4    HA   MET   1           HA       MET   1 -16.410  10.236  -0.028
    5    HB2  MET   1           HB2      MET   1 -17.299   7.421   0.666
    6    HB3  MET   1           HB1      MET   1 -16.873   8.663   1.833
    7    HG2  MET   1           HG2      MET   1 -19.169   8.788  -0.107
    8    HG3  MET   1           HG1      MET   1 -19.284   8.398   1.607
    9    HE1  MET   1           HE1      MET   1 -18.834  10.148   3.569
   10    HE2  MET   1           HE2      MET   1 -18.266  11.794   3.286
   11    HE3  MET   1           HE3      MET   1 -17.218  10.426   2.918
   12    H    ALA   2           HN       ALA   2 -15.455   6.882  -0.864
   13    HA   ALA   2           HA       ALA   2 -12.954   7.159   0.490
   14    HB1  ALA   2           HB1      ALA   2 -13.883   5.043  -1.453
   15    HB2  ALA   2           HB2      ALA   2 -14.078   4.991   0.301
   16    HB3  ALA   2           HB3      ALA   2 -12.465   4.946  -0.408
   17    H    THR   3           HN       THR   3 -11.175   7.979  -0.279
   18    HA   THR   3           HA       THR   3 -10.901   8.831  -3.082
   19    HB   THR   3           HB       THR   3  -8.930   9.004  -0.892
   20    HG1  THR   3           HG1      THR   3 -11.275  10.618  -1.292
   21   HG21  THR   3          HG21      THR   3  -8.232   9.693  -3.115
   22   HG22  THR   3          HG22      THR   3  -8.299  11.099  -2.052
   23   HG23  THR   3          HG23      THR   3  -9.592  10.810  -3.214
   24    H    LEU   4           HN       LEU   4 -10.230   7.644  -4.510
   25    HA   LEU   4           HA       LEU   4  -9.131   5.116  -3.924
   26    HB2  LEU   4           HB2      LEU   4 -10.618   5.879  -5.899
   27    HB3  LEU   4           HB1      LEU   4  -9.090   6.463  -6.558
   28    HG   LEU   4           HG       LEU   4  -8.179   4.264  -6.232
   29   HD11  LEU   4          HD11      LEU   4  -9.751   3.323  -4.666
   30   HD12  LEU   4          HD12      LEU   4  -9.781   2.338  -6.131
   31   HD13  LEU   4          HD13      LEU   4 -11.071   3.500  -5.821
   32   HD21  LEU   4          HD21      LEU   4 -10.478   4.522  -8.176
   33   HD22  LEU   4          HD22      LEU   4  -9.202   3.310  -8.296
   34   HD23  LEU   4          HD23      LEU   4  -8.806   5.024  -8.443
   35    H    LEU   5           HN       LEU   5  -7.087   4.411  -4.599
   36    HA   LEU   5           HA       LEU   5  -4.984   6.324  -4.034
   37    HB2  LEU   5           HB2      LEU   5  -5.027   3.332  -4.222
   38    HB3  LEU   5           HB1      LEU   5  -3.646   4.302  -3.772
   39    HG   LEU   5           HG       LEU   5  -6.217   4.194  -2.196
   40   HD11  LEU   5          HD11      LEU   5  -4.969   2.775  -0.643
   41   HD12  LEU   5          HD12      LEU   5  -3.595   2.770  -1.750
   42   HD13  LEU   5          HD13      LEU   5  -5.115   2.013  -2.227
   43   HD21  LEU   5          HD21      LEU   5  -4.907   6.231  -1.896
   44   HD22  LEU   5          HD22      LEU   5  -3.478   5.258  -1.537
   45   HD23  LEU   5          HD23      LEU   5  -4.868   5.220  -0.453
   46    H    THR   6           HN       THR   6  -3.746   7.105  -5.671
   47    HA   THR   6           HA       THR   6  -3.352   5.457  -8.052
   48    HB   THR   6           HB       THR   6  -2.028   7.432  -8.887
   49    HG1  THR   6           HG1      THR   6  -2.976   8.725  -6.524
   50   HG21  THR   6          HG21      THR   6  -4.417   7.310  -9.435
   51   HG22  THR   6          HG22      THR   6  -3.910   8.986  -9.211
   52   HG23  THR   6          HG23      THR   6  -4.807   8.156  -7.937
   53    H    THR   7           HN       THR   7  -0.700   5.824  -8.683
   54    HA   THR   7           HA       THR   7   0.737   4.316  -6.863
   55    HB   THR   7           HB       THR   7   1.887   6.342  -8.821
   56    HG1  THR   7           HG1      THR   7   2.089   4.002  -9.883
   57   HG21  THR   7          HG21      THR   7   3.054   3.825  -7.621
   58   HG22  THR   7          HG22      THR   7   3.510   5.473  -7.182
   59   HG23  THR   7          HG23      THR   7   3.854   4.861  -8.802
   60    H    ASP   8           HN       ASP   8   0.607   7.859  -7.255
   61    HA   ASP   8           HA       ASP   8   2.459   8.444  -5.200
   62    HB2  ASP   8           HB2      ASP   8   1.930  10.118  -6.879
   63    HB3  ASP   8           HB1      ASP   8   0.269  10.211  -6.300
   64    H    ASP   9           HN       ASP   9  -1.059   8.125  -5.095
   65    HA   ASP   9           HA       ASP   9  -1.362   9.030  -2.398
   66    HB2  ASP   9           HB2      ASP   9  -3.102   7.040  -3.892
   67    HB3  ASP   9           HB1      ASP   9  -3.500   7.743  -2.339
   68    H    LEU  10           HN       LEU  10  -0.807   5.919  -3.871
   69    HA   LEU  10           HA       LEU  10  -0.875   4.355  -1.529
   70    HB2  LEU  10           HB2      LEU  10  -0.950   3.614  -3.979
   71    HB3  LEU  10           HB1      LEU  10   0.783   3.850  -3.999
   72    HG   LEU  10           HG       LEU  10   0.952   2.153  -2.167
   73   HD11  LEU  10          HD11      LEU  10  -0.991   0.688  -1.814
   74   HD12  LEU  10          HD12      LEU  10  -1.961   1.759  -2.829
   75   HD13  LEU  10          HD13      LEU  10  -1.308   2.346  -1.306
   76   HD21  LEU  10          HD21      LEU  10   1.385   1.573  -4.506
   77   HD22  LEU  10          HD22      LEU  10  -0.334   1.253  -4.750
   78   HD23  LEU  10          HD23      LEU  10   0.607   0.236  -3.659
   79    H    ARG  11           HN       ARG  11   1.766   5.734  -3.429
   80    HA   ARG  11           HA       ARG  11   4.052   5.110  -2.077
   81    HB2  ARG  11           HB2      ARG  11   4.052   6.334  -4.140
   82    HB3  ARG  11           HB1      ARG  11   3.252   7.702  -3.390
   83    HG2  ARG  11           HG2      ARG  11   5.297   8.016  -1.989
   84    HG3  ARG  11           HG1      ARG  11   6.075   6.757  -2.951
   85    HD2  ARG  11           HD2      ARG  11   4.926   9.348  -3.995
   86    HD3  ARG  11           HD1      ARG  11   6.635   8.974  -3.806
   87    HE   ARG  11           HE       ARG  11   6.110   7.080  -5.410
   88   HH11  ARG  11          HH11      ARG  11   4.587  10.309  -5.593
   89   HH12  ARG  11          HH12      ARG  11   4.314  10.225  -7.261
   90   HH21  ARG  11          HH21      ARG  11   5.625   6.997  -7.707
   91   HH22  ARG  11          HH22      ARG  11   4.811   8.286  -8.476
   92    H    ARG  12           HN       ARG  12   1.907   7.838  -1.427
   93    HA   ARG  12           HA       ARG  12   3.337   9.100   0.590
   94    HB2  ARG  12           HB2      ARG  12   1.279   9.884  -0.668
   95    HB3  ARG  12           HB1      ARG  12   0.339   8.925   0.462
   96    HG2  ARG  12           HG2      ARG  12   1.166  10.283   2.318
   97    HG3  ARG  12           HG1      ARG  12   2.151  11.227   1.192
   98    HD2  ARG  12           HD2      ARG  12  -0.854  11.041   1.299
   99    HD3  ARG  12           HD1      ARG  12   0.147  12.466   1.592
  100    HE   ARG  12           HE       ARG  12   0.874  11.844  -0.879
  101   HH11  ARG  12          HH11      ARG  12  -2.376  12.385   0.505
  102   HH12  ARG  12          HH12      ARG  12  -3.111  12.577  -1.002
  103   HH21  ARG  12          HH21      ARG  12  -0.182  12.109  -2.964
  104   HH22  ARG  12          HH22      ARG  12  -1.846  12.463  -3.003
  105    H    ALA  13           HN       ALA  13   0.814   6.627   0.815
  106    HA   ALA  13           HA       ALA  13   0.769   6.465   3.627
  107    HB1  ALA  13           HB1      ALA  13  -1.062   5.667   2.219
  108    HB2  ALA  13           HB2      ALA  13  -0.486   4.403   3.308
  109    HB3  ALA  13           HB3      ALA  13  -0.026   4.379   1.604
  110    H    LEU  14           HN       LEU  14   2.599   4.694   1.159
  111    HA   LEU  14           HA       LEU  14   3.825   2.860   2.891
  112    HB2  LEU  14           HB2      LEU  14   4.550   3.976   0.196
  113    HB3  LEU  14           HB1      LEU  14   5.708   2.997   1.059
  114    HG   LEU  14           HG       LEU  14   4.529   1.749  -0.652
  115   HD11  LEU  14          HD11      LEU  14   3.812   0.834   2.118
  116   HD12  LEU  14          HD12      LEU  14   5.323   0.528   1.262
  117   HD13  LEU  14          HD13      LEU  14   3.818  -0.178   0.674
  118   HD21  LEU  14          HD21      LEU  14   2.174   1.130  -0.422
  119   HD22  LEU  14          HD22      LEU  14   2.390   2.862  -0.678
  120   HD23  LEU  14          HD23      LEU  14   2.024   2.246   0.934
  121    H    VAL  15           HN       VAL  15   4.813   6.090   1.814
  122    HA   VAL  15           HA       VAL  15   7.272   6.261   3.172
  123    HB   VAL  15           HB       VAL  15   5.307   8.477   2.451
  124   HG11  VAL  15          HG11      VAL  15   7.200  10.027   2.681
  125   HG12  VAL  15          HG12      VAL  15   8.212   8.705   3.258
  126   HG13  VAL  15          HG13      VAL  15   6.832   9.238   4.214
  127   HG21  VAL  15          HG21      VAL  15   6.811   8.881   0.556
  128   HG22  VAL  15          HG22      VAL  15   6.143   7.251   0.516
  129   HG23  VAL  15          HG23      VAL  15   7.803   7.510   1.052
  130    H    GLU  16           HN       GLU  16   4.041   7.371   4.140
  131    HA   GLU  16           HA       GLU  16   4.677   8.385   6.650
  132    HB2  GLU  16           HB2      GLU  16   2.113   7.106   5.698
  133    HB3  GLU  16           HB1      GLU  16   2.273   8.050   7.171
  134    HG2  GLU  16           HG2      GLU  16   2.817  10.024   5.906
  135    HG3  GLU  16           HG1      GLU  16   2.834   9.096   4.410
  136    H    SER  17           HN       SER  17   3.791   5.081   5.734
  137    HA   SER  17           HA       SER  17   3.723   4.190   8.450
  138    HB2  SER  17           HB2      SER  17   3.791   2.505   5.948
  139    HB3  SER  17           HB1      SER  17   3.249   2.027   7.554
  140    HG   SER  17           HG       SER  17   2.056   3.783   5.731
  141    H    ALA  18           HN       ALA  18   6.128   4.163   5.875
  142    HA   ALA  18           HA       ALA  18   7.938   2.434   7.288
  143    HB1  ALA  18           HB1      ALA  18   7.961   2.579   4.840
  144    HB2  ALA  18           HB2      ALA  18   9.527   3.008   5.526
  145    HB3  ALA  18           HB3      ALA  18   8.440   4.271   4.947
  146    H    GLY  19           HN       GLY  19   7.200   5.746   7.275
  147    HA2  GLY  19           HA2      GLY  19   7.984   6.768   9.452
  148    HA3  GLY  19           HA1      GLY  19   9.593   6.344   8.866
  149    H    GLU  20           HN       GLU  20   7.506   8.803   9.123
  150    HA   GLU  20           HA       GLU  20   7.565   9.935   6.574
  151    HB2  GLU  20           HB2      GLU  20   6.988  12.138   7.842
  152    HB3  GLU  20           HB1      GLU  20   5.842  10.816   7.774
  153    HG2  GLU  20           HG2      GLU  20   5.961  11.882   9.984
  154    HG3  GLU  20           HG1      GLU  20   6.361  10.176  10.036
  155    H    THR  21           HN       THR  21  10.101   9.596   8.437
  156    HA   THR  21           HA       THR  21  11.546  11.971   7.824
  157    HB   THR  21           HB       THR  21  12.357  10.750   9.691
  158    HG1  THR  21           HG1      THR  21  14.287  10.192   7.677
  159   HG21  THR  21          HG21      THR  21  12.758   8.335   7.905
  160   HG22  THR  21          HG22      THR  21  11.519   8.508   9.150
  161   HG23  THR  21          HG23      THR  21  13.222   8.448   9.603
  162    H    ASP  22           HN       ASP  22  11.550   8.762   6.453
  163    HA   ASP  22           HA       ASP  22  12.477   9.809   3.899
  164    HB2  ASP  22           HB2      ASP  22  13.934   7.599   5.385
  165    HB3  ASP  22           HB1      ASP  22  14.192   8.010   3.696
  166    H    GLY  23           HN       GLY  23  11.355   8.900   2.374
  167    HA2  GLY  23           HA2      GLY  23   9.709   6.581   3.087
  168    HA3  GLY  23           HA1      GLY  23   9.440   7.627   1.681
  169    H    THR  24           HN       THR  24  12.114   5.821   2.987
  170    HA   THR  24           HA       THR  24  13.522   4.243   2.058
  171    HB   THR  24           HB       THR  24  10.830   3.040   1.278
  172    HG1  THR  24           HG1      THR  24  11.972   3.671   3.755
  173   HG21  THR  24          HG21      THR  24  13.319   1.880   2.493
  174   HG22  THR  24          HG22      THR  24  12.929   1.761   0.771
  175   HG23  THR  24          HG23      THR  24  11.882   0.989   1.986
  176    H    ASP  25           HN       ASP  25  11.856   3.005  -0.367
  177    HA   ASP  25           HA       ASP  25  13.267   4.600  -2.420
  178    HB2  ASP  25           HB2      ASP  25  12.901   1.612  -2.226
  179    HB3  ASP  25           HB1      ASP  25  13.299   2.401  -3.746
  180    H    LEU  26           HN       LEU  26  10.532   4.920  -1.448
  181    HA   LEU  26           HA       LEU  26   8.920   3.732  -3.540
  182    HB2  LEU  26           HB2      LEU  26   8.045   5.411  -1.196
  183    HB3  LEU  26           HB1      LEU  26   6.961   4.722  -2.383
  184    HG   LEU  26           HG       LEU  26   6.776   3.301  -0.581
  185   HD11  LEU  26          HD11      LEU  26   7.797   1.178  -1.202
  186   HD12  LEU  26          HD12      LEU  26   8.835   2.024  -2.346
  187   HD13  LEU  26          HD13      LEU  26   7.094   2.026  -2.575
  188   HD21  LEU  26          HD21      LEU  26   8.623   2.396   0.720
  189   HD22  LEU  26          HD22      LEU  26   8.600   4.159   0.764
  190   HD23  LEU  26          HD23      LEU  26   9.763   3.316  -0.257
  191    H    SER  27           HN       SER  27  10.759   6.392  -3.581
  192    HA   SER  27           HA       SER  27   8.913   8.239  -4.737
  193    HB2  SER  27           HB2      SER  27  11.097   8.919  -3.701
  194    HB3  SER  27           HB1      SER  27  11.922   8.152  -5.059
  195    HG   SER  27           HG       SER  27  11.008   9.650  -6.448
  196    H    GLY  28           HN       GLY  28   8.254   8.343  -6.826
  197    HA2  GLY  28           HA2      GLY  28   8.358   7.901  -9.118
  198    HA3  GLY  28           HA1      GLY  28   9.636   6.719  -8.815
  199    H    ASP  29           HN       ASP  29   8.140   5.438 -10.268
  200    HA   ASP  29           HA       ASP  29   5.882   4.402  -8.741
  201    HB2  ASP  29           HB2      ASP  29   5.670   4.909 -11.239
  202    HB3  ASP  29           HB1      ASP  29   6.708   3.508 -11.512
  203    H    PHE  30           HN       PHE  30   5.789   2.261  -8.103
  204    HA   PHE  30           HA       PHE  30   8.330   0.885  -8.278
  205    HB2  PHE  30           HB2      PHE  30   8.345   0.424  -5.858
  206    HB3  PHE  30           HB1      PHE  30   8.413   2.143  -6.200
  207    HD1  PHE  30           HD1      PHE  30   6.233   3.491  -5.932
  208    HD2  PHE  30           HD2      PHE  30   6.722  -0.469  -4.452
  209    HE1  PHE  30           HE1      PHE  30   4.349   3.840  -4.387
  210    HE2  PHE  30           HE2      PHE  30   4.851  -0.140  -2.904
  211    HZ   PHE  30           HZ       PHE  30   3.646   2.026  -2.871
  212    H    LEU  31           HN       LEU  31   5.434   0.523  -9.282
  213    HA   LEU  31           HA       LEU  31   4.170  -1.475  -7.848
  214    HB2  LEU  31           HB2      LEU  31   3.907  -0.893 -10.778
  215    HB3  LEU  31           HB1      LEU  31   2.850  -1.965  -9.882
  216    HG   LEU  31           HG       LEU  31   3.152   1.016  -9.497
  217   HD11  LEU  31          HD11      LEU  31   1.806   0.349 -11.413
  218   HD12  LEU  31          HD12      LEU  31   0.836   1.085 -10.126
  219   HD13  LEU  31          HD13      LEU  31   0.836  -0.670 -10.333
  220   HD21  LEU  31          HD21      LEU  31   1.431  -0.918  -7.964
  221   HD22  LEU  31          HD22      LEU  31   1.412   0.841  -7.806
  222   HD23  LEU  31          HD23      LEU  31   2.845  -0.073  -7.331
  223    H    ASP  32           HN       ASP  32   6.862  -1.980  -9.953
  224    HA   ASP  32           HA       ASP  32   6.359  -4.879  -9.974
  225    HB2  ASP  32           HB2      ASP  32   8.557  -3.272 -11.294
  226    HB3  ASP  32           HB1      ASP  32   8.502  -5.023 -11.308
  227    H    LEU  33           HN       LEU  33   7.908  -2.671  -7.999
  228    HA   LEU  33           HA       LEU  33  10.082  -4.402  -7.219
  229    HB2  LEU  33           HB2      LEU  33   9.149  -1.720  -6.177
  230    HB3  LEU  33           HB1      LEU  33  10.410  -2.637  -5.391
  231    HG   LEU  33           HG       LEU  33  11.780  -2.454  -7.472
  232   HD11  LEU  33          HD11      LEU  33   9.626  -0.573  -8.333
  233   HD12  LEU  33          HD12      LEU  33  10.022  -2.113  -9.102
  234   HD13  LEU  33          HD13      LEU  33  11.179  -0.771  -9.143
  235   HD21  LEU  33          HD21      LEU  33  12.380  -0.105  -7.154
  236   HD22  LEU  33          HD22      LEU  33  12.131  -0.934  -5.616
  237   HD23  LEU  33          HD23      LEU  33  10.890   0.149  -6.248
  238    H    ARG  34           HN       ARG  34   9.879  -5.952  -5.805
  239    HA   ARG  34           HA       ARG  34   7.368  -6.321  -4.466
  240    HB2  ARG  34           HB2      ARG  34   9.935  -7.938  -4.267
  241    HB3  ARG  34           HB1      ARG  34   8.417  -8.380  -3.518
  242    HG2  ARG  34           HG2      ARG  34   8.720  -9.727  -5.476
  243    HG3  ARG  34           HG1      ARG  34   7.421  -8.582  -5.797
  244    HD2  ARG  34           HD2      ARG  34   8.987  -8.873  -7.704
  245    HD3  ARG  34           HD1      ARG  34   8.899  -7.208  -7.122
  246    HE   ARG  34           HE       ARG  34  11.016  -8.920  -6.075
  247   HH11  ARG  34          HH11      ARG  34  10.172  -6.237  -8.273
  248   HH12  ARG  34          HH12      ARG  34  11.783  -5.689  -8.401
  249   HH21  ARG  34          HH21      ARG  34  13.156  -8.174  -6.291
  250   HH22  ARG  34          HH22      ARG  34  13.544  -6.815  -7.246
  251    H    PHE  35           HN       PHE  35   7.004  -6.196  -2.305
  252    HA   PHE  35           HA       PHE  35   8.309  -4.103  -0.978
  253    HB2  PHE  35           HB2      PHE  35   6.575  -6.212   0.348
  254    HB3  PHE  35           HB1      PHE  35   6.974  -4.610   0.963
  255    HD1  PHE  35           HD1      PHE  35   6.246  -2.592  -0.452
  256    HD2  PHE  35           HD2      PHE  35   4.650  -6.509  -0.853
  257    HE1  PHE  35           HE1      PHE  35   4.218  -1.662  -1.501
  258    HE2  PHE  35           HE2      PHE  35   2.639  -5.593  -1.903
  259    HZ   PHE  35           HZ       PHE  35   2.411  -3.192  -2.231
  260    H    GLU  36           HN       GLU  36   8.692  -7.570  -0.661
  261    HA   GLU  36           HA       GLU  36  10.400  -7.740   1.504
  262    HB2  GLU  36           HB2      GLU  36   9.362  -9.648   0.275
  263    HB3  GLU  36           HB1      GLU  36  10.510  -9.396  -1.025
  264    HG2  GLU  36           HG2      GLU  36  11.171 -11.248   0.400
  265    HG3  GLU  36           HG1      GLU  36  12.348  -9.938   0.476
  266    H    ASP  37           HN       ASP  37  11.125  -6.713  -1.778
  267    HA   ASP  37           HA       ASP  37  13.994  -6.900  -1.408
  268    HB2  ASP  37           HB2      ASP  37  13.005  -7.337  -3.627
  269    HB3  ASP  37           HB1      ASP  37  12.421  -5.680  -3.690
  270    H    ILE  38           HN       ILE  38  11.504  -4.490  -1.258
  271    HA   ILE  38           HA       ILE  38  13.502  -2.392  -1.074
  272    HB   ILE  38           HB       ILE  38  11.581  -0.788  -1.059
  273   HG12  ILE  38          HG12      ILE  38   9.953  -3.294  -1.590
  274   HG13  ILE  38          HG11      ILE  38   9.861  -2.293  -0.149
  275   HG21  ILE  38          HG21      ILE  38  12.769  -1.297  -3.105
  276   HG22  ILE  38          HG22      ILE  38  11.053  -1.078  -3.441
  277   HG23  ILE  38          HG23      ILE  38  11.738  -2.701  -3.385
  278   HD11  ILE  38          HD11      ILE  38   9.005  -0.445  -1.497
  279   HD12  ILE  38          HD12      ILE  38   7.996  -1.885  -1.642
  280   HD13  ILE  38          HD13      ILE  38   9.112  -1.455  -2.940
  281    H    GLY  39           HN       GLY  39  12.915  -4.406   1.029
  282    HA2  GLY  39           HA2      GLY  39  13.439  -4.343   3.280
  283    HA3  GLY  39           HA1      GLY  39  13.531  -2.597   3.152
  284    H    TYR  40           HN       TYR  40  10.698  -4.506   2.336
  285    HA   TYR  40           HA       TYR  40   9.373  -3.231   4.594
  286    HB2  TYR  40           HB2      TYR  40   8.463  -3.908   1.876
  287    HB3  TYR  40           HB1      TYR  40   7.294  -4.057   3.178
  288    HD1  TYR  40           HD2      TYR  40   9.616  -1.764   1.498
  289    HD2  TYR  40           HD1      TYR  40   6.287  -2.122   4.103
  290    HE1  TYR  40           HE2      TYR  40   9.295   0.633   1.367
  291    HE2  TYR  40           HE1      TYR  40   5.929   0.295   3.993
  292    HH   TYR  40           HH       TYR  40   7.514   2.313   1.725
  293    H    ASP  41           HN       ASP  41   9.031  -4.382   6.217
  294    HA   ASP  41           HA       ASP  41   8.896  -7.275   6.119
  295    HB2  ASP  41           HB2      ASP  41   8.293  -5.404   8.417
  296    HB3  ASP  41           HB1      ASP  41   8.501  -7.131   8.524
  297    H    SER  42           HN       SER  42   7.005  -8.427   6.567
  298    HA   SER  42           HA       SER  42   4.709  -7.483   5.402
  299    HB2  SER  42           HB2      SER  42   3.639  -9.467   6.381
  300    HB3  SER  42           HB1      SER  42   5.172  -9.728   5.531
  301    HG   SER  42           HG       SER  42   4.576 -10.272   8.126
  302    H    LEU  43           HN       LEU  43   5.578  -7.324   8.830
  303    HA   LEU  43           HA       LEU  43   2.999  -6.523   9.674
  304    HB2  LEU  43           HB2      LEU  43   4.871  -7.423  11.142
  305    HB3  LEU  43           HB1      LEU  43   5.615  -5.848  11.041
  306    HG   LEU  43           HG       LEU  43   2.881  -6.331  12.262
  307   HD11  LEU  43          HD11      LEU  43   5.565  -6.130  13.605
  308   HD12  LEU  43          HD12      LEU  43   4.556  -7.573  13.479
  309   HD13  LEU  43          HD13      LEU  43   4.001  -6.190  14.424
  310   HD21  LEU  43          HD21      LEU  43   3.239  -4.158  13.339
  311   HD22  LEU  43          HD22      LEU  43   3.299  -3.996  11.585
  312   HD23  LEU  43          HD23      LEU  43   4.794  -3.997  12.522
  313    H    ALA  44           HN       ALA  44   5.915  -4.652   8.848
  314    HA   ALA  44           HA       ALA  44   4.805  -2.091   9.116
  315    HB1  ALA  44           HB1      ALA  44   6.641  -1.333   7.684
  316    HB2  ALA  44           HB2      ALA  44   6.961  -2.998   7.199
  317    HB3  ALA  44           HB3      ALA  44   7.221  -2.499   8.872
  318    H    LEU  45           HN       LEU  45   4.742  -4.377   6.517
  319    HA   LEU  45           HA       LEU  45   3.532  -2.808   4.532
  320    HB2  LEU  45           HB2      LEU  45   4.584  -4.991   4.142
  321    HB3  LEU  45           HB1      LEU  45   3.320  -5.766   5.069
  322    HG   LEU  45           HG       LEU  45   1.677  -5.178   3.357
  323   HD11  LEU  45          HD11      LEU  45   2.417  -4.178   1.271
  324   HD12  LEU  45          HD12      LEU  45   4.050  -4.036   1.940
  325   HD13  LEU  45          HD13      LEU  45   2.723  -3.091   2.641
  326   HD21  LEU  45          HD21      LEU  45   2.534  -6.595   1.585
  327   HD22  LEU  45          HD22      LEU  45   2.931  -7.271   3.176
  328   HD23  LEU  45          HD23      LEU  45   4.163  -6.417   2.235
  329    H    MET  46           HN       MET  46   2.083  -5.042   6.898
  330    HA   MET  46           HA       MET  46  -0.593  -4.390   6.292
  331    HB2  MET  46           HB2      MET  46   0.509  -5.510   8.889
  332    HB3  MET  46           HB1      MET  46  -1.194  -5.386   8.449
  333    HG2  MET  46           HG2      MET  46  -0.882  -6.910   6.603
  334    HG3  MET  46           HG1      MET  46   0.849  -6.988   6.936
  335    HE1  MET  46           HE1      MET  46   1.910  -8.191   9.024
  336    HE2  MET  46           HE2      MET  46   0.971  -8.895  10.341
  337    HE3  MET  46           HE3      MET  46   0.967  -7.150  10.091
  338    H    GLU  47           HN       GLU  47   1.718  -2.925   8.420
  339    HA   GLU  47           HA       GLU  47   0.166  -1.141   9.943
  340    HB2  GLU  47           HB2      GLU  47   2.621  -1.615  10.182
  341    HB3  GLU  47           HB1      GLU  47   2.893  -0.721   8.705
  342    HG2  GLU  47           HG2      GLU  47   3.486   0.688  10.479
  343    HG3  GLU  47           HG1      GLU  47   1.949   1.282   9.857
  344    H    THR  48           HN       THR  48   1.378  -1.032   6.746
  345    HA   THR  48           HA       THR  48   0.900   1.700   6.069
  346    HB   THR  48           HB       THR  48   1.245  -0.718   4.260
  347    HG1  THR  48           HG1      THR  48   3.071  -0.350   5.681
  348   HG21  THR  48          HG21      THR  48   1.617   2.235   3.713
  349   HG22  THR  48          HG22      THR  48   0.302   1.231   3.104
  350   HG23  THR  48          HG23      THR  48   1.959   0.931   2.577
  351    H    ALA  49           HN       ALA  49  -0.563  -1.357   5.112
  352    HA   ALA  49           HA       ALA  49  -2.867  -0.391   3.917
  353    HB1  ALA  49           HB1      ALA  49  -2.484  -2.977   5.424
  354    HB2  ALA  49           HB2      ALA  49  -2.084  -2.706   3.728
  355    HB3  ALA  49           HB3      ALA  49  -3.763  -2.637   4.260
  356    H    ALA  50           HN       ALA  50  -2.117  -0.995   7.306
  357    HA   ALA  50           HA       ALA  50  -4.603  -0.848   8.321
  358    HB1  ALA  50           HB1      ALA  50  -3.617  -0.330  10.494
  359    HB2  ALA  50           HB2      ALA  50  -2.084   0.036   9.702
  360    HB3  ALA  50           HB3      ALA  50  -2.732  -1.606   9.657
  361    H    ARG  51           HN       ARG  51  -2.281   1.701   7.655
  362    HA   ARG  51           HA       ARG  51  -3.805   3.849   8.680
  363    HB2  ARG  51           HB2      ARG  51  -1.717   3.846   6.499
  364    HB3  ARG  51           HB1      ARG  51  -2.472   5.301   7.119
  365    HG2  ARG  51           HG2      ARG  51  -1.558   4.676   9.371
  366    HG3  ARG  51           HG1      ARG  51  -0.632   3.412   8.551
  367    HD2  ARG  51           HD2      ARG  51   0.392   5.093   7.110
  368    HD3  ARG  51           HD1      ARG  51  -0.536   6.356   7.912
  369    HE   ARG  51           HE       ARG  51   1.526   4.716   9.226
  370   HH11  ARG  51          HH11      ARG  51  -0.274   7.767   9.004
  371   HH12  ARG  51          HH12      ARG  51   0.829   8.647   9.961
  372   HH21  ARG  51          HH21      ARG  51   3.022   5.907  10.553
  373   HH22  ARG  51          HH22      ARG  51   2.769   7.556  10.865
  374    H    LEU  52           HN       LEU  52  -3.617   2.293   5.553
  375    HA   LEU  52           HA       LEU  52  -5.264   4.061   4.131
  376    HB2  LEU  52           HB2      LEU  52  -4.723   1.120   3.752
  377    HB3  LEU  52           HB1      LEU  52  -5.545   2.128   2.580
  378    HG   LEU  52           HG       LEU  52  -2.704   2.598   3.505
  379   HD11  LEU  52          HD11      LEU  52  -3.715   1.285   0.990
  380   HD12  LEU  52          HD12      LEU  52  -2.872   0.478   2.311
  381   HD13  LEU  52          HD13      LEU  52  -2.036   1.694   1.339
  382   HD21  LEU  52          HD21      LEU  52  -3.835   4.584   2.691
  383   HD22  LEU  52          HD22      LEU  52  -4.297   3.729   1.213
  384   HD23  LEU  52          HD23      LEU  52  -2.600   4.056   1.545
  385    H    GLU  53           HN       GLU  53  -5.978   1.124   5.953
  386    HA   GLU  53           HA       GLU  53  -8.722   0.921   5.557
  387    HB2  GLU  53           HB2      GLU  53  -7.139   0.348   8.061
  388    HB3  GLU  53           HB1      GLU  53  -8.781  -0.188   7.767
  389    HG2  GLU  53           HG2      GLU  53  -8.010  -1.542   5.908
  390    HG3  GLU  53           HG1      GLU  53  -6.358  -0.980   6.182
  391    H    SER  54           HN       SER  54  -6.993   2.506   8.170
  392    HA   SER  54           HA       SER  54  -9.221   3.606   9.481
  393    HB2  SER  54           HB2      SER  54  -6.921   3.226  10.409
  394    HB3  SER  54           HB1      SER  54  -6.368   4.615   9.484
  395    HG   SER  54           HG       SER  54  -7.406   4.517  11.848
  396    H    ARG  55           HN       ARG  55  -6.927   5.074   7.244
  397    HA   ARG  55           HA       ARG  55  -7.866   7.706   7.256
  398    HB2  ARG  55           HB2      ARG  55  -5.653   7.173   6.649
  399    HB3  ARG  55           HB1      ARG  55  -6.179   6.090   5.391
  400    HG2  ARG  55           HG2      ARG  55  -6.860   7.989   4.032
  401    HG3  ARG  55           HG1      ARG  55  -6.386   9.097   5.337
  402    HD2  ARG  55           HD2      ARG  55  -4.122   8.392   5.242
  403    HD3  ARG  55           HD1      ARG  55  -4.516   7.051   4.180
  404    HE   ARG  55           HE       ARG  55  -5.186   9.224   2.722
  405   HH11  ARG  55          HH11      ARG  55  -2.323   8.547   4.649
  406   HH12  ARG  55          HH12      ARG  55  -1.174   9.102   3.580
  407   HH21  ARG  55          HH21      ARG  55  -3.627   9.979   1.035
  408   HH22  ARG  55          HH22      ARG  55  -1.964   9.916   1.412
  409    H    TYR  56           HN       TYR  56  -8.620   5.039   4.987
  410    HA   TYR  56           HA       TYR  56 -10.334   6.938   3.601
  411    HB2  TYR  56           HB2      TYR  56  -9.386   4.215   2.745
  412    HB3  TYR  56           HB1      TYR  56 -10.481   5.225   1.804
  413    HD1  TYR  56           HD1      TYR  56  -9.652   7.574   1.163
  414    HD2  TYR  56           HD2      TYR  56  -7.099   4.490   2.552
  415    HE1  TYR  56           HE1      TYR  56  -7.722   8.703   0.143
  416    HE2  TYR  56           HE2      TYR  56  -5.171   5.613   1.546
  417    HH   TYR  56           HH       TYR  56  -5.347   8.797   0.409
  418    H    GLY  57           HN       GLY  57 -10.647   4.540   5.906
  419    HA2  GLY  57           HA2      GLY  57 -12.603   3.924   6.974
  420    HA3  GLY  57           HA1      GLY  57 -13.523   4.754   5.722
  421    H    VAL  58           HN       VAL  58 -11.232   2.094   5.860
  422    HA   VAL  58           HA       VAL  58 -13.170   0.359   4.581
  423    HB   VAL  58           HB       VAL  58 -11.734   1.422   2.791
  424   HG11  VAL  58          HG11      VAL  58  -9.679   1.713   3.927
  425   HG12  VAL  58          HG12      VAL  58  -9.419   0.731   2.485
  426   HG13  VAL  58          HG13      VAL  58  -9.462  -0.030   4.077
  427   HG21  VAL  58          HG21      VAL  58 -11.146  -0.637   1.561
  428   HG22  VAL  58          HG22      VAL  58 -12.748  -0.717   2.292
  429   HG23  VAL  58          HG23      VAL  58 -11.398  -1.567   3.040
  430    H    SER  59           HN       SER  59 -12.042  -2.001   4.595
  431    HA   SER  59           HA       SER  59 -10.251  -2.251   6.869
  432    HB2  SER  59           HB2      SER  59 -12.713  -2.513   7.574
  433    HB3  SER  59           HB1      SER  59 -12.734  -3.970   6.583
  434    HG   SER  59           HG       SER  59 -11.041  -3.414   8.778
  435    H    ILE  60           HN       ILE  60  -8.783  -3.906   6.579
  436    HA   ILE  60           HA       ILE  60  -9.013  -5.449   4.061
  437    HB   ILE  60           HB       ILE  60  -6.487  -4.267   5.258
  438   HG12  ILE  60          HG12      ILE  60  -7.921  -3.453   2.718
  439   HG13  ILE  60          HG11      ILE  60  -8.017  -2.574   4.239
  440   HG21  ILE  60          HG21      ILE  60  -6.906  -5.764   2.664
  441   HG22  ILE  60          HG22      ILE  60  -6.049  -6.355   4.088
  442   HG23  ILE  60          HG23      ILE  60  -5.404  -4.993   3.172
  443   HD11  ILE  60          HD11      ILE  60  -6.430  -1.530   2.723
  444   HD12  ILE  60          HD12      ILE  60  -5.528  -3.045   2.617
  445   HD13  ILE  60          HD13      ILE  60  -5.607  -2.178   4.144
  446    HA   PRO  61           HA       PRO  61  -8.461  -8.964   6.861
  447    HB2  PRO  61           HB2      PRO  61  -7.761 -10.272   4.278
  448    HB3  PRO  61           HB1      PRO  61  -8.933 -10.772   5.503
  449    HG2  PRO  61           HG2      PRO  61  -9.764  -9.721   3.215
  450    HG3  PRO  61           HG1      PRO  61 -10.558  -9.294   4.743
  451    HD2  PRO  61           HD2      PRO  61  -8.590  -7.723   3.128
  452    HD3  PRO  61           HD1      PRO  61 -10.038  -7.169   3.991
  453    H    ASP  62           HN       ASP  62  -6.717  -9.587   7.896
  454    HA   ASP  62           HA       ASP  62  -4.194  -8.454   7.592
  455    HB2  ASP  62           HB2      ASP  62  -4.913 -10.980   9.102
  456    HB3  ASP  62           HB1      ASP  62  -3.399 -10.104   9.252
  457    H    ASP  63           HN       ASP  63  -5.310 -11.633   6.586
  458    HA   ASP  63           HA       ASP  63  -2.790 -12.679   5.833
  459    HB2  ASP  63           HB2      ASP  63  -4.661 -14.157   6.193
  460    HB3  ASP  63           HB1      ASP  63  -5.568 -13.389   4.897
  461    H    VAL  64           HN       VAL  64  -5.243 -10.924   4.053
  462    HA   VAL  64           HA       VAL  64  -3.969 -11.206   1.505
  463    HB   VAL  64           HB       VAL  64  -6.036  -9.158   2.383
  464   HG11  VAL  64          HG11      VAL  64  -4.914  -8.522   0.322
  465   HG12  VAL  64          HG12      VAL  64  -6.586  -8.983   0.001
  466   HG13  VAL  64          HG13      VAL  64  -5.275 -10.098  -0.381
  467   HG21  VAL  64          HG21      VAL  64  -6.434 -11.859   1.090
  468   HG22  VAL  64          HG22      VAL  64  -7.703 -10.671   1.393
  469   HG23  VAL  64          HG23      VAL  64  -6.857 -11.421   2.747
  470    H    ALA  65           HN       ALA  65  -4.093  -8.763   4.024
  471    HA   ALA  65           HA       ALA  65  -2.679  -6.701   2.809
  472    HB1  ALA  65           HB1      ALA  65  -2.696  -7.459   5.732
  473    HB2  ALA  65           HB2      ALA  65  -3.904  -6.466   4.921
  474    HB3  ALA  65           HB3      ALA  65  -2.246  -5.887   5.071
  475    H    GLY  66           HN       GLY  66  -1.502  -9.649   4.305
  476    HA2  GLY  66           HA2      GLY  66   1.264  -8.741   3.849
  477    HA3  GLY  66           HA1      GLY  66   0.793 -10.039   4.937
  478    H    ARG  67           HN       ARG  67  -0.897 -10.125   2.030
  479    HA   ARG  67           HA       ARG  67   0.634 -12.480   1.167
  480    HB2  ARG  67           HB2      ARG  67  -1.820 -12.655   1.490
  481    HB3  ARG  67           HB1      ARG  67  -2.057 -11.423   0.265
  482    HG2  ARG  67           HG2      ARG  67  -2.498 -13.602  -0.652
  483    HG3  ARG  67           HG1      ARG  67  -1.050 -12.919  -1.401
  484    HD2  ARG  67           HD2      ARG  67   0.337 -14.230   0.132
  485    HD3  ARG  67           HD1      ARG  67  -1.118 -14.938   0.831
  486    HE   ARG  67           HE       ARG  67  -0.639 -15.214  -2.030
  487   HH11  ARG  67          HH11      ARG  67  -0.924 -16.705   1.171
  488   HH12  ARG  67          HH12      ARG  67  -0.818 -18.305   0.607
  489   HH21  ARG  67          HH21      ARG  67  -0.504 -17.441  -2.844
  490   HH22  ARG  67          HH22      ARG  67  -0.610 -18.719  -1.736
  491    H    VAL  68           HN       VAL  68   0.062  -9.253   0.403
  492    HA   VAL  68           HA       VAL  68   0.554  -9.463  -2.403
  493    HB   VAL  68           HB       VAL  68   0.548  -6.997  -2.350
  494   HG11  VAL  68          HG11      VAL  68  -1.804  -8.390  -1.021
  495   HG12  VAL  68          HG12      VAL  68  -1.511  -8.289  -2.757
  496   HG13  VAL  68          HG13      VAL  68  -1.897  -6.832  -1.842
  497   HG21  VAL  68          HG21      VAL  68  -0.131  -7.374   0.578
  498   HG22  VAL  68          HG22      VAL  68  -0.240  -5.847  -0.299
  499   HG23  VAL  68          HG23      VAL  68   1.328  -6.621  -0.066
  500    H    ASP  69           HN       ASP  69   2.437  -9.728  -3.234
  501    HA   ASP  69           HA       ASP  69   4.818  -8.725  -1.857
  502    HB2  ASP  69           HB2      ASP  69   4.459 -10.636  -4.139
  503    HB3  ASP  69           HB1      ASP  69   6.002  -9.889  -3.739
  504    H    THR  70           HN       THR  70   3.021  -8.358  -4.795
  505    HA   THR  70           HA       THR  70   4.833  -6.196  -5.394
  506    HB   THR  70           HB       THR  70   3.877  -6.342  -7.697
  507    HG1  THR  70           HG1      THR  70   2.741  -8.381  -8.075
  508   HG21  THR  70          HG21      THR  70   5.076  -8.798  -6.448
  509   HG22  THR  70          HG22      THR  70   5.959  -7.444  -7.149
  510   HG23  THR  70          HG23      THR  70   5.014  -8.521  -8.193
  511    HA   PRO  71           HA       PRO  71   2.020  -3.090  -4.087
  512    HB2  PRO  71           HB2      PRO  71   3.069  -1.704  -6.501
  513    HB3  PRO  71           HB1      PRO  71   2.947  -1.133  -4.830
  514    HG2  PRO  71           HG2      PRO  71   5.281  -1.880  -5.780
  515    HG3  PRO  71           HG1      PRO  71   4.795  -2.358  -4.142
  516    HD2  PRO  71           HD2      PRO  71   4.840  -3.966  -6.653
  517    HD3  PRO  71           HD1      PRO  71   5.281  -4.439  -4.998
  518    H    ARG  72           HN       ARG  72   2.046  -3.935  -7.514
  519    HA   ARG  72           HA       ARG  72  -0.365  -2.763  -8.246
  520    HB2  ARG  72           HB2      ARG  72  -0.535  -4.426 -10.043
  521    HB3  ARG  72           HB1      ARG  72   1.085  -3.762  -9.914
  522    HG2  ARG  72           HG2      ARG  72   1.842  -5.781  -8.797
  523    HG3  ARG  72           HG1      ARG  72   0.206  -6.438  -8.846
  524    HD2  ARG  72           HD2      ARG  72   1.596  -7.351 -10.637
  525    HD3  ARG  72           HD1      ARG  72   0.249  -6.392 -11.261
  526    HE   ARG  72           HE       ARG  72   1.779  -4.615 -11.721
  527   HH11  ARG  72          HH11      ARG  72   3.338  -7.701 -10.926
  528   HH12  ARG  72          HH12      ARG  72   4.781  -7.316 -11.753
  529   HH21  ARG  72          HH21      ARG  72   3.683  -4.115 -12.810
  530   HH22  ARG  72          HH22      ARG  72   5.003  -5.202 -12.850
  531    H    GLU  73           HN       GLU  73   0.151  -5.891  -6.673
  532    HA   GLU  73           HA       GLU  73  -2.504  -6.825  -6.786
  533    HB2  GLU  73           HB2      GLU  73  -0.199  -7.460  -4.953
  534    HB3  GLU  73           HB1      GLU  73  -1.720  -8.333  -4.921
  535    HG2  GLU  73           HG2      GLU  73   0.076  -8.109  -7.321
  536    HG3  GLU  73           HG1      GLU  73   0.060  -9.468  -6.194
  537    H    LEU  74           HN       LEU  74  -0.660  -5.118  -4.363
  538    HA   LEU  74           HA       LEU  74  -2.664  -5.041  -2.375
  539    HB2  LEU  74           HB2      LEU  74  -0.235  -4.757  -1.949
  540    HB3  LEU  74           HB1      LEU  74  -0.253  -3.248  -2.819
  541    HG   LEU  74           HG       LEU  74  -0.095  -3.095  -0.296
  542   HD11  LEU  74          HD11      LEU  74  -2.389  -1.659  -1.567
  543   HD12  LEU  74          HD12      LEU  74  -0.696  -1.167  -1.581
  544   HD13  LEU  74          HD13      LEU  74  -1.589  -1.215  -0.062
  545   HD21  LEU  74          HD21      LEU  74  -1.656  -4.854   0.298
  546   HD22  LEU  74          HD22      LEU  74  -2.981  -3.947  -0.433
  547   HD23  LEU  74          HD23      LEU  74  -2.161  -3.316   0.996
  548    H    LEU  75           HN       LEU  75  -1.603  -2.680  -4.785
  549    HA   LEU  75           HA       LEU  75  -3.335  -0.599  -4.180
  550    HB2  LEU  75           HB2      LEU  75  -1.401  -0.415  -5.676
  551    HB3  LEU  75           HB1      LEU  75  -2.210  -1.422  -6.857
  552    HG   LEU  75           HG       LEU  75  -3.940   0.342  -7.124
  553   HD11  LEU  75          HD11      LEU  75  -2.122   1.947  -5.339
  554   HD12  LEU  75          HD12      LEU  75  -3.746   1.388  -4.944
  555   HD13  LEU  75          HD13      LEU  75  -3.513   2.570  -6.229
  556   HD21  LEU  75          HD21      LEU  75  -1.092   1.226  -7.572
  557   HD22  LEU  75          HD22      LEU  75  -2.514   1.895  -8.373
  558   HD23  LEU  75          HD23      LEU  75  -2.050   0.218  -8.657
  559    H    ASP  76           HN       ASP  76  -3.723  -3.194  -6.585
  560    HA   ASP  76           HA       ASP  76  -6.218  -2.303  -7.534
  561    HB2  ASP  76           HB2      ASP  76  -4.781  -3.771  -8.846
  562    HB3  ASP  76           HB1      ASP  76  -5.045  -5.074  -7.692
  563    H    LEU  77           HN       LEU  77  -5.405  -4.688  -5.072
  564    HA   LEU  77           HA       LEU  77  -7.994  -5.672  -4.623
  565    HB2  LEU  77           HB2      LEU  77  -5.808  -6.643  -3.789
  566    HB3  LEU  77           HB1      LEU  77  -5.748  -5.372  -2.602
  567    HG   LEU  77           HG       LEU  77  -6.431  -7.586  -1.703
  568   HD11  LEU  77          HD11      LEU  77  -8.550  -5.471  -1.418
  569   HD12  LEU  77          HD12      LEU  77  -7.077  -5.621  -0.459
  570   HD13  LEU  77          HD13      LEU  77  -8.327  -6.863  -0.355
  571   HD21  LEU  77          HD21      LEU  77  -7.670  -8.427  -3.601
  572   HD22  LEU  77          HD22      LEU  77  -8.898  -7.182  -3.379
  573   HD23  LEU  77          HD23      LEU  77  -8.686  -8.437  -2.158
  574    H    ILE  78           HN       ILE  78  -6.195  -3.031  -3.080
  575    HA   ILE  78           HA       ILE  78  -8.335  -2.298  -1.399
  576    HB   ILE  78           HB       ILE  78  -5.919  -0.646  -2.228
  577   HG12  ILE  78          HG12      ILE  78  -6.453  -2.328   0.229
  578   HG13  ILE  78          HG11      ILE  78  -5.388  -2.764  -1.102
  579   HG21  ILE  78          HG21      ILE  78  -6.390   0.703  -0.229
  580   HG22  ILE  78          HG22      ILE  78  -7.851  -0.236   0.072
  581   HG23  ILE  78          HG23      ILE  78  -7.738   0.778  -1.365
  582   HD11  ILE  78          HD11      ILE  78  -5.020  -0.445   0.781
  583   HD12  ILE  78          HD12      ILE  78  -3.960  -0.865  -0.567
  584   HD13  ILE  78          HD13      ILE  78  -4.125  -1.966   0.790
  585    H    ASN  79           HN       ASN  79  -7.378  -1.284  -4.622
  586    HA   ASN  79           HA       ASN  79  -9.156   0.877  -4.974
  587    HB2  ASN  79           HB2      ASN  79  -8.288  -1.183  -7.032
  588    HB3  ASN  79           HB1      ASN  79  -9.217   0.248  -7.423
  589   HD21  ASN  79          HD21      ASN  79  -7.646   1.928  -5.563
  590   HD22  ASN  79          HD22      ASN  79  -6.123   2.156  -6.360
  591    H    GLY  80           HN       GLY  80  -9.675  -2.585  -5.362
  592    HA2  GLY  80           HA2      GLY  80 -12.323  -2.433  -6.322
  593    HA3  GLY  80           HA1      GLY  80 -11.586  -3.833  -5.550
  594    H    ALA  81           HN       ALA  81 -10.997  -2.684  -3.081
  595    HA   ALA  81           HA       ALA  81 -13.518  -2.929  -1.784
  596    HB1  ALA  81           HB1      ALA  81 -12.274  -2.524   0.281
  597    HB2  ALA  81           HB2      ALA  81 -10.873  -2.006  -0.654
  598    HB3  ALA  81           HB3      ALA  81 -11.425  -3.682  -0.744
  599    H    LEU  82           HN       LEU  82 -11.373  -0.193  -2.460
  600    HA   LEU  82           HA       LEU  82 -12.826   1.773  -1.081
  601    HB2  LEU  82           HB2      LEU  82 -10.865   1.902  -3.337
  602    HB3  LEU  82           HB1      LEU  82 -11.527   3.343  -2.631
  603    HG   LEU  82           HG       LEU  82  -9.770   1.288  -1.297
  604   HD11  LEU  82          HD11      LEU  82  -8.600   2.789  -2.802
  605   HD12  LEU  82          HD12      LEU  82  -8.185   3.140  -1.127
  606   HD13  LEU  82          HD13      LEU  82  -9.316   4.183  -1.990
  607   HD21  LEU  82          HD21      LEU  82  -9.817   2.740   0.675
  608   HD22  LEU  82          HD22      LEU  82 -11.420   2.109   0.303
  609   HD23  LEU  82          HD23      LEU  82 -11.008   3.773  -0.114
  610    H    ALA  83           HN       ALA  83 -13.124   0.448  -4.297
  611    HA   ALA  83           HA       ALA  83 -14.652   2.451  -5.497
  612    HB1  ALA  83           HB1      ALA  83 -15.337   0.756  -7.090
  613    HB2  ALA  83           HB2      ALA  83 -14.777  -0.514  -6.001
  614    HB3  ALA  83           HB3      ALA  83 -13.618   0.605  -6.722
  615    H    GLU  84           HN       GLU  84 -15.532   0.094  -3.138
  616    HA   GLU  84           HA       GLU  84 -18.342   0.282  -3.681
  617    HB2  GLU  84           HB2      GLU  84 -16.867  -1.001  -1.388
  618    HB3  GLU  84           HB1      GLU  84 -18.602  -1.098  -1.647
  619    HG2  GLU  84           HG2      GLU  84 -16.430  -2.208  -3.400
  620    HG3  GLU  84           HG1      GLU  84 -17.602  -3.109  -2.441
  621    H    ALA  85           HN       ALA  85 -16.231   2.378  -2.241
  622    HA   ALA  85           HA       ALA  85 -18.435   3.608  -0.739
  623    HB1  ALA  85           HB1      ALA  85 -16.827   4.383   0.945
  624    HB2  ALA  85           HB2      ALA  85 -15.530   3.535   0.104
  625    HB3  ALA  85           HB3      ALA  85 -16.842   2.623   0.849
  626    H    ALA  86           HN       ALA  86 -16.850   3.832  -3.413
  627    HA   ALA  86           HA       ALA  86 -15.826   6.515  -3.283
  628    HB1  ALA  86           HB1      ALA  86 -16.234   4.685  -5.652
  629    HB2  ALA  86           HB2      ALA  86 -14.740   4.864  -4.732
  630    HB3  ALA  86           HB3      ALA  86 -15.364   6.220  -5.671
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1 -12.348  11.898   0.347
    2    H2   MET   1           HT2      MET   1 -13.529  12.759   1.229
    3    H3   MET   1           HT3      MET   1 -13.944  11.772  -0.103
    4    HA   MET   1           HA       MET   1 -12.604  10.710   2.271
    5    HB2  MET   1           HB2      MET   1 -14.782   9.829   3.017
    6    HB3  MET   1           HB1      MET   1 -14.780  11.583   2.996
    7    HG2  MET   1           HG2      MET   1 -16.029  11.559   0.892
    8    HG3  MET   1           HG1      MET   1 -16.018   9.797   0.909
    9    HE1  MET   1           HE1      MET   1 -19.759  10.672   1.678
   10    HE2  MET   1           HE2      MET   1 -18.668   9.758   0.638
   11    HE3  MET   1           HE3      MET   1 -18.662  11.520   0.587
   12    H    ALA   2           HN       ALA   2 -12.013   8.664   2.043
   13    HA   ALA   2           HA       ALA   2 -11.483   6.724   1.064
   14    HB1  ALA   2           HB1      ALA   2 -14.289   6.813  -0.085
   15    HB2  ALA   2           HB2      ALA   2 -13.856   6.174   1.500
   16    HB3  ALA   2           HB3      ALA   2 -13.263   5.382   0.039
   17    H    THR   3           HN       THR   3  -9.941   7.878  -0.155
   18    HA   THR   3           HA       THR   3 -10.691   8.206  -2.940
   19    HB   THR   3           HB       THR   3  -9.860  10.267  -1.911
   20    HG1  THR   3           HG1      THR   3  -7.692  10.155  -3.319
   21   HG21  THR   3          HG21      THR   3  -7.535  10.496  -1.158
   22   HG22  THR   3          HG22      THR   3  -7.291   8.761  -1.386
   23   HG23  THR   3          HG23      THR   3  -8.423   9.341  -0.162
   24    H    LEU   4           HN       LEU   4 -10.055   6.778  -4.297
   25    HA   LEU   4           HA       LEU   4  -8.376   4.629  -3.602
   26    HB2  LEU   4           HB2      LEU   4  -9.501   5.554  -6.221
   27    HB3  LEU   4           HB1      LEU   4  -8.289   4.293  -6.181
   28    HG   LEU   4           HG       LEU   4  -9.734   2.936  -4.779
   29   HD11  LEU   4          HD11      LEU   4 -11.797   5.109  -5.242
   30   HD12  LEU   4          HD12      LEU   4 -11.041   4.667  -3.701
   31   HD13  LEU   4          HD13      LEU   4 -12.110   3.526  -4.511
   32   HD21  LEU   4          HD21      LEU   4  -9.772   2.618  -7.172
   33   HD22  LEU   4          HD22      LEU   4 -11.006   3.864  -7.348
   34   HD23  LEU   4          HD23      LEU   4 -11.385   2.357  -6.513
   35    H    LEU   5           HN       LEU   5  -6.356   4.404  -3.621
   36    HA   LEU   5           HA       LEU   5  -4.690   6.642  -3.975
   37    HB2  LEU   5           HB2      LEU   5  -3.879   3.756  -3.640
   38    HB3  LEU   5           HB1      LEU   5  -2.881   5.158  -3.379
   39    HG   LEU   5           HG       LEU   5  -3.333   4.380  -1.273
   40   HD11  LEU   5          HD11      LEU   5  -5.344   6.544  -1.711
   41   HD12  LEU   5          HD12      LEU   5  -3.635   6.714  -1.302
   42   HD13  LEU   5          HD13      LEU   5  -4.750   5.996  -0.142
   43   HD21  LEU   5          HD21      LEU   5  -5.082   2.760  -1.862
   44   HD22  LEU   5          HD22      LEU   5  -6.281   4.066  -1.864
   45   HD23  LEU   5          HD23      LEU   5  -5.438   3.640  -0.383
   46    H    THR   6           HN       THR   6  -3.467   7.158  -5.694
   47    HA   THR   6           HA       THR   6  -3.298   5.226  -7.854
   48    HB   THR   6           HB       THR   6  -2.202   7.087  -9.126
   49    HG1  THR   6           HG1      THR   6  -2.770   8.666  -6.807
   50   HG21  THR   6          HG21      THR   6  -4.159   8.565  -9.349
   51   HG22  THR   6          HG22      THR   6  -4.812   7.915  -7.843
   52   HG23  THR   6          HG23      THR   6  -4.641   6.869  -9.255
   53    H    THR   7           HN       THR   7  -0.669   5.698  -8.759
   54    HA   THR   7           HA       THR   7   0.859   4.271  -6.933
   55    HB   THR   7           HB       THR   7   1.903   6.170  -9.060
   56    HG1  THR   7           HG1      THR   7   1.961   4.138 -10.270
   57   HG21  THR   7          HG21      THR   7   3.102   3.705  -7.787
   58   HG22  THR   7          HG22      THR   7   3.600   5.367  -7.461
   59   HG23  THR   7          HG23      THR   7   3.840   4.668  -9.065
   60    H    ASP   8           HN       ASP   8   0.749   7.761  -7.552
   61    HA   ASP   8           HA       ASP   8   2.659   8.628  -5.720
   62    HB2  ASP   8           HB2      ASP   8   1.718  10.133  -7.366
   63    HB3  ASP   8           HB1      ASP   8   0.135  10.026  -6.602
   64    H    ASP   9           HN       ASP   9  -0.806   8.205  -5.247
   65    HA   ASP   9           HA       ASP   9  -0.864   9.208  -2.583
   66    HB2  ASP   9           HB2      ASP   9  -2.792   7.233  -3.803
   67    HB3  ASP   9           HB1      ASP   9  -3.065   8.208  -2.371
   68    H    LEU  10           HN       LEU  10  -0.521   5.995  -3.939
   69    HA   LEU  10           HA       LEU  10  -0.615   4.603  -1.490
   70    HB2  LEU  10           HB2      LEU  10  -0.820   3.687  -3.886
   71    HB3  LEU  10           HB1      LEU  10   0.932   3.743  -3.928
   72    HG   LEU  10           HG       LEU  10   0.959   2.238  -1.946
   73   HD11  LEU  10          HD11      LEU  10  -1.112   1.021  -1.417
   74   HD12  LEU  10          HD12      LEU  10  -1.998   2.071  -2.521
   75   HD13  LEU  10          HD13      LEU  10  -1.253   2.747  -1.079
   76   HD21  LEU  10          HD21      LEU  10   1.275   1.383  -4.222
   77   HD22  LEU  10          HD22      LEU  10  -0.472   1.194  -4.395
   78   HD23  LEU  10          HD23      LEU  10   0.411   0.222  -3.219
   79    H    ARG  11           HN       ARG  11   2.003   5.808  -3.525
   80    HA   ARG  11           HA       ARG  11   4.211   5.111  -2.030
   81    HB2  ARG  11           HB2      ARG  11   4.347   6.010  -4.274
   82    HB3  ARG  11           HB1      ARG  11   3.716   7.551  -3.733
   83    HG2  ARG  11           HG2      ARG  11   5.726   7.998  -2.503
   84    HG3  ARG  11           HG1      ARG  11   6.350   6.384  -2.868
   85    HD2  ARG  11           HD2      ARG  11   7.317   8.099  -4.337
   86    HD3  ARG  11           HD1      ARG  11   6.386   6.902  -5.233
   87    HE   ARG  11           HE       ARG  11   5.227   9.513  -4.501
   88   HH11  ARG  11          HH11      ARG  11   5.977   7.056  -7.002
   89   HH12  ARG  11          HH12      ARG  11   5.282   7.953  -8.261
   90   HH21  ARG  11          HH21      ARG  11   4.185  10.680  -6.284
   91   HH22  ARG  11          HH22      ARG  11   4.214   9.993  -7.836
   92    H    ARG  12           HN       ARG  12   2.243   8.066  -1.785
   93    HA   ARG  12           HA       ARG  12   3.557   9.336   0.311
   94    HB2  ARG  12           HB2      ARG  12   1.734  10.494  -0.788
   95    HB3  ARG  12           HB1      ARG  12   0.580   9.259  -0.296
   96    HG2  ARG  12           HG2      ARG  12   1.082   9.881   2.092
   97    HG3  ARG  12           HG1      ARG  12   2.001  11.237   1.468
   98    HD2  ARG  12           HD2      ARG  12   0.061  12.300   0.645
   99    HD3  ARG  12           HD1      ARG  12  -0.901  10.818   0.770
  100    HE   ARG  12           HE       ARG  12  -0.059  11.197   3.274
  101   HH11  ARG  12          HH11      ARG  12  -1.894  13.392   1.106
  102   HH12  ARG  12          HH12      ARG  12  -2.715  14.122   2.403
  103   HH21  ARG  12          HH21      ARG  12  -1.144  12.341   4.985
  104   HH22  ARG  12          HH22      ARG  12  -2.247  13.582   4.633
  105    H    ALA  13           HN       ALA  13   0.953   6.949   0.476
  106    HA   ALA  13           HA       ALA  13   0.705   6.874   3.286
  107    HB1  ALA  13           HB1      ALA  13   0.075   4.701   1.295
  108    HB2  ALA  13           HB2      ALA  13  -1.012   6.015   1.750
  109    HB3  ALA  13           HB3      ALA  13  -0.530   4.813   2.946
  110    H    LEU  14           HN       LEU  14   2.684   4.930   1.081
  111    HA   LEU  14           HA       LEU  14   3.682   3.287   3.133
  112    HB2  LEU  14           HB2      LEU  14   4.599   3.848   0.353
  113    HB3  LEU  14           HB1      LEU  14   5.719   3.070   1.447
  114    HG   LEU  14           HG       LEU  14   3.956   1.308   1.825
  115   HD11  LEU  14          HD11      LEU  14   2.005   2.448   1.061
  116   HD12  LEU  14          HD12      LEU  14   2.266   0.980   0.117
  117   HD13  LEU  14          HD13      LEU  14   2.665   2.557  -0.572
  118   HD21  LEU  14          HD21      LEU  14   4.473   0.112  -0.253
  119   HD22  LEU  14          HD22      LEU  14   5.888   0.883   0.473
  120   HD23  LEU  14          HD23      LEU  14   5.110   1.613  -0.931
  121    H    VAL  15           HN       VAL  15   4.951   6.304   1.798
  122    HA   VAL  15           HA       VAL  15   7.302   6.410   3.344
  123    HB   VAL  15           HB       VAL  15   5.619   8.721   2.286
  124   HG11  VAL  15          HG11      VAL  15   8.480   8.741   3.278
  125   HG12  VAL  15          HG12      VAL  15   7.099   9.479   4.087
  126   HG13  VAL  15          HG13      VAL  15   7.641  10.099   2.527
  127   HG21  VAL  15          HG21      VAL  15   8.084   7.388   1.166
  128   HG22  VAL  15          HG22      VAL  15   7.280   8.803   0.481
  129   HG23  VAL  15          HG23      VAL  15   6.443   7.252   0.530
  130    H    GLU  16           HN       GLU  16   4.049   7.664   3.984
  131    HA   GLU  16           HA       GLU  16   4.536   8.803   6.497
  132    HB2  GLU  16           HB2      GLU  16   2.015   7.519   5.456
  133    HB3  GLU  16           HB1      GLU  16   2.116   8.486   6.917
  134    HG2  GLU  16           HG2      GLU  16   2.854  10.400   5.520
  135    HG3  GLU  16           HG1      GLU  16   2.564   9.402   4.093
  136    H    SER  17           HN       SER  17   3.467   5.555   5.619
  137    HA   SER  17           HA       SER  17   3.143   4.610   8.240
  138    HB2  SER  17           HB2      SER  17   3.628   3.064   5.705
  139    HB3  SER  17           HB1      SER  17   3.003   2.402   7.217
  140    HG   SER  17           HG       SER  17   1.819   4.241   5.443
  141    H    ALA  18           HN       ALA  18   5.901   4.490   6.037
  142    HA   ALA  18           HA       ALA  18   7.511   2.820   7.661
  143    HB1  ALA  18           HB1      ALA  18   9.390   3.646   6.316
  144    HB2  ALA  18           HB2      ALA  18   8.365   4.932   5.669
  145    HB3  ALA  18           HB3      ALA  18   8.010   3.249   5.289
  146    H    GLY  19           HN       GLY  19   7.242   6.332   7.342
  147    HA2  GLY  19           HA2      GLY  19   7.293   7.831   9.134
  148    HA3  GLY  19           HA1      GLY  19   8.060   6.603  10.122
  149    H    GLU  20           HN       GLU  20   9.841   6.189   7.672
  150    HA   GLU  20           HA       GLU  20  11.958   7.829   8.648
  151    HB2  GLU  20           HB2      GLU  20  11.891   5.898   6.328
  152    HB3  GLU  20           HB1      GLU  20  13.339   6.649   6.983
  153    HG2  GLU  20           HG2      GLU  20  11.497   4.770   8.447
  154    HG3  GLU  20           HG1      GLU  20  13.095   4.383   7.810
  155    H    THR  21           HN       THR  21  13.462   8.783   6.872
  156    HA   THR  21           HA       THR  21  12.080  11.084   5.949
  157    HB   THR  21           HB       THR  21  14.952  10.342   5.302
  158    HG1  THR  21           HG1      THR  21  14.613  10.118   7.536
  159   HG21  THR  21          HG21      THR  21  15.261  12.776   5.339
  160   HG22  THR  21          HG22      THR  21  13.562  12.996   5.747
  161   HG23  THR  21          HG23      THR  21  14.010  12.342   4.170
  162    H    ASP  22           HN       ASP  22  14.398   9.648   3.773
  163    HA   ASP  22           HA       ASP  22  12.481   9.961   1.625
  164    HB2  ASP  22           HB2      ASP  22  14.410   9.726   0.138
  165    HB3  ASP  22           HB1      ASP  22  14.743  10.943   1.362
  166    H    GLY  23           HN       GLY  23  11.985   8.275   0.238
  167    HA2  GLY  23           HA2      GLY  23  12.195   5.687   1.575
  168    HA3  GLY  23           HA1      GLY  23  10.999   6.138   0.365
  169    H    THR  24           HN       THR  24  14.447   5.542   0.840
  170    HA   THR  24           HA       THR  24  16.096   4.824  -0.613
  171    HB   THR  24           HB       THR  24  15.706   2.512  -1.297
  172    HG1  THR  24           HG1      THR  24  13.722   1.583  -1.237
  173   HG21  THR  24          HG21      THR  24  15.064   1.548   0.844
  174   HG22  THR  24          HG22      THR  24  14.393   3.092   1.347
  175   HG23  THR  24          HG23      THR  24  16.137   2.935   1.084
  176    H    ASP  25           HN       ASP  25  14.567   3.149  -2.794
  177    HA   ASP  25           HA       ASP  25  14.519   5.328  -4.777
  178    HB2  ASP  25           HB2      ASP  25  15.293   3.840  -6.503
  179    HB3  ASP  25           HB1      ASP  25  16.362   3.594  -5.139
  180    H    LEU  26           HN       LEU  26  12.687   4.067  -2.881
  181    HA   LEU  26           HA       LEU  26  10.627   2.513  -4.066
  182    HB2  LEU  26           HB2      LEU  26  11.162   2.848  -1.630
  183    HB3  LEU  26           HB1      LEU  26  10.519   4.462  -1.767
  184    HG   LEU  26           HG       LEU  26   8.337   3.304  -2.474
  185   HD11  LEU  26          HD11      LEU  26   9.819   1.053  -1.178
  186   HD12  LEU  26          HD12      LEU  26   9.289   1.124  -2.859
  187   HD13  LEU  26          HD13      LEU  26   8.095   1.052  -1.552
  188   HD21  LEU  26          HD21      LEU  26   8.659   4.483  -0.356
  189   HD22  LEU  26          HD22      LEU  26   9.397   3.035   0.336
  190   HD23  LEU  26          HD23      LEU  26   7.694   3.023  -0.128
  191    H    SER  27           HN       SER  27  11.421   5.873  -3.960
  192    HA   SER  27           HA       SER  27   8.794   6.798  -4.574
  193    HB2  SER  27           HB2      SER  27  10.407   8.133  -3.215
  194    HB3  SER  27           HB1      SER  27  11.383   8.347  -4.667
  195    HG   SER  27           HG       SER  27   8.979   9.503  -3.922
  196    H    GLY  28           HN       GLY  28   8.116   5.968  -6.401
  197    HA2  GLY  28           HA2      GLY  28   8.428   7.302  -8.774
  198    HA3  GLY  28           HA1      GLY  28   9.446   5.853  -8.862
  199    H    ASP  29           HN       ASP  29   7.664   5.341 -10.564
  200    HA   ASP  29           HA       ASP  29   5.314   4.246  -9.256
  201    HB2  ASP  29           HB2      ASP  29   5.353   5.198 -11.667
  202    HB3  ASP  29           HB1      ASP  29   6.201   3.723 -12.114
  203    H    PHE  30           HN       PHE  30   5.850   2.644  -7.959
  204    HA   PHE  30           HA       PHE  30   7.950   0.761  -8.792
  205    HB2  PHE  30           HB2      PHE  30   8.433   0.449  -6.420
  206    HB3  PHE  30           HB1      PHE  30   8.500   2.151  -6.838
  207    HD1  PHE  30           HD1      PHE  30   6.308   3.522  -6.328
  208    HD2  PHE  30           HD2      PHE  30   7.249  -0.232  -4.565
  209    HE1  PHE  30           HE1      PHE  30   4.775   4.015  -4.474
  210    HE2  PHE  30           HE2      PHE  30   5.719   0.240  -2.714
  211    HZ   PHE  30           HZ       PHE  30   4.467   2.383  -2.668
  212    H    LEU  31           HN       LEU  31   5.071   0.521  -9.370
  213    HA   LEU  31           HA       LEU  31   3.683  -1.156  -7.678
  214    HB2  LEU  31           HB2      LEU  31   3.480  -0.938 -10.645
  215    HB3  LEU  31           HB1      LEU  31   2.344  -1.880  -9.706
  216    HG   LEU  31           HG       LEU  31   2.795   1.112  -9.653
  217   HD11  LEU  31          HD11      LEU  31   0.391  -0.564 -10.224
  218   HD12  LEU  31          HD12      LEU  31   1.380   0.284 -11.426
  219   HD13  LEU  31          HD13      LEU  31   0.449   1.200 -10.232
  220   HD21  LEU  31          HD21      LEU  31   1.080   1.241  -7.901
  221   HD22  LEU  31          HD22      LEU  31   2.517   0.380  -7.346
  222   HD23  LEU  31          HD23      LEU  31   1.069  -0.519  -7.791
  223    H    ASP  32           HN       ASP  32   6.276  -2.208  -9.761
  224    HA   ASP  32           HA       ASP  32   5.410  -4.983  -9.384
  225    HB2  ASP  32           HB2      ASP  32   6.029  -4.268 -11.663
  226    HB3  ASP  32           HB1      ASP  32   7.649  -3.878 -11.102
  227    H    LEU  33           HN       LEU  33   7.266  -2.840  -7.704
  228    HA   LEU  33           HA       LEU  33   9.487  -4.581  -7.154
  229    HB2  LEU  33           HB2      LEU  33   8.635  -1.930  -6.021
  230    HB3  LEU  33           HB1      LEU  33   9.918  -2.854  -5.274
  231    HG   LEU  33           HG       LEU  33  11.223  -2.699  -7.380
  232   HD11  LEU  33          HD11      LEU  33   9.437  -2.436  -8.990
  233   HD12  LEU  33          HD12      LEU  33  10.573  -1.090  -9.098
  234   HD13  LEU  33          HD13      LEU  33   9.019  -0.875  -8.292
  235   HD21  LEU  33          HD21      LEU  33  10.336  -0.068  -6.223
  236   HD22  LEU  33          HD22      LEU  33  11.802  -0.335  -7.166
  237   HD23  LEU  33          HD23      LEU  33  11.612  -1.114  -5.596
  238    H    ARG  34           HN       ARG  34   9.625  -6.091  -5.694
  239    HA   ARG  34           HA       ARG  34   7.341  -6.786  -4.111
  240    HB2  ARG  34           HB2      ARG  34  10.129  -7.969  -4.266
  241    HB3  ARG  34           HB1      ARG  34   8.891  -8.593  -3.197
  242    HG2  ARG  34           HG2      ARG  34   8.950 -10.010  -5.117
  243    HG3  ARG  34           HG1      ARG  34   7.498  -9.014  -5.211
  244    HD2  ARG  34           HD2      ARG  34   8.500  -7.587  -6.841
  245    HD3  ARG  34           HD1      ARG  34  10.048  -8.418  -6.682
  246    HE   ARG  34           HE       ARG  34   8.261 -10.366  -7.382
  247   HH11  ARG  34          HH11      ARG  34   9.079  -7.272  -8.793
  248   HH12  ARG  34          HH12      ARG  34   8.919  -7.734 -10.401
  249   HH21  ARG  34          HH21      ARG  34   8.108 -11.121  -9.581
  250   HH22  ARG  34          HH22      ARG  34   8.361 -10.011 -10.880
  251    H    PHE  35           HN       PHE  35   6.990  -6.359  -2.061
  252    HA   PHE  35           HA       PHE  35   8.169  -4.124  -0.926
  253    HB2  PHE  35           HB2      PHE  35   6.536  -6.197   0.543
  254    HB3  PHE  35           HB1      PHE  35   6.921  -4.564   1.084
  255    HD1  PHE  35           HD1      PHE  35   6.104  -2.608  -0.309
  256    HD2  PHE  35           HD2      PHE  35   4.671  -6.580  -0.710
  257    HE1  PHE  35           HE1      PHE  35   4.043  -1.763  -1.356
  258    HE2  PHE  35           HE2      PHE  35   2.628  -5.748  -1.756
  259    HZ   PHE  35           HZ       PHE  35   2.293  -3.387  -2.083
  260    H    GLU  36           HN       GLU  36   8.605  -7.491   0.132
  261    HA   GLU  36           HA       GLU  36  10.316  -7.059   2.217
  262    HB2  GLU  36           HB2      GLU  36  10.107  -9.347   0.296
  263    HB3  GLU  36           HB1      GLU  36  11.260  -9.369   1.614
  264    HG2  GLU  36           HG2      GLU  36   9.253 -10.590   2.198
  265    HG3  GLU  36           HG1      GLU  36   9.457  -9.184   3.225
  266    H    ASP  37           HN       ASP  37  11.081  -6.776  -1.116
  267    HA   ASP  37           HA       ASP  37  13.953  -6.892  -0.745
  268    HB2  ASP  37           HB2      ASP  37  13.022  -7.677  -2.848
  269    HB3  ASP  37           HB1      ASP  37  12.236  -6.127  -3.114
  270    H    ILE  38           HN       ILE  38  11.428  -4.515  -0.946
  271    HA   ILE  38           HA       ILE  38  13.378  -2.368  -1.127
  272    HB   ILE  38           HB       ILE  38  11.419  -0.875  -1.581
  273   HG12  ILE  38          HG12      ILE  38   9.929  -3.514  -1.529
  274   HG13  ILE  38          HG11      ILE  38   9.651  -2.127  -0.490
  275   HG21  ILE  38          HG21      ILE  38  11.072  -1.695  -3.860
  276   HG22  ILE  38          HG22      ILE  38  11.767  -3.251  -3.395
  277   HG23  ILE  38          HG23      ILE  38  12.766  -1.799  -3.371
  278   HD11  ILE  38          HD11      ILE  38   7.915  -2.332  -2.168
  279   HD12  ILE  38          HD12      ILE  38   9.120  -2.266  -3.451
  280   HD13  ILE  38          HD13      ILE  38   8.848  -0.858  -2.425
  281    H    GLY  39           HN       GLY  39  12.735  -3.933   1.321
  282    HA2  GLY  39           HA2      GLY  39  13.198  -3.299   3.523
  283    HA3  GLY  39           HA1      GLY  39  12.900  -1.629   3.080
  284    H    TYR  40           HN       TYR  40  10.506  -3.970   2.273
  285    HA   TYR  40           HA       TYR  40   8.921  -3.050   4.554
  286    HB2  TYR  40           HB2      TYR  40   8.172  -3.328   1.680
  287    HB3  TYR  40           HB1      TYR  40   6.960  -3.515   2.934
  288    HD1  TYR  40           HD2      TYR  40   9.582  -1.158   1.735
  289    HD2  TYR  40           HD1      TYR  40   5.866  -1.682   3.712
  290    HE1  TYR  40           HE2      TYR  40   9.297   1.268   1.811
  291    HE2  TYR  40           HE1      TYR  40   5.534   0.692   3.802
  292    HH   TYR  40           HH       TYR  40   6.903   2.793   3.703
  293    H    ASP  41           HN       ASP  41   9.058  -4.804   5.845
  294    HA   ASP  41           HA       ASP  41   8.456  -7.409   4.727
  295    HB2  ASP  41           HB2      ASP  41   8.762  -6.443   7.573
  296    HB3  ASP  41           HB1      ASP  41   8.239  -8.074   7.183
  297    H    SER  42           HN       SER  42   6.517  -8.467   5.001
  298    HA   SER  42           HA       SER  42   4.235  -7.023   4.721
  299    HB2  SER  42           HB2      SER  42   4.488  -9.764   5.822
  300    HB3  SER  42           HB1      SER  42   3.007  -9.107   5.116
  301    HG   SER  42           HG       SER  42   5.313  -8.968   3.486
  302    H    LEU  43           HN       LEU  43   5.722  -7.751   7.792
  303    HA   LEU  43           HA       LEU  43   3.520  -7.127   9.447
  304    HB2  LEU  43           HB2      LEU  43   5.503  -8.124  10.404
  305    HB3  LEU  43           HB1      LEU  43   6.483  -6.766   9.893
  306    HG   LEU  43           HG       LEU  43   5.393  -5.317  11.507
  307   HD11  LEU  43          HD11      LEU  43   3.178  -6.302  11.508
  308   HD12  LEU  43          HD12      LEU  43   3.818  -6.201  13.149
  309   HD13  LEU  43          HD13      LEU  43   3.798  -7.750  12.300
  310   HD21  LEU  43          HD21      LEU  43   6.228  -6.369  13.549
  311   HD22  LEU  43          HD22      LEU  43   7.347  -6.578  12.195
  312   HD23  LEU  43          HD23      LEU  43   6.315  -7.916  12.704
  313    H    ALA  44           HN       ALA  44   6.238  -4.979   8.486
  314    HA   ALA  44           HA       ALA  44   5.005  -2.572   9.282
  315    HB1  ALA  44           HB1      ALA  44   6.674  -1.456   7.866
  316    HB2  ALA  44           HB2      ALA  44   7.079  -3.008   7.124
  317    HB3  ALA  44           HB3      ALA  44   7.414  -2.733   8.832
  318    H    LEU  45           HN       LEU  45   4.752  -4.523   6.475
  319    HA   LEU  45           HA       LEU  45   3.473  -2.743   4.737
  320    HB2  LEU  45           HB2      LEU  45   4.444  -4.976   4.197
  321    HB3  LEU  45           HB1      LEU  45   3.050  -5.697   4.969
  322    HG   LEU  45           HG       LEU  45   1.592  -4.704   3.273
  323   HD11  LEU  45          HD11      LEU  45   2.633  -3.600   1.371
  324   HD12  LEU  45          HD12      LEU  45   4.204  -3.839   2.164
  325   HD13  LEU  45          HD13      LEU  45   3.019  -2.735   2.885
  326   HD21  LEU  45          HD21      LEU  45   2.615  -6.910   2.942
  327   HD22  LEU  45          HD22      LEU  45   3.974  -6.086   2.147
  328   HD23  LEU  45          HD23      LEU  45   2.364  -6.020   1.426
  329    H    MET  46           HN       MET  46   2.116  -5.094   7.085
  330    HA   MET  46           HA       MET  46  -0.580  -4.348   6.650
  331    HB2  MET  46           HB2      MET  46   0.510  -5.433   9.275
  332    HB3  MET  46           HB1      MET  46  -1.166  -5.358   8.723
  333    HG2  MET  46           HG2      MET  46  -0.691  -6.964   6.972
  334    HG3  MET  46           HG1      MET  46   0.998  -7.018   7.484
  335    HE1  MET  46           HE1      MET  46   1.790  -7.950   9.874
  336    HE2  MET  46           HE2      MET  46   0.680  -8.590  11.084
  337    HE3  MET  46           HE3      MET  46   0.652  -6.875  10.683
  338    H    GLU  47           HN       GLU  47   1.907  -3.056   8.696
  339    HA   GLU  47           HA       GLU  47   0.457  -1.223  10.267
  340    HB2  GLU  47           HB2      GLU  47   2.777  -1.729  10.701
  341    HB3  GLU  47           HB1      GLU  47   3.245  -1.208   9.100
  342    HG2  GLU  47           HG2      GLU  47   3.984   0.388  10.709
  343    HG3  GLU  47           HG1      GLU  47   2.704   1.099   9.732
  344    H    THR  48           HN       THR  48   1.611  -1.131   7.064
  345    HA   THR  48           HA       THR  48   1.173   1.637   6.434
  346    HB   THR  48           HB       THR  48   1.551  -0.758   4.597
  347    HG1  THR  48           HG1      THR  48   3.356  -0.345   6.062
  348   HG21  THR  48          HG21      THR  48   2.250   0.914   2.928
  349   HG22  THR  48          HG22      THR  48   1.897   2.206   4.071
  350   HG23  THR  48          HG23      THR  48   0.590   1.192   3.450
  351    H    ALA  49           HN       ALA  49  -0.263  -1.432   5.479
  352    HA   ALA  49           HA       ALA  49  -2.539  -0.554   4.182
  353    HB1  ALA  49           HB1      ALA  49  -2.192  -3.064   5.817
  354    HB2  ALA  49           HB2      ALA  49  -1.721  -2.863   4.131
  355    HB3  ALA  49           HB3      ALA  49  -3.424  -2.785   4.587
  356    H    ALA  50           HN       ALA  50  -1.950  -1.057   7.609
  357    HA   ALA  50           HA       ALA  50  -4.440  -0.942   8.509
  358    HB1  ALA  50           HB1      ALA  50  -2.594  -1.519   9.930
  359    HB2  ALA  50           HB2      ALA  50  -3.551  -0.242  10.692
  360    HB3  ALA  50           HB3      ALA  50  -2.017   0.150   9.910
  361    H    ARG  51           HN       ARG  51  -2.231   1.685   7.851
  362    HA   ARG  51           HA       ARG  51  -3.852   3.829   8.779
  363    HB2  ARG  51           HB2      ARG  51  -1.585   3.932   6.777
  364    HB3  ARG  51           HB1      ARG  51  -2.207   5.285   7.725
  365    HG2  ARG  51           HG2      ARG  51  -1.567   4.109   9.770
  366    HG3  ARG  51           HG1      ARG  51  -0.886   2.819   8.793
  367    HD2  ARG  51           HD2      ARG  51   0.647   4.543   7.798
  368    HD3  ARG  51           HD1      ARG  51   0.039   5.662   9.023
  369    HE   ARG  51           HE       ARG  51   0.861   3.135  10.063
  370   HH11  ARG  51          HH11      ARG  51   1.923   6.451   9.459
  371   HH12  ARG  51          HH12      ARG  51   3.282   6.344  10.481
  372   HH21  ARG  51          HH21      ARG  51   2.571   3.020  11.497
  373   HH22  ARG  51          HH22      ARG  51   3.678   4.325  11.691
  374    H    LEU  52           HN       LEU  52  -3.340   2.246   5.733
  375    HA   LEU  52           HA       LEU  52  -4.867   3.912   4.101
  376    HB2  LEU  52           HB2      LEU  52  -4.177   0.978   3.942
  377    HB3  LEU  52           HB1      LEU  52  -5.060   1.811   2.679
  378    HG   LEU  52           HG       LEU  52  -2.326   2.741   3.557
  379   HD11  LEU  52          HD11      LEU  52  -2.117   0.405   2.841
  380   HD12  LEU  52          HD12      LEU  52  -1.416   1.500   1.657
  381   HD13  LEU  52          HD13      LEU  52  -3.002   0.779   1.361
  382   HD21  LEU  52          HD21      LEU  52  -3.897   3.069   1.006
  383   HD22  LEU  52          HD22      LEU  52  -2.315   3.771   1.360
  384   HD23  LEU  52          HD23      LEU  52  -3.735   4.277   2.274
  385    H    GLU  53           HN       GLU  53  -5.659   0.966   5.908
  386    HA   GLU  53           HA       GLU  53  -8.341   0.674   5.312
  387    HB2  GLU  53           HB2      GLU  53  -6.944   0.109   7.919
  388    HB3  GLU  53           HB1      GLU  53  -8.580  -0.393   7.546
  389    HG2  GLU  53           HG2      GLU  53  -7.649  -1.735   5.669
  390    HG3  GLU  53           HG1      GLU  53  -6.034  -1.323   6.253
  391    H    SER  54           HN       SER  54  -6.937   2.298   8.090
  392    HA   SER  54           HA       SER  54  -9.395   3.129   9.129
  393    HB2  SER  54           HB2      SER  54  -7.298   2.893  10.447
  394    HB3  SER  54           HB1      SER  54  -6.685   4.353   9.681
  395    HG   SER  54           HG       SER  54  -9.142   4.255  11.048
  396    H    ARG  55           HN       ARG  55  -6.951   5.048   7.355
  397    HA   ARG  55           HA       ARG  55  -8.362   7.471   7.547
  398    HB2  ARG  55           HB2      ARG  55  -5.935   7.270   7.169
  399    HB3  ARG  55           HB1      ARG  55  -6.257   6.666   5.551
  400    HG2  ARG  55           HG2      ARG  55  -7.404   8.818   5.059
  401    HG3  ARG  55           HG1      ARG  55  -6.843   9.404   6.629
  402    HD2  ARG  55           HD2      ARG  55  -5.119   8.440   4.353
  403    HD3  ARG  55           HD1      ARG  55  -5.363  10.114   4.828
  404    HE   ARG  55           HE       ARG  55  -4.391   8.812   7.058
  405   HH11  ARG  55          HH11      ARG  55  -3.208   9.264   3.715
  406   HH12  ARG  55          HH12      ARG  55  -1.575   9.459   4.220
  407   HH21  ARG  55          HH21      ARG  55  -2.120   9.118   7.666
  408   HH22  ARG  55          HH22      ARG  55  -0.988   9.439   6.432
  409    H    TYR  56           HN       TYR  56  -8.242   5.032   4.939
  410    HA   TYR  56           HA       TYR  56  -9.955   6.796   3.374
  411    HB2  TYR  56           HB2      TYR  56  -8.478   4.323   2.448
  412    HB3  TYR  56           HB1      TYR  56  -9.346   5.469   1.425
  413    HD1  TYR  56           HD1      TYR  56  -8.564   7.907   1.522
  414    HD2  TYR  56           HD2      TYR  56  -6.200   4.662   2.866
  415    HE1  TYR  56           HE1      TYR  56  -6.527   9.276   1.216
  416    HE2  TYR  56           HE2      TYR  56  -4.165   6.018   2.589
  417    HH   TYR  56           HH       TYR  56  -4.212   9.337   2.144
  418    H    GLY  57           HN       GLY  57 -10.370   4.316   5.478
  419    HA2  GLY  57           HA2      GLY  57 -12.328   3.257   6.071
  420    HA3  GLY  57           HA1      GLY  57 -13.128   4.113   4.760
  421    H    VAL  58           HN       VAL  58 -10.433   1.860   4.675
  422    HA   VAL  58           HA       VAL  58 -12.074   0.133   2.971
  423    HB   VAL  58           HB       VAL  58 -10.250   1.210   1.682
  424   HG11  VAL  58          HG11      VAL  58  -8.360  -0.207   3.526
  425   HG12  VAL  58          HG12      VAL  58  -8.605   1.535   3.396
  426   HG13  VAL  58          HG13      VAL  58  -7.914   0.633   2.042
  427   HG21  VAL  58          HG21      VAL  58  -9.264  -0.801   0.676
  428   HG22  VAL  58          HG22      VAL  58 -10.997  -0.963   0.953
  429   HG23  VAL  58          HG23      VAL  58  -9.852  -1.751   2.040
  430    H    SER  59           HN       SER  59 -12.016  -2.068   3.348
  431    HA   SER  59           HA       SER  59 -10.942  -2.839   5.951
  432    HB2  SER  59           HB2      SER  59 -12.799  -4.407   4.166
  433    HB3  SER  59           HB1      SER  59 -12.609  -4.503   5.922
  434    HG   SER  59           HG       SER  59 -13.843  -2.561   4.345
  435    H    ILE  60           HN       ILE  60  -8.984  -3.967   5.924
  436    HA   ILE  60           HA       ILE  60  -8.464  -5.656   3.578
  437    HB   ILE  60           HB       ILE  60  -6.376  -4.136   5.179
  438   HG12  ILE  60          HG12      ILE  60  -7.317  -3.612   2.341
  439   HG13  ILE  60          HG11      ILE  60  -7.722  -2.617   3.737
  440   HG21  ILE  60          HG21      ILE  60  -4.816  -4.906   3.440
  441   HG22  ILE  60          HG22      ILE  60  -6.122  -5.822   2.685
  442   HG23  ILE  60          HG23      ILE  60  -5.562  -6.254   4.300
  443   HD11  ILE  60          HD11      ILE  60  -4.966  -3.071   2.619
  444   HD12  ILE  60          HD12      ILE  60  -5.336  -2.117   4.042
  445   HD13  ILE  60          HD13      ILE  60  -5.937  -1.604   2.453
  446    HA   PRO  61           HA       PRO  61  -8.463  -8.612   7.040
  447    HB2  PRO  61           HB2      PRO  61  -7.869 -10.386   4.721
  448    HB3  PRO  61           HB1      PRO  61  -9.074 -10.580   6.003
  449    HG2  PRO  61           HG2      PRO  61  -9.836  -9.867   3.567
  450    HG3  PRO  61           HG1      PRO  61 -10.574  -9.118   4.998
  451    HD2  PRO  61           HD2      PRO  61  -8.479  -8.022   3.159
  452    HD3  PRO  61           HD1      PRO  61  -9.880  -7.209   3.891
  453    H    ASP  62           HN       ASP  62  -6.799  -9.495   8.112
  454    HA   ASP  62           HA       ASP  62  -4.224  -8.513   7.840
  455    HB2  ASP  62           HB2      ASP  62  -5.080 -11.013   9.306
  456    HB3  ASP  62           HB1      ASP  62  -3.522 -10.218   9.494
  457    H    ASP  63           HN       ASP  63  -5.476 -11.624   6.734
  458    HA   ASP  63           HA       ASP  63  -2.941 -12.606   5.929
  459    HB2  ASP  63           HB2      ASP  63  -4.753 -14.175   6.323
  460    HB3  ASP  63           HB1      ASP  63  -5.699 -13.455   5.026
  461    H    VAL  64           HN       VAL  64  -5.421 -10.783   4.286
  462    HA   VAL  64           HA       VAL  64  -4.258 -11.035   1.682
  463    HB   VAL  64           HB       VAL  64  -6.173  -8.919   2.742
  464   HG11  VAL  64          HG11      VAL  64  -5.485  -9.656  -0.102
  465   HG12  VAL  64          HG12      VAL  64  -5.025  -8.169   0.728
  466   HG13  VAL  64          HG13      VAL  64  -6.724  -8.499   0.393
  467   HG21  VAL  64          HG21      VAL  64  -7.919 -10.233   1.643
  468   HG22  VAL  64          HG22      VAL  64  -7.097 -11.165   2.897
  469   HG23  VAL  64          HG23      VAL  64  -6.721 -11.448   1.197
  470    H    ALA  65           HN       ALA  65  -4.079  -8.708   4.299
  471    HA   ALA  65           HA       ALA  65  -2.460  -6.766   3.121
  472    HB1  ALA  65           HB1      ALA  65  -3.608  -6.468   5.263
  473    HB2  ALA  65           HB2      ALA  65  -1.888  -6.104   5.398
  474    HB3  ALA  65           HB3      ALA  65  -2.516  -7.634   6.012
  475    H    GLY  66           HN       GLY  66  -1.659  -9.973   4.125
  476    HA2  GLY  66           HA2      GLY  66   1.208  -9.363   3.853
  477    HA3  GLY  66           HA1      GLY  66   0.554 -10.726   4.752
  478    H    ARG  67           HN       ARG  67  -1.205 -10.315   1.938
  479    HA   ARG  67           HA       ARG  67   0.337 -12.432   0.582
  480    HB2  ARG  67           HB2      ARG  67  -2.505 -11.496   0.126
  481    HB3  ARG  67           HB1      ARG  67  -1.697 -12.699  -0.861
  482    HG2  ARG  67           HG2      ARG  67  -2.374 -12.925   2.057
  483    HG3  ARG  67           HG1      ARG  67  -3.174 -13.746   0.716
  484    HD2  ARG  67           HD2      ARG  67  -0.288 -14.091   1.506
  485    HD3  ARG  67           HD1      ARG  67  -1.599 -15.177   1.950
  486    HE   ARG  67           HE       ARG  67  -1.549 -14.878  -0.843
  487   HH11  ARG  67          HH11      ARG  67   0.442 -16.275   1.743
  488   HH12  ARG  67          HH12      ARG  67   0.979 -17.604   0.841
  489   HH21  ARG  67          HH21      ARG  67  -0.753 -16.735  -2.140
  490   HH22  ARG  67          HH22      ARG  67   0.345 -17.825  -1.405
  491    H    VAL  68           HN       VAL  68  -0.341  -9.171   0.499
  492    HA   VAL  68           HA       VAL  68   0.026  -8.869  -2.308
  493    HB   VAL  68           HB       VAL  68   0.027  -6.403  -1.834
  494   HG11  VAL  68          HG11      VAL  68  -2.040  -7.564  -2.338
  495   HG12  VAL  68          HG12      VAL  68  -2.331  -6.290  -1.154
  496   HG13  VAL  68          HG13      VAL  68  -2.247  -7.976  -0.636
  497   HG21  VAL  68          HG21      VAL  68  -0.459  -7.266   1.026
  498   HG22  VAL  68          HG22      VAL  68  -0.575  -5.614   0.404
  499   HG23  VAL  68          HG23      VAL  68   0.981  -6.444   0.415
  500    H    ASP  69           HN       ASP  69   1.813  -9.466  -3.019
  501    HA   ASP  69           HA       ASP  69   4.340  -9.097  -1.640
  502    HB2  ASP  69           HB2      ASP  69   3.976 -11.228  -2.625
  503    HB3  ASP  69           HB1      ASP  69   3.416 -10.514  -4.117
  504    H    THR  70           HN       THR  70   2.564  -7.667  -4.195
  505    HA   THR  70           HA       THR  70   4.779  -5.861  -4.703
  506    HB   THR  70           HB       THR  70   4.009  -5.866  -7.117
  507    HG1  THR  70           HG1      THR  70   2.933  -8.416  -6.810
  508   HG21  THR  70          HG21      THR  70   5.178  -7.971  -7.706
  509   HG22  THR  70          HG22      THR  70   5.060  -8.472  -6.011
  510   HG23  THR  70          HG23      THR  70   6.042  -7.077  -6.446
  511    HA   PRO  71           HA       PRO  71   1.721  -2.678  -3.957
  512    HB2  PRO  71           HB2      PRO  71   2.987  -1.325  -6.282
  513    HB3  PRO  71           HB1      PRO  71   2.682  -0.714  -4.647
  514    HG2  PRO  71           HG2      PRO  71   5.129  -1.402  -5.365
  515    HG3  PRO  71           HG1      PRO  71   4.516  -1.818  -3.752
  516    HD2  PRO  71           HD2      PRO  71   4.829  -3.549  -6.167
  517    HD3  PRO  71           HD1      PRO  71   5.148  -3.919  -4.458
  518    H    ARG  72           HN       ARG  72   2.328  -3.663  -7.279
  519    HA   ARG  72           HA       ARG  72  -0.037  -2.745  -8.380
  520    HB2  ARG  72           HB2      ARG  72   0.298  -4.395 -10.184
  521    HB3  ARG  72           HB1      ARG  72   1.776  -3.548  -9.781
  522    HG2  ARG  72           HG2      ARG  72   2.244  -5.643  -8.302
  523    HG3  ARG  72           HG1      ARG  72   1.043  -6.407  -9.340
  524    HD2  ARG  72           HD2      ARG  72   3.626  -5.107 -10.172
  525    HD3  ARG  72           HD1      ARG  72   3.211  -6.816 -10.294
  526    HE   ARG  72           HE       ARG  72   1.354  -5.298 -11.734
  527   HH11  ARG  72          HH11      ARG  72   4.823  -6.312 -12.045
  528   HH12  ARG  72          HH12      ARG  72   4.810  -6.115 -13.709
  529   HH21  ARG  72          HH21      ARG  72   1.447  -5.151 -14.086
  530   HH22  ARG  72          HH22      ARG  72   2.903  -5.520 -14.899
  531    H    GLU  73           HN       GLU  73   0.501  -5.758  -6.587
  532    HA   GLU  73           HA       GLU  73  -2.109  -6.819  -6.860
  533    HB2  GLU  73           HB2      GLU  73   0.078  -7.187  -4.823
  534    HB3  GLU  73           HB1      GLU  73  -1.466  -8.009  -4.687
  535    HG2  GLU  73           HG2      GLU  73   0.374  -8.242  -7.047
  536    HG3  GLU  73           HG1      GLU  73   0.349  -9.362  -5.681
  537    H    LEU  74           HN       LEU  74  -0.533  -4.851  -4.446
  538    HA   LEU  74           HA       LEU  74  -2.659  -4.806  -2.590
  539    HB2  LEU  74           HB2      LEU  74  -0.316  -4.531  -1.949
  540    HB3  LEU  74           HB1      LEU  74  -0.204  -3.054  -2.862
  541    HG   LEU  74           HG       LEU  74  -0.274  -2.830  -0.332
  542   HD11  LEU  74          HD11      LEU  74  -1.676  -0.882  -0.317
  543   HD12  LEU  74          HD12      LEU  74  -2.350  -1.351  -1.877
  544   HD13  LEU  74          HD13      LEU  74  -0.642  -0.942  -1.744
  545   HD21  LEU  74          HD21      LEU  74  -3.176  -3.535  -0.742
  546   HD22  LEU  74          HD22      LEU  74  -2.465  -2.901   0.745
  547   HD23  LEU  74          HD23      LEU  74  -1.984  -4.488   0.146
  548    H    LEU  75           HN       LEU  75  -1.569  -2.389  -4.941
  549    HA   LEU  75           HA       LEU  75  -3.385  -0.352  -4.360
  550    HB2  LEU  75           HB2      LEU  75  -1.391  -0.240  -5.877
  551    HB3  LEU  75           HB1      LEU  75  -2.315  -1.115  -7.082
  552    HG   LEU  75           HG       LEU  75  -3.957   0.763  -7.087
  553   HD11  LEU  75          HD11      LEU  75  -1.880   2.096  -5.366
  554   HD12  LEU  75          HD12      LEU  75  -3.491   1.596  -4.851
  555   HD13  LEU  75          HD13      LEU  75  -3.308   2.869  -6.053
  556   HD21  LEU  75          HD21      LEU  75  -2.523   2.308  -8.346
  557   HD22  LEU  75          HD22      LEU  75  -2.206   0.630  -8.779
  558   HD23  LEU  75          HD23      LEU  75  -1.093   1.490  -7.716
  559    H    ASP  76           HN       ASP  76  -3.589  -3.033  -6.642
  560    HA   ASP  76           HA       ASP  76  -6.125  -2.539  -7.707
  561    HB2  ASP  76           HB2      ASP  76  -4.614  -4.123  -8.742
  562    HB3  ASP  76           HB1      ASP  76  -4.677  -5.161  -7.319
  563    H    LEU  77           HN       LEU  77  -5.131  -4.448  -4.919
  564    HA   LEU  77           HA       LEU  77  -7.633  -5.538  -4.301
  565    HB2  LEU  77           HB2      LEU  77  -5.383  -6.279  -3.419
  566    HB3  LEU  77           HB1      LEU  77  -5.389  -4.885  -2.371
  567    HG   LEU  77           HG       LEU  77  -5.942  -7.042  -1.246
  568   HD11  LEU  77          HD11      LEU  77  -8.152  -5.004  -1.121
  569   HD12  LEU  77          HD12      LEU  77  -6.656  -4.985  -0.186
  570   HD13  LEU  77          HD13      LEU  77  -7.840  -6.266   0.072
  571   HD21  LEU  77          HD21      LEU  77  -8.165  -8.026  -1.573
  572   HD22  LEU  77          HD22      LEU  77  -7.174  -8.112  -3.031
  573   HD23  LEU  77          HD23      LEU  77  -8.450  -6.902  -2.904
  574    H    ILE  78           HN       ILE  78  -6.013  -2.619  -3.092
  575    HA   ILE  78           HA       ILE  78  -8.157  -1.848  -1.411
  576    HB   ILE  78           HB       ILE  78  -6.090   0.014  -2.635
  577   HG12  ILE  78          HG12      ILE  78  -6.049  -1.513  -0.018
  578   HG13  ILE  78          HG11      ILE  78  -5.052  -1.877  -1.416
  579   HG21  ILE  78          HG21      ILE  78  -8.022   1.166  -1.676
  580   HG22  ILE  78          HG22      ILE  78  -6.583   1.424  -0.690
  581   HG23  ILE  78          HG23      ILE  78  -7.815   0.276  -0.168
  582   HD11  ILE  78          HD11      ILE  78  -4.003   0.333  -1.193
  583   HD12  ILE  78          HD12      ILE  78  -3.755  -0.709   0.193
  584   HD13  ILE  78          HD13      ILE  78  -4.940   0.604   0.281
  585    H    ASN  79           HN       ASN  79  -7.330  -0.975  -4.768
  586    HA   ASN  79           HA       ASN  79  -9.446   0.879  -5.119
  587    HB2  ASN  79           HB2      ASN  79  -7.952  -0.824  -7.125
  588    HB3  ASN  79           HB1      ASN  79  -9.334   0.123  -7.630
  589   HD21  ASN  79          HD21      ASN  79  -6.794   1.092  -5.319
  590   HD22  ASN  79          HD22      ASN  79  -6.192   2.384  -6.302
  591    H    GLY  80           HN       GLY  80  -9.335  -2.606  -5.575
  592    HA2  GLY  80           HA2      GLY  80 -11.982  -2.896  -6.522
  593    HA3  GLY  80           HA1      GLY  80 -10.999  -4.160  -5.794
  594    H    ALA  81           HN       ALA  81 -10.616  -3.000  -3.271
  595    HA   ALA  81           HA       ALA  81 -13.056  -3.720  -2.008
  596    HB1  ALA  81           HB1      ALA  81 -10.620  -2.380  -0.816
  597    HB2  ALA  81           HB2      ALA  81 -10.868  -4.115  -0.962
  598    HB3  ALA  81           HB3      ALA  81 -11.915  -3.162   0.087
  599    H    LEU  82           HN       LEU  82 -11.419  -0.623  -2.555
  600    HA   LEU  82           HA       LEU  82 -13.368   0.932  -1.233
  601    HB2  LEU  82           HB2      LEU  82 -11.116   1.513  -3.077
  602    HB3  LEU  82           HB1      LEU  82 -12.201   2.805  -2.676
  603    HG   LEU  82           HG       LEU  82 -10.445   1.233  -0.775
  604   HD11  LEU  82          HD11      LEU  82 -10.401   4.124  -1.627
  605   HD12  LEU  82          HD12      LEU  82  -9.262   2.880  -2.134
  606   HD13  LEU  82          HD13      LEU  82  -9.327   3.380  -0.443
  607   HD21  LEU  82          HD21      LEU  82 -12.564   1.785   0.303
  608   HD22  LEU  82          HD22      LEU  82 -12.386   3.470  -0.184
  609   HD23  LEU  82          HD23      LEU  82 -11.252   2.760   0.966
  610    H    ALA  83           HN       ALA  83 -13.306  -0.527  -4.306
  611    HA   ALA  83           HA       ALA  83 -15.060   1.168  -5.693
  612    HB1  ALA  83           HB1      ALA  83 -13.788  -0.626  -6.795
  613    HB2  ALA  83           HB2      ALA  83 -15.514  -0.747  -7.138
  614    HB3  ALA  83           HB3      ALA  83 -14.772  -1.825  -5.957
  615    H    GLU  84           HN       GLU  84 -15.583  -1.025  -3.077
  616    HA   GLU  84           HA       GLU  84 -18.444  -1.124  -3.495
  617    HB2  GLU  84           HB2      GLU  84 -16.773  -2.105  -1.184
  618    HB3  GLU  84           HB1      GLU  84 -18.509  -2.305  -1.324
  619    HG2  GLU  84           HG2      GLU  84 -18.064  -3.575  -3.448
  620    HG3  GLU  84           HG1      GLU  84 -16.357  -3.556  -2.987
  621    H    ALA  85           HN       ALA  85 -16.269   1.073  -2.183
  622    HA   ALA  85           HA       ALA  85 -17.946   1.949  -0.028
  623    HB1  ALA  85           HB1      ALA  85 -16.298   3.724   0.317
  624    HB2  ALA  85           HB2      ALA  85 -15.494   3.283  -1.190
  625    HB3  ALA  85           HB3      ALA  85 -15.500   2.156   0.166
  626    H    ALA  86           HN       ALA  86 -19.769   2.207  -1.198
  627    HA   ALA  86           HA       ALA  86 -20.222   4.863  -2.171
  628    HB1  ALA  86           HB1      ALA  86 -19.685   3.664  -4.253
  629    HB2  ALA  86           HB2      ALA  86 -21.409   4.026  -4.189
  630    HB3  ALA  86           HB3      ALA  86 -20.839   2.397  -3.831
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1 -18.167   7.639  -2.904
    2    H2   MET   1           HT2      MET   1 -18.860   8.971  -2.116
    3    H3   MET   1           HT3      MET   1 -17.942   7.826  -1.266
    4    HA   MET   1           HA       MET   1 -16.791   9.402  -3.454
    5    HB2  MET   1           HB2      MET   1 -16.537   9.842  -0.465
    6    HB3  MET   1           HB1      MET   1 -15.560  10.639  -1.685
    7    HG2  MET   1           HG2      MET   1 -17.584  11.697  -2.583
    8    HG3  MET   1           HG1      MET   1 -18.529  10.923  -1.314
    9    HE1  MET   1           HE1      MET   1 -15.725  13.559  -2.129
   10    HE2  MET   1           HE2      MET   1 -14.896  12.458  -1.026
   11    HE3  MET   1           HE3      MET   1 -15.265  14.105  -0.516
   12    H    ALA   2           HN       ALA   2 -15.217   8.140  -4.255
   13    HA   ALA   2           HA       ALA   2 -13.777   6.516  -2.300
   14    HB1  ALA   2           HB1      ALA   2 -15.043   5.139  -3.889
   15    HB2  ALA   2           HB2      ALA   2 -13.304   4.926  -4.092
   16    HB3  ALA   2           HB3      ALA   2 -14.208   5.922  -5.229
   17    H    THR   3           HN       THR   3 -12.154   7.911  -1.818
   18    HA   THR   3           HA       THR   3 -10.506   9.124  -3.897
   19    HB   THR   3           HB       THR   3  -9.877   8.621  -1.043
   20    HG1  THR   3           HG1      THR   3 -11.768   9.697  -0.956
   21   HG21  THR   3          HG21      THR   3  -8.504  10.687  -1.252
   22   HG22  THR   3          HG22      THR   3  -8.992  10.800  -2.946
   23   HG23  THR   3          HG23      THR   3  -8.022   9.434  -2.397
   24    H    LEU   4           HN       LEU   4  -9.514   7.994  -5.108
   25    HA   LEU   4           HA       LEU   4  -8.870   5.288  -4.420
   26    HB2  LEU   4           HB2      LEU   4  -9.922   6.231  -6.590
   27    HB3  LEU   4           HB1      LEU   4  -8.252   6.667  -6.957
   28    HG   LEU   4           HG       LEU   4  -7.662   4.357  -6.535
   29   HD11  LEU   4          HD11      LEU   4 -10.657   3.938  -6.716
   30   HD12  LEU   4          HD12      LEU   4  -9.626   3.608  -5.329
   31   HD13  LEU   4          HD13      LEU   4  -9.466   2.641  -6.794
   32   HD21  LEU   4          HD21      LEU   4  -9.480   4.956  -8.867
   33   HD22  LEU   4          HD22      LEU   4  -8.354   3.599  -8.796
   34   HD23  LEU   4          HD23      LEU   4  -7.745   5.253  -8.775
   35    H    LEU   5           HN       LEU   5  -6.744   4.510  -4.833
   36    HA   LEU   5           HA       LEU   5  -4.691   6.486  -4.289
   37    HB2  LEU   5           HB2      LEU   5  -4.731   3.500  -3.886
   38    HB3  LEU   5           HB1      LEU   5  -3.410   4.570  -3.475
   39    HG   LEU   5           HG       LEU   5  -6.148   4.634  -2.196
   40   HD11  LEU   5          HD11      LEU   5  -5.044   3.689  -0.247
   41   HD12  LEU   5          HD12      LEU   5  -3.537   3.555  -1.155
   42   HD13  LEU   5          HD13      LEU   5  -4.944   2.602  -1.630
   43   HD21  LEU   5          HD21      LEU   5  -5.099   6.119  -0.568
   44   HD22  LEU   5          HD22      LEU   5  -5.023   6.804  -2.192
   45   HD23  LEU   5          HD23      LEU   5  -3.591   6.061  -1.480
   46    H    THR   6           HN       THR   6  -3.410   6.932  -6.019
   47    HA   THR   6           HA       THR   6  -3.145   4.995  -8.157
   48    HB   THR   6           HB       THR   6  -1.733   6.789  -9.204
   49    HG1  THR   6           HG1      THR   6  -2.542   8.445  -7.036
   50   HG21  THR   6          HG21      THR   6  -4.154   6.785  -9.633
   51   HG22  THR   6          HG22      THR   6  -3.532   8.430  -9.580
   52   HG23  THR   6          HG23      THR   6  -4.416   7.775  -8.197
   53    H    THR   7           HN       THR   7  -0.486   5.104  -8.875
   54    HA   THR   7           HA       THR   7   0.891   3.641  -6.965
   55    HB   THR   7           HB       THR   7   2.225   5.449  -9.009
   56    HG1  THR   7           HG1      THR   7   1.926   3.695 -10.459
   57   HG21  THR   7          HG21      THR   7   3.678   4.264  -7.431
   58   HG22  THR   7          HG22      THR   7   3.860   3.624  -9.066
   59   HG23  THR   7          HG23      THR   7   2.911   2.738  -7.868
   60    H    ASP   8           HN       ASP   8   1.028   7.088  -7.741
   61    HA   ASP   8           HA       ASP   8   2.851   7.966  -5.822
   62    HB2  ASP   8           HB2      ASP   8   2.329   9.510  -7.488
   63    HB3  ASP   8           HB1      ASP   8   0.597   9.303  -7.275
   64    H    ASP   9           HN       ASP   9  -0.661   7.725  -5.604
   65    HA   ASP   9           HA       ASP   9  -0.821   8.854  -2.988
   66    HB2  ASP   9           HB2      ASP   9  -2.759   6.947  -4.270
   67    HB3  ASP   9           HB1      ASP   9  -3.057   7.867  -2.813
   68    H    LEU  10           HN       LEU  10  -0.354   5.646  -4.195
   69    HA   LEU  10           HA       LEU  10  -0.689   4.291  -1.743
   70    HB2  LEU  10           HB2      LEU  10  -0.644   3.324  -4.115
   71    HB3  LEU  10           HB1      LEU  10   1.103   3.430  -4.002
   72    HG   LEU  10           HG       LEU  10   1.010   1.953  -2.009
   73   HD11  LEU  10          HD11      LEU  10  -1.894   1.725  -2.782
   74   HD12  LEU  10          HD12      LEU  10  -1.257   2.452  -1.309
   75   HD13  LEU  10          HD13      LEU  10  -1.074   0.719  -1.587
   76   HD21  LEU  10          HD21      LEU  10   1.487   1.050  -4.237
   77   HD22  LEU  10          HD22      LEU  10  -0.239   0.843  -4.524
   78   HD23  LEU  10          HD23      LEU  10   0.562  -0.099  -3.269
   79    H    ARG  11           HN       ARG  11   2.129   5.528  -3.505
   80    HA   ARG  11           HA       ARG  11   4.195   4.880  -1.786
   81    HB2  ARG  11           HB2      ARG  11   4.670   5.914  -3.915
   82    HB3  ARG  11           HB1      ARG  11   3.820   7.381  -3.449
   83    HG2  ARG  11           HG2      ARG  11   5.532   7.774  -1.701
   84    HG3  ARG  11           HG1      ARG  11   6.394   6.346  -2.263
   85    HD2  ARG  11           HD2      ARG  11   7.383   8.390  -3.160
   86    HD3  ARG  11           HD1      ARG  11   6.722   7.386  -4.444
   87    HE   ARG  11           HE       ARG  11   4.719   9.141  -3.789
   88   HH11  ARG  11          HH11      ARG  11   8.108   9.674  -4.699
   89   HH12  ARG  11          HH12      ARG  11   7.776  10.984  -5.712
   90   HH21  ARG  11          HH21      ARG  11   4.253  10.936  -5.213
   91   HH22  ARG  11          HH22      ARG  11   5.523  11.724  -6.025
   92    H    ARG  12           HN       ARG  12   2.141   7.734  -1.730
   93    HA   ARG  12           HA       ARG  12   3.223   9.130   0.390
   94    HB2  ARG  12           HB2      ARG  12   1.478   9.982  -1.092
   95    HB3  ARG  12           HB1      ARG  12   0.317   8.893  -0.361
   96    HG2  ARG  12           HG2      ARG  12   0.485  10.077   1.749
   97    HG3  ARG  12           HG1      ARG  12   1.735  11.134   1.079
   98    HD2  ARG  12           HD2      ARG  12  -1.122  10.903   0.135
   99    HD3  ARG  12           HD1      ARG  12  -0.410  12.264   1.011
  100    HE   ARG  12           HE       ARG  12   1.058  12.583  -0.897
  101   HH11  ARG  12          HH11      ARG  12  -2.092  11.123  -1.389
  102   HH12  ARG  12          HH12      ARG  12  -2.050  11.079  -3.086
  103   HH21  ARG  12          HH21      ARG  12   1.205  12.638  -3.145
  104   HH22  ARG  12          HH22      ARG  12   0.041  11.972  -4.183
  105    H    ALA  13           HN       ALA  13   0.824   6.533   0.500
  106    HA   ALA  13           HA       ALA  13   0.270   6.690   3.263
  107    HB1  ALA  13           HB1      ALA  13  -0.667   4.451   3.018
  108    HB2  ALA  13           HB2      ALA  13   0.110   4.290   1.442
  109    HB3  ALA  13           HB3      ALA  13  -1.163   5.487   1.681
  110    H    LEU  14           HN       LEU  14   2.642   4.850   1.423
  111    HA   LEU  14           HA       LEU  14   3.687   3.445   3.629
  112    HB2  LEU  14           HB2      LEU  14   4.729   3.995   0.864
  113    HB3  LEU  14           HB1      LEU  14   5.769   3.248   2.056
  114    HG   LEU  14           HG       LEU  14   4.189   1.349   2.239
  115   HD11  LEU  14          HD11      LEU  14   2.709   2.657  -0.013
  116   HD12  LEU  14          HD12      LEU  14   2.140   2.425   1.648
  117   HD13  LEU  14          HD13      LEU  14   2.443   1.023   0.614
  118   HD21  LEU  14          HD21      LEU  14   5.094   1.919  -0.566
  119   HD22  LEU  14          HD22      LEU  14   4.647   0.335   0.073
  120   HD23  LEU  14          HD23      LEU  14   6.055   1.180   0.714
  121    H    VAL  15           HN       VAL  15   4.476   6.548   2.204
  122    HA   VAL  15           HA       VAL  15   6.787   7.016   3.827
  123    HB   VAL  15           HB       VAL  15   5.039   9.193   2.635
  124   HG11  VAL  15          HG11      VAL  15   7.113  10.479   2.508
  125   HG12  VAL  15          HG12      VAL  15   7.985   9.128   3.225
  126   HG13  VAL  15          HG13      VAL  15   6.753   9.980   4.166
  127   HG21  VAL  15          HG21      VAL  15   7.238   7.665   1.245
  128   HG22  VAL  15          HG22      VAL  15   6.423   9.114   0.628
  129   HG23  VAL  15          HG23      VAL  15   5.508   7.632   0.883
  130    H    GLU  16           HN       GLU  16   3.359   7.771   4.137
  131    HA   GLU  16           HA       GLU  16   3.586   9.274   6.497
  132    HB2  GLU  16           HB2      GLU  16   1.281   7.594   5.502
  133    HB3  GLU  16           HB1      GLU  16   1.186   8.705   6.862
  134    HG2  GLU  16           HG2      GLU  16   1.874   9.449   4.042
  135    HG3  GLU  16           HG1      GLU  16   0.295   9.685   4.758
  136    H    SER  17           HN       SER  17   3.505   5.844   5.943
  137    HA   SER  17           HA       SER  17   3.185   5.220   8.734
  138    HB2  SER  17           HB2      SER  17   2.221   3.840   6.813
  139    HB3  SER  17           HB1      SER  17   3.856   3.313   6.471
  140    HG   SER  17           HG       SER  17   3.322   2.905   9.092
  141    H    ALA  18           HN       ALA  18   5.859   4.825   6.327
  142    HA   ALA  18           HA       ALA  18   7.636   4.103   8.562
  143    HB1  ALA  18           HB1      ALA  18   7.955   3.630   5.616
  144    HB2  ALA  18           HB2      ALA  18   7.368   2.447   6.791
  145    HB3  ALA  18           HB3      ALA  18   9.031   3.041   6.885
  146    H    GLY  19           HN       GLY  19   6.914   6.806   6.844
  147    HA2  GLY  19           HA2      GLY  19   7.989   8.804   6.642
  148    HA3  GLY  19           HA1      GLY  19   9.345   8.114   7.532
  149    H    GLU  20           HN       GLU  20  10.838   8.979   6.153
  150    HA   GLU  20           HA       GLU  20  10.860   7.853   3.463
  151    HB2  GLU  20           HB2      GLU  20  12.748   9.416   2.986
  152    HB3  GLU  20           HB1      GLU  20  11.263  10.236   3.423
  153    HG2  GLU  20           HG2      GLU  20  13.506   9.745   5.367
  154    HG3  GLU  20           HG1      GLU  20  13.404  11.181   4.353
  155    H    THR  21           HN       THR  21  11.502   6.705   6.180
  156    HA   THR  21           HA       THR  21  14.204   5.788   6.098
  157    HB   THR  21           HB       THR  21  11.794   4.531   7.465
  158    HG1  THR  21           HG1      THR  21  11.799   6.568   8.284
  159   HG21  THR  21          HG21      THR  21  14.740   4.540   8.169
  160   HG22  THR  21          HG22      THR  21  13.855   3.175   7.488
  161   HG23  THR  21          HG23      THR  21  13.459   3.766   9.102
  162    H    ASP  22           HN       ASP  22  11.267   3.908   5.861
  163    HA   ASP  22           HA       ASP  22  12.455   2.225   3.822
  164    HB2  ASP  22           HB2      ASP  22   9.731   2.143   5.159
  165    HB3  ASP  22           HB1      ASP  22  10.230   1.031   3.896
  166    H    GLY  23           HN       GLY  23  12.498   3.069   1.893
  167    HA2  GLY  23           HA2      GLY  23  10.424   3.595   0.263
  168    HA3  GLY  23           HA1      GLY  23  10.780   5.181   1.022
  169    H    THR  24           HN       THR  24  12.316   2.397  -0.324
  170    HA   THR  24           HA       THR  24  14.502   4.021  -1.226
  171    HB   THR  24           HB       THR  24  14.296   1.054  -1.551
  172    HG1  THR  24           HG1      THR  24  14.758   2.565   0.856
  173   HG21  THR  24          HG21      THR  24  16.654   1.287  -0.992
  174   HG22  THR  24          HG22      THR  24  16.340   3.015  -0.689
  175   HG23  THR  24          HG23      THR  24  16.193   2.373  -2.331
  176    H    ASP  25           HN       ASP  25  13.290   5.075  -2.870
  177    HA   ASP  25           HA       ASP  25  12.867   5.551  -5.006
  178    HB2  ASP  25           HB2      ASP  25  13.914   2.769  -5.603
  179    HB3  ASP  25           HB1      ASP  25  13.411   3.901  -6.850
  180    H    LEU  26           HN       LEU  26  10.808   5.406  -3.782
  181    HA   LEU  26           HA       LEU  26   8.934   3.525  -5.030
  182    HB2  LEU  26           HB2      LEU  26   8.857   5.214  -2.572
  183    HB3  LEU  26           HB1      LEU  26   7.348   4.796  -3.348
  184    HG   LEU  26           HG       LEU  26   7.754   2.434  -2.969
  185   HD11  LEU  26          HD11      LEU  26  10.175   2.385  -3.189
  186   HD12  LEU  26          HD12      LEU  26   9.650   1.640  -1.681
  187   HD13  LEU  26          HD13      LEU  26  10.338   3.266  -1.670
  188   HD21  LEU  26          HD21      LEU  26   6.656   3.704  -1.237
  189   HD22  LEU  26          HD22      LEU  26   8.214   4.103  -0.516
  190   HD23  LEU  26          HD23      LEU  26   7.655   2.430  -0.536
  191    H    SER  27           HN       SER  27  10.155   6.489  -5.534
  192    HA   SER  27           HA       SER  27   7.852   7.945  -6.276
  193    HB2  SER  27           HB2      SER  27  10.743   8.289  -7.062
  194    HB3  SER  27           HB1      SER  27   9.474   9.509  -7.209
  195    HG   SER  27           HG       SER  27  11.000   9.224  -5.180
  196    H    GLY  28           HN       GLY  28   6.909   8.145  -8.291
  197    HA2  GLY  28           HA2      GLY  28   6.607   7.747 -10.567
  198    HA3  GLY  28           HA1      GLY  28   8.053   6.727 -10.573
  199    H    ASP  29           HN       ASP  29   7.651   4.612 -10.798
  200    HA   ASP  29           HA       ASP  29   5.182   3.601  -9.616
  201    HB2  ASP  29           HB2      ASP  29   6.272   2.861 -12.336
  202    HB3  ASP  29           HB1      ASP  29   5.096   1.878 -11.478
  203    H    PHE  30           HN       PHE  30   5.680   2.379  -8.054
  204    HA   PHE  30           HA       PHE  30   8.083   0.743  -8.301
  205    HB2  PHE  30           HB2      PHE  30   8.295   0.786  -5.882
  206    HB3  PHE  30           HB1      PHE  30   8.125   2.428  -6.479
  207    HD1  PHE  30           HD1      PHE  30   5.734   3.478  -6.326
  208    HD2  PHE  30           HD2      PHE  30   6.970   0.025  -4.159
  209    HE1  PHE  30           HE1      PHE  30   3.922   3.844  -4.702
  210    HE2  PHE  30           HE2      PHE  30   5.166   0.377  -2.539
  211    HZ   PHE  30           HZ       PHE  30   3.629   2.298  -2.808
  212    H    LEU  31           HN       LEU  31   5.101   0.420  -8.952
  213    HA   LEU  31           HA       LEU  31   3.795  -1.429  -7.334
  214    HB2  LEU  31           HB2      LEU  31   3.579  -1.155 -10.303
  215    HB3  LEU  31           HB1      LEU  31   2.479  -2.059  -9.294
  216    HG   LEU  31           HG       LEU  31   2.883   0.917  -9.343
  217   HD11  LEU  31          HD11      LEU  31   0.541   0.871 -10.071
  218   HD12  LEU  31          HD12      LEU  31   0.595  -0.902  -9.972
  219   HD13  LEU  31          HD13      LEU  31   1.599  -0.067 -11.146
  220   HD21  LEU  31          HD21      LEU  31   2.523   0.178  -7.028
  221   HD22  LEU  31          HD22      LEU  31   1.100  -0.729  -7.540
  222   HD23  LEU  31          HD23      LEU  31   1.109   1.031  -7.655
  223    H    ASP  32           HN       ASP  32   6.380  -2.041  -9.515
  224    HA   ASP  32           HA       ASP  32   5.763  -4.893  -9.661
  225    HB2  ASP  32           HB2      ASP  32   8.135  -3.441 -10.853
  226    HB3  ASP  32           HB1      ASP  32   7.586  -5.063 -11.236
  227    H    LEU  33           HN       LEU  33   7.616  -2.740  -7.821
  228    HA   LEU  33           HA       LEU  33   9.766  -4.538  -7.201
  229    HB2  LEU  33           HB2      LEU  33   8.955  -1.833  -6.131
  230    HB3  LEU  33           HB1      LEU  33  10.258  -2.754  -5.429
  231    HG   LEU  33           HG       LEU  33  11.522  -2.581  -7.548
  232   HD11  LEU  33          HD11      LEU  33   9.250  -0.843  -8.475
  233   HD12  LEU  33          HD12      LEU  33   9.691  -2.413  -9.139
  234   HD13  LEU  33          HD13      LEU  33  10.794  -1.043  -9.303
  235   HD21  LEU  33          HD21      LEU  33  11.859  -0.940  -5.801
  236   HD22  LEU  33          HD22      LEU  33  10.553   0.049  -6.456
  237   HD23  LEU  33          HD23      LEU  33  12.025  -0.198  -7.391
  238    H    ARG  34           HN       ARG  34   9.752  -5.973  -5.650
  239    HA   ARG  34           HA       ARG  34   7.312  -6.437  -4.188
  240    HB2  ARG  34           HB2      ARG  34  10.004  -7.787  -3.931
  241    HB3  ARG  34           HB1      ARG  34   8.505  -8.353  -3.217
  242    HG2  ARG  34           HG2      ARG  34   7.588  -8.739  -5.446
  243    HG3  ARG  34           HG1      ARG  34   9.090  -8.134  -6.157
  244    HD2  ARG  34           HD2      ARG  34   8.838 -10.536  -4.346
  245    HD3  ARG  34           HD1      ARG  34   9.040 -10.587  -6.098
  246    HE   ARG  34           HE       ARG  34  11.219  -9.537  -5.775
  247   HH11  ARG  34          HH11      ARG  34   9.767 -11.092  -2.904
  248   HH12  ARG  34          HH12      ARG  34  11.262 -11.442  -2.180
  249   HH21  ARG  34          HH21      ARG  34  13.303 -10.030  -4.712
  250   HH22  ARG  34          HH22      ARG  34  13.292 -10.815  -3.224
  251    H    PHE  35           HN       PHE  35   6.907  -5.934  -2.108
  252    HA   PHE  35           HA       PHE  35   8.321  -3.875  -0.841
  253    HB2  PHE  35           HB2      PHE  35   6.592  -5.905   0.609
  254    HB3  PHE  35           HB1      PHE  35   7.028  -4.288   1.148
  255    HD1  PHE  35           HD1      PHE  35   6.157  -2.338  -0.016
  256    HD2  PHE  35           HD2      PHE  35   4.725  -6.250  -0.811
  257    HE1  PHE  35           HE1      PHE  35   4.166  -1.381  -1.050
  258    HE2  PHE  35           HE2      PHE  35   2.710  -5.289  -1.858
  259    HZ   PHE  35           HZ       PHE  35   2.346  -3.054  -1.956
  260    H    GLU  36           HN       GLU  36   8.368  -7.337  -0.234
  261    HA   GLU  36           HA       GLU  36  10.157  -7.538   1.872
  262    HB2  GLU  36           HB2      GLU  36   9.868  -9.413  -0.485
  263    HB3  GLU  36           HB1      GLU  36  10.577  -9.816   1.068
  264    HG2  GLU  36           HG2      GLU  36   7.708  -8.994   0.675
  265    HG3  GLU  36           HG1      GLU  36   8.268 -10.661   0.738
  266    H    ASP  37           HN       ASP  37  10.750  -6.864  -1.462
  267    HA   ASP  37           HA       ASP  37  13.584  -7.448  -1.371
  268    HB2  ASP  37           HB2      ASP  37  12.490  -8.036  -3.388
  269    HB3  ASP  37           HB1      ASP  37  11.716  -6.463  -3.513
  270    H    ILE  38           HN       ILE  38  11.480  -4.664  -1.242
  271    HA   ILE  38           HA       ILE  38  13.788  -2.911  -1.484
  272    HB   ILE  38           HB       ILE  38  12.150  -1.026  -1.594
  273   HG12  ILE  38          HG12      ILE  38  10.113  -3.268  -1.778
  274   HG13  ILE  38          HG11      ILE  38  10.259  -2.134  -0.443
  275   HG21  ILE  38          HG21      ILE  38  11.899  -3.203  -3.657
  276   HG22  ILE  38          HG22      ILE  38  13.140  -1.949  -3.586
  277   HG23  ILE  38          HG23      ILE  38  11.459  -1.511  -3.896
  278   HD11  ILE  38          HD11      ILE  38   8.408  -1.556  -1.908
  279   HD12  ILE  38          HD12      ILE  38   9.511  -1.450  -3.283
  280   HD13  ILE  38          HD13      ILE  38   9.650  -0.304  -1.950
  281    H    GLY  39           HN       GLY  39  13.358  -4.424   0.969
  282    HA2  GLY  39           HA2      GLY  39  14.305  -3.748   3.039
  283    HA3  GLY  39           HA1      GLY  39  13.778  -2.107   2.715
  284    H    TYR  40           HN       TYR  40  11.133  -3.524   1.961
  285    HA   TYR  40           HA       TYR  40   9.916  -3.016   4.514
  286    HB2  TYR  40           HB2      TYR  40   8.833  -3.625   1.791
  287    HB3  TYR  40           HB1      TYR  40   7.810  -3.676   3.207
  288    HD1  TYR  40           HD2      TYR  40  10.081  -1.479   1.273
  289    HD2  TYR  40           HD1      TYR  40   6.796  -1.694   3.957
  290    HE1  TYR  40           HE2      TYR  40   9.781   0.935   1.057
  291    HE2  TYR  40           HE1      TYR  40   6.465   0.723   3.751
  292    HH   TYR  40           HH       TYR  40   7.685   2.563   1.374
  293    H    ASP  41           HN       ASP  41   8.348  -4.417   5.351
  294    HA   ASP  41           HA       ASP  41   8.604  -7.249   4.704
  295    HB2  ASP  41           HB2      ASP  41   8.513  -6.037   7.467
  296    HB3  ASP  41           HB1      ASP  41   8.196  -7.707   7.133
  297    H    SER  42           HN       SER  42   6.725  -8.192   4.696
  298    HA   SER  42           HA       SER  42   4.394  -6.920   4.281
  299    HB2  SER  42           HB2      SER  42   3.340  -9.145   4.622
  300    HB3  SER  42           HB1      SER  42   4.843  -9.098   3.671
  301    HG   SER  42           HG       SER  42   5.586 -10.524   4.945
  302    H    LEU  43           HN       LEU  43   5.633  -7.830   7.460
  303    HA   LEU  43           HA       LEU  43   3.259  -7.356   8.900
  304    HB2  LEU  43           HB2      LEU  43   5.371  -8.529   9.705
  305    HB3  LEU  43           HB1      LEU  43   6.084  -6.952   9.904
  306    HG   LEU  43           HG       LEU  43   3.628  -7.872  11.425
  307   HD11  LEU  43          HD11      LEU  43   5.510  -9.314  11.922
  308   HD12  LEU  43          HD12      LEU  43   5.146  -8.268  13.293
  309   HD13  LEU  43          HD13      LEU  43   6.520  -7.908  12.248
  310   HD21  LEU  43          HD21      LEU  43   3.931  -5.427  11.346
  311   HD22  LEU  43          HD22      LEU  43   5.575  -5.611  11.954
  312   HD23  LEU  43          HD23      LEU  43   4.206  -6.059  12.970
  313    H    ALA  44           HN       ALA  44   6.035  -5.212   8.226
  314    HA   ALA  44           HA       ALA  44   4.985  -2.885   9.445
  315    HB1  ALA  44           HB1      ALA  44   6.628  -1.650   8.109
  316    HB2  ALA  44           HB2      ALA  44   6.915  -3.092   7.132
  317    HB3  ALA  44           HB3      ALA  44   7.351  -3.087   8.840
  318    H    LEU  45           HN       LEU  45   4.702  -4.247   6.287
  319    HA   LEU  45           HA       LEU  45   3.472  -2.163   4.904
  320    HB2  LEU  45           HB2      LEU  45   4.374  -4.082   3.789
  321    HB3  LEU  45           HB1      LEU  45   3.267  -5.151   4.618
  322    HG   LEU  45           HG       LEU  45   1.396  -4.108   3.381
  323   HD11  LEU  45          HD11      LEU  45   1.888  -2.745   1.420
  324   HD12  LEU  45          HD12      LEU  45   3.595  -2.724   1.868
  325   HD13  LEU  45          HD13      LEU  45   2.398  -1.950   2.913
  326   HD21  LEU  45          HD21      LEU  45   1.902  -5.212   1.269
  327   HD22  LEU  45          HD22      LEU  45   2.421  -6.180   2.647
  328   HD23  LEU  45          HD23      LEU  45   3.608  -5.272   1.709
  329    H    MET  46           HN       MET  46   2.144  -4.709   6.976
  330    HA   MET  46           HA       MET  46  -0.569  -4.187   6.449
  331    HB2  MET  46           HB2      MET  46   0.608  -5.390   8.963
  332    HB3  MET  46           HB1      MET  46  -1.104  -5.311   8.547
  333    HG2  MET  46           HG2      MET  46  -0.700  -6.701   6.589
  334    HG3  MET  46           HG1      MET  46   1.007  -6.803   7.017
  335    HE1  MET  46           HE1      MET  46   0.845  -6.997  10.202
  336    HE2  MET  46           HE2      MET  46   1.911  -7.995   9.216
  337    HE3  MET  46           HE3      MET  46   0.864  -8.747  10.420
  338    H    GLU  47           HN       GLU  47   1.665  -2.663   8.672
  339    HA   GLU  47           HA       GLU  47  -0.219  -1.167  10.190
  340    HB2  GLU  47           HB2      GLU  47   2.183  -1.435  10.787
  341    HB3  GLU  47           HB1      GLU  47   2.612  -0.452   9.405
  342    HG2  GLU  47           HG2      GLU  47   2.751   0.847  11.420
  343    HG3  GLU  47           HG1      GLU  47   1.450   1.452  10.400
  344    H    THR  48           HN       THR  48   1.322  -0.729   7.185
  345    HA   THR  48           HA       THR  48   0.682   1.991   6.667
  346    HB   THR  48           HB       THR  48   1.303  -0.244   4.719
  347    HG1  THR  48           HG1      THR  48   2.840   1.016   6.623
  348   HG21  THR  48          HG21      THR  48   1.667   2.752   4.548
  349   HG22  THR  48          HG22      THR  48   0.449   1.808   3.689
  350   HG23  THR  48          HG23      THR  48   2.159   1.584   3.322
  351    H    ALA  49           HN       ALA  49  -0.513  -1.099   5.414
  352    HA   ALA  49           HA       ALA  49  -2.810  -0.183   4.129
  353    HB1  ALA  49           HB1      ALA  49  -3.591  -2.494   4.275
  354    HB2  ALA  49           HB2      ALA  49  -2.357  -2.845   5.483
  355    HB3  ALA  49           HB3      ALA  49  -1.885  -2.443   3.833
  356    H    ALA  50           HN       ALA  50  -2.205  -0.987   7.504
  357    HA   ALA  50           HA       ALA  50  -4.743  -1.014   8.401
  358    HB1  ALA  50           HB1      ALA  50  -2.332  -0.077   9.943
  359    HB2  ALA  50           HB2      ALA  50  -2.898  -1.740   9.787
  360    HB3  ALA  50           HB3      ALA  50  -3.873  -0.552  10.659
  361    H    ARG  51           HN       ARG  51  -2.526   1.658   8.016
  362    HA   ARG  51           HA       ARG  51  -4.155   3.710   9.050
  363    HB2  ARG  51           HB2      ARG  51  -1.967   3.855   6.980
  364    HB3  ARG  51           HB1      ARG  51  -2.729   5.257   7.711
  365    HG2  ARG  51           HG2      ARG  51  -1.952   4.407   9.928
  366    HG3  ARG  51           HG1      ARG  51  -1.056   3.157   9.060
  367    HD2  ARG  51           HD2      ARG  51   0.420   4.980   9.586
  368    HD3  ARG  51           HD1      ARG  51   0.154   4.919   7.845
  369    HE   ARG  51           HE       ARG  51  -1.632   6.715   8.423
  370   HH11  ARG  51          HH11      ARG  51   1.421   6.426  10.204
  371   HH12  ARG  51          HH12      ARG  51   1.673   8.104  10.279
  372   HH21  ARG  51          HH21      ARG  51  -1.304   9.029   8.613
  373   HH22  ARG  51          HH22      ARG  51   0.107   9.580   9.411
  374    H    LEU  52           HN       LEU  52  -3.786   2.349   5.854
  375    HA   LEU  52           HA       LEU  52  -5.490   4.125   4.518
  376    HB2  LEU  52           HB2      LEU  52  -4.654   1.300   3.939
  377    HB3  LEU  52           HB1      LEU  52  -5.592   2.256   2.815
  378    HG   LEU  52           HG       LEU  52  -2.841   2.992   3.818
  379   HD11  LEU  52          HD11      LEU  52  -2.770   1.016   2.395
  380   HD12  LEU  52          HD12      LEU  52  -2.079   2.417   1.577
  381   HD13  LEU  52          HD13      LEU  52  -3.702   1.862   1.162
  382   HD21  LEU  52          HD21      LEU  52  -2.921   4.682   2.046
  383   HD22  LEU  52          HD22      LEU  52  -4.204   4.923   3.233
  384   HD23  LEU  52          HD23      LEU  52  -4.574   4.203   1.665
  385    H    GLU  53           HN       GLU  53  -6.079   1.021   6.095
  386    HA   GLU  53           HA       GLU  53  -8.804   0.704   5.618
  387    HB2  GLU  53           HB2      GLU  53  -7.271   0.090   8.152
  388    HB3  GLU  53           HB1      GLU  53  -8.889  -0.482   7.797
  389    HG2  GLU  53           HG2      GLU  53  -8.000  -1.755   5.899
  390    HG3  GLU  53           HG1      GLU  53  -6.375  -1.189   6.302
  391    H    SER  54           HN       SER  54  -7.202   2.281   8.328
  392    HA   SER  54           HA       SER  54  -9.521   3.196   9.597
  393    HB2  SER  54           HB2      SER  54  -7.310   2.863  10.689
  394    HB3  SER  54           HB1      SER  54  -6.692   4.257   9.813
  395    HG   SER  54           HG       SER  54  -8.998   4.518  11.416
  396    H    ARG  55           HN       ARG  55  -7.341   4.808   7.292
  397    HA   ARG  55           HA       ARG  55  -8.417   7.412   7.461
  398    HB2  ARG  55           HB2      ARG  55  -6.213   6.606   6.448
  399    HB3  ARG  55           HB1      ARG  55  -7.149   6.256   5.009
  400    HG2  ARG  55           HG2      ARG  55  -6.970   8.980   6.299
  401    HG3  ARG  55           HG1      ARG  55  -5.918   8.412   5.020
  402    HD2  ARG  55           HD2      ARG  55  -7.987   8.124   3.597
  403    HD3  ARG  55           HD1      ARG  55  -8.904   8.888   4.890
  404    HE   ARG  55           HE       ARG  55  -6.656  10.420   3.980
  405   HH11  ARG  55          HH11      ARG  55 -10.204   9.989   3.701
  406   HH12  ARG  55          HH12      ARG  55 -10.405  11.294   2.650
  407   HH21  ARG  55          HH21      ARG  55  -6.996  12.276   2.531
  408   HH22  ARG  55          HH22      ARG  55  -8.564  12.651   2.027
  409    H    TYR  56           HN       TYR  56  -9.082   4.786   5.119
  410    HA   TYR  56           HA       TYR  56 -11.045   6.558   3.895
  411    HB2  TYR  56           HB2      TYR  56  -9.835   3.981   2.917
  412    HB3  TYR  56           HB1      TYR  56 -11.092   4.851   2.046
  413    HD1  TYR  56           HD1      TYR  56 -10.588   7.271   1.336
  414    HD2  TYR  56           HD2      TYR  56  -7.601   4.558   2.676
  415    HE1  TYR  56           HE1      TYR  56  -8.858   8.642   0.253
  416    HE2  TYR  56           HE2      TYR  56  -5.870   5.922   1.607
  417    HH   TYR  56           HH       TYR  56  -6.378   9.037   0.526
  418    H    GLY  57           HN       GLY  57 -11.097   4.164   6.176
  419    HA2  GLY  57           HA2      GLY  57 -12.932   3.299   7.272
  420    HA3  GLY  57           HA1      GLY  57 -13.968   4.080   6.081
  421    H    VAL  58           HN       VAL  58 -11.447   1.617   5.995
  422    HA   VAL  58           HA       VAL  58 -13.320  -0.222   4.752
  423    HB   VAL  58           HB       VAL  58 -12.087   1.087   2.961
  424   HG11  VAL  58          HG11      VAL  58  -9.973   1.406   3.964
  425   HG12  VAL  58          HG12      VAL  58  -9.764   0.544   2.437
  426   HG13  VAL  58          HG13      VAL  58  -9.655  -0.328   3.964
  427   HG21  VAL  58          HG21      VAL  58 -11.511  -0.844   1.534
  428   HG22  VAL  58          HG22      VAL  58 -13.049  -1.051   2.371
  429   HG23  VAL  58          HG23      VAL  58 -11.610  -1.892   2.951
  430    H    SER  59           HN       SER  59 -11.977  -2.473   4.526
  431    HA   SER  59           HA       SER  59 -10.047  -2.682   6.684
  432    HB2  SER  59           HB2      SER  59 -11.280  -4.788   7.439
  433    HB3  SER  59           HB1      SER  59 -12.019  -3.241   7.861
  434    HG   SER  59           HG       SER  59 -13.625  -3.636   6.650
  435    H    ILE  60           HN       ILE  60  -8.549  -4.240   6.375
  436    HA   ILE  60           HA       ILE  60  -8.752  -5.829   3.899
  437    HB   ILE  60           HB       ILE  60  -6.231  -4.563   5.036
  438   HG12  ILE  60          HG12      ILE  60  -7.749  -3.760   2.538
  439   HG13  ILE  60          HG11      ILE  60  -7.802  -2.877   4.060
  440   HG21  ILE  60          HG21      ILE  60  -5.818  -6.649   3.846
  441   HG22  ILE  60          HG22      ILE  60  -5.194  -5.281   2.920
  442   HG23  ILE  60          HG23      ILE  60  -6.709  -6.046   2.446
  443   HD11  ILE  60          HD11      ILE  60  -6.286  -1.825   2.486
  444   HD12  ILE  60          HD12      ILE  60  -5.367  -3.329   2.353
  445   HD13  ILE  60          HD13      ILE  60  -5.404  -2.454   3.881
  446    HA   PRO  61           HA       PRO  61  -8.128  -9.090   6.974
  447    HB2  PRO  61           HB2      PRO  61  -7.481 -10.659   4.533
  448    HB3  PRO  61           HB1      PRO  61  -8.664 -11.004   5.801
  449    HG2  PRO  61           HG2      PRO  61  -9.441 -10.183   3.387
  450    HG3  PRO  61           HG1      PRO  61 -10.276  -9.641   4.855
  451    HD2  PRO  61           HD2      PRO  61  -8.301  -8.189   3.144
  452    HD3  PRO  61           HD1      PRO  61  -9.759  -7.572   3.952
  453    H    ASP  62           HN       ASP  62  -6.312  -9.421   8.019
  454    HA   ASP  62           HA       ASP  62  -3.841  -8.413   7.283
  455    HB2  ASP  62           HB2      ASP  62  -2.886  -9.442   9.227
  456    HB3  ASP  62           HB1      ASP  62  -4.503  -8.888   9.626
  457    H    ASP  63           HN       ASP  63  -5.090 -11.616   6.615
  458    HA   ASP  63           HA       ASP  63  -2.611 -12.806   5.903
  459    HB2  ASP  63           HB2      ASP  63  -4.548 -14.234   6.219
  460    HB3  ASP  63           HB1      ASP  63  -5.419 -13.412   4.927
  461    H    VAL  64           HN       VAL  64  -5.028 -11.044   4.088
  462    HA   VAL  64           HA       VAL  64  -3.701 -11.277   1.560
  463    HB   VAL  64           HB       VAL  64  -5.801  -9.258   2.428
  464   HG11  VAL  64          HG11      VAL  64  -4.683  -8.599   0.378
  465   HG12  VAL  64          HG12      VAL  64  -6.339  -9.096   0.036
  466   HG13  VAL  64          HG13      VAL  64  -4.999 -10.184  -0.329
  467   HG21  VAL  64          HG21      VAL  64  -7.450 -10.776   1.423
  468   HG22  VAL  64          HG22      VAL  64  -6.612 -11.520   2.784
  469   HG23  VAL  64          HG23      VAL  64  -6.174 -11.957   1.134
  470    H    ALA  65           HN       ALA  65  -3.975  -8.837   4.074
  471    HA   ALA  65           HA       ALA  65  -2.533  -6.756   2.909
  472    HB1  ALA  65           HB1      ALA  65  -2.699  -7.458   5.836
  473    HB2  ALA  65           HB2      ALA  65  -3.881  -6.507   4.940
  474    HB3  ALA  65           HB3      ALA  65  -2.244  -5.889   5.168
  475    H    GLY  66           HN       GLY  66  -1.377  -9.689   4.428
  476    HA2  GLY  66           HA2      GLY  66   1.373  -8.706   4.190
  477    HA3  GLY  66           HA1      GLY  66   0.860 -10.121   5.100
  478    H    ARG  67           HN       ARG  67  -0.811 -10.252   2.293
  479    HA   ARG  67           HA       ARG  67   1.106 -12.175   1.198
  480    HB2  ARG  67           HB2      ARG  67  -1.158 -12.992   1.777
  481    HB3  ARG  67           HB1      ARG  67  -1.850 -11.850   0.650
  482    HG2  ARG  67           HG2      ARG  67  -1.850 -14.110  -0.254
  483    HG3  ARG  67           HG1      ARG  67  -0.824 -13.047  -1.211
  484    HD2  ARG  67           HD2      ARG  67   0.245 -14.871   0.942
  485    HD3  ARG  67           HD1      ARG  67   0.071 -15.363  -0.740
  486    HE   ARG  67           HE       ARG  67   1.523 -13.208  -1.076
  487   HH11  ARG  67          HH11      ARG  67   1.968 -15.719   1.422
  488   HH12  ARG  67          HH12      ARG  67   3.642 -15.438   1.547
  489   HH21  ARG  67          HH21      ARG  67   3.794 -12.897  -0.879
  490   HH22  ARG  67          HH22      ARG  67   4.707 -13.790   0.251
  491    H    VAL  68           HN       VAL  68  -0.014  -9.098   0.685
  492    HA   VAL  68           HA       VAL  68   0.276  -9.124  -2.163
  493    HB   VAL  68           HB       VAL  68   0.082  -6.587  -1.917
  494   HG11  VAL  68          HG11      VAL  68  -2.317  -6.680  -1.392
  495   HG12  VAL  68          HG12      VAL  68  -2.104  -8.301  -0.733
  496   HG13  VAL  68          HG13      VAL  68  -1.829  -8.005  -2.451
  497   HG21  VAL  68          HG21      VAL  68   0.888  -6.423   0.407
  498   HG22  VAL  68          HG22      VAL  68  -0.530  -7.321   0.953
  499   HG23  VAL  68          HG23      VAL  68  -0.722  -5.726   0.226
  500    H    ASP  69           HN       ASP  69   2.218  -9.540  -2.938
  501    HA   ASP  69           HA       ASP  69   4.650  -8.689  -1.614
  502    HB2  ASP  69           HB2      ASP  69   3.974 -10.323  -4.021
  503    HB3  ASP  69           HB1      ASP  69   5.617  -9.918  -3.611
  504    H    THR  70           HN       THR  70   2.896  -8.122  -4.518
  505    HA   THR  70           HA       THR  70   4.781  -5.986  -5.041
  506    HB   THR  70           HB       THR  70   3.929  -6.081  -7.402
  507    HG1  THR  70           HG1      THR  70   2.593  -8.405  -6.363
  508   HG21  THR  70          HG21      THR  70   5.130  -8.212  -7.915
  509   HG22  THR  70          HG22      THR  70   5.127  -8.548  -6.164
  510   HG23  THR  70          HG23      THR  70   5.993  -7.157  -6.790
  511    HA   PRO  71           HA       PRO  71   1.886  -2.959  -3.749
  512    HB2  PRO  71           HB2      PRO  71   3.075  -1.443  -6.016
  513    HB3  PRO  71           HB1      PRO  71   2.827  -0.950  -4.335
  514    HG2  PRO  71           HG2      PRO  71   5.239  -1.644  -5.180
  515    HG3  PRO  71           HG1      PRO  71   4.662  -2.136  -3.575
  516    HD2  PRO  71           HD2      PRO  71   4.929  -3.742  -6.067
  517    HD3  PRO  71           HD1      PRO  71   5.178  -4.226  -4.379
  518    H    ARG  72           HN       ARG  72   2.177  -3.784  -7.163
  519    HA   ARG  72           HA       ARG  72  -0.094  -2.517  -8.140
  520    HB2  ARG  72           HB2      ARG  72  -0.102  -4.098  -9.982
  521    HB3  ARG  72           HB1      ARG  72   1.564  -3.734  -9.576
  522    HG2  ARG  72           HG2      ARG  72   1.780  -5.846  -8.424
  523    HG3  ARG  72           HG1      ARG  72   0.076  -6.194  -8.686
  524    HD2  ARG  72           HD2      ARG  72   1.261  -7.430 -10.292
  525    HD3  ARG  72           HD1      ARG  72   0.555  -6.063 -11.145
  526    HE   ARG  72           HE       ARG  72   2.673  -5.050 -11.252
  527   HH11  ARG  72          HH11      ARG  72   2.753  -8.365  -9.946
  528   HH12  ARG  72          HH12      ARG  72   4.387  -8.622 -10.305
  529   HH21  ARG  72          HH21      ARG  72   4.906  -5.425 -11.775
  530   HH22  ARG  72          HH22      ARG  72   5.635  -6.932 -11.431
  531    H    GLU  73           HN       GLU  73   0.153  -5.693  -6.591
  532    HA   GLU  73           HA       GLU  73  -2.531  -6.494  -6.928
  533    HB2  GLU  73           HB2      GLU  73  -0.414  -7.383  -4.971
  534    HB3  GLU  73           HB1      GLU  73  -1.933  -8.223  -5.238
  535    HG2  GLU  73           HG2      GLU  73   0.152  -7.733  -7.340
  536    HG3  GLU  73           HG1      GLU  73   0.015  -9.225  -6.420
  537    H    LEU  74           HN       LEU  74  -0.764  -4.939  -4.373
  538    HA   LEU  74           HA       LEU  74  -2.870  -4.919  -2.476
  539    HB2  LEU  74           HB2      LEU  74  -0.502  -4.771  -1.839
  540    HB3  LEU  74           HB1      LEU  74  -0.339  -3.259  -2.685
  541    HG   LEU  74           HG       LEU  74  -0.409  -3.181  -0.127
  542   HD11  LEU  74          HD11      LEU  74  -0.616  -1.199  -1.442
  543   HD12  LEU  74          HD12      LEU  74  -1.681  -1.141  -0.037
  544   HD13  LEU  74          HD13      LEU  74  -2.345  -1.483  -1.636
  545   HD21  LEU  74          HD21      LEU  74  -2.267  -4.749   0.212
  546   HD22  LEU  74          HD22      LEU  74  -3.352  -3.629  -0.610
  547   HD23  LEU  74          HD23      LEU  74  -2.609  -3.170   0.922
  548    H    LEU  75           HN       LEU  75  -1.631  -2.539  -4.772
  549    HA   LEU  75           HA       LEU  75  -3.330  -0.413  -4.222
  550    HB2  LEU  75           HB2      LEU  75  -1.328  -0.416  -5.743
  551    HB3  LEU  75           HB1      LEU  75  -2.301  -1.255  -6.934
  552    HG   LEU  75           HG       LEU  75  -3.846   0.692  -6.969
  553   HD11  LEU  75          HD11      LEU  75  -3.082   2.789  -5.990
  554   HD12  LEU  75          HD12      LEU  75  -1.711   1.944  -5.262
  555   HD13  LEU  75          HD13      LEU  75  -3.357   1.555  -4.761
  556   HD21  LEU  75          HD21      LEU  75  -2.090   0.443  -8.656
  557   HD22  LEU  75          HD22      LEU  75  -0.955   1.292  -7.606
  558   HD23  LEU  75          HD23      LEU  75  -2.355   2.141  -8.259
  559    H    ASP  76           HN       ASP  76  -3.639  -3.014  -6.592
  560    HA   ASP  76           HA       ASP  76  -6.137  -2.426  -7.642
  561    HB2  ASP  76           HB2      ASP  76  -4.736  -4.020  -8.733
  562    HB3  ASP  76           HB1      ASP  76  -4.694  -5.052  -7.310
  563    H    LEU  77           HN       LEU  77  -5.325  -4.458  -4.873
  564    HA   LEU  77           HA       LEU  77  -7.908  -5.416  -4.309
  565    HB2  LEU  77           HB2      LEU  77  -5.713  -6.301  -3.413
  566    HB3  LEU  77           HB1      LEU  77  -5.641  -4.922  -2.354
  567    HG   LEU  77           HG       LEU  77  -6.304  -7.048  -1.242
  568   HD11  LEU  77          HD11      LEU  77  -8.417  -4.912  -1.111
  569   HD12  LEU  77          HD12      LEU  77  -6.929  -4.975  -0.171
  570   HD13  LEU  77          HD13      LEU  77  -8.176  -6.199   0.069
  571   HD21  LEU  77          HD21      LEU  77  -8.804  -6.796  -2.901
  572   HD22  LEU  77          HD22      LEU  77  -8.567  -7.933  -1.573
  573   HD23  LEU  77          HD23      LEU  77  -7.576  -8.059  -3.028
  574    H    ILE  78           HN       ILE  78  -6.116  -2.648  -3.006
  575    HA   ILE  78           HA       ILE  78  -8.241  -1.766  -1.364
  576    HB   ILE  78           HB       ILE  78  -5.847  -0.207  -2.399
  577   HG12  ILE  78          HG12      ILE  78  -6.350  -1.649   0.216
  578   HG13  ILE  78          HG11      ILE  78  -5.268  -2.175  -1.067
  579   HG21  ILE  78          HG21      ILE  78  -7.655   1.304  -1.677
  580   HG22  ILE  78          HG22      ILE  78  -6.302   1.354  -0.550
  581   HG23  ILE  78          HG23      ILE  78  -7.761   0.448  -0.138
  582   HD11  ILE  78          HD11      ILE  78  -4.041  -1.196   0.755
  583   HD12  ILE  78          HD12      ILE  78  -4.964   0.300   0.612
  584   HD13  ILE  78          HD13      ILE  78  -3.886  -0.207  -0.690
  585    H    ASN  79           HN       ASN  79  -7.169  -0.803  -4.598
  586    HA   ASN  79           HA       ASN  79  -9.012   1.264  -5.112
  587    HB2  ASN  79           HB2      ASN  79  -7.661  -0.740  -6.923
  588    HB3  ASN  79           HB1      ASN  79  -8.853   0.366  -7.570
  589   HD21  ASN  79          HD21      ASN  79  -6.652   1.419  -5.028
  590   HD22  ASN  79          HD22      ASN  79  -5.690   2.415  -6.082
  591    H    GLY  80           HN       GLY  80  -9.370  -2.235  -5.609
  592    HA2  GLY  80           HA2      GLY  80 -11.972  -2.156  -6.654
  593    HA3  GLY  80           HA1      GLY  80 -11.201  -3.538  -5.893
  594    H    ALA  81           HN       ALA  81 -10.786  -2.533  -3.348
  595    HA   ALA  81           HA       ALA  81 -13.326  -2.943  -2.177
  596    HB1  ALA  81           HB1      ALA  81 -10.784  -1.935  -0.890
  597    HB2  ALA  81           HB2      ALA  81 -11.234  -3.628  -1.082
  598    HB3  ALA  81           HB3      ALA  81 -12.191  -2.572  -0.041
  599    H    LEU  82           HN       LEU  82 -11.361  -0.057  -2.712
  600    HA   LEU  82           HA       LEU  82 -12.907   1.810  -1.328
  601    HB2  LEU  82           HB2      LEU  82 -11.158   2.023  -3.757
  602    HB3  LEU  82           HB1      LEU  82 -11.875   3.435  -3.038
  603    HG   LEU  82           HG       LEU  82  -9.917   1.560  -1.709
  604   HD11  LEU  82          HD11      LEU  82  -9.573   4.376  -2.728
  605   HD12  LEU  82          HD12      LEU  82  -8.895   2.915  -3.447
  606   HD13  LEU  82          HD13      LEU  82  -8.367   3.436  -1.849
  607   HD21  LEU  82          HD21      LEU  82 -11.476   2.524  -0.100
  608   HD22  LEU  82          HD22      LEU  82 -11.120   4.140  -0.712
  609   HD23  LEU  82          HD23      LEU  82  -9.863   3.207   0.099
  610    H    ALA  83           HN       ALA  83 -13.045   0.733  -4.682
  611    HA   ALA  83           HA       ALA  83 -15.219   2.341  -5.443
  612    HB1  ALA  83           HB1      ALA  83 -13.701   1.315  -7.051
  613    HB2  ALA  83           HB2      ALA  83 -15.379   0.894  -7.391
  614    HB3  ALA  83           HB3      ALA  83 -14.314  -0.281  -6.618
  615    H    GLU  84           HN       GLU  84 -15.059  -0.499  -3.533
  616    HA   GLU  84           HA       GLU  84 -17.852  -1.196  -4.011
  617    HB2  GLU  84           HB2      GLU  84 -15.994  -2.930  -4.020
  618    HB3  GLU  84           HB1      GLU  84 -15.833  -2.650  -2.295
  619    HG2  GLU  84           HG2      GLU  84 -17.159  -4.626  -2.728
  620    HG3  GLU  84           HG1      GLU  84 -18.147  -3.376  -1.967
  621    H    ALA  85           HN       ALA  85 -16.396   1.000  -2.207
  622    HA   ALA  85           HA       ALA  85 -17.802   0.469   0.298
  623    HB1  ALA  85           HB1      ALA  85 -15.932   2.728  -0.440
  624    HB2  ALA  85           HB2      ALA  85 -15.475   1.257   0.416
  625    HB3  ALA  85           HB3      ALA  85 -16.579   2.407   1.169
  626    H    ALA  86           HN       ALA  86 -19.005   1.233  -2.353
  627    HA   ALA  86           HA       ALA  86 -20.663   2.395  -3.249
  628    HB1  ALA  86           HB1      ALA  86 -21.907   1.818  -1.189
  629    HB2  ALA  86           HB2      ALA  86 -22.381   3.401  -1.809
  630    HB3  ALA  86           HB3      ALA  86 -21.299   3.288  -0.421
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1 -17.006   7.176   1.465
    2    H2   MET   1           HT2      MET   1 -17.746   8.652   1.797
    3    H3   MET   1           HT3      MET   1 -16.296   8.234   2.591
    4    HA   MET   1           HA       MET   1 -16.657   8.730  -0.290
    5    HB2  MET   1           HB2      MET   1 -15.179  10.287   1.859
    6    HB3  MET   1           HB1      MET   1 -15.058  10.616   0.139
    7    HG2  MET   1           HG2      MET   1 -16.532  12.204   1.186
    8    HG3  MET   1           HG1      MET   1 -17.448  11.172   0.094
    9    HE1  MET   1           HE1      MET   1 -20.002  11.977   2.979
   10    HE2  MET   1           HE2      MET   1 -19.696  12.057   1.243
   11    HE3  MET   1           HE3      MET   1 -18.751  13.050   2.353
   12    H    ALA   2           HN       ALA   2 -15.115   7.934  -1.559
   13    HA   ALA   2           HA       ALA   2 -12.662   6.961  -0.332
   14    HB1  ALA   2           HB1      ALA   2 -14.207   5.060  -0.373
   15    HB2  ALA   2           HB2      ALA   2 -12.846   4.810  -1.466
   16    HB3  ALA   2           HB3      ALA   2 -14.422   5.272  -2.109
   17    H    THR   3           HN       THR   3 -11.306   8.278  -1.350
   18    HA   THR   3           HA       THR   3 -11.346   8.493  -4.279
   19    HB   THR   3           HB       THR   3  -9.562   9.706  -2.229
   20    HG1  THR   3           HG1      THR   3 -11.834  10.753  -3.609
   21   HG21  THR   3          HG21      THR   3 -10.036  10.423  -5.126
   22   HG22  THR   3          HG22      THR   3  -8.592   9.650  -4.468
   23   HG23  THR   3          HG23      THR   3  -8.981  11.313  -4.029
   24    H    LEU   4           HN       LEU   4 -10.404   7.267  -5.430
   25    HA   LEU   4           HA       LEU   4  -9.281   4.900  -4.605
   26    HB2  LEU   4           HB2      LEU   4 -10.348   5.666  -6.820
   27    HB3  LEU   4           HB1      LEU   4  -8.699   6.176  -7.185
   28    HG   LEU   4           HG       LEU   4  -7.982   3.924  -6.622
   29   HD11  LEU   4          HD11      LEU   4 -10.932   3.341  -6.901
   30   HD12  LEU   4          HD12      LEU   4  -9.945   3.135  -5.455
   31   HD13  LEU   4          HD13      LEU   4  -9.667   2.111  -6.866
   32   HD21  LEU   4          HD21      LEU   4  -9.750   4.320  -9.033
   33   HD22  LEU   4          HD22      LEU   4  -8.544   3.046  -8.870
   34   HD23  LEU   4          HD23      LEU   4  -8.043   4.737  -8.898
   35    H    LEU   5           HN       LEU   5  -7.223   4.130  -4.732
   36    HA   LEU   5           HA       LEU   5  -5.117   6.016  -4.188
   37    HB2  LEU   5           HB2      LEU   5  -5.242   3.018  -4.120
   38    HB3  LEU   5           HB1      LEU   5  -3.853   3.982  -3.677
   39    HG   LEU   5           HG       LEU   5  -6.513   4.042  -2.293
   40   HD11  LEU   5          HD11      LEU   5  -3.876   2.792  -1.498
   41   HD12  LEU   5          HD12      LEU   5  -5.329   1.909  -1.968
   42   HD13  LEU   5          HD13      LEU   5  -5.315   2.862  -0.486
   43   HD21  LEU   5          HD21      LEU   5  -5.317   6.127  -2.131
   44   HD22  LEU   5          HD22      LEU   5  -3.875   5.274  -1.579
   45   HD23  LEU   5          HD23      LEU   5  -5.330   5.291  -0.581
   46    H    THR   6           HN       THR   6  -3.777   6.610  -5.769
   47    HA   THR   6           HA       THR   6  -3.400   4.839  -8.030
   48    HB   THR   6           HB       THR   6  -2.049   6.865  -8.852
   49    HG1  THR   6           HG1      THR   6  -3.099   8.819  -7.651
   50   HG21  THR   6          HG21      THR   6  -5.018   7.207  -8.355
   51   HG22  THR   6          HG22      THR   6  -4.294   6.343  -9.714
   52   HG23  THR   6          HG23      THR   6  -4.078   8.085  -9.559
   53    H    THR   7           HN       THR   7  -0.859   5.079  -8.696
   54    HA   THR   7           HA       THR   7   0.626   3.757  -6.747
   55    HB   THR   7           HB       THR   7   1.777   5.478  -8.962
   56    HG1  THR   7           HG1      THR   7   1.580   3.592 -10.226
   57   HG21  THR   7          HG21      THR   7   3.377   4.552  -7.340
   58   HG22  THR   7          HG22      THR   7   3.558   3.795  -8.924
   59   HG23  THR   7          HG23      THR   7   2.725   2.937  -7.628
   60    H    ASP   8           HN       ASP   8   0.388   7.122  -7.629
   61    HA   ASP   8           HA       ASP   8   2.385   8.294  -6.097
   62    HB2  ASP   8           HB2      ASP   8   0.976   9.358  -7.885
   63    HB3  ASP   8           HB1      ASP   8  -0.326   9.473  -6.711
   64    H    ASP   9           HN       ASP   9  -1.068   7.893  -5.252
   65    HA   ASP   9           HA       ASP   9  -0.732   8.911  -2.597
   66    HB2  ASP   9           HB2      ASP   9  -3.013   8.718  -3.946
   67    HB3  ASP   9           HB1      ASP   9  -3.000   7.085  -3.334
   68    H    LEU  10           HN       LEU  10  -0.625   5.732  -4.018
   69    HA   LEU  10           HA       LEU  10  -0.748   4.180  -1.658
   70    HB2  LEU  10           HB2      LEU  10  -0.939   3.410  -4.087
   71    HB3  LEU  10           HB1      LEU  10   0.811   3.483  -4.141
   72    HG   LEU  10           HG       LEU  10   0.816   1.867  -2.204
   73   HD11  LEU  10          HD11      LEU  10  -1.215   0.533  -1.889
   74   HD12  LEU  10          HD12      LEU  10  -2.081   1.622  -2.977
   75   HD13  LEU  10          HD13      LEU  10  -1.450   2.227  -1.449
   76   HD21  LEU  10          HD21      LEU  10   1.331   1.171  -4.490
   77   HD22  LEU  10          HD22      LEU  10  -0.387   0.948  -4.820
   78   HD23  LEU  10          HD23      LEU  10   0.423  -0.082  -3.643
   79    H    ARG  11           HN       ARG  11   1.932   5.432  -3.565
   80    HA   ARG  11           HA       ARG  11   4.128   4.591  -2.107
   81    HB2  ARG  11           HB2      ARG  11   4.181   5.717  -4.292
   82    HB3  ARG  11           HB1      ARG  11   3.693   7.214  -3.522
   83    HG2  ARG  11           HG2      ARG  11   5.794   7.233  -2.264
   84    HG3  ARG  11           HG1      ARG  11   6.284   5.750  -3.098
   85    HD2  ARG  11           HD2      ARG  11   7.232   7.721  -4.183
   86    HD3  ARG  11           HD1      ARG  11   6.100   6.880  -5.246
   87    HE   ARG  11           HE       ARG  11   5.250   9.187  -3.654
   88   HH11  ARG  11          HH11      ARG  11   5.387   7.575  -6.855
   89   HH12  ARG  11          HH12      ARG  11   4.693   8.911  -7.652
   90   HH21  ARG  11          HH21      ARG  11   4.240  10.875  -4.750
   91   HH22  ARG  11          HH22      ARG  11   3.889  10.800  -6.401
   92    H    ARG  12           HN       ARG  12   2.113   7.445  -1.707
   93    HA   ARG  12           HA       ARG  12   3.384   8.726   0.407
   94    HB2  ARG  12           HB2      ARG  12   1.624   9.880  -0.672
   95    HB3  ARG  12           HB1      ARG  12   0.482   8.572  -0.395
   96    HG2  ARG  12           HG2      ARG  12   0.600   9.056   2.032
   97    HG3  ARG  12           HG1      ARG  12   1.630  10.437   1.663
   98    HD2  ARG  12           HD2      ARG  12  -0.108  11.521   0.488
   99    HD3  ARG  12           HD1      ARG  12  -1.104  10.064   0.487
  100    HE   ARG  12           HE       ARG  12  -0.712  10.511   3.088
  101   HH11  ARG  12          HH11      ARG  12  -1.695  12.728   0.522
  102   HH12  ARG  12          HH12      ARG  12  -2.891  13.541   1.417
  103   HH21  ARG  12          HH21      ARG  12  -2.395  11.624   4.393
  104   HH22  ARG  12          HH22      ARG  12  -3.293  12.892   3.685
  105    H    ALA  13           HN       ALA  13   0.929   6.182   0.478
  106    HA   ALA  13           HA       ALA  13   0.574   6.056   3.254
  107    HB1  ALA  13           HB1      ALA  13   0.277   3.840   1.236
  108    HB2  ALA  13           HB2      ALA  13  -0.956   5.034   1.643
  109    HB3  ALA  13           HB3      ALA  13  -0.415   3.877   2.857
  110    H    LEU  14           HN       LEU  14   2.828   4.354   1.135
  111    HA   LEU  14           HA       LEU  14   3.936   2.751   3.184
  112    HB2  LEU  14           HB2      LEU  14   4.925   3.529   0.473
  113    HB3  LEU  14           HB1      LEU  14   6.027   2.768   1.599
  114    HG   LEU  14           HG       LEU  14   4.406   0.850   1.731
  115   HD11  LEU  14          HD11      LEU  14   3.157   2.188  -0.645
  116   HD12  LEU  14          HD12      LEU  14   2.417   1.915   0.934
  117   HD13  LEU  14          HD13      LEU  14   2.835   0.541  -0.093
  118   HD21  LEU  14          HD21      LEU  14   5.656   1.472  -0.930
  119   HD22  LEU  14          HD22      LEU  14   5.153  -0.127  -0.375
  120   HD23  LEU  14          HD23      LEU  14   6.450   0.728   0.457
  121    H    VAL  15           HN       VAL  15   4.891   5.885   1.904
  122    HA   VAL  15           HA       VAL  15   7.181   6.210   3.515
  123    HB   VAL  15           HB       VAL  15   5.369   8.398   2.424
  124   HG11  VAL  15          HG11      VAL  15   7.351   9.836   2.590
  125   HG12  VAL  15          HG12      VAL  15   8.255   8.510   3.313
  126   HG13  VAL  15          HG13      VAL  15   6.878   9.210   4.172
  127   HG21  VAL  15          HG21      VAL  15   7.837   7.141   1.217
  128   HG22  VAL  15          HG22      VAL  15   6.962   8.522   0.560
  129   HG23  VAL  15          HG23      VAL  15   6.181   6.943   0.644
  130    H    GLU  16           HN       GLU  16   3.811   7.274   4.010
  131    HA   GLU  16           HA       GLU  16   4.290   8.438   6.517
  132    HB2  GLU  16           HB2      GLU  16   1.687   7.345   5.431
  133    HB3  GLU  16           HB1      GLU  16   1.837   8.338   6.874
  134    HG2  GLU  16           HG2      GLU  16   2.852  10.122   5.429
  135    HG3  GLU  16           HG1      GLU  16   2.427   9.135   4.036
  136    H    SER  17           HN       SER  17   3.643   5.143   5.638
  137    HA   SER  17           HA       SER  17   3.134   4.231   8.282
  138    HB2  SER  17           HB2      SER  17   2.324   3.038   6.304
  139    HB3  SER  17           HB1      SER  17   3.981   2.703   5.819
  140    HG   SER  17           HG       SER  17   4.217   1.337   7.535
  141    H    ALA  18           HN       ALA  18   5.974   4.001   6.142
  142    HA   ALA  18           HA       ALA  18   7.548   2.668   8.103
  143    HB1  ALA  18           HB1      ALA  18   8.411   4.027   5.560
  144    HB2  ALA  18           HB2      ALA  18   7.900   2.345   5.706
  145    HB3  ALA  18           HB3      ALA  18   9.368   2.896   6.512
  146    H    GLY  19           HN       GLY  19   7.422   5.990   6.886
  147    HA2  GLY  19           HA2      GLY  19   7.922   7.880   8.150
  148    HA3  GLY  19           HA1      GLY  19   8.771   6.856   9.312
  149    H    GLU  20           HN       GLU  20  10.821   7.343   9.319
  150    HA   GLU  20           HA       GLU  20  12.097   8.231   6.896
  151    HB2  GLU  20           HB2      GLU  20  12.939   8.122   9.753
  152    HB3  GLU  20           HB1      GLU  20  14.178   8.194   8.512
  153    HG2  GLU  20           HG2      GLU  20  13.582  10.394   9.436
  154    HG3  GLU  20           HG1      GLU  20  13.341  10.276   7.699
  155    H    THR  21           HN       THR  21  12.400   6.748   5.509
  156    HA   THR  21           HA       THR  21  14.251   4.620   6.170
  157    HB   THR  21           HB       THR  21  12.005   3.558   6.171
  158    HG1  THR  21           HG1      THR  21  12.454   1.923   4.812
  159   HG21  THR  21          HG21      THR  21  10.792   5.170   4.777
  160   HG22  THR  21          HG22      THR  21  10.586   3.536   4.149
  161   HG23  THR  21          HG23      THR  21  11.705   4.649   3.361
  162    H    ASP  22           HN       ASP  22  14.127   3.671   3.436
  163    HA   ASP  22           HA       ASP  22  14.975   6.075   1.977
  164    HB2  ASP  22           HB2      ASP  22  16.987   4.773   2.448
  165    HB3  ASP  22           HB1      ASP  22  16.237   3.332   1.760
  166    H    GLY  23           HN       GLY  23  13.880   6.448   0.257
  167    HA2  GLY  23           HA2      GLY  23  11.927   4.502  -0.637
  168    HA3  GLY  23           HA1      GLY  23  12.065   6.175  -1.171
  169    H    THR  24           HN       THR  24  13.920   3.212  -1.217
  170    HA   THR  24           HA       THR  24  15.519   3.830  -3.396
  171    HB   THR  24           HB       THR  24  16.154   2.191  -1.777
  172    HG1  THR  24           HG1      THR  24  16.654   1.938  -4.170
  173   HG21  THR  24          HG21      THR  24  13.891   0.446  -2.763
  174   HG22  THR  24          HG22      THR  24  14.019   1.204  -1.177
  175   HG23  THR  24          HG23      THR  24  15.147  -0.071  -1.638
  176    H    ASP  25           HN       ASP  25  14.489   4.585  -5.087
  177    HA   ASP  25           HA       ASP  25  13.415   4.701  -7.088
  178    HB2  ASP  25           HB2      ASP  25  13.487   1.668  -6.925
  179    HB3  ASP  25           HB1      ASP  25  12.929   2.553  -8.339
  180    H    LEU  26           HN       LEU  26  12.050   4.648  -4.585
  181    HA   LEU  26           HA       LEU  26   9.487   3.351  -4.870
  182    HB2  LEU  26           HB2      LEU  26  10.803   4.091  -2.742
  183    HB3  LEU  26           HB1      LEU  26  10.071   5.651  -3.043
  184    HG   LEU  26           HG       LEU  26   7.831   4.485  -2.931
  185   HD11  LEU  26          HD11      LEU  26   8.599   2.229  -3.319
  186   HD12  LEU  26          HD12      LEU  26   7.822   2.323  -1.731
  187   HD13  LEU  26          HD13      LEU  26   9.585   2.292  -1.863
  188   HD21  LEU  26          HD21      LEU  26   9.588   4.446  -0.477
  189   HD22  LEU  26          HD22      LEU  26   7.823   4.440  -0.480
  190   HD23  LEU  26          HD23      LEU  26   8.701   5.842  -1.093
  191    H    SER  27           HN       SER  27  10.842   6.511  -5.460
  192    HA   SER  27           HA       SER  27   8.540   8.023  -5.800
  193    HB2  SER  27           HB2      SER  27  11.208   8.313  -7.169
  194    HB3  SER  27           HB1      SER  27  10.031   9.594  -6.849
  195    HG   SER  27           HG       SER  27  10.330   9.201  -4.610
  196    H    GLY  28           HN       GLY  28   7.200   8.283  -7.491
  197    HA2  GLY  28           HA2      GLY  28   6.403   8.105  -9.677
  198    HA3  GLY  28           HA1      GLY  28   7.829   7.156 -10.090
  199    H    ASP  29           HN       ASP  29   7.017   5.349 -10.895
  200    HA   ASP  29           HA       ASP  29   4.898   4.013  -9.393
  201    HB2  ASP  29           HB2      ASP  29   5.784   3.701 -12.249
  202    HB3  ASP  29           HB1      ASP  29   4.806   2.481 -11.449
  203    H    PHE  30           HN       PHE  30   5.839   2.991  -7.847
  204    HA   PHE  30           HA       PHE  30   8.184   1.354  -8.387
  205    HB2  PHE  30           HB2      PHE  30   8.393   1.131  -5.984
  206    HB3  PHE  30           HB1      PHE  30   8.112   2.822  -6.358
  207    HD1  PHE  30           HD1      PHE  30   5.667   3.680  -6.084
  208    HD2  PHE  30           HD2      PHE  30   7.092   0.028  -4.427
  209    HE1  PHE  30           HE1      PHE  30   3.804   3.677  -4.480
  210    HE2  PHE  30           HE2      PHE  30   5.241   0.013  -2.830
  211    HZ   PHE  30           HZ       PHE  30   3.581   1.845  -2.855
  212    H    LEU  31           HN       LEU  31   5.241   0.850  -9.122
  213    HA   LEU  31           HA       LEU  31   4.094  -1.162  -7.644
  214    HB2  LEU  31           HB2      LEU  31   3.814  -0.714 -10.591
  215    HB3  LEU  31           HB1      LEU  31   2.796  -1.776  -9.647
  216    HG   LEU  31           HG       LEU  31   2.976   1.224  -9.437
  217   HD11  LEU  31          HD11      LEU  31   0.761  -0.646 -10.179
  218   HD12  LEU  31          HD12      LEU  31   1.664   0.382 -11.303
  219   HD13  LEU  31          HD13      LEU  31   0.625   1.106 -10.064
  220   HD21  LEU  31          HD21      LEU  31   1.370  -0.698  -7.750
  221   HD22  LEU  31          HD22      LEU  31   1.242   1.061  -7.721
  222   HD23  LEU  31          HD23      LEU  31   2.734   0.276  -7.197
  223    H    ASP  32           HN       ASP  32   6.797  -1.616  -9.770
  224    HA   ASP  32           HA       ASP  32   6.338  -4.504  -9.750
  225    HB2  ASP  32           HB2      ASP  32   7.008  -3.454 -11.901
  226    HB3  ASP  32           HB1      ASP  32   8.527  -2.953 -11.166
  227    H    LEU  33           HN       LEU  33   7.856  -2.258  -7.812
  228    HA   LEU  33           HA       LEU  33  10.122  -3.877  -7.068
  229    HB2  LEU  33           HB2      LEU  33   8.975  -1.319  -5.944
  230    HB3  LEU  33           HB1      LEU  33  10.233  -2.196  -5.113
  231    HG   LEU  33           HG       LEU  33  11.203  -0.351  -6.254
  232   HD11  LEU  33          HD11      LEU  33  11.848  -2.885  -7.713
  233   HD12  LEU  33          HD12      LEU  33  12.544  -2.319  -6.194
  234   HD13  LEU  33          HD13      LEU  33  12.840  -1.426  -7.686
  235   HD21  LEU  33          HD21      LEU  33   9.521   0.070  -7.942
  236   HD22  LEU  33          HD22      LEU  33   9.968  -1.409  -8.791
  237   HD23  LEU  33          HD23      LEU  33  11.112  -0.069  -8.689
  238    H    ARG  34           HN       ARG  34  10.107  -5.414  -5.662
  239    HA   ARG  34           HA       ARG  34   7.629  -6.157  -4.390
  240    HB2  ARG  34           HB2      ARG  34  10.407  -7.317  -4.071
  241    HB3  ARG  34           HB1      ARG  34   8.930  -8.037  -3.461
  242    HG2  ARG  34           HG2      ARG  34   8.136  -8.298  -5.791
  243    HG3  ARG  34           HG1      ARG  34   9.677  -7.654  -6.359
  244    HD2  ARG  34           HD2      ARG  34   9.664 -10.100  -6.405
  245    HD3  ARG  34           HD1      ARG  34  10.859  -9.495  -5.250
  246    HE   ARG  34           HE       ARG  34   8.202 -10.174  -4.257
  247   HH11  ARG  34          HH11      ARG  34  11.588 -11.280  -4.562
  248   HH12  ARG  34          HH12      ARG  34  11.465 -12.306  -3.202
  249   HH21  ARG  34          HH21      ARG  34   8.131 -11.529  -2.429
  250   HH22  ARG  34          HH22      ARG  34   9.468 -12.459  -1.942
  251    H    PHE  35           HN       PHE  35   7.167  -5.989  -2.196
  252    HA   PHE  35           HA       PHE  35   8.321  -3.830  -0.835
  253    HB2  PHE  35           HB2      PHE  35   6.734  -6.078   0.444
  254    HB3  PHE  35           HB1      PHE  35   7.019  -4.461   1.087
  255    HD1  PHE  35           HD1      PHE  35   6.131  -2.475  -0.289
  256    HD2  PHE  35           HD2      PHE  35   4.857  -6.493  -0.778
  257    HE1  PHE  35           HE1      PHE  35   4.037  -1.692  -1.342
  258    HE2  PHE  35           HE2      PHE  35   2.787  -5.719  -1.822
  259    HZ   PHE  35           HZ       PHE  35   2.364  -3.359  -2.108
  260    H    GLU  36           HN       GLU  36   8.851  -7.303  -0.533
  261    HA   GLU  36           HA       GLU  36  10.648  -7.314   1.598
  262    HB2  GLU  36           HB2      GLU  36   9.629  -9.334   0.592
  263    HB3  GLU  36           HB1      GLU  36  10.634  -9.121  -0.830
  264    HG2  GLU  36           HG2      GLU  36  11.508 -10.855   0.642
  265    HG3  GLU  36           HG1      GLU  36  12.633  -9.504   0.503
  266    H    ASP  37           HN       ASP  37  11.104  -6.289  -1.661
  267    HA   ASP  37           HA       ASP  37  13.997  -6.435  -1.589
  268    HB2  ASP  37           HB2      ASP  37  12.836  -6.951  -3.658
  269    HB3  ASP  37           HB1      ASP  37  12.070  -5.373  -3.653
  270    H    ILE  38           HN       ILE  38  11.465  -4.047  -1.282
  271    HA   ILE  38           HA       ILE  38  13.438  -1.917  -1.156
  272    HB   ILE  38           HB       ILE  38  11.505  -0.345  -1.001
  273   HG12  ILE  38          HG12      ILE  38   9.861  -2.855  -1.448
  274   HG13  ILE  38          HG11      ILE  38   9.872  -1.881   0.016
  275   HG21  ILE  38          HG21      ILE  38  12.546  -0.812  -3.128
  276   HG22  ILE  38          HG22      ILE  38  10.807  -0.605  -3.339
  277   HG23  ILE  38          HG23      ILE  38  11.512  -2.223  -3.356
  278   HD11  ILE  38          HD11      ILE  38   7.890  -1.459  -1.322
  279   HD12  ILE  38          HD12      ILE  38   8.898  -0.993  -2.691
  280   HD13  ILE  38          HD13      ILE  38   8.902  -0.016  -1.221
  281    H    GLY  39           HN       GLY  39  12.861  -4.001   0.977
  282    HA2  GLY  39           HA2      GLY  39  13.417  -3.986   3.223
  283    HA3  GLY  39           HA1      GLY  39  13.522  -2.239   3.146
  284    H    TYR  40           HN       TYR  40  10.759  -4.322   2.404
  285    HA   TYR  40           HA       TYR  40   9.388  -3.184   4.729
  286    HB2  TYR  40           HB2      TYR  40   8.448  -3.468   1.905
  287    HB3  TYR  40           HB1      TYR  40   7.293  -3.577   3.217
  288    HD1  TYR  40           HD2      TYR  40  10.041  -1.397   2.002
  289    HD2  TYR  40           HD1      TYR  40   6.228  -1.595   3.863
  290    HE1  TYR  40           HE2      TYR  40   9.960   1.015   2.017
  291    HE2  TYR  40           HE1      TYR  40   6.106   0.856   3.893
  292    HH   TYR  40           HH       TYR  40   8.264   2.842   2.149
  293    H    ASP  41           HN       ASP  41   9.033  -4.762   6.120
  294    HA   ASP  41           HA       ASP  41   8.514  -7.476   5.189
  295    HB2  ASP  41           HB2      ASP  41   8.369  -6.289   7.950
  296    HB3  ASP  41           HB1      ASP  41   7.867  -7.900   7.582
  297    H    SER  42           HN       SER  42   6.586  -8.516   5.452
  298    HA   SER  42           HA       SER  42   4.340  -7.119   4.807
  299    HB2  SER  42           HB2      SER  42   3.134  -9.266   5.366
  300    HB3  SER  42           HB1      SER  42   4.529  -9.301   4.270
  301    HG   SER  42           HG       SER  42   5.603 -10.465   5.521
  302    H    LEU  43           HN       LEU  43   5.530  -7.783   8.045
  303    HA   LEU  43           HA       LEU  43   3.215  -7.108   9.486
  304    HB2  LEU  43           HB2      LEU  43   5.298  -8.164  10.399
  305    HB3  LEU  43           HB1      LEU  43   6.122  -6.641  10.224
  306    HG   LEU  43           HG       LEU  43   3.789  -7.062  12.123
  307   HD11  LEU  43          HD11      LEU  43   5.638  -8.548  12.686
  308   HD12  LEU  43          HD12      LEU  43   5.487  -7.248  13.868
  309   HD13  LEU  43          HD13      LEU  43   6.756  -7.186  12.646
  310   HD21  LEU  43          HD21      LEU  43   4.262  -4.702  11.549
  311   HD22  LEU  43          HD22      LEU  43   5.942  -4.931  12.031
  312   HD23  LEU  43          HD23      LEU  43   4.656  -5.056  13.231
  313    H    ALA  44           HN       ALA  44   6.008  -5.075   8.624
  314    HA   ALA  44           HA       ALA  44   4.923  -2.608   9.358
  315    HB1  ALA  44           HB1      ALA  44   6.680  -1.627   7.975
  316    HB2  ALA  44           HB2      ALA  44   6.964  -3.195   7.213
  317    HB3  ALA  44           HB3      ALA  44   7.306  -2.974   8.929
  318    H    LEU  45           HN       LEU  45   4.743  -4.410   6.378
  319    HA   LEU  45           HA       LEU  45   3.499  -2.474   4.772
  320    HB2  LEU  45           HB2      LEU  45   4.516  -4.454   3.851
  321    HB3  LEU  45           HB1      LEU  45   3.373  -5.477   4.694
  322    HG   LEU  45           HG       LEU  45   1.558  -4.595   3.293
  323   HD11  LEU  45          HD11      LEU  45   2.491  -2.389   2.827
  324   HD12  LEU  45          HD12      LEU  45   2.094  -3.244   1.333
  325   HD13  LEU  45          HD13      LEU  45   3.771  -3.131   1.866
  326   HD21  LEU  45          HD21      LEU  45   3.930  -5.622   1.789
  327   HD22  LEU  45          HD22      LEU  45   2.256  -5.692   1.236
  328   HD23  LEU  45          HD23      LEU  45   2.760  -6.611   2.664
  329    H    MET  46           HN       MET  46   2.132  -4.969   6.900
  330    HA   MET  46           HA       MET  46  -0.526  -4.324   6.297
  331    HB2  MET  46           HB2      MET  46   0.589  -5.713   8.744
  332    HB3  MET  46           HB1      MET  46  -1.133  -5.476   8.412
  333    HG2  MET  46           HG2      MET  46  -0.994  -6.759   6.396
  334    HG3  MET  46           HG1      MET  46   0.749  -6.916   6.567
  335    HE1  MET  46           HE1      MET  46   1.104  -9.332   9.586
  336    HE2  MET  46           HE2      MET  46   1.176  -7.569   9.592
  337    HE3  MET  46           HE3      MET  46   1.935  -8.481   8.285
  338    H    GLU  47           HN       GLU  47   1.708  -2.910   8.556
  339    HA   GLU  47           HA       GLU  47  -0.100  -1.216   9.938
  340    HB2  GLU  47           HB2      GLU  47   2.211  -1.519  10.681
  341    HB3  GLU  47           HB1      GLU  47   2.815  -0.824   9.190
  342    HG2  GLU  47           HG2      GLU  47   3.072   0.794  10.909
  343    HG3  GLU  47           HG1      GLU  47   1.778   1.338   9.851
  344    H    THR  48           HN       THR  48   1.342  -1.092   6.850
  345    HA   THR  48           HA       THR  48   0.898   1.642   6.143
  346    HB   THR  48           HB       THR  48   1.197  -0.798   4.353
  347    HG1  THR  48           HG1      THR  48   2.913   0.407   6.028
  348   HG21  THR  48          HG21      THR  48   0.397   1.202   3.171
  349   HG22  THR  48          HG22      THR  48   2.056   0.817   2.700
  350   HG23  THR  48          HG23      THR  48   1.740   2.133   3.829
  351    H    ALA  49           HN       ALA  49  -0.597  -1.419   5.237
  352    HA   ALA  49           HA       ALA  49  -2.918  -0.471   4.039
  353    HB1  ALA  49           HB1      ALA  49  -2.513  -3.023   5.604
  354    HB2  ALA  49           HB2      ALA  49  -2.159  -2.799   3.888
  355    HB3  ALA  49           HB3      ALA  49  -3.824  -2.706   4.466
  356    H    ALA  50           HN       ALA  50  -2.184  -1.169   7.432
  357    HA   ALA  50           HA       ALA  50  -4.630  -0.901   8.470
  358    HB1  ALA  50           HB1      ALA  50  -2.771  -1.771   9.741
  359    HB2  ALA  50           HB2      ALA  50  -3.573  -0.471  10.631
  360    HB3  ALA  50           HB3      ALA  50  -2.045  -0.163   9.805
  361    H    ARG  51           HN       ARG  51  -2.162   1.542   7.997
  362    HA   ARG  51           HA       ARG  51  -3.578   3.732   9.052
  363    HB2  ARG  51           HB2      ARG  51  -1.386   3.697   6.964
  364    HB3  ARG  51           HB1      ARG  51  -1.946   5.131   7.815
  365    HG2  ARG  51           HG2      ARG  51  -1.224   4.168   9.937
  366    HG3  ARG  51           HG1      ARG  51  -0.679   2.719   9.096
  367    HD2  ARG  51           HD2      ARG  51   0.886   4.125   7.795
  368    HD3  ARG  51           HD1      ARG  51   0.375   5.513   8.751
  369    HE   ARG  51           HE       ARG  51   1.718   3.143   9.855
  370   HH11  ARG  51          HH11      ARG  51   1.055   6.622   9.909
  371   HH12  ARG  51          HH12      ARG  51   2.171   6.971  11.143
  372   HH21  ARG  51          HH21      ARG  51   3.411   3.674  11.516
  373   HH22  ARG  51          HH22      ARG  51   3.553   5.289  12.017
  374    H    LEU  52           HN       LEU  52  -3.425   2.320   5.835
  375    HA   LEU  52           HA       LEU  52  -5.030   4.229   4.547
  376    HB2  LEU  52           HB2      LEU  52  -4.396   1.356   3.952
  377    HB3  LEU  52           HB1      LEU  52  -5.423   2.313   2.911
  378    HG   LEU  52           HG       LEU  52  -2.563   3.016   3.581
  379   HD11  LEU  52          HD11      LEU  52  -2.677   0.961   2.269
  380   HD12  LEU  52          HD12      LEU  52  -2.053   2.300   1.307
  381   HD13  LEU  52          HD13      LEU  52  -3.721   1.765   1.097
  382   HD21  LEU  52          HD21      LEU  52  -3.961   4.943   3.022
  383   HD22  LEU  52          HD22      LEU  52  -4.490   4.141   1.544
  384   HD23  LEU  52          HD23      LEU  52  -2.802   4.609   1.735
  385    H    GLU  53           HN       GLU  53  -5.801   1.241   6.264
  386    HA   GLU  53           HA       GLU  53  -8.544   1.122   5.844
  387    HB2  GLU  53           HB2      GLU  53  -7.036   0.478   8.386
  388    HB3  GLU  53           HB1      GLU  53  -8.708   0.059   8.093
  389    HG2  GLU  53           HG2      GLU  53  -7.928  -1.332   6.173
  390    HG3  GLU  53           HG1      GLU  53  -6.274  -1.007   6.703
  391    H    SER  54           HN       SER  54  -6.787   2.666   8.486
  392    HA   SER  54           HA       SER  54  -9.011   3.887   9.673
  393    HB2  SER  54           HB2      SER  54  -6.127   4.775   9.735
  394    HB3  SER  54           HB1      SER  54  -7.380   5.225  10.898
  395    HG   SER  54           HG       SER  54  -6.090   3.487  11.622
  396    H    ARG  55           HN       ARG  55  -6.802   5.084   7.210
  397    HA   ARG  55           HA       ARG  55  -7.740   7.731   7.164
  398    HB2  ARG  55           HB2      ARG  55  -5.541   7.051   6.323
  399    HB3  ARG  55           HB1      ARG  55  -6.302   6.139   5.036
  400    HG2  ARG  55           HG2      ARG  55  -7.081   8.188   4.008
  401    HG3  ARG  55           HG1      ARG  55  -6.441   9.137   5.355
  402    HD2  ARG  55           HD2      ARG  55  -4.179   8.454   4.832
  403    HD3  ARG  55           HD1      ARG  55  -4.763   7.362   3.577
  404    HE   ARG  55           HE       ARG  55  -5.294  10.229   3.347
  405   HH11  ARG  55          HH11      ARG  55  -3.175   7.564   2.373
  406   HH12  ARG  55          HH12      ARG  55  -3.070   8.062   0.733
  407   HH21  ARG  55          HH21      ARG  55  -4.898  11.048   1.077
  408   HH22  ARG  55          HH22      ARG  55  -3.969  10.057   0.030
  409    H    TYR  56           HN       TYR  56  -8.601   4.939   5.083
  410    HA   TYR  56           HA       TYR  56 -10.579   6.641   3.763
  411    HB2  TYR  56           HB2      TYR  56  -9.378   4.017   2.941
  412    HB3  TYR  56           HB1      TYR  56 -10.738   4.751   2.095
  413    HD1  TYR  56           HD1      TYR  56 -10.454   6.840   0.884
  414    HD2  TYR  56           HD2      TYR  56  -7.151   4.922   2.744
  415    HE1  TYR  56           HE1      TYR  56  -8.922   8.247  -0.410
  416    HE2  TYR  56           HE2      TYR  56  -5.603   6.322   1.445
  417    HH   TYR  56           HH       TYR  56  -5.498   7.706  -0.501
  418    H    GLY  57           HN       GLY  57 -10.613   4.279   6.192
  419    HA2  GLY  57           HA2      GLY  57 -12.429   3.455   7.331
  420    HA3  GLY  57           HA1      GLY  57 -13.485   4.322   6.219
  421    H    VAL  58           HN       VAL  58 -11.089   1.751   5.899
  422    HA   VAL  58           HA       VAL  58 -13.097   0.049   4.637
  423    HB   VAL  58           HB       VAL  58 -11.866   1.175   2.807
  424   HG11  VAL  58          HG11      VAL  58  -9.367  -0.004   3.995
  425   HG12  VAL  58          HG12      VAL  58  -9.787   1.706   3.904
  426   HG13  VAL  58          HG13      VAL  58  -9.474   0.796   2.425
  427   HG21  VAL  58          HG21      VAL  58 -11.121  -1.738   3.075
  428   HG22  VAL  58          HG22      VAL  58 -11.087  -0.811   1.576
  429   HG23  VAL  58          HG23      VAL  58 -12.620  -1.095   2.399
  430    H    SER  59           HN       SER  59 -12.859  -2.081   5.205
  431    HA   SER  59           HA       SER  59 -10.814  -2.624   7.214
  432    HB2  SER  59           HB2      SER  59 -13.267  -4.218   6.459
  433    HB3  SER  59           HB1      SER  59 -12.241  -4.470   7.877
  434    HG   SER  59           HG       SER  59 -12.788  -2.221   8.409
  435    H    ILE  60           HN       ILE  60  -9.007  -3.571   6.551
  436    HA   ILE  60           HA       ILE  60  -9.027  -5.306   4.172
  437    HB   ILE  60           HB       ILE  60  -6.679  -3.985   5.574
  438   HG12  ILE  60          HG12      ILE  60  -7.975  -3.252   2.934
  439   HG13  ILE  60          HG11      ILE  60  -8.193  -2.364   4.440
  440   HG21  ILE  60          HG21      ILE  60  -5.384  -4.651   3.587
  441   HG22  ILE  60          HG22      ILE  60  -6.799  -5.491   2.954
  442   HG23  ILE  60          HG23      ILE  60  -6.035  -6.050   4.443
  443   HD11  ILE  60          HD11      ILE  60  -5.805  -1.862   4.477
  444   HD12  ILE  60          HD12      ILE  60  -6.568  -1.272   2.997
  445   HD13  ILE  60          HD13      ILE  60  -5.599  -2.749   2.972
  446    HA   PRO  61           HA       PRO  61  -8.511  -8.692   7.137
  447    HB2  PRO  61           HB2      PRO  61  -8.032 -10.289   4.701
  448    HB3  PRO  61           HB1      PRO  61  -9.281 -10.479   5.935
  449    HG2  PRO  61           HG2      PRO  61  -9.883  -9.580   3.486
  450    HG3  PRO  61           HG1      PRO  61 -10.697  -8.946   4.927
  451    HD2  PRO  61           HD2      PRO  61  -8.452  -7.749   3.342
  452    HD3  PRO  61           HD1      PRO  61  -9.908  -6.960   3.990
  453    H    ASP  62           HN       ASP  62  -6.765  -9.348   8.121
  454    HA   ASP  62           HA       ASP  62  -4.179  -8.491   7.589
  455    HB2  ASP  62           HB2      ASP  62  -5.074 -10.755   9.369
  456    HB3  ASP  62           HB1      ASP  62  -3.401 -10.226   9.252
  457    H    ASP  63           HN       ASP  63  -5.567 -11.630   6.761
  458    HA   ASP  63           HA       ASP  63  -3.076 -12.810   6.010
  459    HB2  ASP  63           HB2      ASP  63  -5.883 -13.566   5.165
  460    HB3  ASP  63           HB1      ASP  63  -4.452 -14.469   4.699
  461    H    VAL  64           HN       VAL  64  -5.473 -11.008   4.309
  462    HA   VAL  64           HA       VAL  64  -4.329 -11.442   1.711
  463    HB   VAL  64           HB       VAL  64  -6.283  -9.280   2.564
  464   HG11  VAL  64          HG11      VAL  64  -5.730 -10.493  -0.138
  465   HG12  VAL  64          HG12      VAL  64  -5.261  -8.879   0.394
  466   HG13  VAL  64          HG13      VAL  64  -6.966  -9.286   0.219
  467   HG21  VAL  64          HG21      VAL  64  -7.168 -11.462   3.177
  468   HG22  VAL  64          HG22      VAL  64  -6.862 -12.060   1.545
  469   HG23  VAL  64          HG23      VAL  64  -8.064 -10.798   1.810
  470    H    ALA  65           HN       ALA  65  -4.324  -8.881   4.138
  471    HA   ALA  65           HA       ALA  65  -2.812  -6.960   2.799
  472    HB1  ALA  65           HB1      ALA  65  -2.374  -6.023   5.009
  473    HB2  ALA  65           HB2      ALA  65  -2.916  -7.530   5.761
  474    HB3  ALA  65           HB3      ALA  65  -4.056  -6.534   4.863
  475    H    GLY  66           HN       GLY  66  -1.812  -9.825   4.554
  476    HA2  GLY  66           HA2      GLY  66   1.011  -9.139   4.148
  477    HA3  GLY  66           HA1      GLY  66   0.400 -10.477   5.111
  478    H    ARG  67           HN       ARG  67  -1.187 -10.285   2.178
  479    HA   ARG  67           HA       ARG  67   0.379 -12.519   1.108
  480    HB2  ARG  67           HB2      ARG  67  -1.976 -13.024   1.402
  481    HB3  ARG  67           HB1      ARG  67  -2.447 -11.572   0.535
  482    HG2  ARG  67           HG2      ARG  67  -2.777 -13.545  -0.833
  483    HG3  ARG  67           HG1      ARG  67  -1.527 -12.510  -1.528
  484    HD2  ARG  67           HD2      ARG  67   0.124 -14.003  -0.254
  485    HD3  ARG  67           HD1      ARG  67  -1.233 -15.122  -0.089
  486    HE   ARG  67           HE       ARG  67  -1.305 -14.725  -2.682
  487   HH11  ARG  67          HH11      ARG  67   1.437 -15.483  -0.586
  488   HH12  ARG  67          HH12      ARG  67   2.467 -15.958  -1.842
  489   HH21  ARG  67          HH21      ARG  67   0.060 -15.401  -4.404
  490   HH22  ARG  67          HH22      ARG  67   1.658 -15.930  -4.095
  491    H    VAL  68           HN       VAL  68  -0.415  -9.244   0.554
  492    HA   VAL  68           HA       VAL  68   0.100  -9.254  -2.258
  493    HB   VAL  68           HB       VAL  68  -0.044  -6.740  -2.036
  494   HG11  VAL  68          HG11      VAL  68  -2.007  -8.095  -2.536
  495   HG12  VAL  68          HG12      VAL  68  -2.443  -6.735  -1.501
  496   HG13  VAL  68          HG13      VAL  68  -2.284  -8.351  -0.812
  497   HG21  VAL  68          HG21      VAL  68  -0.676  -7.382   0.855
  498   HG22  VAL  68          HG22      VAL  68  -0.805  -5.793   0.088
  499   HG23  VAL  68          HG23      VAL  68   0.773  -6.558   0.283
  500    H    ASP  69           HN       ASP  69   2.013  -9.731  -2.923
  501    HA   ASP  69           HA       ASP  69   4.432  -9.024  -1.440
  502    HB2  ASP  69           HB2      ASP  69   4.142 -11.290  -2.438
  503    HB3  ASP  69           HB1      ASP  69   4.085 -10.542  -4.018
  504    H    THR  70           HN       THR  70   2.784  -8.067  -4.310
  505    HA   THR  70           HA       THR  70   4.895  -6.111  -4.698
  506    HB   THR  70           HB       THR  70   4.327  -6.191  -7.169
  507    HG1  THR  70           HG1      THR  70   3.068  -8.639  -6.438
  508   HG21  THR  70          HG21      THR  70   5.337  -8.710  -5.854
  509   HG22  THR  70          HG22      THR  70   6.315  -7.316  -6.345
  510   HG23  THR  70          HG23      THR  70   5.536  -8.331  -7.569
  511    HA   PRO  71           HA       PRO  71   2.062  -2.894  -3.944
  512    HB2  PRO  71           HB2      PRO  71   3.149  -1.614  -6.394
  513    HB3  PRO  71           HB1      PRO  71   3.009  -0.978  -4.748
  514    HG2  PRO  71           HG2      PRO  71   5.357  -1.762  -5.659
  515    HG3  PRO  71           HG1      PRO  71   4.866  -2.142  -3.997
  516    HD2  PRO  71           HD2      PRO  71   4.919  -3.897  -6.409
  517    HD3  PRO  71           HD1      PRO  71   5.362  -4.274  -4.731
  518    H    ARG  72           HN       ARG  72   2.238  -3.794  -7.360
  519    HA   ARG  72           HA       ARG  72  -0.138  -2.649  -8.213
  520    HB2  ARG  72           HB2      ARG  72  -0.153  -4.254 -10.048
  521    HB3  ARG  72           HB1      ARG  72   1.482  -3.679  -9.754
  522    HG2  ARG  72           HG2      ARG  72   1.984  -5.744  -8.550
  523    HG3  ARG  72           HG1      ARG  72   0.346  -6.315  -8.856
  524    HD2  ARG  72           HD2      ARG  72   1.799  -7.317 -10.433
  525    HD3  ARG  72           HD1      ARG  72   0.809  -6.132 -11.284
  526    HE   ARG  72           HE       ARG  72   2.711  -4.657 -11.314
  527   HH11  ARG  72          HH11      ARG  72   3.430  -8.021 -10.391
  528   HH12  ARG  72          HH12      ARG  72   5.013  -8.002 -10.971
  529   HH21  ARG  72          HH21      ARG  72   4.890  -4.588 -12.049
  530   HH22  ARG  72          HH22      ARG  72   5.925  -5.927 -11.873
  531    H    GLU  73           HN       GLU  73   0.323  -5.717  -6.529
  532    HA   GLU  73           HA       GLU  73  -2.268  -6.806  -6.823
  533    HB2  GLU  73           HB2      GLU  73  -0.290  -7.166  -4.568
  534    HB3  GLU  73           HB1      GLU  73  -1.645  -8.218  -4.930
  535    HG2  GLU  73           HG2      GLU  73   0.714  -7.759  -6.735
  536    HG3  GLU  73           HG1      GLU  73   0.539  -9.114  -5.626
  537    H    LEU  74           HN       LEU  74  -0.705  -5.005  -4.241
  538    HA   LEU  74           HA       LEU  74  -2.932  -4.899  -2.506
  539    HB2  LEU  74           HB2      LEU  74  -0.581  -4.766  -1.756
  540    HB3  LEU  74           HB1      LEU  74  -0.398  -3.234  -2.565
  541    HG   LEU  74           HG       LEU  74  -0.594  -3.179  -0.024
  542   HD11  LEU  74          HD11      LEU  74  -2.572  -1.544  -1.559
  543   HD12  LEU  74          HD12      LEU  74  -0.866  -1.176  -1.318
  544   HD13  LEU  74          HD13      LEU  74  -1.967  -1.198   0.061
  545   HD21  LEU  74          HD21      LEU  74  -2.833  -3.292   0.940
  546   HD22  LEU  74          HD22      LEU  74  -2.361  -4.837   0.231
  547   HD23  LEU  74          HD23      LEU  74  -3.484  -3.779  -0.625
  548    H    LEU  75           HN       LEU  75  -1.597  -2.665  -4.883
  549    HA   LEU  75           HA       LEU  75  -3.228  -0.474  -4.425
  550    HB2  LEU  75           HB2      LEU  75  -1.276  -0.517  -5.961
  551    HB3  LEU  75           HB1      LEU  75  -2.202  -1.493  -7.082
  552    HG   LEU  75           HG       LEU  75  -3.793   0.374  -7.362
  553   HD11  LEU  75          HD11      LEU  75  -1.842   1.907  -5.658
  554   HD12  LEU  75          HD12      LEU  75  -3.471   1.427  -5.193
  555   HD13  LEU  75          HD13      LEU  75  -3.235   2.576  -6.509
  556   HD21  LEU  75          HD21      LEU  75  -0.909   1.089  -7.871
  557   HD22  LEU  75          HD22      LEU  75  -2.307   1.809  -8.667
  558   HD23  LEU  75          HD23      LEU  75  -1.931   0.104  -8.917
  559    H    ASP  76           HN       ASP  76  -3.657  -3.108  -6.774
  560    HA   ASP  76           HA       ASP  76  -6.207  -2.415  -7.672
  561    HB2  ASP  76           HB2      ASP  76  -4.840  -4.023  -8.865
  562    HB3  ASP  76           HB1      ASP  76  -4.922  -5.145  -7.511
  563    H    LEU  77           HN       LEU  77  -5.211  -4.374  -4.965
  564    HA   LEU  77           HA       LEU  77  -7.654  -5.498  -4.212
  565    HB2  LEU  77           HB2      LEU  77  -5.543  -6.212  -3.271
  566    HB3  LEU  77           HB1      LEU  77  -5.294  -4.641  -2.545
  567    HG   LEU  77           HG       LEU  77  -7.295  -5.062  -1.115
  568   HD11  LEU  77          HD11      LEU  77  -8.414  -6.716  -2.480
  569   HD12  LEU  77          HD12      LEU  77  -8.090  -7.354  -0.868
  570   HD13  LEU  77          HD13      LEU  77  -7.085  -7.848  -2.231
  571   HD21  LEU  77          HD21      LEU  77  -5.037  -5.372  -0.276
  572   HD22  LEU  77          HD22      LEU  77  -5.017  -7.022  -0.891
  573   HD23  LEU  77          HD23      LEU  77  -6.124  -6.579   0.409
  574    H    ILE  78           HN       ILE  78  -6.081  -2.529  -3.047
  575    HA   ILE  78           HA       ILE  78  -8.415  -1.873  -1.546
  576    HB   ILE  78           HB       ILE  78  -6.003  -0.082  -2.063
  577   HG12  ILE  78          HG12      ILE  78  -6.582  -1.977   0.227
  578   HG13  ILE  78          HG11      ILE  78  -5.391  -2.236  -1.038
  579   HG21  ILE  78          HG21      ILE  78  -6.740   1.082  -0.022
  580   HG22  ILE  78          HG22      ILE  78  -8.107  -0.015   0.122
  581   HG23  ILE  78          HG23      ILE  78  -8.034   1.114  -1.222
  582   HD11  ILE  78          HD11      ILE  78  -4.338  -1.492   1.002
  583   HD12  ILE  78          HD12      ILE  78  -5.344  -0.042   1.022
  584   HD13  ILE  78          HD13      ILE  78  -4.151  -0.283  -0.262
  585    H    ASN  79           HN       ASN  79  -7.311  -1.226  -4.730
  586    HA   ASN  79           HA       ASN  79  -9.023   0.965  -5.321
  587    HB2  ASN  79           HB2      ASN  79  -8.014  -1.238  -7.161
  588    HB3  ASN  79           HB1      ASN  79  -8.958   0.129  -7.718
  589   HD21  ASN  79          HD21      ASN  79  -7.518   1.948  -5.868
  590   HD22  ASN  79          HD22      ASN  79  -5.983   2.219  -6.621
  591    H    GLY  80           HN       GLY  80  -9.430  -2.519  -5.700
  592    HA2  GLY  80           HA2      GLY  80 -12.105  -2.448  -6.547
  593    HA3  GLY  80           HA1      GLY  80 -11.289  -3.833  -5.828
  594    H    ALA  81           HN       ALA  81 -10.645  -2.666  -3.360
  595    HA   ALA  81           HA       ALA  81 -13.046  -3.090  -1.936
  596    HB1  ALA  81           HB1      ALA  81 -10.472  -1.854  -0.952
  597    HB2  ALA  81           HB2      ALA  81 -10.834  -3.580  -0.986
  598    HB3  ALA  81           HB3      ALA  81 -11.763  -2.504   0.055
  599    H    LEU  82           HN       LEU  82 -11.301  -0.148  -2.835
  600    HA   LEU  82           HA       LEU  82 -13.054   1.591  -1.445
  601    HB2  LEU  82           HB2      LEU  82 -10.769   1.867  -3.265
  602    HB3  LEU  82           HB1      LEU  82 -11.901   3.191  -3.367
  603    HG   LEU  82           HG       LEU  82 -11.546   3.751  -1.028
  604   HD11  LEU  82          HD11      LEU  82 -11.402   1.529  -0.092
  605   HD12  LEU  82          HD12      LEU  82 -10.043   2.531   0.413
  606   HD13  LEU  82          HD13      LEU  82  -9.820   1.306  -0.837
  607   HD21  LEU  82          HD21      LEU  82  -9.904   4.611  -2.598
  608   HD22  LEU  82          HD22      LEU  82  -8.923   3.161  -2.384
  609   HD23  LEU  82          HD23      LEU  82  -9.163   4.271  -1.034
  610    H    ALA  83           HN       ALA  83 -12.947   0.446  -4.783
  611    HA   ALA  83           HA       ALA  83 -15.117   1.980  -5.725
  612    HB1  ALA  83           HB1      ALA  83 -15.299   0.305  -7.511
  613    HB2  ALA  83           HB2      ALA  83 -14.251  -0.784  -6.602
  614    HB3  ALA  83           HB3      ALA  83 -13.612   0.739  -7.223
  615    H    GLU  84           HN       GLU  84 -14.937  -1.004  -3.948
  616    HA   GLU  84           HA       GLU  84 -17.727  -1.647  -4.093
  617    HB2  GLU  84           HB2      GLU  84 -15.935  -3.336  -3.831
  618    HB3  GLU  84           HB1      GLU  84 -15.531  -2.653  -2.269
  619    HG2  GLU  84           HG2      GLU  84 -16.806  -4.706  -2.058
  620    HG3  GLU  84           HG1      GLU  84 -17.695  -3.331  -1.399
  621    H    ALA  85           HN       ALA  85 -15.779   0.431  -2.191
  622    HA   ALA  85           HA       ALA  85 -17.389   0.377   0.175
  623    HB1  ALA  85           HB1      ALA  85 -15.928   2.129   0.995
  624    HB2  ALA  85           HB2      ALA  85 -15.229   2.324  -0.612
  625    HB3  ALA  85           HB3      ALA  85 -14.981   0.823   0.278
  626    H    ALA  86           HN       ALA  86 -17.634   1.978  -2.797
  627    HA   ALA  86           HA       ALA  86 -19.717   3.664  -1.648
  628    HB1  ALA  86           HB1      ALA  86 -17.703   4.558  -3.720
  629    HB2  ALA  86           HB2      ALA  86 -17.755   5.085  -2.036
  630    HB3  ALA  86           HB3      ALA  86 -19.069   5.507  -3.132
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  -4.754  12.411  -3.889
    2    H2   MET   1           HT2      MET   1  -4.453  11.508  -5.262
    3    H3   MET   1           HT3      MET   1  -4.509  10.744  -3.761
    4    HA   MET   1           HA       MET   1  -6.749  12.038  -5.243
    5    HB2  MET   1           HB2      MET   1  -6.373   9.175  -4.310
    6    HB3  MET   1           HB1      MET   1  -7.759   9.791  -5.190
    7    HG2  MET   1           HG2      MET   1  -4.940   9.640  -6.235
    8    HG3  MET   1           HG1      MET   1  -6.232   8.501  -6.598
    9    HE1  MET   1           HE1      MET   1  -8.764  10.283  -7.028
   10    HE2  MET   1           HE2      MET   1  -8.275   9.014  -8.152
   11    HE3  MET   1           HE3      MET   1  -8.671  10.623  -8.756
   12    H    ALA   2           HN       ALA   2  -8.775  12.035  -4.133
   13    HA   ALA   2           HA       ALA   2  -8.564  12.572  -1.339
   14    HB1  ALA   2           HB1      ALA   2 -10.986  12.954  -1.439
   15    HB2  ALA   2           HB2      ALA   2 -11.025  12.279  -3.069
   16    HB3  ALA   2           HB3      ALA   2 -10.164  13.786  -2.760
   17    H    THR   3           HN       THR   3 -10.706  10.200  -3.036
   18    HA   THR   3           HA       THR   3  -9.893   8.240  -0.975
   19    HB   THR   3           HB       THR   3 -12.242   7.378  -1.127
   20    HG1  THR   3           HG1      THR   3 -12.703   8.474  -3.109
   21   HG21  THR   3          HG21      THR   3 -13.273   9.068   0.332
   22   HG22  THR   3          HG22      THR   3 -12.021  10.223  -0.126
   23   HG23  THR   3          HG23      THR   3 -11.595   8.773   0.784
   24    H    LEU   4           HN       LEU   4  -8.554   7.232  -2.009
   25    HA   LEU   4           HA       LEU   4  -8.926   4.999  -3.263
   26    HB2  LEU   4           HB2      LEU   4  -9.922   6.422  -5.208
   27    HB3  LEU   4           HB1      LEU   4  -8.271   7.054  -5.342
   28    HG   LEU   4           HG       LEU   4  -7.513   4.828  -5.512
   29   HD11  LEU   4          HD11      LEU   4 -10.432   4.191  -6.007
   30   HD12  LEU   4          HD12      LEU   4  -9.412   3.574  -4.708
   31   HD13  LEU   4          HD13      LEU   4  -9.120   3.070  -6.372
   32   HD21  LEU   4          HD21      LEU   4  -9.255   5.857  -7.744
   33   HD22  LEU   4          HD22      LEU   4  -8.040   4.597  -7.952
   34   HD23  LEU   4          HD23      LEU   4  -7.554   6.218  -7.457
   35    H    LEU   5           HN       LEU   5  -6.756   4.268  -3.857
   36    HA   LEU   5           HA       LEU   5  -4.690   6.241  -3.318
   37    HB2  LEU   5           HB2      LEU   5  -4.692   3.257  -3.031
   38    HB3  LEU   5           HB1      LEU   5  -3.328   4.312  -2.753
   39    HG   LEU   5           HG       LEU   5  -5.876   4.297  -1.144
   40   HD11  LEU   5          HD11      LEU   5  -4.530   3.268   0.560
   41   HD12  LEU   5          HD12      LEU   5  -3.122   3.297  -0.508
   42   HD13  LEU   5          HD13      LEU   5  -4.509   2.284  -0.908
   43   HD21  LEU   5          HD21      LEU   5  -3.264   5.754  -0.715
   44   HD22  LEU   5          HD22      LEU   5  -4.637   5.742   0.393
   45   HD23  LEU   5          HD23      LEU   5  -4.791   6.495  -1.195
   46    H    THR   6           HN       THR   6  -3.637   6.754  -5.176
   47    HA   THR   6           HA       THR   6  -3.538   4.663  -7.167
   48    HB   THR   6           HB       THR   6  -2.489   6.400  -8.673
   49    HG1  THR   6           HG1      THR   6  -2.995   8.094  -6.427
   50   HG21  THR   6          HG21      THR   6  -4.877   5.941  -8.814
   51   HG22  THR   6          HG22      THR   6  -4.561   7.652  -9.099
   52   HG23  THR   6          HG23      THR   6  -5.195   7.120  -7.541
   53    H    THR   7           HN       THR   7  -1.085   5.158  -8.336
   54    HA   THR   7           HA       THR   7   0.602   3.564  -6.935
   55    HB   THR   7           HB       THR   7   1.469   5.748  -8.818
   56    HG1  THR   7           HG1      THR   7   0.659   4.255 -10.471
   57   HG21  THR   7          HG21      THR   7   3.205   4.217  -7.915
   58   HG22  THR   7          HG22      THR   7   2.956   3.960  -9.643
   59   HG23  THR   7          HG23      THR   7   2.262   2.836  -8.476
   60    H    ASP   8           HN       ASP   8   0.828   7.146  -7.202
   61    HA   ASP   8           HA       ASP   8   2.948   7.275  -5.309
   62    HB2  ASP   8           HB2      ASP   8   2.823   8.949  -7.040
   63    HB3  ASP   8           HB1      ASP   8   1.247   9.479  -6.469
   64    H    ASP   9           HN       ASP   9  -0.517   7.461  -4.969
   65    HA   ASP   9           HA       ASP   9  -0.546   8.697  -2.375
   66    HB2  ASP   9           HB2      ASP   9  -2.552   6.697  -3.474
   67    HB3  ASP   9           HB1      ASP   9  -2.758   7.606  -1.990
   68    H    LEU  10           HN       LEU  10  -0.492   5.395  -3.503
   69    HA   LEU  10           HA       LEU  10  -0.439   4.155  -0.977
   70    HB2  LEU  10           HB2      LEU  10  -0.953   3.072  -3.186
   71    HB3  LEU  10           HB1      LEU  10   0.759   3.147  -3.554
   72    HG   LEU  10           HG       LEU  10   1.199   1.744  -1.559
   73   HD11  LEU  10          HD11      LEU  10  -1.803   1.544  -1.515
   74   HD12  LEU  10          HD12      LEU  10  -0.786   2.300  -0.293
   75   HD13  LEU  10          HD13      LEU  10  -0.702   0.555  -0.554
   76   HD21  LEU  10          HD21      LEU  10  -0.681   0.571  -3.613
   77   HD22  LEU  10          HD22      LEU  10   0.412  -0.347  -2.579
   78   HD23  LEU  10          HD23      LEU  10   1.063   0.757  -3.792
   79    H    ARG  11           HN       ARG  11   2.056   5.030  -3.301
   80    HA   ARG  11           HA       ARG  11   4.380   4.256  -2.091
   81    HB2  ARG  11           HB2      ARG  11   4.280   5.214  -4.302
   82    HB3  ARG  11           HB1      ARG  11   3.763   6.760  -3.654
   83    HG2  ARG  11           HG2      ARG  11   5.963   6.919  -2.506
   84    HG3  ARG  11           HG1      ARG  11   6.452   5.465  -3.384
   85    HD2  ARG  11           HD2      ARG  11   6.142   6.554  -5.487
   86    HD3  ARG  11           HD1      ARG  11   5.425   7.965  -4.705
   87    HE   ARG  11           HE       ARG  11   8.219   7.130  -4.414
   88   HH11  ARG  11          HH11      ARG  11   5.744   9.672  -4.669
   89   HH12  ARG  11          HH12      ARG  11   6.817  10.955  -4.505
   90   HH21  ARG  11          HH21      ARG  11   9.710   8.894  -4.115
   91   HH22  ARG  11          HH22      ARG  11   9.154  10.513  -4.128
   92    H    ARG  12           HN       ARG  12   2.742   7.410  -1.652
   93    HA   ARG  12           HA       ARG  12   4.459   8.407   0.304
   94    HB2  ARG  12           HB2      ARG  12   2.903   9.907  -0.799
   95    HB3  ARG  12           HB1      ARG  12   1.528   9.041  -0.112
   96    HG2  ARG  12           HG2      ARG  12   2.261   9.667   2.133
   97    HG3  ARG  12           HG1      ARG  12   3.612  10.550   1.440
   98    HD2  ARG  12           HD2      ARG  12   2.132  12.138   0.436
   99    HD3  ARG  12           HD1      ARG  12   0.715  11.178   0.888
  100    HE   ARG  12           HE       ARG  12   1.972  11.581   3.237
  101   HH11  ARG  12          HH11      ARG  12   0.725  13.878   0.820
  102   HH12  ARG  12          HH12      ARG  12   0.498  15.113   1.987
  103   HH21  ARG  12          HH21      ARG  12   1.621  13.167   4.711
  104   HH22  ARG  12          HH22      ARG  12   0.977  14.694   4.295
  105    H    ALA  13           HN       ALA  13   1.413   6.642   0.706
  106    HA   ALA  13           HA       ALA  13   1.272   6.768   3.525
  107    HB1  ALA  13           HB1      ALA  13  -0.342   4.967   3.349
  108    HB2  ALA  13           HB2      ALA  13   0.172   4.639   1.694
  109    HB3  ALA  13           HB3      ALA  13  -0.626   6.163   2.082
  110    H    LEU  14           HN       LEU  14   2.840   4.478   1.388
  111    HA   LEU  14           HA       LEU  14   3.595   2.587   3.323
  112    HB2  LEU  14           HB2      LEU  14   4.894   3.389   0.723
  113    HB3  LEU  14           HB1      LEU  14   5.410   2.017   1.677
  114    HG   LEU  14           HG       LEU  14   2.658   2.295   0.458
  115   HD11  LEU  14          HD11      LEU  14   4.392   2.143  -1.253
  116   HD12  LEU  14          HD12      LEU  14   3.433   0.667  -1.175
  117   HD13  LEU  14          HD13      LEU  14   5.049   0.710  -0.462
  118   HD21  LEU  14          HD21      LEU  14   2.771   0.860   2.448
  119   HD22  LEU  14          HD22      LEU  14   4.080  -0.058   1.703
  120   HD23  LEU  14          HD23      LEU  14   2.469  -0.073   0.982
  121    H    VAL  15           HN       VAL  15   5.403   5.309   1.938
  122    HA   VAL  15           HA       VAL  15   7.723   5.030   3.466
  123    HB   VAL  15           HB       VAL  15   6.568   7.543   2.198
  124   HG11  VAL  15          HG11      VAL  15   8.834   8.484   2.351
  125   HG12  VAL  15          HG12      VAL  15   9.366   7.061   3.247
  126   HG13  VAL  15          HG13      VAL  15   8.175   8.152   3.954
  127   HG21  VAL  15          HG21      VAL  15   7.076   5.762   0.607
  128   HG22  VAL  15          HG22      VAL  15   8.700   5.614   1.267
  129   HG23  VAL  15          HG23      VAL  15   8.224   7.089   0.434
  130    H    GLU  16           HN       GLU  16   4.845   7.000   4.101
  131    HA   GLU  16           HA       GLU  16   5.722   8.268   6.454
  132    HB2  GLU  16           HB2      GLU  16   2.913   7.432   5.747
  133    HB3  GLU  16           HB1      GLU  16   3.351   8.587   6.988
  134    HG2  GLU  16           HG2      GLU  16   4.189  10.111   5.306
  135    HG3  GLU  16           HG1      GLU  16   3.851   8.920   4.043
  136    H    SER  17           HN       SER  17   4.485   5.027   5.953
  137    HA   SER  17           HA       SER  17   4.015   4.644   8.792
  138    HB2  SER  17           HB2      SER  17   3.718   2.666   6.536
  139    HB3  SER  17           HB1      SER  17   3.054   2.527   8.164
  140    HG   SER  17           HG       SER  17   2.268   4.015   5.998
  141    H    ALA  18           HN       ALA  18   6.311   3.680   6.297
  142    HA   ALA  18           HA       ALA  18   7.624   1.746   7.951
  143    HB1  ALA  18           HB1      ALA  18   7.613   1.551   5.508
  144    HB2  ALA  18           HB2      ALA  18   9.259   1.603   6.145
  145    HB3  ALA  18           HB3      ALA  18   8.558   3.035   5.388
  146    H    GLY  19           HN       GLY  19   8.006   5.138   7.282
  147    HA2  GLY  19           HA2      GLY  19   9.105   6.700   8.592
  148    HA3  GLY  19           HA1      GLY  19   9.851   5.390   9.505
  149    H    GLU  20           HN       GLU  20  11.586   4.279   8.578
  150    HA   GLU  20           HA       GLU  20  13.189   5.947   6.794
  151    HB2  GLU  20           HB2      GLU  20  13.962   3.637   8.580
  152    HB3  GLU  20           HB1      GLU  20  15.078   4.520   7.541
  153    HG2  GLU  20           HG2      GLU  20  14.658   6.551   8.782
  154    HG3  GLU  20           HG1      GLU  20  13.484   5.708   9.790
  155    H    THR  21           HN       THR  21  13.004   5.453   4.779
  156    HA   THR  21           HA       THR  21  13.307   2.765   3.917
  157    HB   THR  21           HB       THR  21  11.044   2.595   4.300
  158    HG1  THR  21           HG1      THR  21  11.670   1.787   2.327
  159   HG21  THR  21          HG21      THR  21  10.381   4.929   4.545
  160   HG22  THR  21          HG22      THR  21   9.307   4.134   3.395
  161   HG23  THR  21          HG23      THR  21  10.592   5.194   2.816
  162    H    ASP  22           HN       ASP  22  14.765   3.034   2.625
  163    HA   ASP  22           HA       ASP  22  14.687   5.209   0.657
  164    HB2  ASP  22           HB2      ASP  22  16.934   3.332   1.429
  165    HB3  ASP  22           HB1      ASP  22  17.008   4.388   0.023
  166    H    GLY  23           HN       GLY  23  15.440   1.781   0.839
  167    HA2  GLY  23           HA2      GLY  23  14.736   0.031  -0.457
  168    HA3  GLY  23           HA1      GLY  23  13.585   1.141  -1.196
  169    H    THR  24           HN       THR  24  14.510   2.702  -2.700
  170    HA   THR  24           HA       THR  24  16.793   2.496  -4.174
  171    HB   THR  24           HB       THR  24  16.053   0.154  -4.689
  172    HG1  THR  24           HG1      THR  24  16.339   0.208  -6.776
  173   HG21  THR  24          HG21      THR  24  13.648   0.399  -4.405
  174   HG22  THR  24          HG22      THR  24  14.002  -0.274  -5.997
  175   HG23  THR  24          HG23      THR  24  13.559   1.426  -5.838
  176    H    ASP  25           HN       ASP  25  15.262   2.924  -6.735
  177    HA   ASP  25           HA       ASP  25  14.069   5.423  -5.964
  178    HB2  ASP  25           HB2      ASP  25  13.774   5.938  -8.341
  179    HB3  ASP  25           HB1      ASP  25  15.413   5.381  -8.071
  180    H    LEU  26           HN       LEU  26  12.216   5.502  -5.216
  181    HA   LEU  26           HA       LEU  26  10.326   3.279  -5.626
  182    HB2  LEU  26           HB2      LEU  26  11.105   4.079  -3.331
  183    HB3  LEU  26           HB1      LEU  26  10.190   5.538  -3.628
  184    HG   LEU  26           HG       LEU  26   8.133   4.120  -3.806
  185   HD11  LEU  26          HD11      LEU  26   9.998   1.981  -2.796
  186   HD12  LEU  26          HD12      LEU  26   9.214   2.021  -4.374
  187   HD13  LEU  26          HD13      LEU  26   8.244   1.849  -2.914
  188   HD21  LEU  26          HD21      LEU  26   8.693   5.314  -1.756
  189   HD22  LEU  26          HD22      LEU  26   9.684   3.954  -1.226
  190   HD23  LEU  26          HD23      LEU  26   7.938   3.761  -1.393
  191    H    SER  27           HN       SER  27  11.010   6.198  -6.856
  192    HA   SER  27           HA       SER  27   8.411   7.270  -7.180
  193    HB2  SER  27           HB2      SER  27   9.975   8.684  -8.805
  194    HB3  SER  27           HB1      SER  27   9.983   8.915  -7.051
  195    HG   SER  27           HG       SER  27  11.834   7.541  -8.685
  196    H    GLY  28           HN       GLY  28   7.177   7.170  -8.988
  197    HA2  GLY  28           HA2      GLY  28   6.665   6.725 -11.242
  198    HA3  GLY  28           HA1      GLY  28   8.173   5.826 -11.388
  199    H    ASP  29           HN       ASP  29   7.333   3.941 -12.186
  200    HA   ASP  29           HA       ASP  29   5.196   2.649 -10.697
  201    HB2  ASP  29           HB2      ASP  29   5.205   2.527 -13.195
  202    HB3  ASP  29           HB1      ASP  29   6.698   1.599 -13.113
  203    H    PHE  30           HN       PHE  30   6.049   2.053  -8.804
  204    HA   PHE  30           HA       PHE  30   8.409   0.350  -8.892
  205    HB2  PHE  30           HB2      PHE  30   8.571   0.621  -6.488
  206    HB3  PHE  30           HB1      PHE  30   8.326   2.205  -7.202
  207    HD1  PHE  30           HD1      PHE  30   5.921   3.169  -7.102
  208    HD2  PHE  30           HD2      PHE  30   7.231  -0.156  -4.789
  209    HE1  PHE  30           HE1      PHE  30   4.069   3.537  -5.522
  210    HE2  PHE  30           HE2      PHE  30   5.399   0.189  -3.211
  211    HZ   PHE  30           HZ       PHE  30   3.797   2.051  -3.573
  212    H    LEU  31           HN       LEU  31   5.354  -0.017  -9.439
  213    HA   LEU  31           HA       LEU  31   4.207  -1.848  -7.697
  214    HB2  LEU  31           HB2      LEU  31   3.784  -1.713 -10.649
  215    HB3  LEU  31           HB1      LEU  31   2.722  -2.467  -9.487
  216    HG   LEU  31           HG       LEU  31   3.262   0.475  -9.876
  217   HD11  LEU  31          HD11      LEU  31   1.069   0.594 -10.660
  218   HD12  LEU  31          HD12      LEU  31   0.646  -0.901  -9.866
  219   HD13  LEU  31          HD13      LEU  31   1.662  -0.963 -11.305
  220   HD21  LEU  31          HD21      LEU  31   1.592  -0.846  -7.729
  221   HD22  LEU  31          HD22      LEU  31   1.676   0.884  -8.048
  222   HD23  LEU  31          HD23      LEU  31   3.103   0.025  -7.467
  223    H    ASP  32           HN       ASP  32   6.585  -2.415 -10.118
  224    HA   ASP  32           HA       ASP  32   6.143  -5.296 -10.157
  225    HB2  ASP  32           HB2      ASP  32   6.677  -4.158 -12.246
  226    HB3  ASP  32           HB1      ASP  32   8.173  -3.545 -11.558
  227    H    LEU  33           HN       LEU  33   7.999  -3.011  -8.493
  228    HA   LEU  33           HA       LEU  33  10.088  -4.846  -7.773
  229    HB2  LEU  33           HB2      LEU  33   9.477  -2.005  -6.926
  230    HB3  LEU  33           HB1      LEU  33  10.771  -2.944  -6.223
  231    HG   LEU  33           HG       LEU  33  11.865  -3.046  -8.468
  232   HD11  LEU  33          HD11      LEU  33  11.169  -1.513 -10.230
  233   HD12  LEU  33          HD12      LEU  33   9.736  -1.084  -9.300
  234   HD13  LEU  33          HD13      LEU  33   9.930  -2.726  -9.909
  235   HD21  LEU  33          HD21      LEU  33  12.635  -0.735  -8.465
  236   HD22  LEU  33          HD22      LEU  33  12.532  -1.398  -6.834
  237   HD23  LEU  33          HD23      LEU  33  11.289  -0.291  -7.414
  238    H    ARG  34           HN       ARG  34   9.987  -6.133  -6.146
  239    HA   ARG  34           HA       ARG  34   7.519  -6.341  -4.703
  240    HB2  ARG  34           HB2      ARG  34  10.096  -7.894  -4.495
  241    HB3  ARG  34           HB1      ARG  34   8.701  -8.208  -3.481
  242    HG2  ARG  34           HG2      ARG  34   8.668  -9.819  -5.225
  243    HG3  ARG  34           HG1      ARG  34   7.403  -8.638  -5.545
  244    HD2  ARG  34           HD2      ARG  34   8.702  -7.600  -7.253
  245    HD3  ARG  34           HD1      ARG  34  10.111  -8.587  -6.858
  246    HE   ARG  34           HE       ARG  34   8.079 -10.343  -7.413
  247   HH11  ARG  34          HH11      ARG  34   9.486  -7.681  -9.275
  248   HH12  ARG  34          HH12      ARG  34   9.605  -8.535 -10.734
  249   HH21  ARG  34          HH21      ARG  34   8.181 -11.547  -9.465
  250   HH22  ARG  34          HH22      ARG  34   8.755 -10.777 -10.866
  251    H    PHE  35           HN       PHE  35   7.155  -6.053  -2.511
  252    HA   PHE  35           HA       PHE  35   8.539  -3.909  -1.296
  253    HB2  PHE  35           HB2      PHE  35   6.843  -5.952   0.186
  254    HB3  PHE  35           HB1      PHE  35   7.302  -4.337   0.711
  255    HD1  PHE  35           HD1      PHE  35   6.441  -2.353  -0.621
  256    HD2  PHE  35           HD2      PHE  35   4.893  -6.286  -0.910
  257    HE1  PHE  35           HE1      PHE  35   4.317  -1.460  -1.488
  258    HE2  PHE  35           HE2      PHE  35   2.789  -5.410  -1.778
  259    HZ   PHE  35           HZ       PHE  35   2.482  -3.045  -2.070
  260    H    GLU  36           HN       GLU  36   8.843  -7.325  -1.103
  261    HA   GLU  36           HA       GLU  36  10.489  -7.792   1.060
  262    HB2  GLU  36           HB2      GLU  36   9.410  -9.422  -0.555
  263    HB3  GLU  36           HB1      GLU  36  10.742  -9.090  -1.647
  264    HG2  GLU  36           HG2      GLU  36  11.294 -11.068  -0.537
  265    HG3  GLU  36           HG1      GLU  36  12.271  -9.808   0.223
  266    H    ASP  37           HN       ASP  37  11.246  -6.699  -2.193
  267    HA   ASP  37           HA       ASP  37  14.107  -6.880  -1.914
  268    HB2  ASP  37           HB2      ASP  37  13.064  -7.353  -4.060
  269    HB3  ASP  37           HB1      ASP  37  12.350  -5.746  -4.094
  270    H    ILE  38           HN       ILE  38  11.646  -4.416  -1.769
  271    HA   ILE  38           HA       ILE  38  13.685  -2.360  -1.678
  272    HB   ILE  38           HB       ILE  38  11.833  -0.712  -1.697
  273   HG12  ILE  38          HG12      ILE  38  10.057  -3.162  -1.937
  274   HG13  ILE  38          HG11      ILE  38  10.129  -2.086  -0.550
  275   HG21  ILE  38          HG21      ILE  38  12.835  -1.439  -3.782
  276   HG22  ILE  38          HG22      ILE  38  11.105  -1.155  -4.005
  277   HG23  ILE  38          HG23      ILE  38  11.715  -2.802  -3.873
  278   HD11  ILE  38          HD11      ILE  38   9.185  -1.358  -3.314
  279   HD12  ILE  38          HD12      ILE  38   9.257  -0.263  -1.932
  280   HD13  ILE  38          HD13      ILE  38   8.167  -1.650  -1.904
  281    H    GLY  39           HN       GLY  39  13.048  -4.323   0.512
  282    HA2  GLY  39           HA2      GLY  39  13.509  -4.282   2.775
  283    HA3  GLY  39           HA1      GLY  39  13.840  -2.566   2.604
  284    H    TYR  40           HN       TYR  40  10.851  -4.375   2.041
  285    HA   TYR  40           HA       TYR  40   9.609  -2.787   4.170
  286    HB2  TYR  40           HB2      TYR  40   8.706  -3.489   1.453
  287    HB3  TYR  40           HB1      TYR  40   7.498  -3.556   2.722
  288    HD1  TYR  40           HD2      TYR  40  10.042  -1.315   1.199
  289    HD2  TYR  40           HD1      TYR  40   6.419  -1.643   3.381
  290    HE1  TYR  40           HE2      TYR  40   9.716   1.105   1.002
  291    HE2  TYR  40           HE1      TYR  40   6.050   0.733   3.211
  292    HH   TYR  40           HH       TYR  40   8.071   2.747   1.141
  293    H    ASP  41           HN       ASP  41   8.978  -3.898   5.826
  294    HA   ASP  41           HA       ASP  41   8.566  -6.761   5.680
  295    HB2  ASP  41           HB2      ASP  41   8.077  -4.802   7.943
  296    HB3  ASP  41           HB1      ASP  41   7.822  -6.538   8.037
  297    H    SER  42           HN       SER  42   6.660  -7.682   5.378
  298    HA   SER  42           HA       SER  42   4.372  -6.371   4.631
  299    HB2  SER  42           HB2      SER  42   4.545  -9.014   6.010
  300    HB3  SER  42           HB1      SER  42   3.240  -8.493   4.944
  301    HG   SER  42           HG       SER  42   4.454  -8.819   3.236
  302    H    LEU  43           HN       LEU  43   5.518  -6.990   7.894
  303    HA   LEU  43           HA       LEU  43   3.133  -6.377   9.272
  304    HB2  LEU  43           HB2      LEU  43   5.042  -7.338  10.440
  305    HB3  LEU  43           HB1      LEU  43   6.003  -5.909  10.100
  306    HG   LEU  43           HG       LEU  43   4.504  -4.577  11.535
  307   HD11  LEU  43          HD11      LEU  43   3.196  -7.214  12.173
  308   HD12  LEU  43          HD12      LEU  43   2.473  -5.850  11.310
  309   HD13  LEU  43          HD13      LEU  43   2.909  -5.682  13.007
  310   HD21  LEU  43          HD21      LEU  43   5.681  -7.006  12.869
  311   HD22  LEU  43          HD22      LEU  43   5.258  -5.492  13.672
  312   HD23  LEU  43          HD23      LEU  43   6.538  -5.521  12.462
  313    H    ALA  44           HN       ALA  44   5.842  -4.261   8.317
  314    HA   ALA  44           HA       ALA  44   4.653  -1.827   9.157
  315    HB1  ALA  44           HB1      ALA  44   7.065  -2.036   8.725
  316    HB2  ALA  44           HB2      ALA  44   6.357  -0.740   7.759
  317    HB3  ALA  44           HB3      ALA  44   6.739  -2.290   7.010
  318    H    LEU  45           HN       LEU  45   4.527  -3.710   6.301
  319    HA   LEU  45           HA       LEU  45   3.212  -2.027   4.514
  320    HB2  LEU  45           HB2      LEU  45   4.295  -4.216   4.083
  321    HB3  LEU  45           HB1      LEU  45   2.970  -5.005   4.895
  322    HG   LEU  45           HG       LEU  45   1.464  -4.153   3.098
  323   HD11  LEU  45          HD11      LEU  45   4.105  -3.465   1.920
  324   HD12  LEU  45          HD12      LEU  45   2.894  -2.278   2.443
  325   HD13  LEU  45          HD13      LEU  45   2.560  -3.366   1.069
  326   HD21  LEU  45          HD21      LEU  45   2.281  -5.756   1.453
  327   HD22  LEU  45          HD22      LEU  45   2.375  -6.404   3.094
  328   HD23  LEU  45          HD23      LEU  45   3.831  -5.808   2.291
  329    H    MET  46           HN       MET  46   1.914  -4.527   6.747
  330    HA   MET  46           HA       MET  46  -0.812  -3.932   6.436
  331    HB2  MET  46           HB2      MET  46   0.565  -5.151   8.844
  332    HB3  MET  46           HB1      MET  46  -1.174  -5.093   8.596
  333    HG2  MET  46           HG2      MET  46  -0.923  -6.484   6.598
  334    HG3  MET  46           HG1      MET  46   0.816  -6.551   6.872
  335    HE1  MET  46           HE1      MET  46  -2.142  -6.714   9.501
  336    HE2  MET  46           HE2      MET  46  -2.355  -8.460   9.647
  337    HE3  MET  46           HE3      MET  46  -2.728  -7.650   8.126
  338    H    GLU  47           HN       GLU  47   1.611  -2.562   8.530
  339    HA   GLU  47           HA       GLU  47   0.003  -1.008  10.247
  340    HB2  GLU  47           HB2      GLU  47   2.489  -1.405  10.414
  341    HB3  GLU  47           HB1      GLU  47   2.709  -0.287   9.081
  342    HG2  GLU  47           HG2      GLU  47   3.196   0.917  11.037
  343    HG3  GLU  47           HG1      GLU  47   1.590   1.437  10.516
  344    H    THR  48           HN       THR  48   1.113  -0.582   7.055
  345    HA   THR  48           HA       THR  48   0.476   2.182   6.614
  346    HB   THR  48           HB       THR  48   0.885  -0.086   4.632
  347    HG1  THR  48           HG1      THR  48   2.755   0.304   5.964
  348   HG21  THR  48          HG21      THR  48  -0.254   1.844   3.648
  349   HG22  THR  48          HG22      THR  48   1.388   1.703   3.018
  350   HG23  THR  48          HG23      THR  48   1.016   2.910   4.247
  351    H    ALA  49           HN       ALA  49  -0.785  -0.894   5.472
  352    HA   ALA  49           HA       ALA  49  -3.159  -0.075   4.338
  353    HB1  ALA  49           HB1      ALA  49  -2.170  -2.292   4.033
  354    HB2  ALA  49           HB2      ALA  49  -3.856  -2.396   4.538
  355    HB3  ALA  49           HB3      ALA  49  -2.567  -2.695   5.703
  356    H    ALA  50           HN       ALA  50  -2.386  -0.740   7.700
  357    HA   ALA  50           HA       ALA  50  -4.871  -0.919   8.680
  358    HB1  ALA  50           HB1      ALA  50  -4.007  -0.240  10.862
  359    HB2  ALA  50           HB2      ALA  50  -2.527   0.324  10.084
  360    HB3  ALA  50           HB3      ALA  50  -2.948  -1.398  10.050
  361    H    ARG  51           HN       ARG  51  -2.890   1.935   8.207
  362    HA   ARG  51           HA       ARG  51  -4.607   3.942   9.240
  363    HB2  ARG  51           HB2      ARG  51  -2.477   4.061   7.102
  364    HB3  ARG  51           HB1      ARG  51  -3.247   5.469   7.814
  365    HG2  ARG  51           HG2      ARG  51  -2.279   5.013   9.941
  366    HG3  ARG  51           HG1      ARG  51  -1.676   3.446   9.389
  367    HD2  ARG  51           HD2      ARG  51   0.077   5.200   9.441
  368    HD3  ARG  51           HD1      ARG  51  -0.176   4.526   7.833
  369    HE   ARG  51           HE       ARG  51  -1.622   6.948   8.468
  370   HH11  ARG  51          HH11      ARG  51   1.217   5.451   6.961
  371   HH12  ARG  51          HH12      ARG  51   1.525   6.772   5.921
  372   HH21  ARG  51          HH21      ARG  51  -1.147   8.772   6.960
  373   HH22  ARG  51          HH22      ARG  51   0.196   8.634   5.911
  374    H    LEU  52           HN       LEU  52  -4.206   2.457   6.134
  375    HA   LEU  52           HA       LEU  52  -5.897   4.130   4.642
  376    HB2  LEU  52           HB2      LEU  52  -5.092   1.264   4.151
  377    HB3  LEU  52           HB1      LEU  52  -5.739   2.377   2.954
  378    HG   LEU  52           HG       LEU  52  -3.115   2.742   4.400
  379   HD11  LEU  52          HD11      LEU  52  -2.977   0.846   2.918
  380   HD12  LEU  52          HD12      LEU  52  -2.060   2.200   2.264
  381   HD13  LEU  52          HD13      LEU  52  -3.642   1.797   1.598
  382   HD21  LEU  52          HD21      LEU  52  -4.124   4.857   3.736
  383   HD22  LEU  52          HD22      LEU  52  -4.326   4.264   2.088
  384   HD23  LEU  52          HD23      LEU  52  -2.709   4.507   2.742
  385    H    GLU  53           HN       GLU  53  -6.432   0.933   6.154
  386    HA   GLU  53           HA       GLU  53  -9.148   0.658   5.561
  387    HB2  GLU  53           HB2      GLU  53  -7.656  -0.308   8.013
  388    HB3  GLU  53           HB1      GLU  53  -9.257  -0.846   7.533
  389    HG2  GLU  53           HG2      GLU  53  -8.279  -1.721   5.437
  390    HG3  GLU  53           HG1      GLU  53  -6.686  -1.266   6.043
  391    H    SER  54           HN       SER  54  -7.529   2.242   8.225
  392    HA   SER  54           HA       SER  54  -9.739   3.000   9.737
  393    HB2  SER  54           HB2      SER  54  -7.409   3.088  10.538
  394    HB3  SER  54           HB1      SER  54  -7.060   4.388   9.405
  395    HG   SER  54           HG       SER  54  -8.964   4.468  11.495
  396    H    ARG  55           HN       ARG  55  -7.890   5.120   7.488
  397    HA   ARG  55           HA       ARG  55  -9.726   7.247   7.641
  398    HB2  ARG  55           HB2      ARG  55  -7.463   7.705   6.988
  399    HB3  ARG  55           HB1      ARG  55  -7.609   6.675   5.569
  400    HG2  ARG  55           HG2      ARG  55  -9.325   8.215   4.671
  401    HG3  ARG  55           HG1      ARG  55  -9.073   9.266   6.061
  402    HD2  ARG  55           HD2      ARG  55  -6.906   8.490   4.124
  403    HD3  ARG  55           HD1      ARG  55  -7.896   9.935   3.946
  404    HE   ARG  55           HE       ARG  55  -6.589   9.719   6.490
  405   HH11  ARG  55          HH11      ARG  55  -6.173  10.834   3.117
  406   HH12  ARG  55          HH12      ARG  55  -4.987  11.986   3.547
  407   HH21  ARG  55          HH21      ARG  55  -5.054  11.383   7.013
  408   HH22  ARG  55          HH22      ARG  55  -4.331  12.284   5.751
  409    H    TYR  56           HN       TYR  56  -9.482   4.619   5.283
  410    HA   TYR  56           HA       TYR  56 -11.471   5.994   3.680
  411    HB2  TYR  56           HB2      TYR  56  -9.808   3.559   3.041
  412    HB3  TYR  56           HB1      TYR  56 -10.956   4.303   1.933
  413    HD1  TYR  56           HD1      TYR  56 -10.550   6.746   1.269
  414    HD2  TYR  56           HD2      TYR  56  -7.611   4.352   3.188
  415    HE1  TYR  56           HE1      TYR  56  -8.797   8.261   0.457
  416    HE2  TYR  56           HE2      TYR  56  -5.849   5.862   2.387
  417    HH   TYR  56           HH       TYR  56  -5.528   7.463   0.505
  418    H    GLY  57           HN       GLY  57 -11.571   3.836   6.144
  419    HA2  GLY  57           HA2      GLY  57 -13.293   2.584   7.000
  420    HA3  GLY  57           HA1      GLY  57 -14.328   3.333   5.794
  421    H    VAL  58           HN       VAL  58 -11.523   1.556   4.888
  422    HA   VAL  58           HA       VAL  58 -13.277  -0.415   3.669
  423    HB   VAL  58           HB       VAL  58 -11.363  -1.020   2.170
  424   HG11  VAL  58          HG11      VAL  58 -12.169   1.882   2.153
  425   HG12  VAL  58          HG12      VAL  58 -13.070   0.544   1.439
  426   HG13  VAL  58          HG13      VAL  58 -11.495   0.995   0.786
  427   HG21  VAL  58          HG21      VAL  58  -9.485  -0.286   3.567
  428   HG22  VAL  58          HG22      VAL  58 -10.042   1.387   3.431
  429   HG23  VAL  58          HG23      VAL  58  -9.459   0.545   2.004
  430    H    SER  59           HN       SER  59 -12.050  -2.651   3.362
  431    HA   SER  59           HA       SER  59 -10.778  -3.315   5.878
  432    HB2  SER  59           HB2      SER  59 -12.462  -5.305   5.938
  433    HB3  SER  59           HB1      SER  59 -12.951  -3.723   6.545
  434    HG   SER  59           HG       SER  59 -14.155  -3.373   4.816
  435    H    ILE  60           HN       ILE  60  -9.027  -4.340   5.407
  436    HA   ILE  60           HA       ILE  60  -8.871  -5.978   2.974
  437    HB   ILE  60           HB       ILE  60  -6.638  -4.859   4.709
  438   HG12  ILE  60          HG12      ILE  60  -7.589  -3.910   1.993
  439   HG13  ILE  60          HG11      ILE  60  -7.933  -3.101   3.518
  440   HG21  ILE  60          HG21      ILE  60  -5.993  -6.898   3.530
  441   HG22  ILE  60          HG22      ILE  60  -5.165  -5.501   2.841
  442   HG23  ILE  60          HG23      ILE  60  -6.548  -6.210   2.003
  443   HD11  ILE  60          HD11      ILE  60  -5.206  -3.526   2.315
  444   HD12  ILE  60          HD12      ILE  60  -5.548  -2.711   3.840
  445   HD13  ILE  60          HD13      ILE  60  -6.118  -2.016   2.322
  446    HA   PRO  61           HA       PRO  61  -8.916  -9.516   5.806
  447    HB2  PRO  61           HB2      PRO  61  -7.719 -10.835   3.417
  448    HB3  PRO  61           HB1      PRO  61  -9.121 -11.320   4.380
  449    HG2  PRO  61           HG2      PRO  61  -9.467 -10.272   1.973
  450    HG3  PRO  61           HG1      PRO  61 -10.539  -9.812   3.311
  451    HD2  PRO  61           HD2      PRO  61  -8.232  -8.310   2.130
  452    HD3  PRO  61           HD1      PRO  61  -9.824  -7.707   2.639
  453    H    ASP  62           HN       ASP  62  -7.362 -10.279   7.140
  454    HA   ASP  62           HA       ASP  62  -4.864  -9.081   7.319
  455    HB2  ASP  62           HB2      ASP  62  -5.741 -11.697   8.544
  456    HB3  ASP  62           HB1      ASP  62  -4.229 -10.878   8.916
  457    H    ASP  63           HN       ASP  63  -5.659 -12.213   5.889
  458    HA   ASP  63           HA       ASP  63  -2.945 -12.985   5.538
  459    HB2  ASP  63           HB2      ASP  63  -4.701 -14.687   5.531
  460    HB3  ASP  63           HB1      ASP  63  -5.412 -13.976   4.086
  461    H    VAL  64           HN       VAL  64  -5.168 -11.146   3.664
  462    HA   VAL  64           HA       VAL  64  -3.571 -11.178   1.267
  463    HB   VAL  64           HB       VAL  64  -5.810  -9.290   2.089
  464   HG11  VAL  64          HG11      VAL  64  -4.399  -8.309   0.352
  465   HG12  VAL  64          HG12      VAL  64  -5.984  -8.739  -0.294
  466   HG13  VAL  64          HG13      VAL  64  -4.586  -9.761  -0.633
  467   HG21  VAL  64          HG21      VAL  64  -5.865 -11.742   0.332
  468   HG22  VAL  64          HG22      VAL  64  -7.223 -10.650   0.618
  469   HG23  VAL  64          HG23      VAL  64  -6.560 -11.600   1.947
  470    H    ALA  65           HN       ALA  65  -4.128  -8.966   3.953
  471    HA   ALA  65           HA       ALA  65  -2.642  -6.770   3.133
  472    HB1  ALA  65           HB1      ALA  65  -2.589  -6.121   5.480
  473    HB2  ALA  65           HB2      ALA  65  -3.074  -7.754   5.952
  474    HB3  ALA  65           HB3      ALA  65  -4.180  -6.736   5.029
  475    H    GLY  66           HN       GLY  66  -1.525  -9.728   4.716
  476    HA2  GLY  66           HA2      GLY  66   1.205  -8.634   4.667
  477    HA3  GLY  66           HA1      GLY  66   0.665  -9.964   5.678
  478    H    ARG  67           HN       ARG  67  -0.347  -9.892   2.386
  479    HA   ARG  67           HA       ARG  67   1.755 -11.834   1.645
  480    HB2  ARG  67           HB2      ARG  67  -0.306 -12.957   2.383
  481    HB3  ARG  67           HB1      ARG  67  -1.195 -12.098   1.151
  482    HG2  ARG  67           HG2      ARG  67  -0.009 -13.315  -0.568
  483    HG3  ARG  67           HG1      ARG  67   0.948 -14.145   0.675
  484    HD2  ARG  67           HD2      ARG  67  -1.066 -15.058   1.650
  485    HD3  ARG  67           HD1      ARG  67  -2.053 -14.191   0.481
  486    HE   ARG  67           HE       ARG  67  -0.344 -15.683  -0.995
  487   HH11  ARG  67          HH11      ARG  67  -2.815 -16.368   1.529
  488   HH12  ARG  67          HH12      ARG  67  -3.183 -17.912   0.879
  489   HH21  ARG  67          HH21      ARG  67  -0.969 -17.804  -1.835
  490   HH22  ARG  67          HH22      ARG  67  -2.148 -18.725  -0.990
  491    H    VAL  68           HN       VAL  68   0.264  -9.000   0.966
  492    HA   VAL  68           HA       VAL  68   0.428  -9.188  -1.882
  493    HB   VAL  68           HB       VAL  68   0.139  -6.628  -1.768
  494   HG11  VAL  68          HG11      VAL  68  -2.246  -6.796  -1.215
  495   HG12  VAL  68          HG12      VAL  68  -1.962  -8.379  -0.490
  496   HG13  VAL  68          HG13      VAL  68  -1.719  -8.146  -2.221
  497   HG21  VAL  68          HG21      VAL  68  -0.710  -5.727   0.340
  498   HG22  VAL  68          HG22      VAL  68   0.951  -6.297   0.503
  499   HG23  VAL  68          HG23      VAL  68  -0.383  -7.268   1.141
  500    H    ASP  69           HN       ASP  69   2.229  -9.515  -2.672
  501    HA   ASP  69           HA       ASP  69   4.757  -8.656  -1.431
  502    HB2  ASP  69           HB2      ASP  69   4.276 -11.035  -2.277
  503    HB3  ASP  69           HB1      ASP  69   4.272 -10.337  -3.854
  504    H    THR  70           HN       THR  70   2.784  -8.107  -4.186
  505    HA   THR  70           HA       THR  70   4.794  -6.234  -5.079
  506    HB   THR  70           HB       THR  70   3.840  -6.537  -7.392
  507    HG1  THR  70           HG1      THR  70   2.686  -8.933  -6.408
  508   HG21  THR  70          HG21      THR  70   5.877  -7.672  -6.722
  509   HG22  THR  70          HG22      THR  70   4.905  -8.782  -7.707
  510   HG23  THR  70          HG23      THR  70   4.932  -8.935  -5.943
  511    HA   PRO  71           HA       PRO  71   2.250  -2.948  -3.798
  512    HB2  PRO  71           HB2      PRO  71   3.235  -1.720  -6.327
  513    HB3  PRO  71           HB1      PRO  71   3.207  -1.056  -4.688
  514    HG2  PRO  71           HG2      PRO  71   5.468  -1.981  -5.710
  515    HG3  PRO  71           HG1      PRO  71   5.049  -2.282  -4.012
  516    HD2  PRO  71           HD2      PRO  71   4.986  -4.130  -6.339
  517    HD3  PRO  71           HD1      PRO  71   5.348  -4.468  -4.634
  518    H    ARG  72           HN       ARG  72   2.152  -3.591  -7.258
  519    HA   ARG  72           HA       ARG  72  -0.277  -2.352  -7.742
  520    HB2  ARG  72           HB2      ARG  72  -0.398  -3.774  -9.843
  521    HB3  ARG  72           HB1      ARG  72   1.039  -2.793  -9.614
  522    HG2  ARG  72           HG2      ARG  72   2.134  -4.819  -8.682
  523    HG3  ARG  72           HG1      ARG  72   0.765  -5.718  -9.347
  524    HD2  ARG  72           HD2      ARG  72   1.253  -4.982 -11.560
  525    HD3  ARG  72           HD1      ARG  72   2.454  -3.822 -10.969
  526    HE   ARG  72           HE       ARG  72   2.849  -6.455 -10.156
  527   HH11  ARG  72          HH11      ARG  72   3.647  -4.118 -12.746
  528   HH12  ARG  72          HH12      ARG  72   4.988  -4.993 -13.300
  529   HH21  ARG  72          HH21      ARG  72   4.883  -7.597 -10.923
  530   HH22  ARG  72          HH22      ARG  72   5.769  -6.900 -12.181
  531    H    GLU  73           HN       GLU  73   0.206  -5.633  -6.544
  532    HA   GLU  73           HA       GLU  73  -2.470  -6.444  -6.964
  533    HB2  GLU  73           HB2      GLU  73  -0.352  -7.421  -5.065
  534    HB3  GLU  73           HB1      GLU  73  -1.923  -8.193  -5.233
  535    HG2  GLU  73           HG2      GLU  73   0.114  -7.840  -7.407
  536    HG3  GLU  73           HG1      GLU  73  -0.205  -9.330  -6.516
  537    H    LEU  74           HN       LEU  74  -0.772  -5.021  -4.288
  538    HA   LEU  74           HA       LEU  74  -2.973  -5.007  -2.501
  539    HB2  LEU  74           HB2      LEU  74  -0.624  -4.941  -1.755
  540    HB3  LEU  74           HB1      LEU  74  -0.407  -3.389  -2.516
  541    HG   LEU  74           HG       LEU  74  -0.606  -3.432   0.034
  542   HD11  LEU  74          HD11      LEU  74  -2.469  -1.664  -1.486
  543   HD12  LEU  74          HD12      LEU  74  -0.750  -1.391  -1.212
  544   HD13  LEU  74          HD13      LEU  74  -1.873  -1.389   0.148
  545   HD21  LEU  74          HD21      LEU  74  -2.864  -3.453   0.963
  546   HD22  LEU  74          HD22      LEU  74  -2.473  -4.999   0.208
  547   HD23  LEU  74          HD23      LEU  74  -3.518  -3.849  -0.626
  548    H    LEU  75           HN       LEU  75  -1.546  -2.613  -4.640
  549    HA   LEU  75           HA       LEU  75  -3.177  -0.417  -4.133
  550    HB2  LEU  75           HB2      LEU  75  -1.118  -0.484  -5.550
  551    HB3  LEU  75           HB1      LEU  75  -2.048  -1.280  -6.801
  552    HG   LEU  75           HG       LEU  75  -3.481   0.723  -6.978
  553   HD11  LEU  75          HD11      LEU  75  -1.515   1.887  -5.017
  554   HD12  LEU  75          HD12      LEU  75  -3.216   1.535  -4.706
  555   HD13  LEU  75          HD13      LEU  75  -2.772   2.778  -5.874
  556   HD21  LEU  75          HD21      LEU  75  -1.549   0.445  -8.451
  557   HD22  LEU  75          HD22      LEU  75  -0.522   1.242  -7.261
  558   HD23  LEU  75          HD23      LEU  75  -1.809   2.144  -8.059
  559    H    ASP  76           HN       ASP  76  -3.528  -2.990  -6.532
  560    HA   ASP  76           HA       ASP  76  -5.974  -2.307  -7.651
  561    HB2  ASP  76           HB2      ASP  76  -4.635  -3.985  -8.682
  562    HB3  ASP  76           HB1      ASP  76  -4.655  -4.986  -7.235
  563    H    LEU  77           HN       LEU  77  -5.276  -4.366  -4.872
  564    HA   LEU  77           HA       LEU  77  -7.904  -5.201  -4.344
  565    HB2  LEU  77           HB2      LEU  77  -5.756  -6.190  -3.423
  566    HB3  LEU  77           HB1      LEU  77  -5.654  -4.828  -2.343
  567    HG   LEU  77           HG       LEU  77  -6.420  -6.929  -1.266
  568   HD11  LEU  77          HD11      LEU  77  -7.022  -4.852  -0.202
  569   HD12  LEU  77          HD12      LEU  77  -8.311  -6.040  -0.011
  570   HD13  LEU  77          HD13      LEU  77  -8.477  -4.739  -1.192
  571   HD21  LEU  77          HD21      LEU  77  -8.689  -7.757  -1.675
  572   HD22  LEU  77          HD22      LEU  77  -7.659  -7.899  -3.099
  573   HD23  LEU  77          HD23      LEU  77  -8.860  -6.607  -3.002
  574    H    ILE  78           HN       ILE  78  -6.017  -2.482  -3.061
  575    HA   ILE  78           HA       ILE  78  -8.174  -1.572  -1.467
  576    HB   ILE  78           HB       ILE  78  -5.644  -0.093  -2.276
  577   HG12  ILE  78          HG12      ILE  78  -6.415  -1.587   0.238
  578   HG13  ILE  78          HG11      ILE  78  -5.255  -2.116  -0.973
  579   HG21  ILE  78          HG21      ILE  78  -7.383   1.506  -1.641
  580   HG22  ILE  78          HG22      ILE  78  -6.150   1.411  -0.377
  581   HG23  ILE  78          HG23      ILE  78  -7.697   0.598  -0.163
  582   HD11  ILE  78          HD11      ILE  78  -3.825  -0.218  -0.411
  583   HD12  ILE  78          HD12      ILE  78  -4.127  -1.257   0.969
  584   HD13  ILE  78          HD13      ILE  78  -4.979   0.286   0.827
  585    H    ASN  79           HN       ASN  79  -7.263  -0.964  -4.759
  586    HA   ASN  79           HA       ASN  79  -9.018   1.254  -5.101
  587    HB2  ASN  79           HB2      ASN  79  -7.742  -0.630  -7.070
  588    HB3  ASN  79           HB1      ASN  79  -9.002   0.471  -7.605
  589   HD21  ASN  79          HD21      ASN  79  -6.711   1.315  -5.106
  590   HD22  ASN  79          HD22      ASN  79  -5.843   2.490  -6.033
  591    H    GLY  80           HN       GLY  80  -9.409  -2.208  -5.404
  592    HA2  GLY  80           HA2      GLY  80 -12.108  -2.161  -6.265
  593    HA3  GLY  80           HA1      GLY  80 -11.294  -3.509  -5.473
  594    H    ALA  81           HN       ALA  81 -10.565  -2.256  -3.114
  595    HA   ALA  81           HA       ALA  81 -12.909  -2.509  -1.579
  596    HB1  ALA  81           HB1      ALA  81 -10.265  -1.274  -0.800
  597    HB2  ALA  81           HB2      ALA  81 -10.674  -2.986  -0.691
  598    HB3  ALA  81           HB3      ALA  81 -11.523  -1.811   0.314
  599    H    LEU  82           HN       LEU  82 -11.077   0.353  -2.622
  600    HA   LEU  82           HA       LEU  82 -12.858   2.182  -1.393
  601    HB2  LEU  82           HB2      LEU  82 -10.584   2.433  -3.262
  602    HB3  LEU  82           HB1      LEU  82 -11.766   3.720  -3.325
  603    HG   LEU  82           HG       LEU  82  -9.909   4.318  -1.865
  604   HD11  LEU  82          HD11      LEU  82 -12.096   5.205  -1.358
  605   HD12  LEU  82          HD12      LEU  82 -11.160   4.942   0.111
  606   HD13  LEU  82          HD13      LEU  82 -12.441   3.811  -0.334
  607   HD21  LEU  82          HD21      LEU  82 -10.714   1.929  -0.219
  608   HD22  LEU  82          HD22      LEU  82  -9.518   3.146   0.236
  609   HD23  LEU  82          HD23      LEU  82  -9.226   2.095  -1.150
  610    H    ALA  83           HN       ALA  83 -12.917   0.560  -4.467
  611    HA   ALA  83           HA       ALA  83 -14.896   2.170  -5.665
  612    HB1  ALA  83           HB1      ALA  83 -15.385   0.217  -7.074
  613    HB2  ALA  83           HB2      ALA  83 -14.447  -0.806  -5.986
  614    HB3  ALA  83           HB3      ALA  83 -13.645   0.459  -6.919
  615    H    GLU  84           HN       GLU  84 -14.983  -0.323  -3.294
  616    HA   GLU  84           HA       GLU  84 -17.861  -0.578  -3.318
  617    HB2  GLU  84           HB2      GLU  84 -15.737  -1.852  -1.626
  618    HB3  GLU  84           HB1      GLU  84 -17.451  -2.242  -1.555
  619    HG2  GLU  84           HG2      GLU  84 -15.745  -2.515  -4.009
  620    HG3  GLU  84           HG1      GLU  84 -16.107  -3.827  -2.889
  621    H    ALA  85           HN       ALA  85 -15.408   0.336  -0.884
  622    HA   ALA  85           HA       ALA  85 -17.552   1.121   0.915
  623    HB1  ALA  85           HB1      ALA  85 -15.794  -0.379   1.704
  624    HB2  ALA  85           HB2      ALA  85 -15.884   1.109   2.647
  625    HB3  ALA  85           HB3      ALA  85 -14.605   0.899   1.452
  626    H    ALA  86           HN       ALA  86 -16.464   2.868  -1.421
  627    HA   ALA  86           HA       ALA  86 -15.659   5.208   0.068
  628    HB1  ALA  86           HB1      ALA  86 -14.818   4.920  -2.226
  629    HB2  ALA  86           HB2      ALA  86 -15.751   6.411  -2.061
  630    HB3  ALA  86           HB3      ALA  86 -16.471   4.997  -2.834
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1 -16.541   8.712  -0.715
    2    H2   MET   1           HT2      MET   1 -17.558   9.890  -0.085
    3    H3   MET   1           HT3      MET   1 -16.532   9.056   0.926
    4    HA   MET   1           HA       MET   1 -15.634  10.805  -1.273
    5    HB2  MET   1           HB2      MET   1 -15.933  11.382   1.669
    6    HB3  MET   1           HB1      MET   1 -14.841  12.305   0.650
    7    HG2  MET   1           HG2      MET   1 -17.807  12.031   0.255
    8    HG3  MET   1           HG1      MET   1 -16.970  13.431   0.928
    9    HE1  MET   1           HE1      MET   1 -19.021  13.452  -1.585
   10    HE2  MET   1           HE2      MET   1 -18.202  14.608  -2.639
   11    HE3  MET   1           HE3      MET   1 -18.296  14.907  -0.902
   12    H    ALA   2           HN       ALA   2 -14.782   8.047  -0.501
   13    HA   ALA   2           HA       ALA   2 -12.117   8.539   0.522
   14    HB1  ALA   2           HB1      ALA   2 -13.495   5.987  -0.349
   15    HB2  ALA   2           HB2      ALA   2 -13.339   6.558   1.311
   16    HB3  ALA   2           HB3      ALA   2 -11.901   6.090   0.402
   17    H    THR   3           HN       THR   3 -10.705   9.286  -0.927
   18    HA   THR   3           HA       THR   3 -11.129   8.919  -3.730
   19    HB   THR   3           HB       THR   3  -8.986  10.261  -3.867
   20    HG1  THR   3           HG1      THR   3  -7.906  10.042  -2.070
   21   HG21  THR   3          HG21      THR   3 -10.025  12.336  -3.073
   22   HG22  THR   3          HG22      THR   3 -11.215  11.391  -2.171
   23   HG23  THR   3          HG23      THR   3 -11.188  11.325  -3.933
   24    H    LEU   4           HN       LEU   4 -10.373   7.300  -4.879
   25    HA   LEU   4           HA       LEU   4  -8.844   5.298  -3.649
   26    HB2  LEU   4           HB2      LEU   4  -9.903   5.591  -6.433
   27    HB3  LEU   4           HB1      LEU   4  -8.675   4.398  -6.102
   28    HG   LEU   4           HG       LEU   4 -10.078   3.243  -4.526
   29   HD11  LEU   4          HD11      LEU   4 -12.371   3.876  -4.110
   30   HD12  LEU   4          HD12      LEU   4 -12.121   5.398  -5.001
   31   HD13  LEU   4          HD13      LEU   4 -11.204   5.049  -3.517
   32   HD21  LEU   4          HD21      LEU   4 -10.379   2.645  -6.855
   33   HD22  LEU   4          HD22      LEU   4 -11.617   3.890  -7.032
   34   HD23  LEU   4          HD23      LEU   4 -11.902   2.505  -5.978
   35    H    LEU   5           HN       LEU   5  -6.914   4.332  -4.700
   36    HA   LEU   5           HA       LEU   5  -4.960   6.449  -4.259
   37    HB2  LEU   5           HB2      LEU   5  -4.568   3.493  -4.254
   38    HB3  LEU   5           HB1      LEU   5  -3.501   4.722  -3.617
   39    HG   LEU   5           HG       LEU   5  -6.210   4.023  -2.519
   40   HD11  LEU   5          HD11      LEU   5  -3.444   3.403  -1.541
   41   HD12  LEU   5          HD12      LEU   5  -4.605   2.259  -2.233
   42   HD13  LEU   5          HD13      LEU   5  -4.955   3.051  -0.699
   43   HD21  LEU   5          HD21      LEU   5  -5.592   6.375  -2.122
   44   HD22  LEU   5          HD22      LEU   5  -4.059   5.844  -1.428
   45   HD23  LEU   5          HD23      LEU   5  -5.580   5.432  -0.632
   46    H    THR   6           HN       THR   6  -3.419   6.924  -5.656
   47    HA   THR   6           HA       THR   6  -3.133   5.308  -8.072
   48    HB   THR   6           HB       THR   6  -1.692   7.172  -8.883
   49    HG1  THR   6           HG1      THR   6  -2.446   8.466  -6.435
   50   HG21  THR   6          HG21      THR   6  -4.383   8.114  -7.879
   51   HG22  THR   6          HG22      THR   6  -4.080   7.268  -9.398
   52   HG23  THR   6          HG23      THR   6  -3.436   8.890  -9.149
   53    H    THR   7           HN       THR   7  -0.526   5.385  -8.640
   54    HA   THR   7           HA       THR   7   0.749   3.819  -6.719
   55    HB   THR   7           HB       THR   7   2.183   5.507  -8.798
   56    HG1  THR   7           HG1      THR   7   1.836   3.323  -9.982
   57   HG21  THR   7          HG21      THR   7   3.745   3.617  -8.793
   58   HG22  THR   7          HG22      THR   7   2.749   2.788  -7.596
   59   HG23  THR   7          HG23      THR   7   3.578   4.286  -7.171
   60    H    ASP   8           HN       ASP   8   0.595   7.272  -7.171
   61    HA   ASP   8           HA       ASP   8   2.789   8.019  -5.510
   62    HB2  ASP   8           HB2      ASP   8   1.702   9.536  -7.190
   63    HB3  ASP   8           HB1      ASP   8   0.321   9.662  -6.105
   64    H    ASP   9           HN       ASP   9  -0.654   7.643  -4.994
   65    HA   ASP   9           HA       ASP   9  -0.775   8.542  -2.308
   66    HB2  ASP   9           HB2      ASP   9  -2.526   6.537  -3.746
   67    HB3  ASP   9           HB1      ASP   9  -2.887   7.186  -2.165
   68    H    LEU  10           HN       LEU  10  -0.208   5.440  -3.793
   69    HA   LEU  10           HA       LEU  10  -0.174   3.909  -1.432
   70    HB2  LEU  10           HB2      LEU  10  -0.454   2.977  -3.706
   71    HB3  LEU  10           HB1      LEU  10   1.204   3.402  -4.070
   72    HG   LEU  10           HG       LEU  10   1.992   1.794  -2.393
   73   HD11  LEU  10          HD11      LEU  10   0.106   1.925  -0.856
   74   HD12  LEU  10          HD12      LEU  10   0.411   0.256  -1.339
   75   HD13  LEU  10          HD13      LEU  10  -0.935   1.149  -2.051
   76   HD21  LEU  10          HD21      LEU  10   1.331  -0.239  -3.575
   77   HD22  LEU  10          HD22      LEU  10   1.683   1.069  -4.706
   78   HD23  LEU  10          HD23      LEU  10   0.009   0.635  -4.348
   79    H    ARG  11           HN       ARG  11   2.402   5.438  -3.341
   80    HA   ARG  11           HA       ARG  11   4.627   4.708  -1.863
   81    HB2  ARG  11           HB2      ARG  11   4.874   5.921  -3.958
   82    HB3  ARG  11           HB1      ARG  11   4.090   7.338  -3.277
   83    HG2  ARG  11           HG2      ARG  11   5.953   7.687  -1.765
   84    HG3  ARG  11           HG1      ARG  11   6.724   6.209  -2.339
   85    HD2  ARG  11           HD2      ARG  11   7.731   8.207  -3.324
   86    HD3  ARG  11           HD1      ARG  11   6.993   7.178  -4.545
   87    HE   ARG  11           HE       ARG  11   5.039   8.851  -4.239
   88   HH11  ARG  11          HH11      ARG  11   8.464   9.769  -3.997
   89   HH12  ARG  11          HH12      ARG  11   8.281  11.241  -4.833
   90   HH21  ARG  11          HH21      ARG  11   4.772  10.945  -5.366
   91   HH22  ARG  11          HH22      ARG  11   6.127  11.923  -5.621
   92    H    ARG  12           HN       ARG  12   2.460   7.424  -1.329
   93    HA   ARG  12           HA       ARG  12   3.699   8.718   0.813
   94    HB2  ARG  12           HB2      ARG  12   0.722   8.322   0.501
   95    HB3  ARG  12           HB1      ARG  12   1.516   9.586   1.421
   96    HG2  ARG  12           HG2      ARG  12   2.370  10.561  -0.607
   97    HG3  ARG  12           HG1      ARG  12   1.676   9.245  -1.555
   98    HD2  ARG  12           HD2      ARG  12  -0.554   9.906  -0.585
   99    HD3  ARG  12           HD1      ARG  12   0.240  11.371  -0.002
  100    HE   ARG  12           HE       ARG  12   0.814  11.067  -2.721
  101   HH11  ARG  12          HH11      ARG  12  -1.885  12.008  -0.618
  102   HH12  ARG  12          HH12      ARG  12  -2.796  12.643  -1.914
  103   HH21  ARG  12          HH21      ARG  12  -0.344  12.020  -4.371
  104   HH22  ARG  12          HH22      ARG  12  -1.870  12.768  -4.099
  105    H    ALA  13           HN       ALA  13   1.318   6.124   0.844
  106    HA   ALA  13           HA       ALA  13   1.028   5.937   3.622
  107    HB1  ALA  13           HB1      ALA  13   0.549   3.825   1.534
  108    HB2  ALA  13           HB2      ALA  13  -0.593   5.080   2.016
  109    HB3  ALA  13           HB3      ALA  13  -0.104   3.841   3.171
  110    H    LEU  14           HN       LEU  14   3.195   4.257   1.415
  111    HA   LEU  14           HA       LEU  14   4.277   2.546   3.390
  112    HB2  LEU  14           HB2      LEU  14   5.234   3.374   0.677
  113    HB3  LEU  14           HB1      LEU  14   6.341   2.553   1.751
  114    HG   LEU  14           HG       LEU  14   4.698   0.665   1.875
  115   HD11  LEU  14          HD11      LEU  14   3.348   2.092  -0.389
  116   HD12  LEU  14          HD12      LEU  14   2.684   1.792   1.218
  117   HD13  LEU  14          HD13      LEU  14   3.022   0.440   0.135
  118   HD21  LEU  14          HD21      LEU  14   5.289  -0.259  -0.310
  119   HD22  LEU  14          HD22      LEU  14   6.657   0.526   0.482
  120   HD23  LEU  14          HD23      LEU  14   5.812   1.343  -0.833
  121    H    VAL  15           HN       VAL  15   5.322   5.680   2.169
  122    HA   VAL  15           HA       VAL  15   7.635   6.014   3.714
  123    HB   VAL  15           HB       VAL  15   5.649   8.107   2.735
  124   HG11  VAL  15          HG11      VAL  15   8.463   8.517   3.744
  125   HG12  VAL  15          HG12      VAL  15   6.986   9.039   4.555
  126   HG13  VAL  15          HG13      VAL  15   7.440   9.751   3.008
  127   HG21  VAL  15          HG21      VAL  15   8.276   7.167   1.596
  128   HG22  VAL  15          HG22      VAL  15   7.281   8.472   0.945
  129   HG23  VAL  15          HG23      VAL  15   6.672   6.816   0.952
  130    H    GLU  16           HN       GLU  16   4.267   6.678   4.469
  131    HA   GLU  16           HA       GLU  16   4.505   7.872   6.968
  132    HB2  GLU  16           HB2      GLU  16   2.369   6.054   5.922
  133    HB3  GLU  16           HB1      GLU  16   2.240   7.000   7.398
  134    HG2  GLU  16           HG2      GLU  16   2.552   8.054   4.602
  135    HG3  GLU  16           HG1      GLU  16   1.116   8.051   5.623
  136    H    SER  17           HN       SER  17   4.458   4.500   6.008
  137    HA   SER  17           HA       SER  17   4.197   3.471   8.680
  138    HB2  SER  17           HB2      SER  17   4.749   2.030   6.095
  139    HB3  SER  17           HB1      SER  17   4.155   1.319   7.599
  140    HG   SER  17           HG       SER  17   2.831   3.162   5.889
  141    H    ALA  18           HN       ALA  18   6.786   3.849   6.306
  142    HA   ALA  18           HA       ALA  18   8.636   2.237   7.770
  143    HB1  ALA  18           HB1      ALA  18   8.783   2.495   5.337
  144    HB2  ALA  18           HB2      ALA  18  10.277   2.979   6.138
  145    HB3  ALA  18           HB3      ALA  18   9.154   4.205   5.546
  146    H    GLY  19           HN       GLY  19   8.094   5.705   7.402
  147    HA2  GLY  19           HA2      GLY  19   8.565   7.211   9.209
  148    HA3  GLY  19           HA1      GLY  19   9.872   6.133   9.707
  149    H    GLU  20           HN       GLU  20   9.857   9.016   8.951
  150    HA   GLU  20           HA       GLU  20  11.150  10.500   7.944
  151    HB2  GLU  20           HB2      GLU  20  13.093   9.070   8.441
  152    HB3  GLU  20           HB1      GLU  20  12.789   8.115   7.000
  153    HG2  GLU  20           HG2      GLU  20  14.654   9.630   6.669
  154    HG3  GLU  20           HG1      GLU  20  13.315  10.045   5.603
  155    H    THR  21           HN       THR  21  11.345  11.550   5.966
  156    HA   THR  21           HA       THR  21   9.446  10.486   4.075
  157    HB   THR  21           HB       THR  21   9.126  12.832   4.864
  158    HG1  THR  21           HG1      THR  21   8.169  12.876   3.028
  159   HG21  THR  21          HG21      THR  21  10.619  14.615   4.039
  160   HG22  THR  21          HG22      THR  21  11.688  13.390   3.355
  161   HG23  THR  21          HG23      THR  21  11.473  13.494   5.100
  162    H    ASP  22           HN       ASP  22  10.205  11.535   1.766
  163    HA   ASP  22           HA       ASP  22  11.201  10.744  -0.121
  164    HB2  ASP  22           HB2      ASP  22  12.818  12.513   0.467
  165    HB3  ASP  22           HB1      ASP  22  13.738  11.343   1.416
  166    H    GLY  23           HN       GLY  23  10.392   8.715   0.097
  167    HA2  GLY  23           HA2      GLY  23  11.848   6.641   1.408
  168    HA3  GLY  23           HA1      GLY  23  10.442   6.440   0.373
  169    H    THR  24           HN       THR  24  13.848   6.504   0.586
  170    HA   THR  24           HA       THR  24  15.553   5.974  -0.818
  171    HB   THR  24           HB       THR  24  15.365   3.714  -1.747
  172    HG1  THR  24           HG1      THR  24  13.410   2.665  -1.927
  173   HG21  THR  24          HG21      THR  24  15.764   3.942   0.646
  174   HG22  THR  24          HG22      THR  24  14.762   2.521   0.321
  175   HG23  THR  24          HG23      THR  24  14.024   3.999   0.939
  176    H    ASP  25           HN       ASP  25  14.179   4.391  -3.162
  177    HA   ASP  25           HA       ASP  25  14.177   6.618  -5.105
  178    HB2  ASP  25           HB2      ASP  25  15.208   5.158  -6.759
  179    HB3  ASP  25           HB1      ASP  25  16.209   5.110  -5.318
  180    H    LEU  26           HN       LEU  26  12.153   5.367  -3.458
  181    HA   LEU  26           HA       LEU  26  10.599   3.516  -5.045
  182    HB2  LEU  26           HB2      LEU  26  10.914   3.727  -2.466
  183    HB3  LEU  26           HB1      LEU  26   9.682   4.961  -2.588
  184    HG   LEU  26           HG       LEU  26   8.187   3.238  -3.624
  185   HD11  LEU  26          HD11      LEU  26  10.407   1.418  -2.715
  186   HD12  LEU  26          HD12      LEU  26   9.932   1.727  -4.387
  187   HD13  LEU  26          HD13      LEU  26   8.826   0.892  -3.292
  188   HD21  LEU  26          HD21      LEU  26   7.678   2.157  -1.483
  189   HD22  LEU  26          HD22      LEU  26   8.009   3.876  -1.268
  190   HD23  LEU  26          HD23      LEU  26   9.237   2.684  -0.845
  191    H    SER  27           HN       SER  27  11.139   6.595  -5.557
  192    HA   SER  27           HA       SER  27   8.553   7.754  -5.674
  193    HB2  SER  27           HB2      SER  27   9.919   9.479  -6.959
  194    HB3  SER  27           HB1      SER  27  10.290   9.234  -5.254
  195    HG   SER  27           HG       SER  27  12.237   9.143  -6.167
  196    H    GLY  28           HN       GLY  28   7.229   7.911  -7.405
  197    HA2  GLY  28           HA2      GLY  28   6.866   7.989  -9.767
  198    HA3  GLY  28           HA1      GLY  28   8.221   6.875  -9.963
  199    H    ASP  29           HN       ASP  29   7.224   5.174 -10.929
  200    HA   ASP  29           HA       ASP  29   4.934   4.105  -9.472
  201    HB2  ASP  29           HB2      ASP  29   4.548   4.544 -11.888
  202    HB3  ASP  29           HB1      ASP  29   5.836   3.405 -12.269
  203    H    PHE  30           HN       PHE  30   5.614   2.777  -8.009
  204    HA   PHE  30           HA       PHE  30   7.885   1.071  -8.651
  205    HB2  PHE  30           HB2      PHE  30   8.264   0.835  -6.269
  206    HB3  PHE  30           HB1      PHE  30   8.133   2.535  -6.675
  207    HD1  PHE  30           HD1      PHE  30   5.886   3.699  -6.162
  208    HD2  PHE  30           HD2      PHE  30   6.958  -0.112  -4.603
  209    HE1  PHE  30           HE1      PHE  30   4.222   3.958  -4.370
  210    HE2  PHE  30           HE2      PHE  30   5.306   0.134  -2.817
  211    HZ   PHE  30           HZ       PHE  30   3.926   2.179  -2.695
  212    H    LEU  31           HN       LEU  31   4.962   0.649  -9.357
  213    HA   LEU  31           HA       LEU  31   3.752  -1.242  -7.742
  214    HB2  LEU  31           HB2      LEU  31   3.459  -0.886 -10.707
  215    HB3  LEU  31           HB1      LEU  31   2.462  -1.968  -9.758
  216    HG   LEU  31           HG       LEU  31   2.581   1.040  -9.563
  217   HD11  LEU  31          HD11      LEU  31   1.311   0.172 -11.445
  218   HD12  LEU  31          HD12      LEU  31   0.243   0.884 -10.225
  219   HD13  LEU  31          HD13      LEU  31   0.408  -0.870 -10.337
  220   HD21  LEU  31          HD21      LEU  31   0.830   0.834  -7.859
  221   HD22  LEU  31          HD22      LEU  31   2.337   0.082  -7.328
  222   HD23  LEU  31          HD23      LEU  31   1.007  -0.923  -7.905
  223    H    ASP  32           HN       ASP  32   6.415  -1.787  -9.780
  224    HA   ASP  32           HA       ASP  32   5.996  -4.680  -9.776
  225    HB2  ASP  32           HB2      ASP  32   6.740  -3.691 -11.877
  226    HB3  ASP  32           HB1      ASP  32   8.158  -3.018 -11.083
  227    H    LEU  33           HN       LEU  33   7.659  -2.301  -7.981
  228    HA   LEU  33           HA       LEU  33   9.811  -4.027  -7.204
  229    HB2  LEU  33           HB2      LEU  33   9.043  -1.245  -6.299
  230    HB3  LEU  33           HB1      LEU  33  10.352  -2.147  -5.569
  231    HG   LEU  33           HG       LEU  33  11.324  -0.611  -7.062
  232   HD11  LEU  33          HD11      LEU  33  12.387  -2.746  -7.081
  233   HD12  LEU  33          HD12      LEU  33  12.480  -2.016  -8.684
  234   HD13  LEU  33          HD13      LEU  33  11.321  -3.307  -8.369
  235   HD21  LEU  33          HD21      LEU  33   9.421  -0.035  -8.439
  236   HD22  LEU  33          HD22      LEU  33   9.459  -1.622  -9.208
  237   HD23  LEU  33          HD23      LEU  33  10.782  -0.485  -9.470
  238    H    ARG  34           HN       ARG  34   9.676  -5.438  -5.812
  239    HA   ARG  34           HA       ARG  34   7.215  -5.872  -4.407
  240    HB2  ARG  34           HB2      ARG  34   9.759  -7.491  -4.305
  241    HB3  ARG  34           HB1      ARG  34   8.129  -8.035  -3.904
  242    HG2  ARG  34           HG2      ARG  34   7.466  -7.559  -6.236
  243    HG3  ARG  34           HG1      ARG  34   9.151  -7.197  -6.582
  244    HD2  ARG  34           HD2      ARG  34   9.755  -9.487  -6.001
  245    HD3  ARG  34           HD1      ARG  34   8.060  -9.824  -5.630
  246    HE   ARG  34           HE       ARG  34   8.878  -8.980  -8.330
  247   HH11  ARG  34          HH11      ARG  34   7.040 -11.102  -6.198
  248   HH12  ARG  34          HH12      ARG  34   6.547 -12.153  -7.455
  249   HH21  ARG  34          HH21      ARG  34   8.122 -10.403 -10.075
  250   HH22  ARG  34          HH22      ARG  34   7.176 -11.757  -9.655
  251    H    PHE  35           HN       PHE  35   6.941  -5.996  -2.203
  252    HA   PHE  35           HA       PHE  35   8.253  -3.938  -0.812
  253    HB2  PHE  35           HB2      PHE  35   6.573  -6.101   0.479
  254    HB3  PHE  35           HB1      PHE  35   6.906  -4.469   1.071
  255    HD1  PHE  35           HD1      PHE  35   6.031  -2.527  -0.136
  256    HD2  PHE  35           HD2      PHE  35   4.760  -6.483  -0.974
  257    HE1  PHE  35           HE1      PHE  35   4.027  -1.641  -1.219
  258    HE2  PHE  35           HE2      PHE  35   2.736  -5.598  -2.069
  259    HZ   PHE  35           HZ       PHE  35   2.357  -3.308  -2.245
  260    H    GLU  36           HN       GLU  36   8.535  -7.413  -0.578
  261    HA   GLU  36           HA       GLU  36  10.406  -7.655   1.460
  262    HB2  GLU  36           HB2      GLU  36   9.285  -9.546   0.348
  263    HB3  GLU  36           HB1      GLU  36  10.239  -9.257  -1.097
  264    HG2  GLU  36           HG2      GLU  36  11.165 -11.101   0.131
  265    HG3  GLU  36           HG1      GLU  36  12.280  -9.734   0.193
  266    H    ASP  37           HN       ASP  37  10.812  -6.772  -1.875
  267    HA   ASP  37           HA       ASP  37  13.674  -7.010  -1.830
  268    HB2  ASP  37           HB2      ASP  37  12.357  -7.595  -3.820
  269    HB3  ASP  37           HB1      ASP  37  11.812  -5.929  -3.947
  270    H    ILE  38           HN       ILE  38  11.319  -4.536  -1.322
  271    HA   ILE  38           HA       ILE  38  13.409  -2.500  -1.385
  272    HB   ILE  38           HB       ILE  38  11.623  -0.802  -1.150
  273   HG12  ILE  38          HG12      ILE  38   9.734  -3.174  -1.253
  274   HG13  ILE  38          HG11      ILE  38  10.015  -2.154   0.147
  275   HG21  ILE  38          HG21      ILE  38  10.604  -1.119  -3.362
  276   HG22  ILE  38          HG22      ILE  38  11.152  -2.796  -3.360
  277   HG23  ILE  38          HG23      ILE  38  12.331  -1.483  -3.367
  278   HD11  ILE  38          HD11      ILE  38   9.058  -0.254  -1.055
  279   HD12  ILE  38          HD12      ILE  38   7.926  -1.603  -0.944
  280   HD13  ILE  38          HD13      ILE  38   8.778  -1.288  -2.456
  281    H    GLY  39           HN       GLY  39  12.811  -4.612   0.730
  282    HA2  GLY  39           HA2      GLY  39  13.552  -4.724   2.936
  283    HA3  GLY  39           HA1      GLY  39  13.807  -2.991   2.885
  284    H    TYR  40           HN       TYR  40  10.744  -4.621   2.258
  285    HA   TYR  40           HA       TYR  40   9.727  -3.373   4.694
  286    HB2  TYR  40           HB2      TYR  40   8.524  -3.776   2.004
  287    HB3  TYR  40           HB1      TYR  40   7.473  -3.806   3.408
  288    HD1  TYR  40           HD2      TYR  40  10.282  -1.752   2.091
  289    HD2  TYR  40           HD1      TYR  40   6.445  -1.792   3.908
  290    HE1  TYR  40           HE2      TYR  40  10.266   0.668   2.038
  291    HE2  TYR  40           HE1      TYR  40   6.388   0.657   3.865
  292    HH   TYR  40           HH       TYR  40   7.895   2.513   3.752
  293    H    ASP  41           HN       ASP  41   9.105  -4.647   6.226
  294    HA   ASP  41           HA       ASP  41   8.676  -7.483   5.772
  295    HB2  ASP  41           HB2      ASP  41   8.101  -5.884   8.268
  296    HB3  ASP  41           HB1      ASP  41   8.219  -7.618   8.139
  297    H    SER  42           HN       SER  42   6.641  -8.414   5.856
  298    HA   SER  42           HA       SER  42   4.484  -7.010   4.970
  299    HB2  SER  42           HB2      SER  42   3.145  -9.011   5.651
  300    HB3  SER  42           HB1      SER  42   4.602  -9.302   4.684
  301    HG   SER  42           HG       SER  42   5.186 -10.581   6.151
  302    H    LEU  43           HN       LEU  43   5.433  -7.450   8.315
  303    HA   LEU  43           HA       LEU  43   3.027  -6.502   9.475
  304    HB2  LEU  43           HB2      LEU  43   4.707  -7.645  10.813
  305    HB3  LEU  43           HB1      LEU  43   5.866  -6.371  10.508
  306    HG   LEU  43           HG       LEU  43   4.527  -4.813  11.855
  307   HD11  LEU  43          HD11      LEU  43   2.732  -7.184  12.362
  308   HD12  LEU  43          HD12      LEU  43   2.311  -5.730  11.453
  309   HD13  LEU  43          HD13      LEU  43   2.641  -5.627  13.183
  310   HD21  LEU  43          HD21      LEU  43   4.928  -5.854  14.035
  311   HD22  LEU  43          HD22      LEU  43   6.275  -6.120  12.931
  312   HD23  LEU  43          HD23      LEU  43   5.128  -7.420  13.249
  313    H    ALA  44           HN       ALA  44   5.963  -4.824   8.442
  314    HA   ALA  44           HA       ALA  44   5.127  -2.217   9.137
  315    HB1  ALA  44           HB1      ALA  44   7.473  -2.749   8.621
  316    HB2  ALA  44           HB2      ALA  44   6.881  -1.451   7.584
  317    HB3  ALA  44           HB3      ALA  44   7.030  -3.089   6.949
  318    H    LEU  45           HN       LEU  45   4.712  -4.224   6.337
  319    HA   LEU  45           HA       LEU  45   3.466  -2.353   4.655
  320    HB2  LEU  45           HB2      LEU  45   4.448  -4.441   3.881
  321    HB3  LEU  45           HB1      LEU  45   3.221  -5.352   4.732
  322    HG   LEU  45           HG       LEU  45   1.504  -4.444   3.241
  323   HD11  LEU  45          HD11      LEU  45   2.172  -3.156   1.285
  324   HD12  LEU  45          HD12      LEU  45   3.835  -3.110   1.884
  325   HD13  LEU  45          HD13      LEU  45   2.548  -2.295   2.780
  326   HD21  LEU  45          HD21      LEU  45   3.881  -5.598   1.819
  327   HD22  LEU  45          HD22      LEU  45   2.220  -5.608   1.224
  328   HD23  LEU  45          HD23      LEU  45   2.650  -6.525   2.679
  329    H    MET  46           HN       MET  46   2.109  -4.654   7.006
  330    HA   MET  46           HA       MET  46  -0.612  -4.081   6.472
  331    HB2  MET  46           HB2      MET  46   0.529  -4.962   9.143
  332    HB3  MET  46           HB1      MET  46  -1.157  -4.986   8.603
  333    HG2  MET  46           HG2      MET  46  -0.740  -6.689   7.031
  334    HG3  MET  46           HG1      MET  46   1.005  -6.554   7.247
  335    HE1  MET  46           HE1      MET  46   0.337 -10.079   8.743
  336    HE2  MET  46           HE2      MET  46   1.294  -9.126   7.609
  337    HE3  MET  46           HE3      MET  46  -0.430  -9.354   7.330
  338    H    GLU  47           HN       GLU  47   1.785  -2.474   8.366
  339    HA   GLU  47           HA       GLU  47   0.228  -0.729   9.951
  340    HB2  GLU  47           HB2      GLU  47   2.728  -1.164  10.034
  341    HB3  GLU  47           HB1      GLU  47   2.874  -0.147   8.613
  342    HG2  GLU  47           HG2      GLU  47   3.463   1.151  10.478
  343    HG3  GLU  47           HG1      GLU  47   1.866   1.705   9.960
  344    H    THR  48           HN       THR  48   1.212  -0.755   6.701
  345    HA   THR  48           HA       THR  48   0.691   1.922   5.880
  346    HB   THR  48           HB       THR  48   0.889  -0.659   4.299
  347    HG1  THR  48           HG1      THR  48   2.707   0.857   5.619
  348   HG21  THR  48          HG21      THR  48   1.567   0.779   2.436
  349   HG22  THR  48          HG22      THR  48   1.316   2.203   3.441
  350   HG23  THR  48          HG23      THR  48  -0.058   1.189   2.988
  351    H    ALA  49           HN       ALA  49  -0.791  -1.187   5.178
  352    HA   ALA  49           HA       ALA  49  -3.162  -0.374   4.017
  353    HB1  ALA  49           HB1      ALA  49  -2.301  -2.660   3.954
  354    HB2  ALA  49           HB2      ALA  49  -3.960  -2.627   4.556
  355    HB3  ALA  49           HB3      ALA  49  -2.619  -2.831   5.681
  356    H    ALA  50           HN       ALA  50  -2.315  -0.751   7.402
  357    HA   ALA  50           HA       ALA  50  -4.710  -0.739   8.534
  358    HB1  ALA  50           HB1      ALA  50  -2.224   0.529   9.636
  359    HB2  ALA  50           HB2      ALA  50  -2.711  -1.165   9.794
  360    HB3  ALA  50           HB3      ALA  50  -3.659   0.110  10.570
  361    H    ARG  51           HN       ARG  51  -2.652   2.029   7.763
  362    HA   ARG  51           HA       ARG  51  -4.428   4.014   8.745
  363    HB2  ARG  51           HB2      ARG  51  -2.129   4.311   6.796
  364    HB3  ARG  51           HB1      ARG  51  -2.979   5.644   7.575
  365    HG2  ARG  51           HG2      ARG  51  -2.280   4.758   9.771
  366    HG3  ARG  51           HG1      ARG  51  -1.360   3.510   8.939
  367    HD2  ARG  51           HD2      ARG  51  -0.017   5.246   7.841
  368    HD3  ARG  51           HD1      ARG  51  -0.913   6.488   8.717
  369    HE   ARG  51           HE       ARG  51   0.279   4.472  10.386
  370   HH11  ARG  51          HH11      ARG  51   0.664   7.775   9.097
  371   HH12  ARG  51          HH12      ARG  51   2.024   8.110  10.040
  372   HH21  ARG  51          HH21      ARG  51   2.145   4.975  11.666
  373   HH22  ARG  51          HH22      ARG  51   2.904   6.497  11.477
  374    H    LEU  52           HN       LEU  52  -4.094   2.457   5.593
  375    HA   LEU  52           HA       LEU  52  -5.786   4.134   4.177
  376    HB2  LEU  52           HB2      LEU  52  -4.924   1.290   4.008
  377    HB3  LEU  52           HB1      LEU  52  -6.181   1.867   2.945
  378    HG   LEU  52           HG       LEU  52  -3.955   1.775   1.992
  379   HD11  LEU  52          HD11      LEU  52  -5.649   3.273   1.064
  380   HD12  LEU  52          HD12      LEU  52  -4.069   4.031   0.934
  381   HD13  LEU  52          HD13      LEU  52  -5.184   4.530   2.205
  382   HD21  LEU  52          HD21      LEU  52  -3.310   4.060   3.835
  383   HD22  LEU  52          HD22      LEU  52  -2.309   3.545   2.476
  384   HD23  LEU  52          HD23      LEU  52  -2.573   2.460   3.840
  385    H    GLU  53           HN       GLU  53  -6.376   1.209   6.062
  386    HA   GLU  53           HA       GLU  53  -9.128   0.978   5.716
  387    HB2  GLU  53           HB2      GLU  53  -7.520   0.354   8.178
  388    HB3  GLU  53           HB1      GLU  53  -9.153  -0.197   7.861
  389    HG2  GLU  53           HG2      GLU  53  -8.314  -1.450   5.928
  390    HG3  GLU  53           HG1      GLU  53  -6.675  -0.930   6.336
  391    H    SER  54           HN       SER  54  -7.302   2.636   8.259
  392    HA   SER  54           HA       SER  54  -9.578   3.587   9.563
  393    HB2  SER  54           HB2      SER  54  -7.852   5.207  10.628
  394    HB3  SER  54           HB1      SER  54  -7.672   3.471  10.889
  395    HG   SER  54           HG       SER  54  -5.819   3.697  10.142
  396    H    ARG  55           HN       ARG  55  -7.434   5.337   7.301
  397    HA   ARG  55           HA       ARG  55  -8.849   7.778   7.466
  398    HB2  ARG  55           HB2      ARG  55  -6.525   7.586   6.618
  399    HB3  ARG  55           HB1      ARG  55  -7.153   6.828   5.158
  400    HG2  ARG  55           HG2      ARG  55  -8.554   8.911   4.845
  401    HG3  ARG  55           HG1      ARG  55  -7.579   9.640   6.117
  402    HD2  ARG  55           HD2      ARG  55  -6.548   8.516   3.519
  403    HD3  ARG  55           HD1      ARG  55  -6.799  10.220   3.866
  404    HE   ARG  55           HE       ARG  55  -5.092   9.176   5.804
  405   HH11  ARG  55          HH11      ARG  55  -5.069   9.691   2.278
  406   HH12  ARG  55          HH12      ARG  55  -3.410  10.049   2.181
  407   HH21  ARG  55          HH21      ARG  55  -2.787   9.763   5.666
  408   HH22  ARG  55          HH22      ARG  55  -2.104  10.134   4.136
  409    H    TYR  56           HN       TYR  56  -9.050   5.159   5.042
  410    HA   TYR  56           HA       TYR  56 -10.988   6.763   3.577
  411    HB2  TYR  56           HB2      TYR  56  -9.544   4.228   2.822
  412    HB3  TYR  56           HB1      TYR  56 -10.691   5.034   1.765
  413    HD1  TYR  56           HD1      TYR  56 -10.168   7.318   0.913
  414    HD2  TYR  56           HD2      TYR  56  -7.325   5.011   3.064
  415    HE1  TYR  56           HE1      TYR  56  -8.371   8.776   0.093
  416    HE2  TYR  56           HE2      TYR  56  -5.523   6.459   2.244
  417    HH   TYR  56           HH       TYR  56  -5.091   7.993   0.354
  418    H    GLY  57           HN       GLY  57 -11.007   4.141   5.748
  419    HA2  GLY  57           HA2      GLY  57 -12.897   3.193   6.691
  420    HA3  GLY  57           HA1      GLY  57 -13.878   3.976   5.453
  421    H    VAL  58           HN       VAL  58 -11.432   1.471   5.801
  422    HA   VAL  58           HA       VAL  58 -13.070  -0.252   4.175
  423    HB   VAL  58           HB       VAL  58 -11.439   0.922   2.628
  424   HG11  VAL  58          HG11      VAL  58  -9.098   0.273   2.575
  425   HG12  VAL  58          HG12      VAL  58  -9.319  -0.566   4.107
  426   HG13  VAL  58          HG13      VAL  58  -9.551   1.182   4.017
  427   HG21  VAL  58          HG21      VAL  58 -12.362  -1.198   1.914
  428   HG22  VAL  58          HG22      VAL  58 -11.093  -2.074   2.776
  429   HG23  VAL  58          HG23      VAL  58 -10.684  -1.072   1.384
  430    H    SER  59           HN       SER  59 -11.856  -2.557   4.218
  431    HA   SER  59           HA       SER  59 -10.499  -2.906   6.746
  432    HB2  SER  59           HB2      SER  59 -12.069  -4.962   7.067
  433    HB3  SER  59           HB1      SER  59 -12.677  -3.361   7.485
  434    HG   SER  59           HG       SER  59 -13.404  -5.078   5.415
  435    H    ILE  60           HN       ILE  60  -8.684  -3.765   6.216
  436    HA   ILE  60           HA       ILE  60  -8.541  -5.597   3.921
  437    HB   ILE  60           HB       ILE  60  -6.292  -4.025   5.219
  438   HG12  ILE  60          HG12      ILE  60  -7.677  -3.495   2.573
  439   HG13  ILE  60          HG11      ILE  60  -7.951  -2.574   4.047
  440   HG21  ILE  60          HG21      ILE  60  -4.994  -4.693   3.239
  441   HG22  ILE  60          HG22      ILE  60  -6.364  -5.641   2.662
  442   HG23  ILE  60          HG23      ILE  60  -5.547  -6.097   4.156
  443   HD11  ILE  60          HD11      ILE  60  -5.610  -1.888   4.042
  444   HD12  ILE  60          HD12      ILE  60  -6.427  -1.407   2.546
  445   HD13  ILE  60          HD13      ILE  60  -5.343  -2.803   2.566
  446    HA   PRO  61           HA       PRO  61  -7.974  -8.626   7.198
  447    HB2  PRO  61           HB2      PRO  61  -7.525 -10.680   5.359
  448    HB3  PRO  61           HB1      PRO  61  -9.094 -10.238   6.037
  449    HG2  PRO  61           HG2      PRO  61  -7.913  -9.579   3.397
  450    HG3  PRO  61           HG1      PRO  61  -9.606  -9.839   3.841
  451    HD2  PRO  61           HD2      PRO  61  -8.534  -7.388   3.374
  452    HD3  PRO  61           HD1      PRO  61  -9.891  -7.645   4.481
  453    H    ASP  62           HN       ASP  62  -6.182  -9.069   8.202
  454    HA   ASP  62           HA       ASP  62  -3.667  -8.167   7.577
  455    HB2  ASP  62           HB2      ASP  62  -4.355 -10.476   9.412
  456    HB3  ASP  62           HB1      ASP  62  -2.854  -9.564   9.428
  457    H    ASP  63           HN       ASP  63  -5.012 -11.376   7.024
  458    HA   ASP  63           HA       ASP  63  -2.563 -12.606   6.274
  459    HB2  ASP  63           HB2      ASP  63  -4.472 -13.969   6.969
  460    HB3  ASP  63           HB1      ASP  63  -5.390 -13.430   5.567
  461    H    VAL  64           HN       VAL  64  -5.044 -10.986   4.428
  462    HA   VAL  64           HA       VAL  64  -3.844 -11.612   1.893
  463    HB   VAL  64           HB       VAL  64  -5.946  -9.506   2.560
  464   HG11  VAL  64          HG11      VAL  64  -6.489  -9.564   0.169
  465   HG12  VAL  64          HG12      VAL  64  -5.159 -10.689  -0.109
  466   HG13  VAL  64          HG13      VAL  64  -4.823  -9.045   0.433
  467   HG21  VAL  64          HG21      VAL  64  -6.697 -11.760   3.121
  468   HG22  VAL  64          HG22      VAL  64  -6.271 -12.317   1.504
  469   HG23  VAL  64          HG23      VAL  64  -7.565 -11.143   1.717
  470    H    ALA  65           HN       ALA  65  -3.882  -8.880   4.115
  471    HA   ALA  65           HA       ALA  65  -2.386  -7.040   2.648
  472    HB1  ALA  65           HB1      ALA  65  -2.393  -7.439   5.644
  473    HB2  ALA  65           HB2      ALA  65  -3.563  -6.483   4.733
  474    HB3  ALA  65           HB3      ALA  65  -1.871  -5.984   4.791
  475    H    GLY  66           HN       GLY  66  -1.336  -9.739   4.656
  476    HA2  GLY  66           HA2      GLY  66   1.463  -9.108   4.219
  477    HA3  GLY  66           HA1      GLY  66   0.828 -10.459   5.144
  478    H    ARG  67           HN       ARG  67  -0.767 -10.346   2.248
  479    HA   ARG  67           HA       ARG  67   0.967 -12.431   1.152
  480    HB2  ARG  67           HB2      ARG  67  -1.310 -13.153   1.578
  481    HB3  ARG  67           HB1      ARG  67  -1.946 -11.821   0.640
  482    HG2  ARG  67           HG2      ARG  67  -2.132 -13.888  -0.607
  483    HG3  ARG  67           HG1      ARG  67  -0.988 -12.815  -1.401
  484    HD2  ARG  67           HD2      ARG  67  -0.170 -15.067   0.442
  485    HD3  ARG  67           HD1      ARG  67  -0.332 -15.248  -1.298
  486    HE   ARG  67           HE       ARG  67   1.344 -13.108  -0.893
  487   HH11  ARG  67          HH11      ARG  67   1.409 -16.588  -0.251
  488   HH12  ARG  67          HH12      ARG  67   3.112 -16.717  -0.263
  489   HH21  ARG  67          HH21      ARG  67   3.670 -13.249  -0.851
  490   HH22  ARG  67          HH22      ARG  67   4.451 -14.732  -0.593
  491    H    VAL  68           HN       VAL  68  -0.232  -9.243   0.511
  492    HA   VAL  68           HA       VAL  68   0.232  -9.382  -2.297
  493    HB   VAL  68           HB       VAL  68  -0.034  -6.861  -2.253
  494   HG11  VAL  68          HG11      VAL  68  -2.409  -6.886  -1.652
  495   HG12  VAL  68          HG12      VAL  68  -2.187  -8.452  -0.864
  496   HG13  VAL  68          HG13      VAL  68  -1.953  -8.299  -2.606
  497   HG21  VAL  68          HG21      VAL  68   0.820  -6.426   0.009
  498   HG22  VAL  68          HG22      VAL  68  -0.551  -7.298   0.696
  499   HG23  VAL  68          HG23      VAL  68  -0.814  -5.793  -0.182
  500    H    ASP  69           HN       ASP  69   2.091  -9.764  -3.014
  501    HA   ASP  69           HA       ASP  69   4.569  -8.923  -1.683
  502    HB2  ASP  69           HB2      ASP  69   4.326 -11.234  -2.557
  503    HB3  ASP  69           HB1      ASP  69   4.082 -10.588  -4.158
  504    H    THR  70           HN       THR  70   2.644  -7.989  -4.324
  505    HA   THR  70           HA       THR  70   4.732  -6.109  -5.083
  506    HB   THR  70           HB       THR  70   3.765  -6.237  -7.410
  507    HG1  THR  70           HG1      THR  70   2.658  -8.673  -6.457
  508   HG21  THR  70          HG21      THR  70   4.852  -8.454  -7.894
  509   HG22  THR  70          HG22      THR  70   5.053  -8.630  -6.128
  510   HG23  THR  70          HG23      THR  70   5.800  -7.272  -6.998
  511    HA   PRO  71           HA       PRO  71   1.915  -2.865  -4.054
  512    HB2  PRO  71           HB2      PRO  71   3.175  -1.541  -6.400
  513    HB3  PRO  71           HB1      PRO  71   2.968  -0.947  -4.748
  514    HG2  PRO  71           HG2      PRO  71   5.340  -1.775  -5.545
  515    HG3  PRO  71           HG1      PRO  71   4.742  -2.207  -3.932
  516    HD2  PRO  71           HD2      PRO  71   4.877  -3.876  -6.408
  517    HD3  PRO  71           HD1      PRO  71   5.217  -4.324  -4.724
  518    H    ARG  72           HN       ARG  72   2.261  -3.817  -7.421
  519    HA   ARG  72           HA       ARG  72  -0.044  -2.700  -8.456
  520    HB2  ARG  72           HB2      ARG  72  -0.052  -4.671 -10.074
  521    HB3  ARG  72           HB1      ARG  72   1.407  -3.696 -10.013
  522    HG2  ARG  72           HG2      ARG  72   2.471  -5.394  -8.608
  523    HG3  ARG  72           HG1      ARG  72   1.006  -6.369  -8.683
  524    HD2  ARG  72           HD2      ARG  72   2.774  -7.094 -10.278
  525    HD3  ARG  72           HD1      ARG  72   1.242  -6.651 -11.041
  526    HE   ARG  72           HE       ARG  72   2.260  -4.548 -11.667
  527   HH11  ARG  72          HH11      ARG  72   4.603  -7.097 -10.752
  528   HH12  ARG  72          HH12      ARG  72   5.848  -6.427 -11.696
  529   HH21  ARG  72          HH21      ARG  72   3.865  -3.775 -12.968
  530   HH22  ARG  72          HH22      ARG  72   5.401  -4.548 -13.113
  531    H    GLU  73           HN       GLU  73   0.234  -5.781  -6.724
  532    HA   GLU  73           HA       GLU  73  -2.449  -6.610  -6.927
  533    HB2  GLU  73           HB2      GLU  73  -0.338  -7.143  -4.843
  534    HB3  GLU  73           HB1      GLU  73  -1.882  -7.972  -4.912
  535    HG2  GLU  73           HG2      GLU  73   0.155  -7.995  -7.116
  536    HG3  GLU  73           HG1      GLU  73   0.020  -9.232  -5.865
  537    H    LEU  74           HN       LEU  74  -0.687  -4.748  -4.551
  538    HA   LEU  74           HA       LEU  74  -2.763  -4.570  -2.622
  539    HB2  LEU  74           HB2      LEU  74  -0.235  -4.280  -2.320
  540    HB3  LEU  74           HB1      LEU  74  -0.434  -2.676  -2.969
  541    HG   LEU  74           HG       LEU  74  -1.698  -3.651  -0.379
  542   HD11  LEU  74          HD11      LEU  74   0.714  -1.940  -0.831
  543   HD12  LEU  74          HD12      LEU  74   0.698  -3.612  -0.264
  544   HD13  LEU  74          HD13      LEU  74  -0.027  -2.338   0.724
  545   HD21  LEU  74          HD21      LEU  74  -1.406  -0.876  -1.508
  546   HD22  LEU  74          HD22      LEU  74  -2.107  -1.303   0.057
  547   HD23  LEU  74          HD23      LEU  74  -2.906  -1.799  -1.436
  548    H    LEU  75           HN       LEU  75  -1.589  -2.328  -5.115
  549    HA   LEU  75           HA       LEU  75  -3.306  -0.183  -4.624
  550    HB2  LEU  75           HB2      LEU  75  -1.324  -0.197  -6.168
  551    HB3  LEU  75           HB1      LEU  75  -2.289  -1.103  -7.314
  552    HG   LEU  75           HG       LEU  75  -3.881   0.806  -7.409
  553   HD11  LEU  75          HD11      LEU  75  -3.410   1.766  -5.240
  554   HD12  LEU  75          HD12      LEU  75  -3.167   2.959  -6.516
  555   HD13  LEU  75          HD13      LEU  75  -1.778   2.181  -5.758
  556   HD21  LEU  75          HD21      LEU  75  -2.440   2.252  -8.761
  557   HD22  LEU  75          HD22      LEU  75  -2.140   0.547  -9.102
  558   HD23  LEU  75          HD23      LEU  75  -1.014   1.455  -8.097
  559    H    ASP  76           HN       ASP  76  -3.676  -2.991  -6.730
  560    HA   ASP  76           HA       ASP  76  -6.230  -2.392  -7.740
  561    HB2  ASP  76           HB2      ASP  76  -4.867  -4.070  -8.824
  562    HB3  ASP  76           HB1      ASP  76  -4.822  -5.044  -7.362
  563    H    LEU  77           HN       LEU  77  -5.161  -4.246  -4.951
  564    HA   LEU  77           HA       LEU  77  -7.564  -5.335  -4.114
  565    HB2  LEU  77           HB2      LEU  77  -5.382  -5.981  -3.235
  566    HB3  LEU  77           HB1      LEU  77  -5.208  -4.420  -2.470
  567    HG   LEU  77           HG       LEU  77  -7.162  -4.979  -1.019
  568   HD11  LEU  77          HD11      LEU  77  -6.859  -7.710  -2.250
  569   HD12  LEU  77          HD12      LEU  77  -8.235  -6.623  -2.441
  570   HD13  LEU  77          HD13      LEU  77  -7.868  -7.309  -0.858
  571   HD21  LEU  77          HD21      LEU  77  -4.881  -5.248  -0.223
  572   HD22  LEU  77          HD22      LEU  77  -4.819  -6.874  -0.911
  573   HD23  LEU  77          HD23      LEU  77  -5.920  -6.520   0.422
  574    H    ILE  78           HN       ILE  78  -6.066  -2.276  -3.039
  575    HA   ILE  78           HA       ILE  78  -8.275  -1.661  -1.351
  576    HB   ILE  78           HB       ILE  78  -6.240   0.349  -2.398
  577   HG12  ILE  78          HG12      ILE  78  -6.240  -1.411   0.075
  578   HG13  ILE  78          HG11      ILE  78  -5.138  -1.550  -1.284
  579   HG21  ILE  78          HG21      ILE  78  -6.847   1.622  -0.393
  580   HG22  ILE  78          HG22      ILE  78  -8.047   0.397   0.024
  581   HG23  ILE  78          HG23      ILE  78  -8.252   1.365  -1.433
  582   HD11  ILE  78          HD11      ILE  78  -4.059  -0.512   0.595
  583   HD12  ILE  78          HD12      ILE  78  -5.302   0.742   0.654
  584   HD13  ILE  78          HD13      ILE  78  -4.208   0.647  -0.728
  585    H    ASN  79           HN       ASN  79  -7.370  -0.529  -4.593
  586    HA   ASN  79           HA       ASN  79  -9.551   1.223  -5.007
  587    HB2  ASN  79           HB2      ASN  79  -7.799  -0.362  -6.888
  588    HB3  ASN  79           HB1      ASN  79  -9.235   0.411  -7.527
  589   HD21  ASN  79          HD21      ASN  79  -6.072   0.935  -6.160
  590   HD22  ASN  79          HD22      ASN  79  -5.919   2.587  -6.674
  591    H    GLY  80           HN       GLY  80  -9.313  -2.261  -5.521
  592    HA2  GLY  80           HA2      GLY  80 -11.898  -2.594  -6.622
  593    HA3  GLY  80           HA1      GLY  80 -10.900  -3.858  -5.918
  594    H    ALA  81           HN       ALA  81 -10.672  -3.019  -3.313
  595    HA   ALA  81           HA       ALA  81 -13.137  -3.872  -2.236
  596    HB1  ALA  81           HB1      ALA  81 -12.111  -3.483  -0.050
  597    HB2  ALA  81           HB2      ALA  81 -10.801  -2.582  -0.812
  598    HB3  ALA  81           HB3      ALA  81 -10.988  -4.306  -1.130
  599    H    LEU  82           HN       LEU  82 -11.652  -0.699  -2.599
  600    HA   LEU  82           HA       LEU  82 -13.620   0.705  -1.150
  601    HB2  LEU  82           HB2      LEU  82 -11.560   1.457  -3.161
  602    HB3  LEU  82           HB1      LEU  82 -12.639   2.689  -2.601
  603    HG   LEU  82           HG       LEU  82 -10.613   1.118  -0.994
  604   HD11  LEU  82          HD11      LEU  82  -9.689   2.932  -2.307
  605   HD12  LEU  82          HD12      LEU  82  -9.623   3.315  -0.586
  606   HD13  LEU  82          HD13      LEU  82 -10.855   4.053  -1.608
  607   HD21  LEU  82          HD21      LEU  82 -12.617   1.407   0.362
  608   HD22  LEU  82          HD22      LEU  82 -12.626   3.133   0.003
  609   HD23  LEU  82          HD23      LEU  82 -11.311   2.438   0.951
  610    H    ALA  83           HN       ALA  83 -13.279  -0.142  -4.553
  611    HA   ALA  83           HA       ALA  83 -15.485   1.297  -5.522
  612    HB1  ALA  83           HB1      ALA  83 -13.754   0.351  -6.979
  613    HB2  ALA  83           HB2      ALA  83 -15.367  -0.168  -7.466
  614    HB3  ALA  83           HB3      ALA  83 -14.313  -1.273  -6.581
  615    H    GLU  84           HN       GLU  84 -15.183  -1.983  -4.272
  616    HA   GLU  84           HA       GLU  84 -18.002  -2.456  -4.589
  617    HB2  GLU  84           HB2      GLU  84 -15.754  -4.137  -3.547
  618    HB3  GLU  84           HB1      GLU  84 -17.431  -4.651  -3.411
  619    HG2  GLU  84           HG2      GLU  84 -15.991  -4.000  -5.971
  620    HG3  GLU  84           HG1      GLU  84 -16.350  -5.618  -5.362
  621    H    ALA  85           HN       ALA  85 -16.709  -0.502  -2.541
  622    HA   ALA  85           HA       ALA  85 -18.156  -1.451  -0.208
  623    HB1  ALA  85           HB1      ALA  85 -16.583   1.113  -0.601
  624    HB2  ALA  85           HB2      ALA  85 -15.987  -0.346   0.191
  625    HB3  ALA  85           HB3      ALA  85 -17.307   0.576   0.916
  626    H    ALA  86           HN       ALA  86 -20.113  -1.482  -1.446
  627    HA   ALA  86           HA       ALA  86 -21.354   1.151  -1.599
  628    HB1  ALA  86           HB1      ALA  86 -21.657  -1.067  -3.630
  629    HB2  ALA  86           HB2      ALA  86 -20.761   0.436  -3.865
  630    HB3  ALA  86           HB3      ALA  86 -22.507   0.479  -3.649
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1 -15.552   7.050  -5.010
    2    H2   MET   1           HT2      MET   1 -17.111   6.418  -4.934
    3    H3   MET   1           HT3      MET   1 -16.004   6.087  -3.691
    4    HA   MET   1           HA       MET   1 -17.046   8.745  -4.425
    5    HB2  MET   1           HB2      MET   1 -17.628   7.032  -1.993
    6    HB3  MET   1           HB1      MET   1 -18.161   8.695  -2.202
    7    HG2  MET   1           HG2      MET   1 -19.476   8.007  -4.160
    8    HG3  MET   1           HG1      MET   1 -18.966   6.343  -3.901
    9    HE1  MET   1           HE1      MET   1 -19.977   9.103  -1.259
   10    HE2  MET   1           HE2      MET   1 -21.694   8.747  -1.048
   11    HE3  MET   1           HE3      MET   1 -21.100   9.342  -2.597
   12    H    ALA   2           HN       ALA   2 -15.224   6.868  -1.992
   13    HA   ALA   2           HA       ALA   2 -13.965   9.169  -0.913
   14    HB1  ALA   2           HB1      ALA   2 -14.203   7.086   0.364
   15    HB2  ALA   2           HB2      ALA   2 -12.508   7.555   0.226
   16    HB3  ALA   2           HB3      ALA   2 -13.150   6.257  -0.786
   17    H    THR   3           HN       THR   3 -11.635   9.646  -1.117
   18    HA   THR   3           HA       THR   3 -10.755   9.590  -3.865
   19    HB   THR   3           HB       THR   3  -8.699  10.609  -2.779
   20    HG1  THR   3           HG1      THR   3  -9.090   9.648  -0.750
   21   HG21  THR   3          HG21      THR   3 -10.486  12.005  -3.725
   22   HG22  THR   3          HG22      THR   3  -9.792  12.748  -2.285
   23   HG23  THR   3          HG23      THR   3 -11.352  11.930  -2.190
   24    H    LEU   4           HN       LEU   4 -10.242   7.991  -4.721
   25    HA   LEU   4           HA       LEU   4  -9.388   5.633  -3.480
   26    HB2  LEU   4           HB2      LEU   4 -10.769   5.962  -5.570
   27    HB3  LEU   4           HB1      LEU   4  -9.261   6.444  -6.332
   28    HG   LEU   4           HG       LEU   4  -8.329   4.312  -5.885
   29   HD11  LEU   4          HD11      LEU   4  -9.847   2.443  -5.192
   30   HD12  LEU   4          HD12      LEU   4 -11.096   3.640  -4.857
   31   HD13  LEU   4          HD13      LEU   4  -9.596   3.649  -3.930
   32   HD21  LEU   4          HD21      LEU   4  -9.668   3.066  -7.555
   33   HD22  LEU   4          HD22      LEU   4  -9.381   4.740  -8.023
   34   HD23  LEU   4          HD23      LEU   4 -10.951   4.261  -7.376
   35    H    LEU   5           HN       LEU   5  -7.384   4.565  -4.164
   36    HA   LEU   5           HA       LEU   5  -5.157   6.373  -3.791
   37    HB2  LEU   5           HB2      LEU   5  -5.355   3.385  -3.704
   38    HB3  LEU   5           HB1      LEU   5  -3.920   4.316  -3.335
   39    HG   LEU   5           HG       LEU   5  -6.502   4.354  -1.763
   40   HD11  LEU   5          HD11      LEU   5  -5.187   3.244  -0.034
   41   HD12  LEU   5          HD12      LEU   5  -3.806   3.178  -1.125
   42   HD13  LEU   5          HD13      LEU   5  -5.272   2.273  -1.503
   43   HD21  LEU   5          HD21      LEU   5  -3.860   5.705  -1.230
   44   HD22  LEU   5          HD22      LEU   5  -5.251   5.681  -0.144
   45   HD23  LEU   5          HD23      LEU   5  -5.360   6.507  -1.700
   46    H    THR   6           HN       THR   6  -3.918   6.931  -5.476
   47    HA   THR   6           HA       THR   6  -3.784   5.167  -7.797
   48    HB   THR   6           HB       THR   6  -2.405   6.962  -8.797
   49    HG1  THR   6           HG1      THR   6  -2.924   8.496  -6.452
   50   HG21  THR   6          HG21      THR   6  -4.927   8.058  -7.521
   51   HG22  THR   6          HG22      THR   6  -4.851   7.152  -9.031
   52   HG23  THR   6          HG23      THR   6  -4.106   8.746  -8.923
   53    H    THR   7           HN       THR   7  -1.255   5.178  -8.575
   54    HA   THR   7           HA       THR   7   0.232   3.736  -6.774
   55    HB   THR   7           HB       THR   7   1.391   5.457  -8.991
   56    HG1  THR   7           HG1      THR   7   1.040   3.449 -10.218
   57   HG21  THR   7          HG21      THR   7   3.042   3.642  -9.125
   58   HG22  THR   7          HG22      THR   7   2.228   2.794  -7.809
   59   HG23  THR   7          HG23      THR   7   3.019   4.341  -7.506
   60    H    ASP   8           HN       ASP   8   0.031   7.247  -7.216
   61    HA   ASP   8           HA       ASP   8   2.344   7.765  -5.560
   62    HB2  ASP   8           HB2      ASP   8   1.734   9.302  -7.420
   63    HB3  ASP   8           HB1      ASP   8   0.271   9.741  -6.544
   64    H    ASP   9           HN       ASP   9  -1.116   7.717  -5.143
   65    HA   ASP   9           HA       ASP   9  -1.169   8.825  -2.515
   66    HB2  ASP   9           HB2      ASP   9  -3.072   6.828  -3.782
   67    HB3  ASP   9           HB1      ASP   9  -3.333   7.584  -2.220
   68    H    LEU  10           HN       LEU  10  -0.900   5.583  -3.786
   69    HA   LEU  10           HA       LEU  10  -0.790   4.182  -1.341
   70    HB2  LEU  10           HB2      LEU  10  -1.133   3.355  -3.770
   71    HB3  LEU  10           HB1      LEU  10   0.614   3.363  -3.870
   72    HG   LEU  10           HG       LEU  10   0.632   1.823  -1.887
   73   HD11  LEU  10          HD11      LEU  10  -1.451   0.584  -1.452
   74   HD12  LEU  10          HD12      LEU  10  -2.304   1.673  -2.549
   75   HD13  LEU  10          HD13      LEU  10  -1.596   2.299  -1.065
   76   HD21  LEU  10          HD21      LEU  10   0.102  -0.153  -3.247
   77   HD22  LEU  10          HD22      LEU  10   1.023   1.038  -4.166
   78   HD23  LEU  10          HD23      LEU  10  -0.714   0.879  -4.421
   79    H    ARG  11           HN       ARG  11   1.603   5.533  -3.505
   80    HA   ARG  11           HA       ARG  11   4.027   4.813  -2.526
   81    HB2  ARG  11           HB2      ARG  11   3.700   6.136  -4.504
   82    HB3  ARG  11           HB1      ARG  11   3.096   7.475  -3.556
   83    HG2  ARG  11           HG2      ARG  11   5.345   7.694  -2.553
   84    HG3  ARG  11           HG1      ARG  11   5.906   6.437  -3.669
   85    HD2  ARG  11           HD2      ARG  11   5.079   7.788  -5.552
   86    HD3  ARG  11           HD1      ARG  11   4.649   9.065  -4.418
   87    HE   ARG  11           HE       ARG  11   7.361   8.247  -4.235
   88   HH11  ARG  11          HH11      ARG  11   5.075  10.483  -5.771
   89   HH12  ARG  11          HH12      ARG  11   6.271  11.515  -6.390
   90   HH21  ARG  11          HH21      ARG  11   9.035   9.600  -5.196
   91   HH22  ARG  11          HH22      ARG  11   8.618  10.942  -6.143
   92    H    ARG  12           HN       ARG  12   2.287   7.791  -1.545
   93    HA   ARG  12           HA       ARG  12   4.086   8.489   0.477
   94    HB2  ARG  12           HB2      ARG  12   1.188   9.237   0.213
   95    HB3  ARG  12           HB1      ARG  12   2.255   9.896   1.444
   96    HG2  ARG  12           HG2      ARG  12   3.729  10.680  -0.383
   97    HG3  ARG  12           HG1      ARG  12   2.462  10.217  -1.530
   98    HD2  ARG  12           HD2      ARG  12   2.249  12.559  -1.021
   99    HD3  ARG  12           HD1      ARG  12   0.900  11.691  -0.294
  100    HE   ARG  12           HE       ARG  12   2.833  11.812   1.653
  101   HH11  ARG  12          HH11      ARG  12   1.042  14.192  -0.257
  102   HH12  ARG  12          HH12      ARG  12   1.086  15.407   0.952
  103   HH21  ARG  12          HH21      ARG  12   2.844  13.487   3.371
  104   HH22  ARG  12          HH22      ARG  12   2.170  14.990   3.047
  105    H    ALA  13           HN       ALA  13   1.310   6.400   0.600
  106    HA   ALA  13           HA       ALA  13   1.098   6.227   3.391
  107    HB1  ALA  13           HB1      ALA  13   0.430   4.134   1.319
  108    HB2  ALA  13           HB2      ALA  13  -0.646   5.413   1.878
  109    HB3  ALA  13           HB3      ALA  13  -0.131   4.145   2.991
  110    H    LEU  14           HN       LEU  14   2.927   4.294   1.050
  111    HA   LEU  14           HA       LEU  14   4.108   2.638   3.005
  112    HB2  LEU  14           HB2      LEU  14   4.827   3.200   0.161
  113    HB3  LEU  14           HB1      LEU  14   5.943   2.330   1.182
  114    HG   LEU  14           HG       LEU  14   4.078   0.669   1.593
  115   HD11  LEU  14          HD11      LEU  14   2.331   0.515  -0.081
  116   HD12  LEU  14          HD12      LEU  14   2.842   2.072  -0.755
  117   HD13  LEU  14          HD13      LEU  14   2.208   1.979   0.894
  118   HD21  LEU  14          HD21      LEU  14   4.480  -0.461  -0.564
  119   HD22  LEU  14          HD22      LEU  14   5.939   0.162   0.215
  120   HD23  LEU  14          HD23      LEU  14   5.221   1.046  -1.133
  121    H    VAL  15           HN       VAL  15   5.203   5.630   1.516
  122    HA   VAL  15           HA       VAL  15   7.773   5.793   2.628
  123    HB   VAL  15           HB       VAL  15   5.802   8.061   2.129
  124   HG11  VAL  15          HG11      VAL  15   7.568   8.777   3.663
  125   HG12  VAL  15          HG12      VAL  15   7.761   9.542   2.089
  126   HG13  VAL  15          HG13      VAL  15   8.795   8.187   2.543
  127   HG21  VAL  15          HG21      VAL  15   6.327   6.779   0.127
  128   HG22  VAL  15          HG22      VAL  15   8.053   6.986   0.430
  129   HG23  VAL  15          HG23      VAL  15   7.050   8.385   0.046
  130    H    GLU  16           HN       GLU  16   4.749   6.993   3.961
  131    HA   GLU  16           HA       GLU  16   5.789   7.939   6.378
  132    HB2  GLU  16           HB2      GLU  16   2.999   6.979   5.792
  133    HB3  GLU  16           HB1      GLU  16   3.482   7.995   7.142
  134    HG2  GLU  16           HG2      GLU  16   3.697   8.714   4.239
  135    HG3  GLU  16           HG1      GLU  16   2.440   9.271   5.328
  136    H    SER  17           HN       SER  17   4.748   4.700   5.442
  137    HA   SER  17           HA       SER  17   4.765   3.879   8.230
  138    HB2  SER  17           HB2      SER  17   3.873   1.700   7.262
  139    HB3  SER  17           HB1      SER  17   2.842   3.123   7.083
  140    HG   SER  17           HG       SER  17   3.357   3.251   4.979
  141    H    ALA  18           HN       ALA  18   6.996   4.127   5.848
  142    HA   ALA  18           HA       ALA  18   8.395   1.682   6.006
  143    HB1  ALA  18           HB1      ALA  18  10.266   2.887   5.000
  144    HB2  ALA  18           HB2      ALA  18   9.482   4.425   5.353
  145    HB3  ALA  18           HB3      ALA  18   8.751   3.307   4.202
  146    H    GLY  19           HN       GLY  19   8.259   4.424   8.064
  147    HA2  GLY  19           HA2      GLY  19   8.931   3.596  10.409
  148    HA3  GLY  19           HA1      GLY  19  10.508   3.398   9.657
  149    H    GLU  20           HN       GLU  20  11.546   5.286   8.820
  150    HA   GLU  20           HA       GLU  20  11.176   7.545  10.669
  151    HB2  GLU  20           HB2      GLU  20  13.456   6.763   8.840
  152    HB3  GLU  20           HB1      GLU  20  13.462   8.151   9.916
  153    HG2  GLU  20           HG2      GLU  20  13.230   5.282  10.781
  154    HG3  GLU  20           HG1      GLU  20  14.710   6.242  10.809
  155    H    THR  21           HN       THR  21   9.562   7.017   8.298
  156    HA   THR  21           HA       THR  21   8.853   7.767   6.310
  157    HB   THR  21           HB       THR  21   8.664  10.169   5.991
  158    HG1  THR  21           HG1      THR  21  10.471  10.245   8.044
  159   HG21  THR  21          HG21      THR  21   7.752   9.179   8.689
  160   HG22  THR  21          HG22      THR  21   6.898   9.023   7.154
  161   HG23  THR  21          HG23      THR  21   7.105  10.611   7.889
  162    H    ASP  22           HN       ASP  22  10.868   6.671   6.092
  163    HA   ASP  22           HA       ASP  22  13.322   7.481   5.301
  164    HB2  ASP  22           HB2      ASP  22  11.748   5.185   4.131
  165    HB3  ASP  22           HB1      ASP  22  13.499   5.355   4.123
  166    H    GLY  23           HN       GLY  23  10.687   6.731   3.081
  167    HA2  GLY  23           HA2      GLY  23  10.111   7.924   1.137
  168    HA3  GLY  23           HA1      GLY  23  11.583   8.874   1.329
  169    H    THR  24           HN       THR  24  10.699   5.446   0.836
  170    HA   THR  24           HA       THR  24  13.007   4.781  -0.537
  171    HB   THR  24           HB       THR  24  11.241   2.906  -1.257
  172    HG1  THR  24           HG1      THR  24   9.619   2.894   0.555
  173   HG21  THR  24          HG21      THR  24  12.201   3.315   1.593
  174   HG22  THR  24          HG22      THR  24  13.146   2.582   0.297
  175   HG23  THR  24          HG23      THR  24  11.696   1.776   0.896
  176    H    ASP  25           HN       ASP  25  13.134   4.252  -2.865
  177    HA   ASP  25           HA       ASP  25  11.994   6.415  -4.353
  178    HB2  ASP  25           HB2      ASP  25  14.340   5.766  -4.733
  179    HB3  ASP  25           HB1      ASP  25  13.802   4.227  -5.398
  180    H    LEU  26           HN       LEU  26   9.963   6.039  -4.274
  181    HA   LEU  26           HA       LEU  26   8.708   3.851  -5.815
  182    HB2  LEU  26           HB2      LEU  26   7.888   5.604  -3.517
  183    HB3  LEU  26           HB1      LEU  26   6.665   4.909  -4.542
  184    HG   LEU  26           HG       LEU  26   7.148   2.698  -3.798
  185   HD11  LEU  26          HD11      LEU  26   9.587   2.775  -3.801
  186   HD12  LEU  26          HD12      LEU  26   8.954   2.112  -2.293
  187   HD13  LEU  26          HD13      LEU  26   9.555   3.773  -2.349
  188   HD21  LEU  26          HD21      LEU  26   7.298   4.578  -1.458
  189   HD22  LEU  26          HD22      LEU  26   6.857   2.871  -1.379
  190   HD23  LEU  26          HD23      LEU  26   5.839   4.005  -2.264
  191    H    SER  27           HN       SER  27   9.996   6.147  -6.935
  192    HA   SER  27           HA       SER  27   8.321   8.333  -7.375
  193    HB2  SER  27           HB2      SER  27  10.720   7.432  -8.942
  194    HB3  SER  27           HB1      SER  27  10.057   9.068  -8.854
  195    HG   SER  27           HG       SER  27  11.851   7.976  -7.241
  196    H    GLY  28           HN       GLY  28   6.380   7.878  -8.290
  197    HA2  GLY  28           HA2      GLY  28   5.080   8.064 -10.226
  198    HA3  GLY  28           HA1      GLY  28   6.455   7.510 -11.166
  199    H    ASP  29           HN       ASP  29   7.047   5.191 -10.690
  200    HA   ASP  29           HA       ASP  29   4.668   3.520 -10.336
  201    HB2  ASP  29           HB2      ASP  29   4.750   3.843 -12.728
  202    HB3  ASP  29           HB1      ASP  29   6.470   3.477 -12.767
  203    H    PHE  30           HN       PHE  30   5.160   2.046  -8.902
  204    HA   PHE  30           HA       PHE  30   7.802   0.855  -9.063
  205    HB2  PHE  30           HB2      PHE  30   8.184   0.966  -6.682
  206    HB3  PHE  30           HB1      PHE  30   7.816   2.581  -7.253
  207    HD1  PHE  30           HD1      PHE  30   5.364   3.330  -6.993
  208    HD2  PHE  30           HD2      PHE  30   7.087   0.129  -4.790
  209    HE1  PHE  30           HE1      PHE  30   3.629   3.591  -5.317
  210    HE2  PHE  30           HE2      PHE  30   5.332   0.360  -3.074
  211    HZ   PHE  30           HZ       PHE  30   3.651   1.952  -3.247
  212    H    LEU  31           HN       LEU  31   4.944   0.202  -9.684
  213    HA   LEU  31           HA       LEU  31   3.824  -1.645  -7.950
  214    HB2  LEU  31           HB2      LEU  31   3.500  -1.475 -10.925
  215    HB3  LEU  31           HB1      LEU  31   2.501  -2.446  -9.864
  216    HG   LEU  31           HG       LEU  31   2.661   0.569  -9.961
  217   HD11  LEU  31          HD11      LEU  31   1.345  -0.461 -11.716
  218   HD12  LEU  31          HD12      LEU  31   0.312   0.380 -10.550
  219   HD13  LEU  31          HD13      LEU  31   0.451  -1.377 -10.496
  220   HD21  LEU  31          HD21      LEU  31   0.942   0.566  -8.225
  221   HD22  LEU  31          HD22      LEU  31   2.434  -0.178  -7.641
  222   HD23  LEU  31          HD23      LEU  31   1.067  -1.188  -8.109
  223    H    ASP  32           HN       ASP  32   6.499  -2.200 -10.094
  224    HA   ASP  32           HA       ASP  32   6.105  -5.100  -9.855
  225    HB2  ASP  32           HB2      ASP  32   7.879  -5.433 -11.485
  226    HB3  ASP  32           HB1      ASP  32   6.737  -4.251 -12.100
  227    H    LEU  33           HN       LEU  33   7.510  -2.818  -8.015
  228    HA   LEU  33           HA       LEU  33   9.898  -4.257  -7.286
  229    HB2  LEU  33           HB2      LEU  33   8.599  -1.764  -6.198
  230    HB3  LEU  33           HB1      LEU  33   9.929  -2.535  -5.371
  231    HG   LEU  33           HG       LEU  33  11.355  -2.136  -7.374
  232   HD11  LEU  33          HD11      LEU  33  10.615  -0.533  -9.065
  233   HD12  LEU  33          HD12      LEU  33   8.994  -0.572  -8.355
  234   HD13  LEU  33          HD13      LEU  33   9.666  -2.023  -9.094
  235   HD21  LEU  33          HD21      LEU  33  11.396  -0.613  -5.495
  236   HD22  LEU  33          HD22      LEU  33  10.061   0.310  -6.190
  237   HD23  LEU  33          HD23      LEU  33  11.622   0.261  -7.010
  238    H    ARG  34           HN       ARG  34  10.200  -5.465  -5.569
  239    HA   ARG  34           HA       ARG  34   7.862  -6.552  -4.236
  240    HB2  ARG  34           HB2      ARG  34  10.797  -7.153  -4.099
  241    HB3  ARG  34           HB1      ARG  34   9.662  -7.862  -2.965
  242    HG2  ARG  34           HG2      ARG  34   9.446  -8.132  -5.943
  243    HG3  ARG  34           HG1      ARG  34  10.243  -9.314  -4.909
  244    HD2  ARG  34           HD2      ARG  34   8.036  -9.308  -3.588
  245    HD3  ARG  34           HD1      ARG  34   7.363  -8.540  -5.031
  246    HE   ARG  34           HE       ARG  34   8.140 -10.504  -6.272
  247   HH11  ARG  34          HH11      ARG  34   7.774 -10.812  -2.734
  248   HH12  ARG  34          HH12      ARG  34   7.385 -12.455  -2.790
  249   HH21  ARG  34          HH21      ARG  34   7.709 -12.761  -6.309
  250   HH22  ARG  34          HH22      ARG  34   7.416 -13.622  -4.845
  251    H    PHE  35           HN       PHE  35   7.295  -6.251  -2.084
  252    HA   PHE  35           HA       PHE  35   8.166  -3.812  -0.906
  253    HB2  PHE  35           HB2      PHE  35   6.617  -6.060   0.419
  254    HB3  PHE  35           HB1      PHE  35   6.773  -4.407   0.990
  255    HD1  PHE  35           HD1      PHE  35   6.122  -2.633  -0.819
  256    HD2  PHE  35           HD2      PHE  35   4.636  -6.584  -0.567
  257    HE1  PHE  35           HE1      PHE  35   4.132  -1.949  -2.044
  258    HE2  PHE  35           HE2      PHE  35   2.621  -5.902  -1.801
  259    HZ   PHE  35           HZ       PHE  35   2.294  -3.732  -2.466
  260    H    GLU  36           HN       GLU  36   8.702  -7.168  -0.232
  261    HA   GLU  36           HA       GLU  36  10.364  -7.122   1.983
  262    HB2  GLU  36           HB2      GLU  36  10.903  -8.959  -0.354
  263    HB3  GLU  36           HB1      GLU  36  11.159  -9.275   1.346
  264    HG2  GLU  36           HG2      GLU  36   9.319 -10.589   0.757
  265    HG3  GLU  36           HG1      GLU  36   8.617  -9.195   1.576
  266    H    ASP  37           HN       ASP  37  11.033  -6.443  -1.311
  267    HA   ASP  37           HA       ASP  37  13.901  -6.446  -1.137
  268    HB2  ASP  37           HB2      ASP  37  12.946  -7.135  -3.188
  269    HB3  ASP  37           HB1      ASP  37  11.910  -5.718  -3.264
  270    H    ILE  38           HN       ILE  38  11.326  -4.066  -1.030
  271    HA   ILE  38           HA       ILE  38  13.323  -1.977  -0.981
  272    HB   ILE  38           HB       ILE  38  11.448  -0.339  -1.004
  273   HG12  ILE  38          HG12      ILE  38   9.688  -2.790  -1.293
  274   HG13  ILE  38          HG11      ILE  38   9.732  -1.724   0.104
  275   HG21  ILE  38          HG21      ILE  38  10.744  -0.761  -3.309
  276   HG22  ILE  38          HG22      ILE  38  11.353  -2.413  -3.186
  277   HG23  ILE  38          HG23      ILE  38  12.469  -1.050  -3.081
  278   HD11  ILE  38          HD11      ILE  38   8.900   0.113  -1.288
  279   HD12  ILE  38          HD12      ILE  38   7.800  -1.262  -1.288
  280   HD13  ILE  38          HD13      ILE  38   8.853  -0.975  -2.675
  281    H    GLY  39           HN       GLY  39  12.637  -3.977   1.182
  282    HA2  GLY  39           HA2      GLY  39  13.373  -3.865   3.401
  283    HA3  GLY  39           HA1      GLY  39  13.329  -2.117   3.296
  284    H    TYR  40           HN       TYR  40  10.603  -4.210   2.542
  285    HA   TYR  40           HA       TYR  40   9.271  -3.155   4.932
  286    HB2  TYR  40           HB2      TYR  40   8.180  -3.808   2.213
  287    HB3  TYR  40           HB1      TYR  40   7.150  -3.641   3.624
  288    HD1  TYR  40           HD2      TYR  40   9.922  -1.779   1.995
  289    HD2  TYR  40           HD1      TYR  40   6.119  -1.611   3.846
  290    HE1  TYR  40           HE2      TYR  40   9.883   0.597   1.627
  291    HE2  TYR  40           HE1      TYR  40   6.030   0.796   3.502
  292    HH   TYR  40           HH       TYR  40   8.249   2.439   1.509
  293    H    ASP  41           HN       ASP  41   8.872  -4.591   6.397
  294    HA   ASP  41           HA       ASP  41   8.688  -7.423   5.738
  295    HB2  ASP  41           HB2      ASP  41   8.076  -6.030   8.353
  296    HB3  ASP  41           HB1      ASP  41   8.167  -7.755   8.111
  297    H    SER  42           HN       SER  42   6.736  -8.593   6.011
  298    HA   SER  42           HA       SER  42   4.518  -7.364   4.979
  299    HB2  SER  42           HB2      SER  42   3.321  -9.443   5.668
  300    HB3  SER  42           HB1      SER  42   4.818  -9.650   4.748
  301    HG   SER  42           HG       SER  42   4.753 -11.096   6.533
  302    H    LEU  43           HN       LEU  43   5.373  -7.745   8.373
  303    HA   LEU  43           HA       LEU  43   2.890  -6.906   9.449
  304    HB2  LEU  43           HB2      LEU  43   4.818  -8.067  10.662
  305    HB3  LEU  43           HB1      LEU  43   5.628  -6.525  10.698
  306    HG   LEU  43           HG       LEU  43   2.968  -7.046  12.064
  307   HD11  LEU  43          HD11      LEU  43   4.675  -8.502  12.995
  308   HD12  LEU  43          HD12      LEU  43   4.252  -7.225  14.135
  309   HD13  LEU  43          HD13      LEU  43   5.751  -7.123  13.211
  310   HD21  LEU  43          HD21      LEU  43   3.456  -4.671  11.646
  311   HD22  LEU  43          HD22      LEU  43   5.014  -4.851  12.446
  312   HD23  LEU  43          HD23      LEU  43   3.523  -5.047  13.368
  313    H    ALA  44           HN       ALA  44   5.851  -5.107   8.643
  314    HA   ALA  44           HA       ALA  44   4.960  -2.521   9.349
  315    HB1  ALA  44           HB1      ALA  44   7.324  -3.011   8.913
  316    HB2  ALA  44           HB2      ALA  44   6.755  -1.708   7.863
  317    HB3  ALA  44           HB3      ALA  44   6.948  -3.333   7.219
  318    H    LEU  45           HN       LEU  45   4.784  -4.385   6.433
  319    HA   LEU  45           HA       LEU  45   3.686  -2.541   4.660
  320    HB2  LEU  45           HB2      LEU  45   4.671  -4.726   4.094
  321    HB3  LEU  45           HB1      LEU  45   3.320  -5.519   4.861
  322    HG   LEU  45           HG       LEU  45   1.818  -4.624   3.153
  323   HD11  LEU  45          HD11      LEU  45   2.782  -3.547   1.189
  324   HD12  LEU  45          HD12      LEU  45   4.366  -3.560   1.972
  325   HD13  LEU  45          HD13      LEU  45   3.057  -2.583   2.647
  326   HD21  LEU  45          HD21      LEU  45   4.253  -6.009   2.102
  327   HD22  LEU  45          HD22      LEU  45   2.659  -5.998   1.341
  328   HD23  LEU  45          HD23      LEU  45   2.893  -6.799   2.902
  329    H    MET  46           HN       MET  46   2.176  -4.820   6.918
  330    HA   MET  46           HA       MET  46  -0.478  -4.202   6.244
  331    HB2  MET  46           HB2      MET  46   0.602  -5.299   8.839
  332    HB3  MET  46           HB1      MET  46  -1.108  -5.057   8.466
  333    HG2  MET  46           HG2      MET  46  -0.981  -6.628   6.652
  334    HG3  MET  46           HG1      MET  46   0.751  -6.837   6.924
  335    HE1  MET  46           HE1      MET  46  -1.920  -6.389   9.768
  336    HE2  MET  46           HE2      MET  46  -2.421  -8.056  10.057
  337    HE3  MET  46           HE3      MET  46  -2.824  -7.265   8.531
  338    H    GLU  47           HN       GLU  47   1.785  -2.625   8.383
  339    HA   GLU  47           HA       GLU  47  -0.084  -0.982   9.743
  340    HB2  GLU  47           HB2      GLU  47   2.271  -1.360  10.501
  341    HB3  GLU  47           HB1      GLU  47   2.830  -0.390   9.148
  342    HG2  GLU  47           HG2      GLU  47   1.679   1.562  10.065
  343    HG3  GLU  47           HG1      GLU  47   1.096   0.587  11.413
  344    H    THR  48           HN       THR  48   1.386  -0.844   6.685
  345    HA   THR  48           HA       THR  48   1.018   1.865   5.926
  346    HB   THR  48           HB       THR  48   0.962  -0.614   4.181
  347    HG1  THR  48           HG1      THR  48   3.242   0.867   5.067
  348   HG21  THR  48          HG21      THR  48   0.348   1.465   3.055
  349   HG22  THR  48          HG22      THR  48   1.912   0.883   2.482
  350   HG23  THR  48          HG23      THR  48   1.834   2.221   3.629
  351    H    ALA  49           HN       ALA  49  -0.604  -1.102   5.009
  352    HA   ALA  49           HA       ALA  49  -2.914  -0.049   3.916
  353    HB1  ALA  49           HB1      ALA  49  -2.149  -2.347   3.567
  354    HB2  ALA  49           HB2      ALA  49  -3.816  -2.305   4.145
  355    HB3  ALA  49           HB3      ALA  49  -2.509  -2.723   5.252
  356    H    ALA  50           HN       ALA  50  -2.107  -0.885   7.235
  357    HA   ALA  50           HA       ALA  50  -4.578  -0.807   8.326
  358    HB1  ALA  50           HB1      ALA  50  -3.536  -0.421  10.506
  359    HB2  ALA  50           HB2      ALA  50  -2.024  -0.001   9.690
  360    HB3  ALA  50           HB3      ALA  50  -2.681  -1.635   9.550
  361    H    ARG  51           HN       ARG  51  -2.252   1.811   7.938
  362    HA   ARG  51           HA       ARG  51  -3.843   3.842   9.091
  363    HB2  ARG  51           HB2      ARG  51  -1.586   4.025   7.096
  364    HB3  ARG  51           HB1      ARG  51  -2.356   5.425   7.823
  365    HG2  ARG  51           HG2      ARG  51  -1.649   4.671  10.034
  366    HG3  ARG  51           HG1      ARG  51  -0.880   3.258   9.302
  367    HD2  ARG  51           HD2      ARG  51   0.606   4.709   8.039
  368    HD3  ARG  51           HD1      ARG  51  -0.181   6.132   8.716
  369    HE   ARG  51           HE       ARG  51   0.619   4.740  10.885
  370   HH11  ARG  51          HH11      ARG  51   2.240   6.091   8.085
  371   HH12  ARG  51          HH12      ARG  51   3.779   6.215   8.833
  372   HH21  ARG  51          HH21      ARG  51   2.760   4.913  11.928
  373   HH22  ARG  51          HH22      ARG  51   4.054   5.586  11.068
  374    H    LEU  52           HN       LEU  52  -3.562   2.584   5.832
  375    HA   LEU  52           HA       LEU  52  -5.205   4.479   4.578
  376    HB2  LEU  52           HB2      LEU  52  -4.585   1.609   3.893
  377    HB3  LEU  52           HB1      LEU  52  -5.450   2.703   2.835
  378    HG   LEU  52           HG       LEU  52  -2.623   3.160   3.800
  379   HD11  LEU  52          HD11      LEU  52  -2.730   1.205   2.357
  380   HD12  LEU  52          HD12      LEU  52  -1.940   2.552   1.535
  381   HD13  LEU  52          HD13      LEU  52  -3.610   2.136   1.146
  382   HD21  LEU  52          HD21      LEU  52  -2.576   4.868   2.044
  383   HD22  LEU  52          HD22      LEU  52  -3.826   5.212   3.244
  384   HD23  LEU  52          HD23      LEU  52  -4.268   4.535   1.676
  385    H    GLU  53           HN       GLU  53  -5.933   1.329   6.062
  386    HA   GLU  53           HA       GLU  53  -8.675   1.218   5.620
  387    HB2  GLU  53           HB2      GLU  53  -7.150   0.343   8.073
  388    HB3  GLU  53           HB1      GLU  53  -8.816  -0.079   7.733
  389    HG2  GLU  53           HG2      GLU  53  -7.998  -1.201   5.659
  390    HG3  GLU  53           HG1      GLU  53  -6.358  -0.926   6.248
  391    H    SER  54           HN       SER  54  -6.933   2.514   8.367
  392    HA   SER  54           HA       SER  54  -9.123   3.489   9.787
  393    HB2  SER  54           HB2      SER  54  -6.276   4.499   9.823
  394    HB3  SER  54           HB1      SER  54  -7.477   4.684  11.109
  395    HG   SER  54           HG       SER  54  -6.071   2.390  10.279
  396    H    ARG  55           HN       ARG  55  -7.069   5.059   7.376
  397    HA   ARG  55           HA       ARG  55  -8.115   7.657   7.657
  398    HB2  ARG  55           HB2      ARG  55  -5.938   7.072   6.562
  399    HB3  ARG  55           HB1      ARG  55  -6.846   6.452   5.193
  400    HG2  ARG  55           HG2      ARG  55  -7.869   8.736   4.966
  401    HG3  ARG  55           HG1      ARG  55  -6.704   9.290   6.167
  402    HD2  ARG  55           HD2      ARG  55  -6.039   8.019   3.511
  403    HD3  ARG  55           HD1      ARG  55  -5.973   9.736   3.862
  404    HE   ARG  55           HE       ARG  55  -4.312   8.467   5.692
  405   HH11  ARG  55          HH11      ARG  55  -4.457   8.714   2.122
  406   HH12  ARG  55          HH12      ARG  55  -2.778   8.833   1.930
  407   HH21  ARG  55          HH21      ARG  55  -1.962   8.580   5.380
  408   HH22  ARG  55          HH22      ARG  55  -1.327   8.750   3.826
  409    H    TYR  56           HN       TYR  56  -8.900   5.045   5.337
  410    HA   TYR  56           HA       TYR  56 -10.913   6.807   4.167
  411    HB2  TYR  56           HB2      TYR  56  -9.781   4.228   3.108
  412    HB3  TYR  56           HB1      TYR  56 -10.978   5.219   2.284
  413    HD1  TYR  56           HD1      TYR  56 -10.327   7.604   1.657
  414    HD2  TYR  56           HD2      TYR  56  -7.503   4.685   2.904
  415    HE1  TYR  56           HE1      TYR  56  -8.517   8.947   0.684
  416    HE2  TYR  56           HE2      TYR  56  -5.690   6.015   1.932
  417    HH   TYR  56           HH       TYR  56  -6.145   9.258   0.823
  418    H    GLY  57           HN       GLY  57 -10.850   3.951   6.149
  419    HA2  GLY  57           HA2      GLY  57 -12.738   3.144   7.245
  420    HA3  GLY  57           HA1      GLY  57 -13.760   3.980   6.086
  421    H    VAL  58           HN       VAL  58 -11.171   2.093   4.920
  422    HA   VAL  58           HA       VAL  58 -13.076   0.158   3.832
  423    HB   VAL  58           HB       VAL  58 -11.679   1.351   2.175
  424   HG11  VAL  58          HG11      VAL  58  -9.265   1.005   2.017
  425   HG12  VAL  58          HG12      VAL  58  -9.293   0.127   3.545
  426   HG13  VAL  58          HG13      VAL  58  -9.723   1.838   3.503
  427   HG21  VAL  58          HG21      VAL  58 -10.770  -0.589   0.954
  428   HG22  VAL  58          HG22      VAL  58 -12.378  -0.897   1.611
  429   HG23  VAL  58          HG23      VAL  58 -10.958  -1.571   2.411
  430    H    SER  59           HN       SER  59 -12.877  -2.044   4.303
  431    HA   SER  59           HA       SER  59 -11.037  -2.646   6.475
  432    HB2  SER  59           HB2      SER  59 -13.495  -4.101   5.501
  433    HB3  SER  59           HB1      SER  59 -12.553  -4.506   6.941
  434    HG   SER  59           HG       SER  59 -13.375  -1.894   6.688
  435    H    ILE  60           HN       ILE  60  -9.207  -3.600   5.929
  436    HA   ILE  60           HA       ILE  60  -9.067  -5.113   3.419
  437    HB   ILE  60           HB       ILE  60  -6.861  -4.007   5.183
  438   HG12  ILE  60          HG12      ILE  60  -7.812  -3.106   2.457
  439   HG13  ILE  60          HG11      ILE  60  -8.178  -2.297   3.976
  440   HG21  ILE  60          HG21      ILE  60  -6.670  -5.377   2.492
  441   HG22  ILE  60          HG22      ILE  60  -6.132  -6.039   4.031
  442   HG23  ILE  60          HG23      ILE  60  -5.329  -4.622   3.356
  443   HD11  ILE  60          HD11      ILE  60  -6.389  -1.173   2.804
  444   HD12  ILE  60          HD12      ILE  60  -5.456  -2.670   2.761
  445   HD13  ILE  60          HD13      ILE  60  -5.776  -1.888   4.304
  446    HA   PRO  61           HA       PRO  61  -8.966  -8.858   5.910
  447    HB2  PRO  61           HB2      PRO  61  -7.975 -10.016   3.362
  448    HB3  PRO  61           HB1      PRO  61  -9.364 -10.502   4.340
  449    HG2  PRO  61           HG2      PRO  61  -9.689  -9.240   2.009
  450    HG3  PRO  61           HG1      PRO  61 -10.757  -8.917   3.387
  451    HD2  PRO  61           HD2      PRO  61  -8.474  -7.295   2.333
  452    HD3  PRO  61           HD1      PRO  61 -10.047  -6.758   2.963
  453    H    ASP  62           HN       ASP  62  -7.320  -9.025   7.215
  454    HA   ASP  62           HA       ASP  62  -4.700  -8.177   6.768
  455    HB2  ASP  62           HB2      ASP  62  -4.079  -9.153   8.906
  456    HB3  ASP  62           HB1      ASP  62  -5.659  -8.399   9.030
  457    H    ASP  63           HN       ASP  63  -6.068 -11.234   6.036
  458    HA   ASP  63           HA       ASP  63  -3.678 -12.733   5.724
  459    HB2  ASP  63           HB2      ASP  63  -6.352 -12.990   4.342
  460    HB3  ASP  63           HB1      ASP  63  -5.046 -14.150   4.181
  461    H    VAL  64           HN       VAL  64  -5.579 -10.732   3.548
  462    HA   VAL  64           HA       VAL  64  -3.943 -11.336   1.267
  463    HB   VAL  64           HB       VAL  64  -5.901  -9.039   1.577
  464   HG11  VAL  64          HG11      VAL  64  -4.835 -10.432  -0.871
  465   HG12  VAL  64          HG12      VAL  64  -4.406  -8.813  -0.321
  466   HG13  VAL  64          HG13      VAL  64  -6.051  -9.153  -0.866
  467   HG21  VAL  64          HG21      VAL  64  -7.573 -10.497   0.521
  468   HG22  VAL  64          HG22      VAL  64  -7.033 -11.144   2.072
  469   HG23  VAL  64          HG23      VAL  64  -6.426 -11.839   0.568
  470    H    ALA  65           HN       ALA  65  -4.162  -8.830   3.669
  471    HA   ALA  65           HA       ALA  65  -2.430  -6.928   2.594
  472    HB1  ALA  65           HB1      ALA  65  -2.179  -6.087   4.865
  473    HB2  ALA  65           HB2      ALA  65  -2.827  -7.593   5.509
  474    HB3  ALA  65           HB3      ALA  65  -3.859  -6.527   4.548
  475    H    GLY  66           HN       GLY  66  -1.705 -10.004   4.029
  476    HA2  GLY  66           HA2      GLY  66   1.141  -9.309   4.130
  477    HA3  GLY  66           HA1      GLY  66   0.411 -10.712   4.902
  478    H    ARG  67           HN       ARG  67  -0.948 -10.500   1.901
  479    HA   ARG  67           HA       ARG  67   0.927 -12.503   0.851
  480    HB2  ARG  67           HB2      ARG  67  -1.382 -13.285   1.010
  481    HB3  ARG  67           HB1      ARG  67  -1.942 -11.909   0.069
  482    HG2  ARG  67           HG2      ARG  67  -0.705 -12.738  -1.878
  483    HG3  ARG  67           HG1      ARG  67  -0.151 -14.117  -0.937
  484    HD2  ARG  67           HD2      ARG  67  -2.385 -14.927  -0.721
  485    HD3  ARG  67           HD1      ARG  67  -3.035 -13.468  -1.465
  486    HE   ARG  67           HE       ARG  67  -1.377 -14.396  -3.365
  487   HH11  ARG  67          HH11      ARG  67  -3.871 -16.117  -1.503
  488   HH12  ARG  67          HH12      ARG  67  -4.380 -17.044  -2.837
  489   HH21  ARG  67          HH21      ARG  67  -2.086 -15.688  -5.158
  490   HH22  ARG  67          HH22      ARG  67  -3.326 -16.840  -4.921
  491    H    VAL  68           HN       VAL  68   0.121  -9.286   0.495
  492    HA   VAL  68           HA       VAL  68   0.427  -9.155  -2.338
  493    HB   VAL  68           HB       VAL  68   0.492  -6.660  -1.995
  494   HG11  VAL  68          HG11      VAL  68  -1.875  -6.504  -1.305
  495   HG12  VAL  68          HG12      VAL  68  -1.797  -8.164  -0.710
  496   HG13  VAL  68          HG13      VAL  68  -1.604  -7.835  -2.431
  497   HG21  VAL  68          HG21      VAL  68  -0.120  -5.772   0.215
  498   HG22  VAL  68          HG22      VAL  68   1.435  -6.602   0.266
  499   HG23  VAL  68          HG23      VAL  68  -0.011  -7.396   0.892
  500    H    ASP  69           HN       ASP  69   2.166  -9.352  -3.363
  501    HA   ASP  69           HA       ASP  69   4.825  -9.241  -2.114
  502    HB2  ASP  69           HB2      ASP  69   4.265  -9.713  -5.028
  503    HB3  ASP  69           HB1      ASP  69   5.584 -10.308  -4.045
  504    H    THR  70           HN       THR  70   3.163  -7.846  -4.865
  505    HA   THR  70           HA       THR  70   5.114  -5.703  -4.815
  506    HB   THR  70           HB       THR  70   4.517  -5.505  -7.265
  507    HG1  THR  70           HG1      THR  70   3.786  -7.915  -7.829
  508   HG21  THR  70          HG21      THR  70   5.975  -7.387  -7.940
  509   HG22  THR  70          HG22      THR  70   5.788  -8.095  -6.336
  510   HG23  THR  70          HG23      THR  70   6.618  -6.562  -6.520
  511    HA   PRO  71           HA       PRO  71   1.920  -2.788  -4.050
  512    HB2  PRO  71           HB2      PRO  71   2.858  -1.273  -6.410
  513    HB3  PRO  71           HB1      PRO  71   2.698  -0.757  -4.725
  514    HG2  PRO  71           HG2      PRO  71   5.083  -1.246  -5.734
  515    HG3  PRO  71           HG1      PRO  71   4.674  -1.770  -4.088
  516    HD2  PRO  71           HD2      PRO  71   4.809  -3.357  -6.606
  517    HD3  PRO  71           HD1      PRO  71   5.387  -3.769  -4.978
  518    H    ARG  72           HN       ARG  72   2.284  -3.913  -7.317
  519    HA   ARG  72           HA       ARG  72  -0.067  -3.042  -8.494
  520    HB2  ARG  72           HB2      ARG  72   1.732  -4.304  -9.622
  521    HB3  ARG  72           HB1      ARG  72   1.230  -5.753  -8.765
  522    HG2  ARG  72           HG2      ARG  72  -0.972  -5.589  -9.864
  523    HG3  ARG  72           HG1      ARG  72  -0.364  -4.212 -10.790
  524    HD2  ARG  72           HD2      ARG  72   0.734  -7.010 -10.805
  525    HD3  ARG  72           HD1      ARG  72  -0.220  -6.235 -12.073
  526    HE   ARG  72           HE       ARG  72   1.667  -4.625 -12.286
  527   HH11  ARG  72          HH11      ARG  72   2.325  -7.825 -10.916
  528   HH12  ARG  72          HH12      ARG  72   3.889  -7.916 -11.535
  529   HH21  ARG  72          HH21      ARG  72   3.774  -4.708 -13.082
  530   HH22  ARG  72          HH22      ARG  72   4.783  -6.072 -12.797
  531    H    GLU  73           HN       GLU  73   0.531  -5.912  -6.538
  532    HA   GLU  73           HA       GLU  73  -2.027  -7.086  -6.553
  533    HB2  GLU  73           HB2      GLU  73   0.068  -7.212  -4.377
  534    HB3  GLU  73           HB1      GLU  73  -1.166  -8.410  -4.707
  535    HG2  GLU  73           HG2      GLU  73   1.092  -7.716  -6.573
  536    HG3  GLU  73           HG1      GLU  73   1.113  -9.046  -5.425
  537    H    LEU  74           HN       LEU  74  -0.372  -4.949  -4.303
  538    HA   LEU  74           HA       LEU  74  -2.372  -4.862  -2.269
  539    HB2  LEU  74           HB2      LEU  74   0.134  -4.392  -2.089
  540    HB3  LEU  74           HB1      LEU  74  -0.193  -2.829  -2.791
  541    HG   LEU  74           HG       LEU  74  -1.267  -3.786  -0.111
  542   HD11  LEU  74          HD11      LEU  74   0.354  -2.275   0.861
  543   HD12  LEU  74          HD12      LEU  74   0.976  -1.905  -0.749
  544   HD13  LEU  74          HD13      LEU  74   1.123  -3.542  -0.104
  545   HD21  LEU  74          HD21      LEU  74  -1.253  -1.031  -1.340
  546   HD22  LEU  74          HD22      LEU  74  -1.853  -1.454   0.263
  547   HD23  LEU  74          HD23      LEU  74  -2.667  -2.067  -1.179
  548    H    LEU  75           HN       LEU  75  -1.440  -2.548  -4.811
  549    HA   LEU  75           HA       LEU  75  -3.267  -0.557  -4.221
  550    HB2  LEU  75           HB2      LEU  75  -1.406  -0.236  -5.763
  551    HB3  LEU  75           HB1      LEU  75  -2.127  -1.357  -6.898
  552    HG   LEU  75           HG       LEU  75  -3.997   0.208  -7.247
  553   HD11  LEU  75          HD11      LEU  75  -2.435   2.075  -5.468
  554   HD12  LEU  75          HD12      LEU  75  -3.969   1.302  -5.066
  555   HD13  LEU  75          HD13      LEU  75  -3.894   2.472  -6.383
  556   HD21  LEU  75          HD21      LEU  75  -1.264   1.415  -7.636
  557   HD22  LEU  75          HD22      LEU  75  -2.732   1.901  -8.487
  558   HD23  LEU  75          HD23      LEU  75  -2.066   0.287  -8.730
  559    H    ASP  76           HN       ASP  76  -3.548  -3.242  -6.503
  560    HA   ASP  76           HA       ASP  76  -6.137  -2.625  -7.398
  561    HB2  ASP  76           HB2      ASP  76  -4.724  -4.125  -8.657
  562    HB3  ASP  76           HB1      ASP  76  -4.691  -5.273  -7.325
  563    H    LEU  77           HN       LEU  77  -5.052  -4.556  -4.674
  564    HA   LEU  77           HA       LEU  77  -7.529  -5.703  -4.012
  565    HB2  LEU  77           HB2      LEU  77  -5.339  -6.484  -3.118
  566    HB3  LEU  77           HB1      LEU  77  -5.216  -5.023  -2.172
  567    HG   LEU  77           HG       LEU  77  -5.846  -7.137  -0.921
  568   HD11  LEU  77          HD11      LEU  77  -7.774  -4.841  -0.676
  569   HD12  LEU  77          HD12      LEU  77  -6.208  -4.984   0.124
  570   HD13  LEU  77          HD13      LEU  77  -7.510  -6.101   0.528
  571   HD21  LEU  77          HD21      LEU  77  -8.480  -6.731  -2.326
  572   HD22  LEU  77          HD22      LEU  77  -8.188  -7.849  -0.992
  573   HD23  LEU  77          HD23      LEU  77  -7.375  -8.090  -2.539
  574    H    ILE  78           HN       ILE  78  -5.940  -2.778  -2.758
  575    HA   ILE  78           HA       ILE  78  -8.206  -2.082  -1.171
  576    HB   ILE  78           HB       ILE  78  -5.970  -0.256  -2.099
  577   HG12  ILE  78          HG12      ILE  78  -6.341  -1.798   0.483
  578   HG13  ILE  78          HG11      ILE  78  -5.172  -2.172  -0.772
  579   HG21  ILE  78          HG21      ILE  78  -6.691   1.219  -0.244
  580   HG22  ILE  78          HG22      ILE  78  -8.001   0.112   0.138
  581   HG23  ILE  78          HG23      ILE  78  -8.027   0.994  -1.373
  582   HD11  ILE  78          HD11      ILE  78  -5.209   0.322   0.917
  583   HD12  ILE  78          HD12      ILE  78  -4.055  -0.049  -0.368
  584   HD13  ILE  78          HD13      ILE  78  -4.111  -1.054   1.075
  585    H    ASN  79           HN       ASN  79  -7.007  -1.118  -4.316
  586    HA   ASN  79           HA       ASN  79  -8.577   1.055  -4.867
  587    HB2  ASN  79           HB2      ASN  79  -6.719  -0.091  -6.274
  588    HB3  ASN  79           HB1      ASN  79  -8.032  -1.020  -6.978
  589   HD21  ASN  79          HD21      ASN  79  -6.424   2.013  -6.830
  590   HD22  ASN  79          HD22      ASN  79  -7.319   2.790  -8.062
  591    H    GLY  80           HN       GLY  80  -9.345  -2.338  -5.673
  592    HA2  GLY  80           HA2      GLY  80 -11.951  -1.821  -6.634
  593    HA3  GLY  80           HA1      GLY  80 -11.353  -3.383  -6.096
  594    H    ALA  81           HN       ALA  81 -10.810  -2.777  -3.418
  595    HA   ALA  81           HA       ALA  81 -13.415  -3.143  -2.327
  596    HB1  ALA  81           HB1      ALA  81 -12.292  -3.312  -0.169
  597    HB2  ALA  81           HB2      ALA  81 -10.811  -2.665  -0.867
  598    HB3  ALA  81           HB3      ALA  81 -11.415  -4.236  -1.389
  599    H    LEU  82           HN       LEU  82 -11.236  -0.464  -2.503
  600    HA   LEU  82           HA       LEU  82 -12.672   1.221  -0.693
  601    HB2  LEU  82           HB2      LEU  82 -10.185   1.305  -1.073
  602    HB3  LEU  82           HB1      LEU  82 -10.499   1.855  -2.687
  603    HG   LEU  82           HG       LEU  82 -11.326   3.924  -1.946
  604   HD11  LEU  82          HD11      LEU  82 -10.973   2.871   0.874
  605   HD12  LEU  82          HD12      LEU  82 -12.515   3.198   0.083
  606   HD13  LEU  82          HD13      LEU  82 -11.416   4.527   0.460
  607   HD21  LEU  82          HD21      LEU  82  -9.349   4.839  -0.813
  608   HD22  LEU  82          HD22      LEU  82  -8.929   3.743  -2.127
  609   HD23  LEU  82          HD23      LEU  82  -8.814   3.197  -0.455
  610    H    ALA  83           HN       ALA  83 -12.544   0.726  -4.181
  611    HA   ALA  83           HA       ALA  83 -14.153   2.902  -4.956
  612    HB1  ALA  83           HB1      ALA  83 -14.587   1.606  -6.995
  613    HB2  ALA  83           HB2      ALA  83 -13.916   0.165  -6.223
  614    HB3  ALA  83           HB3      ALA  83 -12.878   1.549  -6.559
  615    H    GLU  84           HN       GLU  84 -14.894  -0.361  -3.922
  616    HA   GLU  84           HA       GLU  84 -17.738   0.016  -4.207
  617    HB2  GLU  84           HB2      GLU  84 -16.158  -2.291  -3.077
  618    HB3  GLU  84           HB1      GLU  84 -17.884  -2.298  -3.412
  619    HG2  GLU  84           HG2      GLU  84 -15.698  -1.951  -5.454
  620    HG3  GLU  84           HG1      GLU  84 -16.607  -3.431  -5.154
  621    H    ALA  85           HN       ALA  85 -15.773   1.264  -2.052
  622    HA   ALA  85           HA       ALA  85 -17.193   0.530   0.357
  623    HB1  ALA  85           HB1      ALA  85 -15.651   2.052   1.496
  624    HB2  ALA  85           HB2      ALA  85 -15.003   2.571  -0.062
  625    HB3  ALA  85           HB3      ALA  85 -14.769   0.908   0.482
  626    H    ALA  86           HN       ALA  86 -19.017   1.439   0.843
  627    HA   ALA  86           HA       ALA  86 -19.650   4.094  -0.189
  628    HB1  ALA  86           HB1      ALA  86 -21.999   3.447   0.221
  629    HB2  ALA  86           HB2      ALA  86 -21.459   1.865   0.785
  630    HB3  ALA  86           HB3      ALA  86 -21.212   2.332  -0.895
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1 -11.586   8.679  -9.999
    2    H2   MET   1           HT2      MET   1 -12.300  10.042 -10.689
    3    H3   MET   1           HT3      MET   1 -12.180   8.619 -11.590
    4    HA   MET   1           HA       MET   1 -14.415   8.965 -10.768
    5    HB2  MET   1           HB2      MET   1 -13.038   6.794  -9.152
    6    HB3  MET   1           HB1      MET   1 -14.752   6.878  -9.520
    7    HG2  MET   1           HG2      MET   1 -12.510   6.443 -11.471
    8    HG3  MET   1           HG1      MET   1 -13.681   5.248 -10.920
    9    HE1  MET   1           HE1      MET   1 -17.004   6.532 -12.527
   10    HE2  MET   1           HE2      MET   1 -16.393   6.854 -10.903
   11    HE3  MET   1           HE3      MET   1 -16.238   5.242 -11.601
   12    H    ALA   2           HN       ALA   2 -12.204   8.440  -7.987
   13    HA   ALA   2           HA       ALA   2 -13.360  10.664  -6.586
   14    HB1  ALA   2           HB1      ALA   2 -14.956   8.875  -6.016
   15    HB2  ALA   2           HB2      ALA   2 -13.976   9.292  -4.612
   16    HB3  ALA   2           HB3      ALA   2 -13.622   7.829  -5.530
   17    H    THR   3           HN       THR   3 -12.178  10.461  -4.209
   18    HA   THR   3           HA       THR   3  -9.367  10.235  -4.750
   19    HB   THR   3           HB       THR   3  -9.398  10.488  -2.139
   20    HG1  THR   3           HG1      THR   3 -11.489  10.094  -1.634
   21   HG21  THR   3          HG21      THR   3 -10.469  12.679  -3.930
   22   HG22  THR   3          HG22      THR   3  -8.767  12.289  -3.686
   23   HG23  THR   3          HG23      THR   3  -9.729  12.915  -2.345
   24    H    LEU   4           HN       LEU   4  -8.518   8.561  -5.132
   25    HA   LEU   4           HA       LEU   4  -9.069   6.171  -3.542
   26    HB2  LEU   4           HB2      LEU   4 -10.173   6.169  -5.789
   27    HB3  LEU   4           HB1      LEU   4  -8.575   6.428  -6.482
   28    HG   LEU   4           HG       LEU   4  -7.883   4.333  -5.614
   29   HD11  LEU   4          HD11      LEU   4  -9.649   2.716  -4.860
   30   HD12  LEU   4          HD12      LEU   4 -10.802   4.046  -4.864
   31   HD13  LEU   4          HD13      LEU   4  -9.430   4.069  -3.757
   32   HD21  LEU   4          HD21      LEU   4 -10.310   4.263  -7.397
   33   HD22  LEU   4          HD22      LEU   4  -9.135   2.953  -7.245
   34   HD23  LEU   4          HD23      LEU   4  -8.638   4.513  -7.898
   35    H    LEU   5           HN       LEU   5  -7.135   4.684  -3.835
   36    HA   LEU   5           HA       LEU   5  -4.733   6.239  -3.541
   37    HB2  LEU   5           HB2      LEU   5  -5.277   3.293  -3.375
   38    HB3  LEU   5           HB1      LEU   5  -3.731   4.049  -3.066
   39    HG   LEU   5           HG       LEU   5  -6.238   4.534  -1.467
   40   HD11  LEU   5          HD11      LEU   5  -3.787   2.894  -0.867
   41   HD12  LEU   5          HD12      LEU   5  -5.398   2.264  -1.216
   42   HD13  LEU   5          HD13      LEU   5  -5.116   3.210   0.245
   43   HD21  LEU   5          HD21      LEU   5  -3.375   5.367  -1.015
   44   HD22  LEU   5          HD22      LEU   5  -4.717   5.631   0.100
   45   HD23  LEU   5          HD23      LEU   5  -4.702   6.433  -1.473
   46    H    THR   6           HN       THR   6  -3.558   6.720  -5.263
   47    HA   THR   6           HA       THR   6  -3.508   4.881  -7.517
   48    HB   THR   6           HB       THR   6  -2.298   6.725  -8.675
   49    HG1  THR   6           HG1      THR   6  -2.814   8.342  -6.366
   50   HG21  THR   6          HG21      THR   6  -4.826   7.665  -7.297
   51   HG22  THR   6          HG22      THR   6  -4.763   6.699  -8.770
   52   HG23  THR   6          HG23      THR   6  -4.147   8.350  -8.773
   53    H    THR   7           HN       THR   7  -0.987   5.095  -8.450
   54    HA   THR   7           HA       THR   7   0.696   3.701  -6.712
   55    HB   THR   7           HB       THR   7   1.533   5.543  -8.981
   56    HG1  THR   7           HG1      THR   7   1.268   3.692 -10.288
   57   HG21  THR   7          HG21      THR   7   2.816   3.042  -7.846
   58   HG22  THR   7          HG22      THR   7   3.395   4.693  -7.616
   59   HG23  THR   7          HG23      THR   7   3.412   3.970  -9.225
   60    H    ASP   8           HN       ASP   8   0.393   7.119  -7.463
   61    HA   ASP   8           HA       ASP   8   2.504   8.177  -5.971
   62    HB2  ASP   8           HB2      ASP   8   1.205   9.366  -7.726
   63    HB3  ASP   8           HB1      ASP   8  -0.152   9.471  -6.614
   64    H    ASP   9           HN       ASP   9  -0.906   7.721  -5.137
   65    HA   ASP   9           HA       ASP   9  -0.729   8.790  -2.503
   66    HB2  ASP   9           HB2      ASP   9  -2.726   6.781  -3.574
   67    HB3  ASP   9           HB1      ASP   9  -2.848   7.569  -2.017
   68    H    LEU  10           HN       LEU  10  -0.375   5.561  -3.792
   69    HA   LEU  10           HA       LEU  10  -0.311   4.185  -1.329
   70    HB2  LEU  10           HB2      LEU  10  -0.661   3.231  -3.661
   71    HB3  LEU  10           HB1      LEU  10   1.075   3.341  -3.869
   72    HG   LEU  10           HG       LEU  10   1.356   1.818  -1.932
   73   HD11  LEU  10          HD11      LEU  10  -0.726   2.321  -0.789
   74   HD12  LEU  10          HD12      LEU  10  -0.621   0.590  -1.131
   75   HD13  LEU  10          HD13      LEU  10  -1.644   1.632  -2.124
   76   HD21  LEU  10          HD21      LEU  10   1.375   0.956  -4.222
   77   HD22  LEU  10          HD22      LEU  10  -0.378   0.784  -4.177
   78   HD23  LEU  10          HD23      LEU  10   0.632  -0.205  -3.119
   79    H    ARG  11           HN       ARG  11   2.185   5.513  -3.399
   80    HA   ARG  11           HA       ARG  11   4.549   4.827  -2.117
   81    HB2  ARG  11           HB2      ARG  11   4.340   6.069  -4.239
   82    HB3  ARG  11           HB1      ARG  11   3.781   7.470  -3.351
   83    HG2  ARG  11           HG2      ARG  11   6.001   7.486  -2.183
   84    HG3  ARG  11           HG1      ARG  11   6.521   6.240  -3.327
   85    HD2  ARG  11           HD2      ARG  11   5.576   9.030  -3.966
   86    HD3  ARG  11           HD1      ARG  11   7.201   8.382  -4.181
   87    HE   ARG  11           HE       ARG  11   6.203   6.845  -5.819
   88   HH11  ARG  11          HH11      ARG  11   4.791  10.019  -5.150
   89   HH12  ARG  11          HH12      ARG  11   3.862  10.155  -6.542
   90   HH21  ARG  11          HH21      ARG  11   4.932   6.992  -7.898
   91   HH22  ARG  11          HH22      ARG  11   3.954   8.336  -8.177
   92    H    ARG  12           HN       ARG  12   2.573   7.706  -1.665
   93    HA   ARG  12           HA       ARG  12   3.917   8.849   0.487
   94    HB2  ARG  12           HB2      ARG  12   2.342  10.059  -0.920
   95    HB3  ARG  12           HB1      ARG  12   1.022   9.071  -0.317
   96    HG2  ARG  12           HG2      ARG  12   1.284  10.012   1.892
   97    HG3  ARG  12           HG1      ARG  12   2.682  10.945   1.349
   98    HD2  ARG  12           HD2      ARG  12  -0.125  11.194   0.297
   99    HD3  ARG  12           HD1      ARG  12   0.646  12.305   1.427
  100    HE   ARG  12           HE       ARG  12   1.583  11.883  -1.348
  101   HH11  ARG  12          HH11      ARG  12   0.899  14.056   1.356
  102   HH12  ARG  12          HH12      ARG  12   1.640  15.412   0.602
  103   HH21  ARG  12          HH21      ARG  12   2.519  13.640  -2.333
  104   HH22  ARG  12          HH22      ARG  12   2.604  15.182  -1.595
  105    H    ALA  13           HN       ALA  13   1.295   6.513   0.409
  106    HA   ALA  13           HA       ALA  13   0.603   6.552   3.113
  107    HB1  ALA  13           HB1      ALA  13  -0.460   4.405   2.701
  108    HB2  ALA  13           HB2      ALA  13   0.420   4.252   1.178
  109    HB3  ALA  13           HB3      ALA  13  -0.778   5.528   1.380
  110    H    LEU  14           HN       LEU  14   3.079   4.729   1.388
  111    HA   LEU  14           HA       LEU  14   3.831   3.013   3.500
  112    HB2  LEU  14           HB2      LEU  14   5.468   4.130   1.225
  113    HB3  LEU  14           HB1      LEU  14   6.025   2.871   2.304
  114    HG   LEU  14           HG       LEU  14   3.673   2.642   0.422
  115   HD11  LEU  14          HD11      LEU  14   5.132   1.136  -0.808
  116   HD12  LEU  14          HD12      LEU  14   6.457   1.497   0.300
  117   HD13  LEU  14          HD13      LEU  14   5.807   2.764  -0.744
  118   HD21  LEU  14          HD21      LEU  14   3.488   1.269   2.458
  119   HD22  LEU  14          HD22      LEU  14   5.059   0.554   2.095
  120   HD23  LEU  14          HD23      LEU  14   3.699   0.297   1.001
  121    H    VAL  15           HN       VAL  15   4.950   6.178   2.507
  122    HA   VAL  15           HA       VAL  15   7.017   6.498   4.400
  123    HB   VAL  15           HB       VAL  15   5.322   8.721   3.217
  124   HG11  VAL  15          HG11      VAL  15   7.354  10.062   3.449
  125   HG12  VAL  15          HG12      VAL  15   8.176   8.680   4.171
  126   HG13  VAL  15          HG13      VAL  15   6.813   9.424   5.003
  127   HG21  VAL  15          HG21      VAL  15   7.743   7.375   2.011
  128   HG22  VAL  15          HG22      VAL  15   6.940   8.818   1.378
  129   HG23  VAL  15          HG23      VAL  15   6.084   7.279   1.412
  130    H    GLU  16           HN       GLU  16   3.650   7.607   4.374
  131    HA   GLU  16           HA       GLU  16   3.539   8.843   6.877
  132    HB2  GLU  16           HB2      GLU  16   1.408   7.510   5.238
  133    HB3  GLU  16           HB1      GLU  16   1.065   8.367   6.729
  134    HG2  GLU  16           HG2      GLU  16   2.352   9.555   4.292
  135    HG3  GLU  16           HG1      GLU  16   0.654   9.717   4.730
  136    H    SER  17           HN       SER  17   3.453   5.465   6.119
  137    HA   SER  17           HA       SER  17   2.336   4.816   8.707
  138    HB2  SER  17           HB2      SER  17   3.228   3.032   6.462
  139    HB3  SER  17           HB1      SER  17   2.322   2.526   7.890
  140    HG   SER  17           HG       SER  17   1.523   4.141   5.736
  141    H    ALA  18           HN       ALA  18   5.434   4.755   7.074
  142    HA   ALA  18           HA       ALA  18   6.749   3.345   9.200
  143    HB1  ALA  18           HB1      ALA  18   7.677   3.336   6.917
  144    HB2  ALA  18           HB2      ALA  18   8.824   4.040   8.055
  145    HB3  ALA  18           HB3      ALA  18   7.885   5.085   6.992
  146    H    GLY  19           HN       GLY  19   6.011   6.595   8.342
  147    HA2  GLY  19           HA2      GLY  19   5.720   8.206  10.153
  148    HA3  GLY  19           HA1      GLY  19   7.249   7.604  10.813
  149    H    GLU  20           HN       GLU  20   9.009   7.522   9.180
  150    HA   GLU  20           HA       GLU  20   8.892   9.316   6.999
  151    HB2  GLU  20           HB2      GLU  20   9.405  10.850   8.933
  152    HB3  GLU  20           HB1      GLU  20  10.832   9.880   9.268
  153    HG2  GLU  20           HG2      GLU  20  11.297  11.961   8.008
  154    HG3  GLU  20           HG1      GLU  20  11.828  10.493   7.184
  155    H    THR  21           HN       THR  21  10.690   8.916   5.641
  156    HA   THR  21           HA       THR  21  12.533   6.880   6.383
  157    HB   THR  21           HB       THR  21  10.576   5.450   5.958
  158    HG1  THR  21           HG1      THR  21  11.880   4.069   5.088
  159   HG21  THR  21          HG21      THR  21   9.511   5.327   3.726
  160   HG22  THR  21          HG22      THR  21  10.486   6.702   3.202
  161   HG23  THR  21          HG23      THR  21   9.287   6.907   4.479
  162    H    ASP  22           HN       ASP  22  13.115   6.082   3.795
  163    HA   ASP  22           HA       ASP  22  14.311   8.539   2.751
  164    HB2  ASP  22           HB2      ASP  22  15.865   6.695   3.147
  165    HB3  ASP  22           HB1      ASP  22  14.905   5.642   2.114
  166    H    GLY  23           HN       GLY  23  12.648   5.629   1.603
  167    HA2  GLY  23           HA2      GLY  23  10.930   5.516   0.055
  168    HA3  GLY  23           HA1      GLY  23  11.153   7.235  -0.291
  169    H    THR  24           HN       THR  24  13.432   4.616  -0.222
  170    HA   THR  24           HA       THR  24  15.043   5.414  -2.272
  171    HB   THR  24           HB       THR  24  15.808   3.872  -0.654
  172    HG1  THR  24           HG1      THR  24  16.404   3.640  -3.018
  173   HG21  THR  24          HG21      THR  24  15.022   1.528  -0.477
  174   HG22  THR  24          HG22      THR  24  13.779   1.872  -1.680
  175   HG23  THR  24          HG23      THR  24  13.742   2.689  -0.118
  176    H    ASP  25           HN       ASP  25  14.038   6.038  -4.134
  177    HA   ASP  25           HA       ASP  25  13.254   5.926  -6.217
  178    HB2  ASP  25           HB2      ASP  25  13.996   3.003  -5.973
  179    HB3  ASP  25           HB1      ASP  25  13.397   3.719  -7.464
  180    H    LEU  26           HN       LEU  26  11.609   5.547  -3.933
  181    HA   LEU  26           HA       LEU  26   9.418   3.821  -4.648
  182    HB2  LEU  26           HB2      LEU  26  10.242   4.855  -2.338
  183    HB3  LEU  26           HB1      LEU  26   9.133   6.131  -2.791
  184    HG   LEU  26           HG       LEU  26   7.328   4.418  -2.934
  185   HD11  LEU  26          HD11      LEU  26   9.462   2.663  -1.721
  186   HD12  LEU  26          HD12      LEU  26   8.747   2.467  -3.316
  187   HD13  LEU  26          HD13      LEU  26   7.757   2.234  -1.872
  188   HD21  LEU  26          HD21      LEU  26   7.078   4.206  -0.502
  189   HD22  LEU  26          HD22      LEU  26   7.618   5.823  -0.955
  190   HD23  LEU  26          HD23      LEU  26   8.769   4.661  -0.290
  191    H    SER  27           HN       SER  27  10.419   7.066  -5.209
  192    HA   SER  27           HA       SER  27   8.017   8.223  -6.083
  193    HB2  SER  27           HB2      SER  27  10.842   8.858  -6.929
  194    HB3  SER  27           HB1      SER  27   9.463   9.961  -6.886
  195    HG   SER  27           HG       SER  27  10.773  10.287  -5.121
  196    H    GLY  28           HN       GLY  28   7.110   8.173  -8.104
  197    HA2  GLY  28           HA2      GLY  28   7.147   7.802 -10.452
  198    HA3  GLY  28           HA1      GLY  28   8.537   6.742 -10.233
  199    H    ASP  29           HN       ASP  29   7.956   4.740 -10.797
  200    HA   ASP  29           HA       ASP  29   5.328   3.802  -9.868
  201    HB2  ASP  29           HB2      ASP  29   5.389   4.124 -12.347
  202    HB3  ASP  29           HB1      ASP  29   6.719   2.977 -12.426
  203    H    PHE  30           HN       PHE  30   5.837   2.568  -8.197
  204    HA   PHE  30           HA       PHE  30   8.136   0.819  -8.536
  205    HB2  PHE  30           HB2      PHE  30   8.375   0.739  -6.120
  206    HB3  PHE  30           HB1      PHE  30   8.280   2.413  -6.633
  207    HD1  PHE  30           HD1      PHE  30   5.943   3.557  -6.404
  208    HD2  PHE  30           HD2      PHE  30   7.042  -0.052  -4.439
  209    HE1  PHE  30           HE1      PHE  30   4.153   3.912  -4.750
  210    HE2  PHE  30           HE2      PHE  30   5.273   0.273  -2.798
  211    HZ   PHE  30           HZ       PHE  30   3.808   2.275  -2.941
  212    H    LEU  31           HN       LEU  31   5.170   0.541  -9.255
  213    HA   LEU  31           HA       LEU  31   3.861  -1.279  -7.658
  214    HB2  LEU  31           HB2      LEU  31   3.594  -0.889 -10.612
  215    HB3  LEU  31           HB1      LEU  31   2.536  -1.918  -9.669
  216    HG   LEU  31           HG       LEU  31   2.829   1.081  -9.432
  217   HD11  LEU  31          HD11      LEU  31   1.501   0.283 -11.325
  218   HD12  LEU  31          HD12      LEU  31   0.498   1.068 -10.088
  219   HD13  LEU  31          HD13      LEU  31   0.552  -0.693 -10.195
  220   HD21  LEU  31          HD21      LEU  31   1.079   0.953  -7.737
  221   HD22  LEU  31          HD22      LEU  31   2.520   0.064  -7.220
  222   HD23  LEU  31          HD23      LEU  31   1.118  -0.808  -7.840
  223    H    ASP  32           HN       ASP  32   6.438  -2.080  -9.895
  224    HA   ASP  32           HA       ASP  32   5.718  -4.911  -9.614
  225    HB2  ASP  32           HB2      ASP  32   6.316  -4.029 -11.882
  226    HB3  ASP  32           HB1      ASP  32   7.941  -3.718 -11.291
  227    H    LEU  33           HN       LEU  33   7.534  -2.720  -7.942
  228    HA   LEU  33           HA       LEU  33   9.737  -4.469  -7.324
  229    HB2  LEU  33           HB2      LEU  33   8.947  -1.757  -6.279
  230    HB3  LEU  33           HB1      LEU  33  10.209  -2.693  -5.517
  231    HG   LEU  33           HG       LEU  33  11.488  -2.639  -7.652
  232   HD11  LEU  33          HD11      LEU  33  10.870  -1.026  -9.379
  233   HD12  LEU  33          HD12      LEU  33   9.344  -0.737  -8.537
  234   HD13  LEU  33          HD13      LEU  33   9.680  -2.323  -9.227
  235   HD21  LEU  33          HD21      LEU  33  10.727   0.039  -6.510
  236   HD22  LEU  33          HD22      LEU  33  12.173  -0.300  -7.459
  237   HD23  LEU  33          HD23      LEU  33  11.956  -1.056  -5.880
  238    H    ARG  34           HN       ARG  34   9.889  -5.815  -5.705
  239    HA   ARG  34           HA       ARG  34   7.495  -6.447  -4.283
  240    HB2  ARG  34           HB2      ARG  34  10.274  -7.639  -4.165
  241    HB3  ARG  34           HB1      ARG  34   8.917  -8.243  -3.234
  242    HG2  ARG  34           HG2      ARG  34   9.227  -9.666  -5.151
  243    HG3  ARG  34           HG1      ARG  34   7.744  -8.732  -5.358
  244    HD2  ARG  34           HD2      ARG  34   9.085  -8.911  -7.432
  245    HD3  ARG  34           HD1      ARG  34   8.831  -7.247  -6.904
  246    HE   ARG  34           HE       ARG  34  11.298  -8.521  -6.042
  247   HH11  ARG  34          HH11      ARG  34   9.759  -6.315  -8.382
  248   HH12  ARG  34          HH12      ARG  34  11.218  -5.657  -8.935
  249   HH21  ARG  34          HH21      ARG  34  13.321  -7.615  -6.838
  250   HH22  ARG  34          HH22      ARG  34  13.241  -6.375  -8.014
  251    H    PHE  35           HN       PHE  35   7.074  -6.141  -2.186
  252    HA   PHE  35           HA       PHE  35   8.168  -3.916  -0.886
  253    HB2  PHE  35           HB2      PHE  35   6.652  -6.176   0.455
  254    HB3  PHE  35           HB1      PHE  35   6.869  -4.540   1.048
  255    HD1  PHE  35           HD1      PHE  35   5.879  -2.661  -0.225
  256    HD2  PHE  35           HD2      PHE  35   4.814  -6.713  -0.889
  257    HE1  PHE  35           HE1      PHE  35   3.814  -1.931  -1.305
  258    HE2  PHE  35           HE2      PHE  35   2.727  -5.984  -1.981
  259    HZ   PHE  35           HZ       PHE  35   2.161  -3.746  -2.132
  260    H    GLU  36           HN       GLU  36   8.606  -7.388  -0.247
  261    HA   GLU  36           HA       GLU  36  10.360  -7.167   1.915
  262    HB2  GLU  36           HB2      GLU  36  10.257  -9.344  -0.178
  263    HB3  GLU  36           HB1      GLU  36  11.125  -9.451   1.340
  264    HG2  GLU  36           HG2      GLU  36   8.144  -9.159   1.033
  265    HG3  GLU  36           HG1      GLU  36   9.000 -10.651   1.385
  266    H    ASP  37           HN       ASP  37  10.951  -6.689  -1.449
  267    HA   ASP  37           HA       ASP  37  13.807  -7.076  -1.254
  268    HB2  ASP  37           HB2      ASP  37  12.511  -7.603  -3.337
  269    HB3  ASP  37           HB1      ASP  37  12.233  -5.876  -3.538
  270    H    ILE  38           HN       ILE  38  11.524  -4.426  -1.202
  271    HA   ILE  38           HA       ILE  38  13.712  -2.501  -1.256
  272    HB   ILE  38           HB       ILE  38  11.969  -0.726  -1.267
  273   HG12  ILE  38          HG12      ILE  38  10.024  -3.043  -1.510
  274   HG13  ILE  38          HG11      ILE  38  10.166  -1.960  -0.132
  275   HG21  ILE  38          HG21      ILE  38  11.222  -1.102  -3.569
  276   HG22  ILE  38          HG22      ILE  38  11.754  -2.780  -3.456
  277   HG23  ILE  38          HG23      ILE  38  12.932  -1.469  -3.334
  278   HD11  ILE  38          HD11      ILE  38   9.429  -0.094  -1.527
  279   HD12  ILE  38          HD12      ILE  38   8.247  -1.403  -1.512
  280   HD13  ILE  38          HD13      ILE  38   9.297  -1.181  -2.908
  281    H    GLY  39           HN       GLY  39  13.108  -4.303   1.021
  282    HA2  GLY  39           HA2      GLY  39  13.711  -4.080   3.257
  283    HA3  GLY  39           HA1      GLY  39  13.769  -2.344   3.029
  284    H    TYR  40           HN       TYR  40  10.849  -3.787   2.040
  285    HA   TYR  40           HA       TYR  40   9.590  -2.812   4.470
  286    HB2  TYR  40           HB2      TYR  40   8.772  -2.820   1.641
  287    HB3  TYR  40           HB1      TYR  40   7.501  -3.209   2.798
  288    HD1  TYR  40           HD2      TYR  40  10.103  -0.643   2.032
  289    HD2  TYR  40           HD1      TYR  40   6.424  -1.549   3.956
  290    HE1  TYR  40           HE2      TYR  40   9.794   1.742   2.550
  291    HE2  TYR  40           HE1      TYR  40   6.084   0.783   4.484
  292    HH   TYR  40           HH       TYR  40   7.375   2.833   4.736
  293    H    ASP  41           HN       ASP  41   8.773  -4.147   5.808
  294    HA   ASP  41           HA       ASP  41   8.590  -6.988   5.142
  295    HB2  ASP  41           HB2      ASP  41   7.828  -5.584   7.691
  296    HB3  ASP  41           HB1      ASP  41   7.864  -7.299   7.450
  297    H    SER  42           HN       SER  42   6.732  -7.987   4.713
  298    HA   SER  42           HA       SER  42   4.364  -6.775   4.116
  299    HB2  SER  42           HB2      SER  42   3.383  -9.062   4.359
  300    HB3  SER  42           HB1      SER  42   4.931  -8.933   3.487
  301    HG   SER  42           HG       SER  42   5.149 -10.628   4.811
  302    H    LEU  43           HN       LEU  43   5.449  -7.788   7.304
  303    HA   LEU  43           HA       LEU  43   3.011  -7.418   8.672
  304    HB2  LEU  43           HB2      LEU  43   5.022  -8.649   9.530
  305    HB3  LEU  43           HB1      LEU  43   5.833  -7.117   9.728
  306    HG   LEU  43           HG       LEU  43   3.303  -7.795  11.245
  307   HD11  LEU  43          HD11      LEU  43   4.756  -8.463  13.087
  308   HD12  LEU  43          HD12      LEU  43   6.166  -8.262  12.047
  309   HD13  LEU  43          HD13      LEU  43   4.974  -9.508  11.683
  310   HD21  LEU  43          HD21      LEU  43   5.567  -5.869  11.823
  311   HD22  LEU  43          HD22      LEU  43   4.142  -6.123  12.832
  312   HD23  LEU  43          HD23      LEU  43   3.971  -5.417  11.225
  313    H    ALA  44           HN       ALA  44   5.781  -5.256   8.139
  314    HA   ALA  44           HA       ALA  44   4.715  -2.995   9.449
  315    HB1  ALA  44           HB1      ALA  44   6.716  -3.120   7.186
  316    HB2  ALA  44           HB2      ALA  44   7.103  -3.211   8.906
  317    HB3  ALA  44           HB3      ALA  44   6.419  -1.730   8.228
  318    H    LEU  45           HN       LEU  45   4.475  -4.242   6.232
  319    HA   LEU  45           HA       LEU  45   3.183  -2.131   4.951
  320    HB2  LEU  45           HB2      LEU  45   4.189  -3.943   3.758
  321    HB3  LEU  45           HB1      LEU  45   3.129  -5.100   4.522
  322    HG   LEU  45           HG       LEU  45   1.222  -4.155   3.275
  323   HD11  LEU  45          HD11      LEU  45   2.072  -1.879   2.946
  324   HD12  LEU  45          HD12      LEU  45   1.633  -2.663   1.423
  325   HD13  LEU  45          HD13      LEU  45   3.332  -2.521   1.881
  326   HD21  LEU  45          HD21      LEU  45   3.584  -4.984   1.646
  327   HD22  LEU  45          HD22      LEU  45   1.899  -5.043   1.123
  328   HD23  LEU  45          HD23      LEU  45   2.449  -6.067   2.457
  329    H    MET  46           HN       MET  46   1.915  -4.730   7.004
  330    HA   MET  46           HA       MET  46  -0.792  -4.199   6.419
  331    HB2  MET  46           HB2      MET  46   0.312  -5.457   8.954
  332    HB3  MET  46           HB1      MET  46  -1.387  -5.378   8.475
  333    HG2  MET  46           HG2      MET  46  -0.904  -6.703   6.489
  334    HG3  MET  46           HG1      MET  46   0.785  -6.811   6.973
  335    HE1  MET  46           HE1      MET  46   0.518  -7.195  10.140
  336    HE2  MET  46           HE2      MET  46   1.621  -8.138   9.137
  337    HE3  MET  46           HE3      MET  46   0.532  -8.954  10.257
  338    H    GLU  47           HN       GLU  47   1.421  -2.760   8.685
  339    HA   GLU  47           HA       GLU  47  -0.408  -1.074  10.065
  340    HB2  GLU  47           HB2      GLU  47   1.868  -1.429  10.874
  341    HB3  GLU  47           HB1      GLU  47   2.533  -0.718   9.416
  342    HG2  GLU  47           HG2      GLU  47   2.751   0.853  11.202
  343    HG3  GLU  47           HG1      GLU  47   1.537   1.456  10.082
  344    H    THR  48           HN       THR  48   1.173  -0.893   7.022
  345    HA   THR  48           HA       THR  48   0.754   1.849   6.366
  346    HB   THR  48           HB       THR  48   1.060  -0.526   4.504
  347    HG1  THR  48           HG1      THR  48   2.927   0.787   6.126
  348   HG21  THR  48          HG21      THR  48   0.267   1.582   3.465
  349   HG22  THR  48          HG22      THR  48   1.844   1.083   2.885
  350   HG23  THR  48          HG23      THR  48   1.717   2.396   4.064
  351    H    ALA  49           HN       ALA  49  -0.682  -1.162   5.273
  352    HA   ALA  49           HA       ALA  49  -2.928  -0.203   3.974
  353    HB1  ALA  49           HB1      ALA  49  -2.564  -2.783   5.504
  354    HB2  ALA  49           HB2      ALA  49  -2.116  -2.510   3.822
  355    HB3  ALA  49           HB3      ALA  49  -3.811  -2.472   4.299
  356    H    ALA  50           HN       ALA  50  -2.337  -0.887   7.375
  357    HA   ALA  50           HA       ALA  50  -4.855  -0.692   8.310
  358    HB1  ALA  50           HB1      ALA  50  -3.920  -0.207  10.508
  359    HB2  ALA  50           HB2      ALA  50  -2.369   0.161   9.753
  360    HB3  ALA  50           HB3      ALA  50  -3.027  -1.477   9.668
  361    H    ARG  51           HN       ARG  51  -2.475   1.893   7.837
  362    HA   ARG  51           HA       ARG  51  -4.091   3.983   8.863
  363    HB2  ARG  51           HB2      ARG  51  -1.887   4.238   6.802
  364    HB3  ARG  51           HB1      ARG  51  -2.603   5.561   7.701
  365    HG2  ARG  51           HG2      ARG  51  -1.781   4.094   9.755
  366    HG3  ARG  51           HG1      ARG  51  -0.628   3.532   8.543
  367    HD2  ARG  51           HD2      ARG  51   0.326   5.418   9.693
  368    HD3  ARG  51           HD1      ARG  51  -0.082   5.905   8.044
  369    HE   ARG  51           HE       ARG  51  -2.206   6.406   9.872
  370   HH11  ARG  51          HH11      ARG  51   0.921   7.769   8.838
  371   HH12  ARG  51          HH12      ARG  51   0.473   9.374   9.224
  372   HH21  ARG  51          HH21      ARG  51  -2.772   8.685  10.363
  373   HH22  ARG  51          HH22      ARG  51  -1.631   9.897  10.013
  374    H    LEU  52           HN       LEU  52  -3.785   2.509   5.761
  375    HA   LEU  52           HA       LEU  52  -5.323   4.348   4.301
  376    HB2  LEU  52           HB2      LEU  52  -4.761   1.421   3.872
  377    HB3  LEU  52           HB1      LEU  52  -5.491   2.464   2.668
  378    HG   LEU  52           HG       LEU  52  -2.738   2.849   3.841
  379   HD11  LEU  52          HD11      LEU  52  -1.912   2.148   1.661
  380   HD12  LEU  52          HD12      LEU  52  -3.561   1.797   1.145
  381   HD13  LEU  52          HD13      LEU  52  -2.823   0.862   2.450
  382   HD21  LEU  52          HD21      LEU  52  -2.472   4.509   2.064
  383   HD22  LEU  52          HD22      LEU  52  -3.792   4.937   3.156
  384   HD23  LEU  52          HD23      LEU  52  -4.145   4.248   1.571
  385    H    GLU  53           HN       GLU  53  -6.122   1.319   5.943
  386    HA   GLU  53           HA       GLU  53  -8.884   1.252   5.519
  387    HB2  GLU  53           HB2      GLU  53  -7.371   0.426   7.998
  388    HB3  GLU  53           HB1      GLU  53  -9.007  -0.063   7.589
  389    HG2  GLU  53           HG2      GLU  53  -8.167  -1.236   5.635
  390    HG3  GLU  53           HG1      GLU  53  -6.527  -0.724   6.035
  391    H    SER  54           HN       SER  54  -6.987   2.786   7.980
  392    HA   SER  54           HA       SER  54  -8.981   3.829   9.608
  393    HB2  SER  54           HB2      SER  54  -6.561   3.576  10.149
  394    HB3  SER  54           HB1      SER  54  -6.205   4.906   9.058
  395    HG   SER  54           HG       SER  54  -6.623   5.028  11.523
  396    H    ARG  55           HN       ARG  55  -7.053   5.563   7.135
  397    HA   ARG  55           HA       ARG  55  -8.565   7.936   7.273
  398    HB2  ARG  55           HB2      ARG  55  -6.321   8.109   6.562
  399    HB3  ARG  55           HB1      ARG  55  -6.548   6.924   5.291
  400    HG2  ARG  55           HG2      ARG  55  -7.931   8.507   4.051
  401    HG3  ARG  55           HG1      ARG  55  -7.746   9.691   5.345
  402    HD2  ARG  55           HD2      ARG  55  -5.367   8.516   3.931
  403    HD3  ARG  55           HD1      ARG  55  -6.237   9.894   3.271
  404    HE   ARG  55           HE       ARG  55  -5.769  10.879   5.585
  405   HH11  ARG  55          HH11      ARG  55  -3.479   8.577   4.172
  406   HH12  ARG  55          HH12      ARG  55  -2.108   9.565   4.445
  407   HH21  ARG  55          HH21      ARG  55  -3.829  12.176   6.043
  408   HH22  ARG  55          HH22      ARG  55  -2.287  11.605   5.619
  409    H    TYR  56           HN       TYR  56  -8.825   5.190   5.029
  410    HA   TYR  56           HA       TYR  56 -10.759   6.754   3.521
  411    HB2  TYR  56           HB2      TYR  56  -9.329   4.197   2.840
  412    HB3  TYR  56           HB1      TYR  56 -10.617   4.871   1.846
  413    HD1  TYR  56           HD2      TYR  56  -7.204   5.404   3.098
  414    HD2  TYR  56           HD1      TYR  56 -10.223   6.790   0.447
  415    HE1  TYR  56           HE2      TYR  56  -5.544   6.804   1.957
  416    HE2  TYR  56           HE1      TYR  56  -8.570   8.196  -0.707
  417    HH   TYR  56           HH       TYR  56  -6.431   9.200  -0.332
  418    H    GLY  57           HN       GLY  57 -10.820   4.267   5.853
  419    HA2  GLY  57           HA2      GLY  57 -12.676   3.316   6.828
  420    HA3  GLY  57           HA1      GLY  57 -13.685   4.188   5.673
  421    H    VAL  58           HN       VAL  58 -11.331   1.579   5.771
  422    HA   VAL  58           HA       VAL  58 -13.080  -0.014   4.121
  423    HB   VAL  58           HB       VAL  58 -11.478   1.243   2.625
  424   HG11  VAL  58          HG11      VAL  58  -9.538   1.383   3.924
  425   HG12  VAL  58          HG12      VAL  58  -9.152   0.513   2.438
  426   HG13  VAL  58          HG13      VAL  58  -9.351  -0.372   3.954
  427   HG21  VAL  58          HG21      VAL  58 -11.209  -1.749   2.552
  428   HG22  VAL  58          HG22      VAL  58 -10.809  -0.660   1.225
  429   HG23  VAL  58          HG23      VAL  58 -12.474  -0.782   1.796
  430    H    SER  59           HN       SER  59 -11.875  -2.368   3.987
  431    HA   SER  59           HA       SER  59 -10.539  -2.852   6.521
  432    HB2  SER  59           HB2      SER  59 -12.124  -4.811   6.868
  433    HB3  SER  59           HB1      SER  59 -12.833  -3.212   7.090
  434    HG   SER  59           HG       SER  59 -13.008  -3.992   4.509
  435    H    ILE  60           HN       ILE  60  -8.721  -3.715   5.876
  436    HA   ILE  60           HA       ILE  60  -8.659  -5.305   3.423
  437    HB   ILE  60           HB       ILE  60  -6.399  -4.071   5.026
  438   HG12  ILE  60          HG12      ILE  60  -7.584  -3.199   2.383
  439   HG13  ILE  60          HG11      ILE  60  -7.959  -2.455   3.933
  440   HG21  ILE  60          HG21      ILE  60  -6.383  -5.382   2.294
  441   HG22  ILE  60          HG22      ILE  60  -5.678  -6.057   3.765
  442   HG23  ILE  60          HG23      ILE  60  -5.006  -4.587   3.062
  443   HD11  ILE  60          HD11      ILE  60  -6.333  -1.160   2.700
  444   HD12  ILE  60          HD12      ILE  60  -5.256  -2.561   2.635
  445   HD13  ILE  60          HD13      ILE  60  -5.629  -1.812   4.183
  446    HA   PRO  61           HA       PRO  61  -8.473  -8.951   6.017
  447    HB2  PRO  61           HB2      PRO  61  -7.485 -10.147   3.482
  448    HB3  PRO  61           HB1      PRO  61  -8.835 -10.650   4.506
  449    HG2  PRO  61           HG2      PRO  61  -9.271  -9.453   2.175
  450    HG3  PRO  61           HG1      PRO  61 -10.281  -9.089   3.588
  451    HD2  PRO  61           HD2      PRO  61  -8.048  -7.504   2.393
  452    HD3  PRO  61           HD1      PRO  61  -9.598  -6.943   3.055
  453    H    ASP  62           HN       ASP  62  -6.876  -9.516   7.272
  454    HA   ASP  62           HA       ASP  62  -4.247  -8.611   7.244
  455    HB2  ASP  62           HB2      ASP  62  -5.263 -11.149   8.549
  456    HB3  ASP  62           HB1      ASP  62  -3.737 -10.339   8.873
  457    H    ASP  63           HN       ASP  63  -5.598 -11.566   6.009
  458    HA   ASP  63           HA       ASP  63  -3.155 -12.910   5.520
  459    HB2  ASP  63           HB2      ASP  63  -5.930 -13.324   4.417
  460    HB3  ASP  63           HB1      ASP  63  -4.563 -14.337   3.970
  461    H    VAL  64           HN       VAL  64  -5.217 -10.882   3.575
  462    HA   VAL  64           HA       VAL  64  -3.680 -11.267   1.176
  463    HB   VAL  64           HB       VAL  64  -5.676  -9.073   1.846
  464   HG11  VAL  64          HG11      VAL  64  -4.235  -8.484  -0.030
  465   HG12  VAL  64          HG12      VAL  64  -5.878  -8.795  -0.578
  466   HG13  VAL  64          HG13      VAL  64  -4.622 -10.010  -0.825
  467   HG21  VAL  64          HG21      VAL  64  -7.303 -10.425   0.595
  468   HG22  VAL  64          HG22      VAL  64  -6.695 -11.282   2.013
  469   HG23  VAL  64          HG23      VAL  64  -6.095 -11.698   0.409
  470    H    ALA  65           HN       ALA  65  -3.974  -8.774   3.653
  471    HA   ALA  65           HA       ALA  65  -2.323  -6.800   2.628
  472    HB1  ALA  65           HB1      ALA  65  -3.787  -6.492   4.561
  473    HB2  ALA  65           HB2      ALA  65  -2.134  -6.004   4.935
  474    HB3  ALA  65           HB3      ALA  65  -2.754  -7.546   5.522
  475    H    GLY  66           HN       GLY  66  -1.480  -9.686   4.450
  476    HA2  GLY  66           HA2      GLY  66   1.341  -8.903   4.307
  477    HA3  GLY  66           HA1      GLY  66   0.674 -10.126   5.376
  478    H    ARG  67           HN       ARG  67  -0.376 -10.131   2.069
  479    HA   ARG  67           HA       ARG  67   1.599 -12.213   1.436
  480    HB2  ARG  67           HB2      ARG  67  -0.615 -13.165   2.220
  481    HB3  ARG  67           HB1      ARG  67  -1.339 -12.448   0.793
  482    HG2  ARG  67           HG2      ARG  67   0.069 -13.856  -0.620
  483    HG3  ARG  67           HG1      ARG  67   0.803 -14.565   0.820
  484    HD2  ARG  67           HD2      ARG  67  -2.117 -14.673   0.079
  485    HD3  ARG  67           HD1      ARG  67  -0.961 -15.992  -0.081
  486    HE   ARG  67           HE       ARG  67  -0.698 -15.766   2.402
  487   HH11  ARG  67          HH11      ARG  67  -3.722 -14.786   0.823
  488   HH12  ARG  67          HH12      ARG  67  -4.732 -15.355   2.089
  489   HH21  ARG  67          HH21      ARG  67  -2.111 -16.516   4.152
  490   HH22  ARG  67          HH22      ARG  67  -3.793 -16.266   4.073
  491    H    VAL  68           HN       VAL  68   0.481  -9.292   0.635
  492    HA   VAL  68           HA       VAL  68   0.464  -9.664  -2.215
  493    HB   VAL  68           HB       VAL  68   0.450  -7.111  -2.257
  494   HG11  VAL  68          HG11      VAL  68  -1.600  -8.426  -2.500
  495   HG12  VAL  68          HG12      VAL  68  -1.915  -6.963  -1.567
  496   HG13  VAL  68          HG13      VAL  68  -1.763  -8.515  -0.745
  497   HG21  VAL  68          HG21      VAL  68   1.417  -6.717  -0.049
  498   HG22  VAL  68          HG22      VAL  68   0.022  -7.484   0.710
  499   HG23  VAL  68          HG23      VAL  68  -0.177  -5.971  -0.173
  500    H    ASP  69           HN       ASP  69   2.189  -9.714  -3.421
  501    HA   ASP  69           HA       ASP  69   4.793  -9.214  -2.177
  502    HB2  ASP  69           HB2      ASP  69   4.104 -10.324  -4.899
  503    HB3  ASP  69           HB1      ASP  69   5.735 -10.089  -4.294
  504    H    THR  70           HN       THR  70   2.892  -7.915  -4.807
  505    HA   THR  70           HA       THR  70   4.889  -5.811  -4.939
  506    HB   THR  70           HB       THR  70   4.084  -5.522  -7.307
  507    HG1  THR  70           HG1      THR  70   3.186  -8.156  -7.330
  508   HG21  THR  70          HG21      THR  70   5.400  -7.452  -8.155
  509   HG22  THR  70          HG22      THR  70   5.347  -8.153  -6.529
  510   HG23  THR  70          HG23      THR  70   6.192  -6.635  -6.804
  511    HA   PRO  71           HA       PRO  71   1.825  -2.796  -3.847
  512    HB2  PRO  71           HB2      PRO  71   2.917  -1.298  -6.167
  513    HB3  PRO  71           HB1      PRO  71   2.705  -0.777  -4.487
  514    HG2  PRO  71           HG2      PRO  71   5.110  -1.367  -5.384
  515    HG3  PRO  71           HG1      PRO  71   4.600  -1.897  -3.766
  516    HD2  PRO  71           HD2      PRO  71   4.799  -3.454  -6.300
  517    HD3  PRO  71           HD1      PRO  71   5.237  -3.930  -4.644
  518    H    ARG  72           HN       ARG  72   2.217  -3.701  -7.203
  519    HA   ARG  72           HA       ARG  72  -0.123  -2.727  -8.323
  520    HB2  ARG  72           HB2      ARG  72   1.724  -3.954  -9.488
  521    HB3  ARG  72           HB1      ARG  72   1.076  -5.448  -8.831
  522    HG2  ARG  72           HG2      ARG  72  -1.062  -4.946 -10.012
  523    HG3  ARG  72           HG1      ARG  72  -0.245  -3.586 -10.787
  524    HD2  ARG  72           HD2      ARG  72   0.478  -6.504 -10.999
  525    HD3  ARG  72           HD1      ARG  72  -0.214  -5.462 -12.246
  526    HE   ARG  72           HE       ARG  72   1.816  -4.291 -12.369
  527   HH11  ARG  72          HH11      ARG  72   2.018  -7.238 -10.366
  528   HH12  ARG  72          HH12      ARG  72   3.686  -7.462 -10.583
  529   HH21  ARG  72          HH21      ARG  72   4.142  -4.677 -12.762
  530   HH22  ARG  72          HH22      ARG  72   4.932  -5.981 -11.984
  531    H    GLU  73           HN       GLU  73   0.411  -5.780  -6.610
  532    HA   GLU  73           HA       GLU  73  -2.187  -6.867  -6.748
  533    HB2  GLU  73           HB2      GLU  73   0.003  -7.261  -4.709
  534    HB3  GLU  73           HB1      GLU  73  -1.410  -8.290  -4.873
  535    HG2  GLU  73           HG2      GLU  73   0.609  -7.855  -7.046
  536    HG3  GLU  73           HG1      GLU  73   0.673  -9.177  -5.882
  537    H    LEU  74           HN       LEU  74  -0.520  -5.047  -4.259
  538    HA   LEU  74           HA       LEU  74  -2.600  -5.129  -2.354
  539    HB2  LEU  74           HB2      LEU  74  -0.216  -4.845  -1.794
  540    HB3  LEU  74           HB1      LEU  74  -0.190  -3.307  -2.608
  541    HG   LEU  74           HG       LEU  74  -0.166  -3.269  -0.062
  542   HD11  LEU  74          HD11      LEU  74  -2.319  -1.732  -1.435
  543   HD12  LEU  74          HD12      LEU  74  -0.615  -1.295  -1.319
  544   HD13  LEU  74          HD13      LEU  74  -1.612  -1.361   0.133
  545   HD21  LEU  74          HD21      LEU  74  -1.828  -5.004   0.351
  546   HD22  LEU  74          HD22      LEU  74  -3.066  -4.015  -0.422
  547   HD23  LEU  74          HD23      LEU  74  -2.320  -3.476   1.082
  548    H    LEU  75           HN       LEU  75  -1.586  -2.666  -4.679
  549    HA   LEU  75           HA       LEU  75  -3.380  -0.645  -4.023
  550    HB2  LEU  75           HB2      LEU  75  -1.419  -0.505  -5.599
  551    HB3  LEU  75           HB1      LEU  75  -2.392  -1.344  -6.788
  552    HG   LEU  75           HG       LEU  75  -4.012   0.534  -6.733
  553   HD11  LEU  75          HD11      LEU  75  -3.535   1.346  -4.494
  554   HD12  LEU  75          HD12      LEU  75  -3.330   2.631  -5.683
  555   HD13  LEU  75          HD13      LEU  75  -1.916   1.826  -5.000
  556   HD21  LEU  75          HD21      LEU  75  -1.158   1.284  -7.371
  557   HD22  LEU  75          HD22      LEU  75  -2.598   2.101  -7.977
  558   HD23  LEU  75          HD23      LEU  75  -2.268   0.431  -8.443
  559    H    ASP  76           HN       ASP  76  -3.670  -3.335  -6.304
  560    HA   ASP  76           HA       ASP  76  -6.177  -2.760  -7.391
  561    HB2  ASP  76           HB2      ASP  76  -4.802  -4.472  -8.378
  562    HB3  ASP  76           HB1      ASP  76  -4.891  -5.451  -6.917
  563    H    LEU  77           HN       LEU  77  -5.346  -4.746  -4.613
  564    HA   LEU  77           HA       LEU  77  -7.911  -5.658  -4.002
  565    HB2  LEU  77           HB2      LEU  77  -5.737  -6.555  -3.123
  566    HB3  LEU  77           HB1      LEU  77  -5.605  -5.150  -2.101
  567    HG   LEU  77           HG       LEU  77  -6.305  -7.263  -0.946
  568   HD11  LEU  77          HD11      LEU  77  -8.294  -5.013  -0.752
  569   HD12  LEU  77          HD12      LEU  77  -6.766  -5.143   0.124
  570   HD13  LEU  77          HD13      LEU  77  -8.062  -6.295   0.438
  571   HD21  LEU  77          HD21      LEU  77  -8.617  -8.023  -1.183
  572   HD22  LEU  77          HD22      LEU  77  -7.710  -8.191  -2.687
  573   HD23  LEU  77          HD23      LEU  77  -8.855  -6.865  -2.492
  574    H    ILE  78           HN       ILE  78  -6.128  -2.861  -2.781
  575    HA   ILE  78           HA       ILE  78  -8.249  -2.028  -1.088
  576    HB   ILE  78           HB       ILE  78  -5.962  -0.315  -2.115
  577   HG12  ILE  78          HG12      ILE  78  -6.175  -2.015   0.380
  578   HG13  ILE  78          HG11      ILE  78  -5.179  -2.376  -1.022
  579   HG21  ILE  78          HG21      ILE  78  -7.733  -0.060   0.331
  580   HG22  ILE  78          HG22      ILE  78  -7.820   0.955  -1.110
  581   HG23  ILE  78          HG23      ILE  78  -6.391   1.007  -0.085
  582   HD11  ILE  78          HD11      ILE  78  -3.837  -1.468   0.752
  583   HD12  ILE  78          HD12      ILE  78  -4.862  -0.034   0.833
  584   HD13  ILE  78          HD13      ILE  78  -3.883  -0.345  -0.604
  585    H    ASN  79           HN       ASN  79  -7.274  -1.153  -4.362
  586    HA   ASN  79           HA       ASN  79  -9.120   0.936  -4.739
  587    HB2  ASN  79           HB2      ASN  79  -7.696  -0.886  -6.658
  588    HB3  ASN  79           HB1      ASN  79  -8.962   0.171  -7.249
  589   HD21  ASN  79          HD21      ASN  79  -6.877   1.238  -4.635
  590   HD22  ASN  79          HD22      ASN  79  -5.973   2.350  -5.623
  591    H    GLY  80           HN       GLY  80  -9.428  -2.541  -5.274
  592    HA2  GLY  80           HA2      GLY  80 -12.011  -2.485  -6.397
  593    HA3  GLY  80           HA1      GLY  80 -11.266  -3.859  -5.588
  594    H    ALA  81           HN       ALA  81 -10.916  -2.811  -3.061
  595    HA   ALA  81           HA       ALA  81 -13.514  -3.114  -1.973
  596    HB1  ALA  81           HB1      ALA  81 -10.972  -2.188  -0.629
  597    HB2  ALA  81           HB2      ALA  81 -11.490  -3.863  -0.811
  598    HB3  ALA  81           HB3      ALA  81 -12.428  -2.753   0.187
  599    H    LEU  82           HN       LEU  82 -11.369  -0.296  -2.375
  600    HA   LEU  82           HA       LEU  82 -13.123   1.525  -1.124
  601    HB2  LEU  82           HB2      LEU  82 -10.742   1.826  -2.871
  602    HB3  LEU  82           HB1      LEU  82 -11.645   3.233  -2.394
  603    HG   LEU  82           HG       LEU  82 -10.192   1.300  -0.578
  604   HD11  LEU  82          HD11      LEU  82  -8.738   2.834  -1.792
  605   HD12  LEU  82          HD12      LEU  82  -8.792   3.241  -0.076
  606   HD13  LEU  82          HD13      LEU  82  -9.703   4.203  -1.237
  607   HD21  LEU  82          HD21      LEU  82 -10.837   2.798   1.246
  608   HD22  LEU  82          HD22      LEU  82 -12.255   2.087   0.478
  609   HD23  LEU  82          HD23      LEU  82 -11.801   3.754   0.124
  610    H    ALA  83           HN       ALA  83 -13.192   0.137  -4.222
  611    HA   ALA  83           HA       ALA  83 -14.599   2.147  -5.593
  612    HB1  ALA  83           HB1      ALA  83 -15.360   0.360  -7.088
  613    HB2  ALA  83           HB2      ALA  83 -14.815  -0.851  -5.926
  614    HB3  ALA  83           HB3      ALA  83 -13.639   0.189  -6.731
  615    H    GLU  84           HN       GLU  84 -15.482  -0.007  -3.070
  616    HA   GLU  84           HA       GLU  84 -18.333   0.348  -3.481
  617    HB2  GLU  84           HB2      GLU  84 -16.840  -1.118  -1.305
  618    HB3  GLU  84           HB1      GLU  84 -18.575  -1.175  -1.580
  619    HG2  GLU  84           HG2      GLU  84 -16.414  -2.233  -3.387
  620    HG3  GLU  84           HG1      GLU  84 -17.553  -3.173  -2.426
  621    H    ALA  85           HN       ALA  85 -16.030   2.292  -2.319
  622    HA   ALA  85           HA       ALA  85 -17.478   3.186   0.045
  623    HB1  ALA  85           HB1      ALA  85 -15.540   4.637   0.438
  624    HB2  ALA  85           HB2      ALA  85 -14.827   4.108  -1.085
  625    HB3  ALA  85           HB3      ALA  85 -15.036   2.959   0.237
  626    H    ALA  86           HN       ALA  86 -18.380   5.212   0.180
  627    HA   ALA  86           HA       ALA  86 -18.417   6.853  -2.219
  628    HB1  ALA  86           HB1      ALA  86 -20.864   7.070  -2.089
  629    HB2  ALA  86           HB2      ALA  86 -20.900   5.895  -0.775
  630    HB3  ALA  86           HB3      ALA  86 -20.391   5.397  -2.386
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1 -10.783  16.343  -3.852
    2    H2   MET   1           HT2      MET   1 -12.092  15.994  -4.853
    3    H3   MET   1           HT3      MET   1 -10.530  15.343  -5.189
    4    HA   MET   1           HA       MET   1 -12.171  14.728  -2.819
    5    HB2  MET   1           HB2      MET   1 -11.407  13.036  -5.217
    6    HB3  MET   1           HB1      MET   1 -12.166  12.417  -3.764
    7    HG2  MET   1           HG2      MET   1 -14.131  13.792  -4.222
    8    HG3  MET   1           HG1      MET   1 -13.358  14.387  -5.691
    9    HE1  MET   1           HE1      MET   1 -13.121  11.099  -7.857
   10    HE2  MET   1           HE2      MET   1 -11.891  11.741  -6.768
   11    HE3  MET   1           HE3      MET   1 -12.800  12.832  -7.814
   12    H    ALA   2           HN       ALA   2 -11.195  12.835  -1.704
   13    HA   ALA   2           HA       ALA   2  -8.299  12.646  -2.022
   14    HB1  ALA   2           HB1      ALA   2  -8.688  14.337  -0.296
   15    HB2  ALA   2           HB2      ALA   2  -7.981  12.877   0.396
   16    HB3  ALA   2           HB3      ALA   2  -9.704  13.201   0.594
   17    H    THR   3           HN       THR   3 -10.666  10.927  -2.615
   18    HA   THR   3           HA       THR   3  -9.849   8.656  -0.939
   19    HB   THR   3           HB       THR   3 -12.058   9.346  -0.123
   20    HG1  THR   3           HG1      THR   3 -13.178   7.286  -1.204
   21   HG21  THR   3          HG21      THR   3 -12.912  10.530  -2.089
   22   HG22  THR   3          HG22      THR   3 -14.059   9.290  -1.578
   23   HG23  THR   3          HG23      THR   3 -13.021   9.009  -2.977
   24    H    LEU   4           HN       LEU   4  -8.542   7.772  -2.055
   25    HA   LEU   4           HA       LEU   4  -9.058   5.639  -3.440
   26    HB2  LEU   4           HB2      LEU   4  -9.900   7.231  -5.314
   27    HB3  LEU   4           HB1      LEU   4  -8.215   7.764  -5.380
   28    HG   LEU   4           HG       LEU   4  -7.532   5.601  -5.750
   29   HD11  LEU   4          HD11      LEU   4 -10.484   4.925  -6.122
   30   HD12  LEU   4          HD12      LEU   4  -9.389   4.253  -4.921
   31   HD13  LEU   4          HD13      LEU   4  -9.181   3.848  -6.621
   32   HD21  LEU   4          HD21      LEU   4  -7.689   7.062  -7.627
   33   HD22  LEU   4          HD22      LEU   4  -9.402   6.699  -7.838
   34   HD23  LEU   4          HD23      LEU   4  -8.190   5.462  -8.175
   35    H    LEU   5           HN       LEU   5  -6.965   4.768  -4.167
   36    HA   LEU   5           HA       LEU   5  -4.670   6.395  -3.387
   37    HB2  LEU   5           HB2      LEU   5  -5.151   3.434  -3.248
   38    HB3  LEU   5           HB1      LEU   5  -3.610   4.207  -2.969
   39    HG   LEU   5           HG       LEU   5  -6.064   4.728  -1.301
   40   HD11  LEU   5          HD11      LEU   5  -5.031   3.252   0.336
   41   HD12  LEU   5          HD12      LEU   5  -3.741   2.870  -0.816
   42   HD13  LEU   5          HD13      LEU   5  -5.399   2.392  -1.157
   43   HD21  LEU   5          HD21      LEU   5  -4.379   6.503  -1.275
   44   HD22  LEU   5          HD22      LEU   5  -3.133   5.324  -0.871
   45   HD23  LEU   5          HD23      LEU   5  -4.438   5.658   0.272
   46    H    THR   6           HN       THR   6  -3.552   6.896  -5.224
   47    HA   THR   6           HA       THR   6  -3.589   4.910  -7.339
   48    HB   THR   6           HB       THR   6  -2.514   6.625  -8.766
   49    HG1  THR   6           HG1      THR   6  -2.798   8.320  -6.478
   50   HG21  THR   6          HG21      THR   6  -4.393   8.197  -8.907
   51   HG22  THR   6          HG22      THR   6  -4.959   7.660  -7.326
   52   HG23  THR   6          HG23      THR   6  -4.958   6.540  -8.690
   53    H    THR   7           HN       THR   7  -1.100   5.300  -8.464
   54    HA   THR   7           HA       THR   7   0.545   3.655  -7.058
   55    HB   THR   7           HB       THR   7   1.493   5.809  -8.921
   56    HG1  THR   7           HG1      THR   7   0.747   3.747 -10.338
   57   HG21  THR   7          HG21      THR   7   2.159   2.873  -8.573
   58   HG22  THR   7          HG22      THR   7   3.143   4.219  -7.994
   59   HG23  THR   7          HG23      THR   7   2.919   3.970  -9.725
   60    H    ASP   8           HN       ASP   8   0.816   7.240  -7.349
   61    HA   ASP   8           HA       ASP   8   2.998   7.307  -5.524
   62    HB2  ASP   8           HB2      ASP   8   2.636   8.972  -7.381
   63    HB3  ASP   8           HB1      ASP   8   1.367   9.691  -6.390
   64    H    ASP   9           HN       ASP   9  -0.454   7.659  -5.141
   65    HA   ASP   9           HA       ASP   9  -0.396   8.790  -2.503
   66    HB2  ASP   9           HB2      ASP   9  -2.518   6.942  -3.652
   67    HB3  ASP   9           HB1      ASP   9  -2.666   7.834  -2.158
   68    H    LEU  10           HN       LEU  10  -0.330   5.548  -3.802
   69    HA   LEU  10           HA       LEU  10  -0.447   4.159  -1.354
   70    HB2  LEU  10           HB2      LEU  10  -0.720   3.298  -3.774
   71    HB3  LEU  10           HB1      LEU  10   1.030   3.208  -3.790
   72    HG   LEU  10           HG       LEU  10   0.863   1.734  -1.760
   73   HD11  LEU  10          HD11      LEU  10  -1.354   2.372  -1.049
   74   HD12  LEU  10          HD12      LEU  10  -1.319   0.639  -1.387
   75   HD13  LEU  10          HD13      LEU  10  -2.042   1.757  -2.545
   76   HD21  LEU  10          HD21      LEU  10   0.287  -0.257  -3.071
   77   HD22  LEU  10          HD22      LEU  10   1.305   0.845  -4.001
   78   HD23  LEU  10          HD23      LEU  10  -0.429   0.767  -4.314
   79    H    ARG  11           HN       ARG  11   2.191   5.202  -3.425
   80    HA   ARG  11           HA       ARG  11   4.438   4.413  -2.034
   81    HB2  ARG  11           HB2      ARG  11   4.542   5.423  -4.238
   82    HB3  ARG  11           HB1      ARG  11   3.855   6.911  -3.646
   83    HG2  ARG  11           HG2      ARG  11   6.555   5.972  -2.719
   84    HG3  ARG  11           HG1      ARG  11   6.359   6.802  -4.256
   85    HD2  ARG  11           HD2      ARG  11   5.257   8.677  -2.975
   86    HD3  ARG  11           HD1      ARG  11   5.740   7.849  -1.495
   87    HE   ARG  11           HE       ARG  11   7.962   8.205  -3.199
   88   HH11  ARG  11          HH11      ARG  11   5.906  10.006  -0.931
   89   HH12  ARG  11          HH12      ARG  11   7.037  11.244  -0.690
   90   HH21  ARG  11          HH21      ARG  11   9.471   9.941  -2.920
   91   HH22  ARG  11          HH22      ARG  11   9.156  11.195  -1.801
   92    H    ARG  12           HN       ARG  12   2.627   7.394  -1.677
   93    HA   ARG  12           HA       ARG  12   3.988   8.651   0.385
   94    HB2  ARG  12           HB2      ARG  12   2.161   9.397  -1.201
   95    HB3  ARG  12           HB1      ARG  12   1.038   8.686  -0.066
   96    HG2  ARG  12           HG2      ARG  12   1.683  10.236   1.640
   97    HG3  ARG  12           HG1      ARG  12   2.966  10.891   0.609
   98    HD2  ARG  12           HD2      ARG  12   0.012  10.967   0.132
   99    HD3  ARG  12           HD1      ARG  12   1.068  12.354   0.441
  100    HE   ARG  12           HE       ARG  12   2.213  11.311  -1.728
  101   HH11  ARG  12          HH11      ARG  12  -1.191  12.215  -1.147
  102   HH12  ARG  12          HH12      ARG  12  -1.545  12.341  -2.798
  103   HH21  ARG  12          HH21      ARG  12   1.618  11.404  -4.036
  104   HH22  ARG  12          HH22      ARG  12   0.013  11.830  -4.440
  105    H    ALA  13           HN       ALA  13   1.304   6.356   0.469
  106    HA   ALA  13           HA       ALA  13   0.791   6.393   3.220
  107    HB1  ALA  13           HB1      ALA  13   0.360   4.153   1.239
  108    HB2  ALA  13           HB2      ALA  13  -0.767   5.469   1.573
  109    HB3  ALA  13           HB3      ALA  13  -0.397   4.285   2.828
  110    H    LEU  14           HN       LEU  14   2.878   4.322   1.230
  111    HA   LEU  14           HA       LEU  14   3.793   2.710   3.324
  112    HB2  LEU  14           HB2      LEU  14   4.792   3.293   0.572
  113    HB3  LEU  14           HB1      LEU  14   5.871   2.500   1.693
  114    HG   LEU  14           HG       LEU  14   4.195   0.687   1.958
  115   HD11  LEU  14          HD11      LEU  14   2.750   2.034  -0.296
  116   HD12  LEU  14          HD12      LEU  14   2.197   1.855   1.370
  117   HD13  LEU  14          HD13      LEU  14   2.402   0.427   0.356
  118   HD21  LEU  14          HD21      LEU  14   6.062   0.415   0.456
  119   HD22  LEU  14          HD22      LEU  14   5.158   1.189  -0.845
  120   HD23  LEU  14          HD23      LEU  14   4.630  -0.368  -0.210
  121    H    VAL  15           HN       VAL  15   5.034   5.726   1.999
  122    HA   VAL  15           HA       VAL  15   7.410   5.959   3.468
  123    HB   VAL  15           HB       VAL  15   5.503   8.212   2.721
  124   HG11  VAL  15          HG11      VAL  15   8.449   8.296   3.374
  125   HG12  VAL  15          HG12      VAL  15   7.141   8.915   4.384
  126   HG13  VAL  15          HG13      VAL  15   7.477   9.661   2.822
  127   HG21  VAL  15          HG21      VAL  15   6.163   6.917   0.784
  128   HG22  VAL  15          HG22      VAL  15   7.864   7.097   1.219
  129   HG23  VAL  15          HG23      VAL  15   6.914   8.512   0.756
  130    H    GLU  16           HN       GLU  16   4.212   7.253   4.247
  131    HA   GLU  16           HA       GLU  16   4.689   8.339   6.749
  132    HB2  GLU  16           HB2      GLU  16   2.253   7.077   5.543
  133    HB3  GLU  16           HB1      GLU  16   2.233   7.812   7.135
  134    HG2  GLU  16           HG2      GLU  16   3.068   9.251   4.651
  135    HG3  GLU  16           HG1      GLU  16   1.413   9.236   5.249
  136    H    SER  17           HN       SER  17   3.611   5.059   5.961
  137    HA   SER  17           HA       SER  17   3.322   4.350   8.714
  138    HB2  SER  17           HB2      SER  17   3.291   2.477   6.361
  139    HB3  SER  17           HB1      SER  17   2.466   2.303   7.892
  140    HG   SER  17           HG       SER  17   1.914   4.009   5.757
  141    H    ALA  18           HN       ALA  18   6.001   4.492   6.678
  142    HA   ALA  18           HA       ALA  18   7.412   2.320   8.042
  143    HB1  ALA  18           HB1      ALA  18   9.166   2.674   6.386
  144    HB2  ALA  18           HB2      ALA  18   8.286   4.061   5.740
  145    HB3  ALA  18           HB3      ALA  18   7.602   2.441   5.604
  146    H    GLY  19           HN       GLY  19   6.767   5.465   8.613
  147    HA2  GLY  19           HA2      GLY  19   7.724   6.813  10.281
  148    HA3  GLY  19           HA1      GLY  19   9.135   5.760  10.279
  149    H    GLU  20           HN       GLU  20   8.050   6.722   7.241
  150    HA   GLU  20           HA       GLU  20   8.792   8.008   5.600
  151    HB2  GLU  20           HB2      GLU  20   9.409   9.939   7.835
  152    HB3  GLU  20           HB1      GLU  20   9.379  10.356   6.128
  153    HG2  GLU  20           HG2      GLU  20   7.024   9.902   6.000
  154    HG3  GLU  20           HG1      GLU  20   7.015   9.278   7.650
  155    H    THR  21           HN       THR  21  10.498   6.226   5.545
  156    HA   THR  21           HA       THR  21  13.175   7.088   6.136
  157    HB   THR  21           HB       THR  21  12.549   4.700   4.420
  158    HG1  THR  21           HG1      THR  21  12.148   3.713   6.691
  159   HG21  THR  21          HG21      THR  21  14.291   5.102   6.873
  160   HG22  THR  21          HG22      THR  21  14.880   5.194   5.218
  161   HG23  THR  21          HG23      THR  21  14.262   3.669   5.852
  162    H    ASP  22           HN       ASP  22  14.247   5.812   3.546
  163    HA   ASP  22           HA       ASP  22  13.829   8.126   1.845
  164    HB2  ASP  22           HB2      ASP  22  15.769   7.372   0.607
  165    HB3  ASP  22           HB1      ASP  22  16.159   7.286   2.318
  166    H    GLY  23           HN       GLY  23  13.345   4.637   1.925
  167    HA2  GLY  23           HA2      GLY  23  11.481   3.596   0.967
  168    HA3  GLY  23           HA1      GLY  23  11.289   4.964  -0.112
  169    H    THR  24           HN       THR  24  14.543   4.053  -0.113
  170    HA   THR  24           HA       THR  24  15.833   3.384  -1.773
  171    HB   THR  24           HB       THR  24  15.629   1.285  -0.510
  172    HG1  THR  24           HG1      THR  24  15.858   1.082  -3.294
  173   HG21  THR  24          HG21      THR  24  13.227   0.878  -0.665
  174   HG22  THR  24          HG22      THR  24  14.134  -0.539  -1.195
  175   HG23  THR  24          HG23      THR  24  13.390   0.528  -2.385
  176    H    ASP  25           HN       ASP  25  14.454   5.033  -2.856
  177    HA   ASP  25           HA       ASP  25  13.440   5.951  -4.599
  178    HB2  ASP  25           HB2      ASP  25  15.396   4.959  -5.827
  179    HB3  ASP  25           HB1      ASP  25  14.373   3.584  -6.240
  180    H    LEU  26           HN       LEU  26  11.553   5.807  -3.718
  181    HA   LEU  26           HA       LEU  26   9.771   3.553  -4.401
  182    HB2  LEU  26           HB2      LEU  26  10.321   4.222  -2.000
  183    HB3  LEU  26           HB1      LEU  26   9.400   5.675  -2.301
  184    HG   LEU  26           HG       LEU  26   7.415   4.213  -2.783
  185   HD11  LEU  26          HD11      LEU  26   9.241   2.093  -1.667
  186   HD12  LEU  26          HD12      LEU  26   8.617   2.173  -3.315
  187   HD13  LEU  26          HD13      LEU  26   7.511   1.909  -1.966
  188   HD21  LEU  26          HD21      LEU  26   8.682   3.987  -0.052
  189   HD22  LEU  26          HD22      LEU  26   6.972   3.750  -0.419
  190   HD23  LEU  26          HD23      LEU  26   7.708   5.339  -0.633
  191    H    SER  27           HN       SER  27  10.389   6.912  -4.791
  192    HA   SER  27           HA       SER  27   7.848   8.010  -5.080
  193    HB2  SER  27           HB2      SER  27  10.393   8.891  -6.423
  194    HB3  SER  27           HB1      SER  27   8.989   9.890  -6.034
  195    HG   SER  27           HG       SER  27  10.987   8.871  -4.406
  196    H    GLY  28           HN       GLY  28   6.340   7.794  -6.597
  197    HA2  GLY  28           HA2      GLY  28   5.585   7.967  -8.798
  198    HA3  GLY  28           HA1      GLY  28   7.161   7.434  -9.360
  199    H    ASP  29           HN       ASP  29   6.642   5.774 -10.560
  200    HA   ASP  29           HA       ASP  29   4.720   3.796  -9.668
  201    HB2  ASP  29           HB2      ASP  29   4.656   4.431 -12.013
  202    HB3  ASP  29           HB1      ASP  29   6.349   3.990 -12.211
  203    H    PHE  30           HN       PHE  30   5.504   2.594  -8.100
  204    HA   PHE  30           HA       PHE  30   8.079   1.250  -8.563
  205    HB2  PHE  30           HB2      PHE  30   8.338   1.054  -6.163
  206    HB3  PHE  30           HB1      PHE  30   7.981   2.730  -6.540
  207    HD1  PHE  30           HD1      PHE  30   5.475   3.460  -6.240
  208    HD2  PHE  30           HD2      PHE  30   7.154  -0.062  -4.530
  209    HE1  PHE  30           HE1      PHE  30   3.664   3.401  -4.574
  210    HE2  PHE  30           HE2      PHE  30   5.353  -0.130  -2.867
  211    HZ   PHE  30           HZ       PHE  30   3.594   1.608  -2.889
  212    H    LEU  31           HN       LEU  31   5.172   0.670  -9.296
  213    HA   LEU  31           HA       LEU  31   4.079  -1.367  -7.785
  214    HB2  LEU  31           HB2      LEU  31   3.711  -0.923 -10.727
  215    HB3  LEU  31           HB1      LEU  31   2.742  -2.006  -9.757
  216    HG   LEU  31           HG       LEU  31   2.853   1.002  -9.604
  217   HD11  LEU  31          HD11      LEU  31   0.483   0.830 -10.125
  218   HD12  LEU  31          HD12      LEU  31   0.633  -0.925 -10.199
  219   HD13  LEU  31          HD13      LEU  31   1.480   0.084 -11.377
  220   HD21  LEU  31          HD21      LEU  31   2.743   0.124  -7.324
  221   HD22  LEU  31          HD22      LEU  31   1.384  -0.903  -7.778
  222   HD23  LEU  31          HD23      LEU  31   1.206   0.853  -7.794
  223    H    ASP  32           HN       ASP  32   6.761  -1.724  -9.892
  224    HA   ASP  32           HA       ASP  32   6.410  -4.616 -10.126
  225    HB2  ASP  32           HB2      ASP  32   7.305  -3.502 -12.066
  226    HB3  ASP  32           HB1      ASP  32   8.578  -2.752 -11.109
  227    H    LEU  33           HN       LEU  33   7.936  -2.397  -8.047
  228    HA   LEU  33           HA       LEU  33  10.096  -4.124  -7.285
  229    HB2  LEU  33           HB2      LEU  33   9.110  -1.498  -6.177
  230    HB3  LEU  33           HB1      LEU  33  10.433  -2.392  -5.472
  231    HG   LEU  33           HG       LEU  33  11.679  -2.123  -7.633
  232   HD11  LEU  33          HD11      LEU  33  10.978  -0.391  -9.195
  233   HD12  LEU  33          HD12      LEU  33   9.464  -0.199  -8.310
  234   HD13  LEU  33          HD13      LEU  33   9.812  -1.715  -9.142
  235   HD21  LEU  33          HD21      LEU  33  12.115  -0.720  -5.717
  236   HD22  LEU  33          HD22      LEU  33  10.833   0.386  -6.213
  237   HD23  LEU  33          HD23      LEU  33  12.274   0.202  -7.211
  238    H    ARG  34           HN       ARG  34   9.918  -5.690  -5.977
  239    HA   ARG  34           HA       ARG  34   7.462  -6.332  -4.642
  240    HB2  ARG  34           HB2      ARG  34  10.192  -7.585  -4.307
  241    HB3  ARG  34           HB1      ARG  34   8.651  -8.301  -3.860
  242    HG2  ARG  34           HG2      ARG  34   8.008  -8.420  -6.208
  243    HG3  ARG  34           HG1      ARG  34   9.529  -7.630  -6.645
  244    HD2  ARG  34           HD2      ARG  34   9.651 -10.063  -6.965
  245    HD3  ARG  34           HD1      ARG  34  10.789  -9.507  -5.734
  246    HE   ARG  34           HE       ARG  34   8.183 -10.399  -4.846
  247   HH11  ARG  34          HH11      ARG  34  11.618 -11.313  -5.294
  248   HH12  ARG  34          HH12      ARG  34  11.571 -12.491  -4.075
  249   HH21  ARG  34          HH21      ARG  34   8.187 -11.979  -3.207
  250   HH22  ARG  34          HH22      ARG  34   9.595 -12.917  -2.869
  251    H    PHE  35           HN       PHE  35   7.063  -6.331  -2.426
  252    HA   PHE  35           HA       PHE  35   8.121  -4.165  -1.045
  253    HB2  PHE  35           HB2      PHE  35   6.652  -6.484   0.238
  254    HB3  PHE  35           HB1      PHE  35   6.925  -4.876   0.916
  255    HD1  PHE  35           HD1      PHE  35   6.031  -2.903  -0.375
  256    HD2  PHE  35           HD2      PHE  35   4.695  -6.881  -0.963
  257    HE1  PHE  35           HE1      PHE  35   3.961  -2.049  -1.352
  258    HE2  PHE  35           HE2      PHE  35   2.600  -6.027  -1.951
  259    HZ   PHE  35           HZ       PHE  35   2.213  -3.753  -2.185
  260    H    GLU  36           HN       GLU  36   8.953  -7.607  -0.632
  261    HA   GLU  36           HA       GLU  36  10.756  -7.156   1.493
  262    HB2  GLU  36           HB2      GLU  36  11.772  -9.309   0.942
  263    HB3  GLU  36           HB1      GLU  36  10.019  -9.410   0.950
  264    HG2  GLU  36           HG2      GLU  36   9.935  -9.483  -1.417
  265    HG3  GLU  36           HG1      GLU  36  11.648  -9.078  -1.549
  266    H    ASP  37           HN       ASP  37  11.061  -6.689  -1.883
  267    HA   ASP  37           HA       ASP  37  13.939  -6.577  -1.901
  268    HB2  ASP  37           HB2      ASP  37  12.701  -7.514  -3.807
  269    HB3  ASP  37           HB1      ASP  37  11.885  -5.980  -4.048
  270    H    ILE  38           HN       ILE  38  11.311  -4.431  -1.398
  271    HA   ILE  38           HA       ILE  38  13.172  -2.208  -1.541
  272    HB   ILE  38           HB       ILE  38  11.246  -0.666  -1.257
  273   HG12  ILE  38          HG12      ILE  38   9.560  -3.166  -1.564
  274   HG13  ILE  38          HG11      ILE  38   9.699  -2.198  -0.103
  275   HG21  ILE  38          HG21      ILE  38  10.350  -0.952  -3.515
  276   HG22  ILE  38          HG22      ILE  38  11.067  -2.561  -3.577
  277   HG23  ILE  38          HG23      ILE  38  12.103  -1.139  -3.447
  278   HD11  ILE  38          HD11      ILE  38   7.623  -1.739  -1.283
  279   HD12  ILE  38          HD12      ILE  38   8.528  -1.289  -2.726
  280   HD13  ILE  38          HD13      ILE  38   8.658  -0.313  -1.266
  281    H    GLY  39           HN       GLY  39  12.789  -4.349   0.568
  282    HA2  GLY  39           HA2      GLY  39  13.591  -4.386   2.740
  283    HA3  GLY  39           HA1      GLY  39  13.668  -2.636   2.702
  284    H    TYR  40           HN       TYR  40  10.648  -4.064   1.904
  285    HA   TYR  40           HA       TYR  40   9.579  -3.072   4.427
  286    HB2  TYR  40           HB2      TYR  40   8.462  -3.453   1.706
  287    HB3  TYR  40           HB1      TYR  40   7.371  -3.592   3.074
  288    HD1  TYR  40           HD2      TYR  40  10.033  -1.366   1.773
  289    HD2  TYR  40           HD1      TYR  40   6.295  -1.641   3.770
  290    HE1  TYR  40           HE2      TYR  40   9.914   1.037   1.797
  291    HE2  TYR  40           HE1      TYR  40   6.128   0.808   3.816
  292    HH   TYR  40           HH       TYR  40   8.222   2.830   2.009
  293    H    ASP  41           HN       ASP  41   8.939  -4.389   5.937
  294    HA   ASP  41           HA       ASP  41   8.620  -7.233   5.377
  295    HB2  ASP  41           HB2      ASP  41   8.232  -5.710   7.960
  296    HB3  ASP  41           HB1      ASP  41   8.099  -7.436   7.780
  297    H    SER  42           HN       SER  42   6.659  -8.306   5.674
  298    HA   SER  42           HA       SER  42   4.367  -7.053   4.854
  299    HB2  SER  42           HB2      SER  42   3.203  -9.111   5.620
  300    HB3  SER  42           HB1      SER  42   4.679  -9.368   4.671
  301    HG   SER  42           HG       SER  42   5.252 -10.616   6.257
  302    H    LEU  43           HN       LEU  43   5.667  -7.232   8.064
  303    HA   LEU  43           HA       LEU  43   3.369  -6.672   9.585
  304    HB2  LEU  43           HB2      LEU  43   5.684  -7.435  10.367
  305    HB3  LEU  43           HB1      LEU  43   6.200  -5.779  10.190
  306    HG   LEU  43           HG       LEU  43   5.787  -6.431  12.532
  307   HD11  LEU  43          HD11      LEU  43   4.422  -4.554  13.234
  308   HD12  LEU  43          HD12      LEU  43   3.875  -4.329  11.572
  309   HD13  LEU  43          HD13      LEU  43   5.574  -4.094  11.980
  310   HD21  LEU  43          HD21      LEU  43   4.016  -8.029  12.200
  311   HD22  LEU  43          HD22      LEU  43   2.933  -6.746  11.660
  312   HD23  LEU  43          HD23      LEU  43   3.504  -6.775  13.329
  313    H    ALA  44           HN       ALA  44   5.946  -4.386   8.553
  314    HA   ALA  44           HA       ALA  44   4.592  -2.033   9.218
  315    HB1  ALA  44           HB1      ALA  44   6.188  -0.889   7.756
  316    HB2  ALA  44           HB2      ALA  44   6.640  -2.436   7.033
  317    HB3  ALA  44           HB3      ALA  44   6.998  -2.118   8.729
  318    H    LEU  45           HN       LEU  45   4.523  -4.001   6.376
  319    HA   LEU  45           HA       LEU  45   3.195  -2.286   4.627
  320    HB2  LEU  45           HB2      LEU  45   4.342  -4.303   3.934
  321    HB3  LEU  45           HB1      LEU  45   3.198  -5.292   4.811
  322    HG   LEU  45           HG       LEU  45   1.429  -4.639   3.240
  323   HD11  LEU  45          HD11      LEU  45   2.004  -3.413   1.218
  324   HD12  LEU  45          HD12      LEU  45   3.649  -3.192   1.819
  325   HD13  LEU  45          HD13      LEU  45   2.294  -2.422   2.655
  326   HD21  LEU  45          HD21      LEU  45   2.306  -5.856   1.322
  327   HD22  LEU  45          HD22      LEU  45   2.785  -6.625   2.843
  328   HD23  LEU  45          HD23      LEU  45   3.942  -5.639   1.943
  329    H    MET  46           HN       MET  46   1.923  -4.738   6.891
  330    HA   MET  46           HA       MET  46  -0.813  -4.344   6.286
  331    HB2  MET  46           HB2      MET  46   0.335  -5.291   8.927
  332    HB3  MET  46           HB1      MET  46  -1.337  -5.408   8.366
  333    HG2  MET  46           HG2      MET  46  -0.758  -6.946   6.663
  334    HG3  MET  46           HG1      MET  46   0.962  -6.713   6.955
  335    HE1  MET  46           HE1      MET  46  -0.295  -9.579   6.753
  336    HE2  MET  46           HE2      MET  46   0.477 -10.385   8.119
  337    HE3  MET  46           HE3      MET  46   1.406  -9.280   7.106
  338    H    GLU  47           HN       GLU  47   1.301  -2.869   8.676
  339    HA   GLU  47           HA       GLU  47  -0.629  -1.221   9.900
  340    HB2  GLU  47           HB2      GLU  47   1.486  -1.637  10.978
  341    HB3  GLU  47           HB1      GLU  47   2.368  -0.917   9.643
  342    HG2  GLU  47           HG2      GLU  47   1.622   1.247  10.208
  343    HG3  GLU  47           HG1      GLU  47   0.462   0.635  11.376
  344    H    THR  48           HN       THR  48   1.076  -0.942   7.011
  345    HA   THR  48           HA       THR  48   0.719   1.833   6.424
  346    HB   THR  48           HB       THR  48   1.051  -0.528   4.534
  347    HG1  THR  48           HG1      THR  48   2.834  -0.134   6.062
  348   HG21  THR  48          HG21      THR  48   0.150   1.448   3.409
  349   HG22  THR  48          HG22      THR  48   1.816   1.140   2.911
  350   HG23  THR  48          HG23      THR  48   1.464   2.426   4.066
  351    H    ALA  49           HN       ALA  49  -0.818  -1.125   5.345
  352    HA   ALA  49           HA       ALA  49  -3.053  -0.084   4.089
  353    HB1  ALA  49           HB1      ALA  49  -2.742  -2.698   5.557
  354    HB2  ALA  49           HB2      ALA  49  -2.290  -2.399   3.881
  355    HB3  ALA  49           HB3      ALA  49  -3.983  -2.326   4.363
  356    H    ALA  50           HN       ALA  50  -2.411  -0.722   7.494
  357    HA   ALA  50           HA       ALA  50  -4.916  -0.678   8.463
  358    HB1  ALA  50           HB1      ALA  50  -3.024  -1.338   9.816
  359    HB2  ALA  50           HB2      ALA  50  -3.990  -0.116  10.651
  360    HB3  ALA  50           HB3      ALA  50  -2.468   0.338   9.882
  361    H    ARG  51           HN       ARG  51  -2.700   2.027   8.039
  362    HA   ARG  51           HA       ARG  51  -4.399   4.069   9.040
  363    HB2  ARG  51           HB2      ARG  51  -2.160   4.269   7.013
  364    HB3  ARG  51           HB1      ARG  51  -2.925   5.644   7.793
  365    HG2  ARG  51           HG2      ARG  51  -2.121   4.889   9.954
  366    HG3  ARG  51           HG1      ARG  51  -1.405   3.463   9.205
  367    HD2  ARG  51           HD2      ARG  51   0.295   5.153   9.608
  368    HD3  ARG  51           HD1      ARG  51   0.063   4.904   7.883
  369    HE   ARG  51           HE       ARG  51  -1.524   7.005   8.297
  370   HH11  ARG  51          HH11      ARG  51   1.736   6.464   9.631
  371   HH12  ARG  51          HH12      ARG  51   2.230   8.070   9.430
  372   HH21  ARG  51          HH21      ARG  51  -0.843   9.177   8.016
  373   HH22  ARG  51          HH22      ARG  51   0.762   9.655   8.374
  374    H    LEU  52           HN       LEU  52  -4.012   2.597   5.913
  375    HA   LEU  52           HA       LEU  52  -5.648   4.351   4.436
  376    HB2  LEU  52           HB2      LEU  52  -4.935   1.460   3.966
  377    HB3  LEU  52           HB1      LEU  52  -5.643   2.535   2.775
  378    HG   LEU  52           HG       LEU  52  -2.935   2.915   4.048
  379   HD11  LEU  52          HD11      LEU  52  -2.031   2.290   1.872
  380   HD12  LEU  52          HD12      LEU  52  -3.661   1.926   1.300
  381   HD13  LEU  52          HD13      LEU  52  -2.949   0.972   2.601
  382   HD21  LEU  52          HD21      LEU  52  -2.631   4.632   2.329
  383   HD22  LEU  52          HD22      LEU  52  -3.986   5.016   3.392
  384   HD23  LEU  52          HD23      LEU  52  -4.284   4.372   1.778
  385    H    GLU  53           HN       GLU  53  -6.238   1.271   6.090
  386    HA   GLU  53           HA       GLU  53  -8.934   0.858   5.562
  387    HB2  GLU  53           HB2      GLU  53  -7.469   0.378   8.171
  388    HB3  GLU  53           HB1      GLU  53  -9.048  -0.265   7.777
  389    HG2  GLU  53           HG2      GLU  53  -8.051  -1.578   5.976
  390    HG3  GLU  53           HG1      GLU  53  -6.464  -0.926   6.397
  391    H    SER  54           HN       SER  54  -7.442   2.568   8.247
  392    HA   SER  54           HA       SER  54  -9.831   3.470   9.394
  393    HB2  SER  54           HB2      SER  54  -7.058   4.624   9.636
  394    HB3  SER  54           HB1      SER  54  -8.416   4.977  10.708
  395    HG   SER  54           HG       SER  54  -8.067   2.297  10.405
  396    H    ARG  55           HN       ARG  55  -7.673   5.104   7.064
  397    HA   ARG  55           HA       ARG  55  -9.045   7.559   7.115
  398    HB2  ARG  55           HB2      ARG  55  -6.795   7.425   6.208
  399    HB3  ARG  55           HB1      ARG  55  -7.346   6.367   4.917
  400    HG2  ARG  55           HG2      ARG  55  -8.757   8.202   4.046
  401    HG3  ARG  55           HG1      ARG  55  -8.130   9.254   5.313
  402    HD2  ARG  55           HD2      ARG  55  -6.429   7.886   3.235
  403    HD3  ARG  55           HD1      ARG  55  -7.025   9.536   3.099
  404    HE   ARG  55           HE       ARG  55  -5.786   9.949   5.219
  405   HH11  ARG  55          HH11      ARG  55  -4.726   7.457   2.936
  406   HH12  ARG  55          HH12      ARG  55  -3.070   7.572   3.397
  407   HH21  ARG  55          HH21      ARG  55  -3.486  10.150   5.721
  408   HH22  ARG  55          HH22      ARG  55  -2.358   9.174   4.905
  409    H    TYR  56           HN       TYR  56  -9.537   4.707   5.072
  410    HA   TYR  56           HA       TYR  56 -11.557   6.227   3.629
  411    HB2  TYR  56           HB2      TYR  56 -10.269   3.591   2.982
  412    HB3  TYR  56           HB1      TYR  56 -11.505   4.348   1.984
  413    HD1  TYR  56           HD1      TYR  56 -10.953   6.921   1.397
  414    HD2  TYR  56           HD2      TYR  56  -8.096   3.942   2.400
  415    HE1  TYR  56           HE1      TYR  56  -9.211   8.196   0.220
  416    HE2  TYR  56           HE2      TYR  56  -6.356   5.208   1.239
  417    HH   TYR  56           HH       TYR  56  -6.667   8.385   0.294
  418    H    GLY  57           HN       GLY  57 -11.617   4.375   6.285
  419    HA2  GLY  57           HA2      GLY  57 -13.372   3.471   7.464
  420    HA3  GLY  57           HA1      GLY  57 -14.450   4.116   6.227
  421    H    VAL  58           HN       VAL  58 -11.843   1.752   6.148
  422    HA   VAL  58           HA       VAL  58 -13.724  -0.268   5.256
  423    HB   VAL  58           HB       VAL  58 -12.759   0.926   3.253
  424   HG11  VAL  58          HG11      VAL  58 -10.126  -0.173   4.159
  425   HG12  VAL  58          HG12      VAL  58 -10.602   1.521   4.041
  426   HG13  VAL  58          HG13      VAL  58 -10.443   0.545   2.579
  427   HG21  VAL  58          HG21      VAL  58 -12.114  -1.079   1.963
  428   HG22  VAL  58          HG22      VAL  58 -13.548  -1.348   2.955
  429   HG23  VAL  58          HG23      VAL  58 -11.986  -1.982   3.473
  430    H    SER  59           HN       SER  59 -12.313  -2.450   5.132
  431    HA   SER  59           HA       SER  59 -10.079  -2.310   6.941
  432    HB2  SER  59           HB2      SER  59 -12.123  -2.863   8.321
  433    HB3  SER  59           HB1      SER  59 -12.314  -4.323   7.348
  434    HG   SER  59           HG       SER  59  -9.816  -3.836   8.448
  435    H    ILE  60           HN       ILE  60  -8.605  -3.878   6.599
  436    HA   ILE  60           HA       ILE  60  -8.962  -5.565   4.207
  437    HB   ILE  60           HB       ILE  60  -6.422  -4.216   5.191
  438   HG12  ILE  60          HG12      ILE  60  -8.012  -3.536   2.709
  439   HG13  ILE  60          HG11      ILE  60  -8.131  -2.639   4.220
  440   HG21  ILE  60          HG21      ILE  60  -6.001  -6.327   4.043
  441   HG22  ILE  60          HG22      ILE  60  -5.457  -4.969   3.056
  442   HG23  ILE  60          HG23      ILE  60  -6.967  -5.791   2.669
  443   HD11  ILE  60          HD11      ILE  60  -5.633  -2.979   2.580
  444   HD12  ILE  60          HD12      ILE  60  -5.788  -2.069   4.079
  445   HD13  ILE  60          HD13      ILE  60  -6.650  -1.534   2.632
  446    HA   PRO  61           HA       PRO  61  -8.120  -8.670   7.375
  447    HB2  PRO  61           HB2      PRO  61  -7.675 -10.358   4.969
  448    HB3  PRO  61           HB1      PRO  61  -8.746 -10.632   6.350
  449    HG2  PRO  61           HG2      PRO  61  -9.747  -9.919   3.999
  450    HG3  PRO  61           HG1      PRO  61 -10.406  -9.250   5.505
  451    HD2  PRO  61           HD2      PRO  61  -8.524  -7.999   3.540
  452    HD3  PRO  61           HD1      PRO  61  -9.918  -7.280   4.374
  453    H    ASP  62           HN       ASP  62  -6.295  -9.349   8.255
  454    HA   ASP  62           HA       ASP  62  -3.790  -8.319   7.588
  455    HB2  ASP  62           HB2      ASP  62  -4.247 -10.826   9.233
  456    HB3  ASP  62           HB1      ASP  62  -2.795  -9.838   9.209
  457    H    ASP  63           HN       ASP  63  -5.189 -11.455   6.798
  458    HA   ASP  63           HA       ASP  63  -2.808 -12.598   5.750
  459    HB2  ASP  63           HB2      ASP  63  -4.662 -14.034   6.419
  460    HB3  ASP  63           HB1      ASP  63  -5.691 -13.328   5.178
  461    H    VAL  64           HN       VAL  64  -5.302 -10.645   4.327
  462    HA   VAL  64           HA       VAL  64  -4.439 -11.014   1.609
  463    HB   VAL  64           HB       VAL  64  -6.082  -8.768   2.848
  464   HG11  VAL  64          HG11      VAL  64  -5.139  -8.109   0.697
  465   HG12  VAL  64          HG12      VAL  64  -6.881  -8.339   0.566
  466   HG13  VAL  64          HG13      VAL  64  -5.779  -9.572  -0.050
  467   HG21  VAL  64          HG21      VAL  64  -6.979 -11.278   1.436
  468   HG22  VAL  64          HG22      VAL  64  -8.033  -9.975   1.986
  469   HG23  VAL  64          HG23      VAL  64  -7.137 -10.940   3.158
  470    H    ALA  65           HN       ALA  65  -4.110  -8.486   4.046
  471    HA   ALA  65           HA       ALA  65  -2.469  -6.707   2.669
  472    HB1  ALA  65           HB1      ALA  65  -3.652  -6.163   4.743
  473    HB2  ALA  65           HB2      ALA  65  -1.935  -5.769   4.856
  474    HB3  ALA  65           HB3      ALA  65  -2.561  -7.219   5.640
  475    H    GLY  66           HN       GLY  66  -1.638  -9.693   4.265
  476    HA2  GLY  66           HA2      GLY  66   1.209  -9.079   3.971
  477    HA3  GLY  66           HA1      GLY  66   0.538 -10.400   4.912
  478    H    ARG  67           HN       ARG  67  -1.077 -10.393   2.006
  479    HA   ARG  67           HA       ARG  67   0.676 -12.553   1.056
  480    HB2  ARG  67           HB2      ARG  67  -1.691 -13.124   1.387
  481    HB3  ARG  67           HB1      ARG  67  -2.158 -11.866   0.248
  482    HG2  ARG  67           HG2      ARG  67  -0.923 -13.050  -1.517
  483    HG3  ARG  67           HG1      ARG  67  -0.554 -14.328  -0.364
  484    HD2  ARG  67           HD2      ARG  67  -2.884 -14.837  -0.124
  485    HD3  ARG  67           HD1      ARG  67  -3.320 -13.468  -1.148
  486    HE   ARG  67           HE       ARG  67  -1.601 -14.970  -2.632
  487   HH11  ARG  67          HH11      ARG  67  -4.644 -15.685  -0.972
  488   HH12  ARG  67          HH12      ARG  67  -5.244 -16.716  -2.196
  489   HH21  ARG  67          HH21      ARG  67  -2.438 -16.341  -4.346
  490   HH22  ARG  67          HH22      ARG  67  -3.936 -17.112  -4.179
  491    H    VAL  68           HN       VAL  68  -0.141  -9.389   0.405
  492    HA   VAL  68           HA       VAL  68   0.210  -9.444  -2.428
  493    HB   VAL  68           HB       VAL  68   0.225  -6.930  -2.205
  494   HG11  VAL  68          HG11      VAL  68  -2.116  -6.772  -1.475
  495   HG12  VAL  68          HG12      VAL  68  -2.005  -8.390  -0.782
  496   HG13  VAL  68          HG13      VAL  68  -1.859  -8.165  -2.526
  497   HG21  VAL  68          HG21      VAL  68  -0.298  -5.938  -0.034
  498   HG22  VAL  68          HG22      VAL  68   1.241  -6.799   0.036
  499   HG23  VAL  68          HG23      VAL  68  -0.210  -7.526   0.728
  500    H    ASP  69           HN       ASP  69   2.068  -9.826  -3.342
  501    HA   ASP  69           HA       ASP  69   4.581  -9.344  -1.920
  502    HB2  ASP  69           HB2      ASP  69   4.225 -11.501  -3.062
  503    HB3  ASP  69           HB1      ASP  69   4.060 -10.648  -4.587
  504    H    THR  70           HN       THR  70   2.963  -8.241  -4.802
  505    HA   THR  70           HA       THR  70   5.060  -6.250  -5.033
  506    HB   THR  70           HB       THR  70   4.345  -6.145  -7.448
  507    HG1  THR  70           HG1      THR  70   3.238  -8.291  -8.015
  508   HG21  THR  70          HG21      THR  70   5.336  -8.773  -6.365
  509   HG22  THR  70          HG22      THR  70   6.338  -7.384  -6.793
  510   HG23  THR  70          HG23      THR  70   5.480  -8.283  -8.057
  511    HA   PRO  71           HA       PRO  71   2.268  -3.049  -4.056
  512    HB2  PRO  71           HB2      PRO  71   3.236  -1.689  -6.513
  513    HB3  PRO  71           HB1      PRO  71   3.145  -1.095  -4.847
  514    HG2  PRO  71           HG2      PRO  71   5.465  -1.834  -5.843
  515    HG3  PRO  71           HG1      PRO  71   5.023  -2.283  -4.184
  516    HD2  PRO  71           HD2      PRO  71   4.996  -3.943  -6.667
  517    HD3  PRO  71           HD1      PRO  71   5.515  -4.380  -5.027
  518    H    ARG  72           HN       ARG  72   2.191  -3.867  -7.570
  519    HA   ARG  72           HA       ARG  72  -0.303  -2.684  -8.017
  520    HB2  ARG  72           HB2      ARG  72  -0.659  -4.027 -10.011
  521    HB3  ARG  72           HB1      ARG  72   1.015  -3.529  -9.942
  522    HG2  ARG  72           HG2      ARG  72   0.260  -6.220  -8.903
  523    HG3  ARG  72           HG1      ARG  72   0.330  -5.956 -10.644
  524    HD2  ARG  72           HD2      ARG  72   2.566  -5.371  -8.723
  525    HD3  ARG  72           HD1      ARG  72   2.426  -6.844  -9.682
  526    HE   ARG  72           HE       ARG  72   2.429  -4.291 -11.118
  527   HH11  ARG  72          HH11      ARG  72   4.141  -7.261 -10.292
  528   HH12  ARG  72          HH12      ARG  72   5.408  -7.016 -11.392
  529   HH21  ARG  72          HH21      ARG  72   4.033  -3.961 -12.646
  530   HH22  ARG  72          HH22      ARG  72   5.317  -5.071 -12.875
  531    H    GLU  73           HN       GLU  73   0.401  -5.783  -6.592
  532    HA   GLU  73           HA       GLU  73  -2.169  -6.941  -6.604
  533    HB2  GLU  73           HB2      GLU  73   0.041  -7.164  -4.557
  534    HB3  GLU  73           HB1      GLU  73  -1.324  -8.252  -4.706
  535    HG2  GLU  73           HG2      GLU  73   0.677  -7.837  -6.895
  536    HG3  GLU  73           HG1      GLU  73   0.882  -9.034  -5.622
  537    H    LEU  74           HN       LEU  74  -0.418  -5.082  -4.188
  538    HA   LEU  74           HA       LEU  74  -2.484  -5.041  -2.274
  539    HB2  LEU  74           HB2      LEU  74  -0.086  -4.823  -1.743
  540    HB3  LEU  74           HB1      LEU  74  -0.022  -3.298  -2.579
  541    HG   LEU  74           HG       LEU  74   0.014  -3.245  -0.029
  542   HD11  LEU  74          HD11      LEU  74  -1.347  -1.268   0.147
  543   HD12  LEU  74          HD12      LEU  74  -2.083  -1.631  -1.413
  544   HD13  LEU  74          HD13      LEU  74  -0.361  -1.259  -1.314
  545   HD21  LEU  74          HD21      LEU  74  -1.733  -4.899   0.397
  546   HD22  LEU  74          HD22      LEU  74  -2.917  -3.851  -0.382
  547   HD23  LEU  74          HD23      LEU  74  -2.143  -3.341   1.116
  548    H    LEU  75           HN       LEU  75  -1.374  -2.665  -4.635
  549    HA   LEU  75           HA       LEU  75  -3.130  -0.601  -3.992
  550    HB2  LEU  75           HB2      LEU  75  -1.164  -0.391  -5.474
  551    HB3  LEU  75           HB1      LEU  75  -2.000  -1.322  -6.697
  552    HG   LEU  75           HG       LEU  75  -3.672   0.460  -6.923
  553   HD11  LEU  75          HD11      LEU  75  -3.599   1.328  -4.650
  554   HD12  LEU  75          HD12      LEU  75  -3.320   2.615  -5.825
  555   HD13  LEU  75          HD13      LEU  75  -1.965   1.933  -4.923
  556   HD21  LEU  75          HD21      LEU  75  -2.214   2.121  -7.965
  557   HD22  LEU  75          HD22      LEU  75  -1.696   0.480  -8.348
  558   HD23  LEU  75          HD23      LEU  75  -0.822   1.421  -7.138
  559    H    ASP  76           HN       ASP  76  -3.508  -3.201  -6.433
  560    HA   ASP  76           HA       ASP  76  -6.032  -2.300  -7.328
  561    HB2  ASP  76           HB2      ASP  76  -4.610  -3.699  -8.737
  562    HB3  ASP  76           HB1      ASP  76  -4.756  -5.025  -7.596
  563    H    LEU  77           HN       LEU  77  -5.135  -4.725  -4.865
  564    HA   LEU  77           HA       LEU  77  -7.715  -5.651  -4.380
  565    HB2  LEU  77           HB2      LEU  77  -5.112  -5.720  -3.036
  566    HB3  LEU  77           HB1      LEU  77  -6.479  -5.855  -1.964
  567    HG   LEU  77           HG       LEU  77  -5.614  -8.057  -2.550
  568   HD11  LEU  77          HD11      LEU  77  -7.645  -9.112  -3.389
  569   HD12  LEU  77          HD12      LEU  77  -8.271  -7.530  -3.856
  570   HD13  LEU  77          HD13      LEU  77  -7.988  -7.900  -2.155
  571   HD21  LEU  77          HD21      LEU  77  -4.622  -7.527  -4.715
  572   HD22  LEU  77          HD22      LEU  77  -6.230  -7.323  -5.408
  573   HD23  LEU  77          HD23      LEU  77  -5.710  -8.910  -4.842
  574    H    ILE  78           HN       ILE  78  -5.905  -2.944  -2.990
  575    HA   ILE  78           HA       ILE  78  -8.015  -2.262  -1.212
  576    HB   ILE  78           HB       ILE  78  -5.671  -0.548  -2.125
  577   HG12  ILE  78          HG12      ILE  78  -6.086  -2.202   0.376
  578   HG13  ILE  78          HG11      ILE  78  -4.986  -2.586  -0.943
  579   HG21  ILE  78          HG21      ILE  78  -7.523   0.819  -1.269
  580   HG22  ILE  78          HG22      ILE  78  -6.170   0.825  -0.138
  581   HG23  ILE  78          HG23      ILE  78  -7.589  -0.169   0.191
  582   HD11  ILE  78          HD11      ILE  78  -3.784  -1.670   0.939
  583   HD12  ILE  78          HD12      ILE  78  -4.787  -0.217   0.906
  584   HD13  ILE  78          HD13      ILE  78  -3.697  -0.575  -0.436
  585    H    ASN  79           HN       ASN  79  -6.998  -1.082  -4.401
  586    HA   ASN  79           HA       ASN  79  -8.802   1.009  -4.745
  587    HB2  ASN  79           HB2      ASN  79  -7.720  -0.939  -6.780
  588    HB3  ASN  79           HB1      ASN  79  -8.785   0.380  -7.227
  589   HD21  ASN  79          HD21      ASN  79  -7.576   2.207  -5.270
  590   HD22  ASN  79          HD22      ASN  79  -6.049   2.653  -5.956
  591    H    GLY  80           HN       GLY  80  -9.313  -2.422  -5.466
  592    HA2  GLY  80           HA2      GLY  80 -11.940  -2.218  -6.381
  593    HA3  GLY  80           HA1      GLY  80 -11.245  -3.642  -5.616
  594    H    ALA  81           HN       ALA  81 -10.697  -2.658  -3.117
  595    HA   ALA  81           HA       ALA  81 -13.217  -2.882  -1.856
  596    HB1  ALA  81           HB1      ALA  81 -10.555  -2.088  -0.676
  597    HB2  ALA  81           HB2      ALA  81 -11.147  -3.739  -0.858
  598    HB3  ALA  81           HB3      ALA  81 -11.974  -2.620   0.228
  599    H    LEU  82           HN       LEU  82 -11.107  -0.142  -2.573
  600    HA   LEU  82           HA       LEU  82 -12.488   1.790  -1.070
  601    HB2  LEU  82           HB2      LEU  82 -10.816   2.073  -3.555
  602    HB3  LEU  82           HB1      LEU  82 -11.349   3.411  -2.569
  603    HG   LEU  82           HG       LEU  82  -9.426   1.232  -1.798
  604   HD11  LEU  82          HD11      LEU  82  -7.821   3.053  -1.614
  605   HD12  LEU  82          HD12      LEU  82  -9.052   4.190  -2.156
  606   HD13  LEU  82          HD13      LEU  82  -8.483   2.924  -3.245
  607   HD21  LEU  82          HD21      LEU  82  -9.178   2.406   0.333
  608   HD22  LEU  82          HD22      LEU  82 -10.820   1.799   0.110
  609   HD23  LEU  82          HD23      LEU  82 -10.472   3.512  -0.126
  610    H    ALA  83           HN       ALA  83 -12.787   0.645  -4.365
  611    HA   ALA  83           HA       ALA  83 -14.762   2.446  -5.188
  612    HB1  ALA  83           HB1      ALA  83 -15.188   0.866  -7.012
  613    HB2  ALA  83           HB2      ALA  83 -14.239  -0.359  -6.166
  614    HB3  ALA  83           HB3      ALA  83 -13.459   1.109  -6.757
  615    H    GLU  84           HN       GLU  84 -14.881  -0.573  -3.431
  616    HA   GLU  84           HA       GLU  84 -17.726  -0.842  -3.462
  617    HB2  GLU  84           HB2      GLU  84 -15.587  -2.081  -1.739
  618    HB3  GLU  84           HB1      GLU  84 -17.292  -2.457  -1.568
  619    HG2  GLU  84           HG2      GLU  84 -15.633  -2.894  -4.036
  620    HG3  GLU  84           HG1      GLU  84 -16.114  -4.135  -2.875
  621    H    ALA  85           HN       ALA  85 -15.367   0.571  -1.304
  622    HA   ALA  85           HA       ALA  85 -17.126   1.066   0.845
  623    HB1  ALA  85           HB1      ALA  85 -15.354   2.477   1.738
  624    HB2  ALA  85           HB2      ALA  85 -14.524   2.444   0.181
  625    HB3  ALA  85           HB3      ALA  85 -14.693   0.961   1.122
  626    H    ALA  86           HN       ALA  86 -15.883   3.195  -1.722
  627    HA   ALA  86           HA       ALA  86 -17.958   5.107  -0.948
  628    HB1  ALA  86           HB1      ALA  86 -16.550   6.837  -1.960
  629    HB2  ALA  86           HB2      ALA  86 -15.347   5.619  -2.385
  630    HB3  ALA  86           HB3      ALA  86 -15.678   5.978  -0.690
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1 -15.436  11.571   0.489
    2    H2   MET   1           HT2      MET   1 -14.306  12.209  -0.587
    3    H3   MET   1           HT3      MET   1 -14.855  13.155   0.676
    4    HA   MET   1           HA       MET   1 -12.641  12.289   1.111
    5    HB2  MET   1           HB2      MET   1 -14.699  10.804   2.764
    6    HB3  MET   1           HB1      MET   1 -13.026  11.070   3.216
    7    HG2  MET   1           HG2      MET   1 -15.131  13.192   2.862
    8    HG3  MET   1           HG1      MET   1 -14.538  12.559   4.394
    9    HE1  MET   1           HE1      MET   1 -13.093  16.179   4.377
   10    HE2  MET   1           HE2      MET   1 -14.021  14.982   5.280
   11    HE3  MET   1           HE3      MET   1 -14.663  15.643   3.776
   12    H    ALA   2           HN       ALA   2 -14.580  10.193  -0.725
   13    HA   ALA   2           HA       ALA   2 -12.961   7.873  -0.103
   14    HB1  ALA   2           HB1      ALA   2 -15.388   7.558  -0.369
   15    HB2  ALA   2           HB2      ALA   2 -14.473   6.632  -1.556
   16    HB3  ALA   2           HB3      ALA   2 -15.273   8.130  -2.034
   17    H    THR   3           HN       THR   3 -11.049   8.756  -0.820
   18    HA   THR   3           HA       THR   3 -10.709   9.161  -3.686
   19    HB   THR   3           HB       THR   3  -8.907   9.669  -1.385
   20    HG1  THR   3           HG1      THR   3 -10.860  11.181  -2.734
   21   HG21  THR   3          HG21      THR   3  -7.706   9.485  -3.515
   22   HG22  THR   3          HG22      THR   3  -7.698  11.165  -2.969
   23   HG23  THR   3          HG23      THR   3  -8.801  10.659  -4.246
   24    H    LEU   4           HN       LEU   4 -10.016   7.415  -4.760
   25    HA   LEU   4           HA       LEU   4  -8.753   5.279  -3.326
   26    HB2  LEU   4           HB2      LEU   4  -9.714   5.527  -6.148
   27    HB3  LEU   4           HB1      LEU   4  -8.477   4.360  -5.769
   28    HG   LEU   4           HG       LEU   4  -9.859   3.234  -4.219
   29   HD11  LEU   4          HD11      LEU   4 -11.946   5.330  -4.869
   30   HD12  LEU   4          HD12      LEU   4 -11.142   5.037  -3.304
   31   HD13  LEU   4          HD13      LEU   4 -12.238   3.826  -3.984
   32   HD21  LEU   4          HD21      LEU   4 -11.325   3.770  -6.793
   33   HD22  LEU   4          HD22      LEU   4 -11.619   2.401  -5.719
   34   HD23  LEU   4          HD23      LEU   4 -10.061   2.571  -6.529
   35    H    LEU   5           HN       LEU   5  -6.838   4.349  -4.005
   36    HA   LEU   5           HA       LEU   5  -4.842   6.424  -4.039
   37    HB2  LEU   5           HB2      LEU   5  -4.626   3.460  -3.611
   38    HB3  LEU   5           HB1      LEU   5  -3.390   4.664  -3.288
   39    HG   LEU   5           HG       LEU   5  -6.045   4.605  -1.867
   40   HD11  LEU   5          HD11      LEU   5  -4.904   3.583  -0.020
   41   HD12  LEU   5          HD12      LEU   5  -3.399   3.519  -0.950
   42   HD13  LEU   5          HD13      LEU   5  -4.787   2.554  -1.452
   43   HD21  LEU   5          HD21      LEU   5  -3.441   6.002  -1.256
   44   HD22  LEU   5          HD22      LEU   5  -4.895   6.044  -0.257
   45   HD23  LEU   5          HD23      LEU   5  -4.909   6.765  -1.866
   46    H    THR   6           HN       THR   6  -3.848   6.901  -5.870
   47    HA   THR   6           HA       THR   6  -3.603   4.811  -7.858
   48    HB   THR   6           HB       THR   6  -2.763   6.601  -9.389
   49    HG1  THR   6           HG1      THR   6  -3.230   8.309  -7.131
   50   HG21  THR   6          HG21      THR   6  -5.392   7.277  -8.063
   51   HG22  THR   6          HG22      THR   6  -5.154   6.109  -9.363
   52   HG23  THR   6          HG23      THR   6  -4.878   7.826  -9.659
   53    H    THR   7           HN       THR   7  -1.105   5.519  -8.990
   54    HA   THR   7           HA       THR   7   0.658   4.080  -7.466
   55    HB   THR   7           HB       THR   7   1.385   6.300  -9.378
   56    HG1  THR   7           HG1      THR   7   1.211   4.072 -10.732
   57   HG21  THR   7          HG21      THR   7   3.274   5.189  -8.227
   58   HG22  THR   7          HG22      THR   7   3.253   4.775  -9.943
   59   HG23  THR   7          HG23      THR   7   2.663   3.619  -8.751
   60    H    ASP   8           HN       ASP   8   0.528   7.642  -7.788
   61    HA   ASP   8           HA       ASP   8   2.612   8.185  -5.971
   62    HB2  ASP   8           HB2      ASP   8   1.795   9.766  -7.707
   63    HB3  ASP   8           HB1      ASP   8   0.332  10.005  -6.756
   64    H    ASP   9           HN       ASP   9  -0.893   8.024  -5.522
   65    HA   ASP   9           HA       ASP   9  -0.973   9.065  -2.872
   66    HB2  ASP   9           HB2      ASP   9  -2.917   7.070  -4.063
   67    HB3  ASP   9           HB1      ASP   9  -3.185   8.073  -2.654
   68    H    LEU  10           HN       LEU  10  -0.805   5.800  -4.180
   69    HA   LEU  10           HA       LEU  10  -0.970   4.466  -1.711
   70    HB2  LEU  10           HB2      LEU  10  -1.354   3.397  -3.921
   71    HB3  LEU  10           HB1      LEU  10   0.364   3.523  -4.251
   72    HG   LEU  10           HG       LEU  10   0.785   2.086  -2.252
   73   HD11  LEU  10          HD11      LEU  10  -1.260   2.528  -1.049
   74   HD12  LEU  10          HD12      LEU  10  -1.068   0.801  -1.332
   75   HD13  LEU  10          HD13      LEU  10  -2.206   1.735  -2.307
   76   HD21  LEU  10          HD21      LEU  10  -0.951   0.890  -4.414
   77   HD22  LEU  10          HD22      LEU  10   0.116  -0.010  -3.338
   78   HD23  LEU  10          HD23      LEU  10   0.796   1.131  -4.497
   79    H    ARG  11           HN       ARG  11   1.744   5.526  -3.706
   80    HA   ARG  11           HA       ARG  11   3.879   4.456  -2.323
   81    HB2  ARG  11           HB2      ARG  11   4.016   5.752  -4.445
   82    HB3  ARG  11           HB1      ARG  11   3.813   7.224  -3.502
   83    HG2  ARG  11           HG2      ARG  11   5.873   6.514  -2.203
   84    HG3  ARG  11           HG1      ARG  11   6.118   5.296  -3.460
   85    HD2  ARG  11           HD2      ARG  11   6.025   8.284  -3.800
   86    HD3  ARG  11           HD1      ARG  11   7.422   7.226  -3.999
   87    HE   ARG  11           HE       ARG  11   6.257   6.248  -5.909
   88   HH11  ARG  11          HH11      ARG  11   5.629   9.559  -4.896
   89   HH12  ARG  11          HH12      ARG  11   4.703  10.009  -6.240
   90   HH21  ARG  11          HH21      ARG  11   5.149   6.854  -7.883
   91   HH22  ARG  11          HH22      ARG  11   4.487   8.405  -8.081
   92    H    ARG  12           HN       ARG  12   2.140   7.487  -1.693
   93    HA   ARG  12           HA       ARG  12   3.781   8.449   0.346
   94    HB2  ARG  12           HB2      ARG  12   2.085   9.909  -0.597
   95    HB3  ARG  12           HB1      ARG  12   0.800   8.875   0.026
   96    HG2  ARG  12           HG2      ARG  12   1.544   9.374   2.327
   97    HG3  ARG  12           HG1      ARG  12   2.776  10.450   1.678
   98    HD2  ARG  12           HD2      ARG  12   1.090  11.909   0.787
   99    HD3  ARG  12           HD1      ARG  12  -0.184  10.777   1.256
  100    HE   ARG  12           HE       ARG  12   1.370  11.501   3.498
  101   HH11  ARG  12          HH11      ARG  12  -1.051  12.905   1.337
  102   HH12  ARG  12          HH12      ARG  12  -1.777  13.873   2.532
  103   HH21  ARG  12          HH21      ARG  12   0.420  12.892   5.118
  104   HH22  ARG  12          HH22      ARG  12  -0.935  13.883   4.712
  105    H    ALA  13           HN       ALA  13   1.128   6.149   0.498
  106    HA   ALA  13           HA       ALA  13   0.883   6.058   3.316
  107    HB1  ALA  13           HB1      ALA  13   0.301   3.885   1.306
  108    HB2  ALA  13           HB2      ALA  13  -0.819   5.158   1.797
  109    HB3  ALA  13           HB3      ALA  13  -0.283   3.952   2.966
  110    H    LEU  14           HN       LEU  14   2.932   4.287   1.046
  111    HA   LEU  14           HA       LEU  14   4.094   2.610   2.982
  112    HB2  LEU  14           HB2      LEU  14   5.036   3.534   0.276
  113    HB3  LEU  14           HB1      LEU  14   6.023   2.511   1.288
  114    HG   LEU  14           HG       LEU  14   4.962   1.216  -0.404
  115   HD11  LEU  14          HD11      LEU  14   5.285   0.087   1.688
  116   HD12  LEU  14          HD12      LEU  14   3.789  -0.472   0.926
  117   HD13  LEU  14          HD13      LEU  14   3.718   0.662   2.268
  118   HD21  LEU  14          HD21      LEU  14   3.016   2.560  -0.908
  119   HD22  LEU  14          HD22      LEU  14   2.312   2.168   0.661
  120   HD23  LEU  14          HD23      LEU  14   2.528   0.904  -0.550
  121    H    VAL  15           HN       VAL  15   4.775   5.873   1.924
  122    HA   VAL  15           HA       VAL  15   7.283   6.119   3.298
  123    HB   VAL  15           HB       VAL  15   5.424   8.374   2.469
  124   HG11  VAL  15          HG11      VAL  15   8.396   8.334   2.926
  125   HG12  VAL  15          HG12      VAL  15   7.183   9.083   3.960
  126   HG13  VAL  15          HG13      VAL  15   7.470   9.714   2.337
  127   HG21  VAL  15          HG21      VAL  15   5.831   6.974   0.562
  128   HG22  VAL  15          HG22      VAL  15   7.577   7.034   0.839
  129   HG23  VAL  15          HG23      VAL  15   6.696   8.500   0.380
  130    H    GLU  16           HN       GLU  16   3.954   6.611   4.076
  131    HA   GLU  16           HA       GLU  16   4.137   8.067   6.455
  132    HB2  GLU  16           HB2      GLU  16   2.131   5.961   5.637
  133    HB3  GLU  16           HB1      GLU  16   1.931   7.061   6.991
  134    HG2  GLU  16           HG2      GLU  16   2.296   7.964   4.162
  135    HG3  GLU  16           HG1      GLU  16   0.716   7.680   4.862
  136    H    SER  17           HN       SER  17   3.936   4.502   6.001
  137    HA   SER  17           HA       SER  17   4.462   4.065   8.749
  138    HB2  SER  17           HB2      SER  17   4.641   1.625   7.876
  139    HB3  SER  17           HB1      SER  17   3.085   2.455   7.803
  140    HG   SER  17           HG       SER  17   4.913   1.873   5.749
  141    H    ALA  18           HN       ALA  18   6.442   4.163   5.851
  142    HA   ALA  18           HA       ALA  18   8.787   3.148   7.239
  143    HB1  ALA  18           HB1      ALA  18   8.533   4.283   4.449
  144    HB2  ALA  18           HB2      ALA  18   8.453   2.571   4.872
  145    HB3  ALA  18           HB3      ALA  18   9.954   3.470   5.110
  146    H    GLY  19           HN       GLY  19   7.403   5.636   8.004
  147    HA2  GLY  19           HA2      GLY  19   9.614   7.526   7.665
  148    HA3  GLY  19           HA1      GLY  19   8.016   7.919   8.307
  149    H    GLU  20           HN       GLU  20   8.545   5.145   9.655
  150    HA   GLU  20           HA       GLU  20   9.955   6.253  11.965
  151    HB2  GLU  20           HB2      GLU  20   7.711   4.215  11.912
  152    HB3  GLU  20           HB1      GLU  20   8.524   4.811  13.350
  153    HG2  GLU  20           HG2      GLU  20   7.651   7.036  12.971
  154    HG3  GLU  20           HG1      GLU  20   6.920   6.516  11.455
  155    H    THR  21           HN       THR  21  11.925   5.510  11.306
  156    HA   THR  21           HA       THR  21  13.690   4.155  11.148
  157    HB   THR  21           HB       THR  21  11.871   1.886  11.946
  158    HG1  THR  21           HG1      THR  21  12.265   3.965  13.333
  159   HG21  THR  21          HG21      THR  21  14.872   2.229  12.194
  160   HG22  THR  21          HG22      THR  21  14.045   1.154  11.068
  161   HG23  THR  21          HG23      THR  21  13.956   0.851  12.804
  162    H    ASP  22           HN       ASP  22  14.601   3.533   9.417
  163    HA   ASP  22           HA       ASP  22  15.048   2.916   7.293
  164    HB2  ASP  22           HB2      ASP  22  12.559   1.244   7.588
  165    HB3  ASP  22           HB1      ASP  22  13.210   1.518   5.980
  166    H    GLY  23           HN       GLY  23  14.151   3.168   4.981
  167    HA2  GLY  23           HA2      GLY  23  11.965   4.598   4.318
  168    HA3  GLY  23           HA1      GLY  23  13.129   5.863   4.814
  169    H    THR  24           HN       THR  24  12.707   2.978   3.019
  170    HA   THR  24           HA       THR  24  14.580   3.170   1.061
  171    HB   THR  24           HB       THR  24  11.750   2.200   0.794
  172    HG1  THR  24           HG1      THR  24  12.468   0.324   1.893
  173   HG21  THR  24          HG21      THR  24  13.165   2.121  -1.128
  174   HG22  THR  24          HG22      THR  24  12.877   0.468  -0.507
  175   HG23  THR  24          HG23      THR  24  14.417   1.310  -0.184
  176    H    ASP  25           HN       ASP  25  14.781   4.767  -0.476
  177    HA   ASP  25           HA       ASP  25  12.772   6.688  -1.079
  178    HB2  ASP  25           HB2      ASP  25  15.084   7.250  -1.566
  179    HB3  ASP  25           HB1      ASP  25  15.223   5.883  -2.668
  180    H    LEU  26           HN       LEU  26  10.943   6.238  -1.951
  181    HA   LEU  26           HA       LEU  26  10.764   3.909  -3.751
  182    HB2  LEU  26           HB2      LEU  26   9.837   3.878  -1.362
  183    HB3  LEU  26           HB1      LEU  26   8.629   4.993  -1.952
  184    HG   LEU  26           HG       LEU  26   7.848   3.305  -3.541
  185   HD11  LEU  26          HD11      LEU  26   9.976   2.141  -3.871
  186   HD12  LEU  26          HD12      LEU  26   8.711   1.016  -3.376
  187   HD13  LEU  26          HD13      LEU  26   9.920   1.558  -2.207
  188   HD21  LEU  26          HD21      LEU  26   6.875   1.806  -1.881
  189   HD22  LEU  26          HD22      LEU  26   6.863   3.475  -1.314
  190   HD23  LEU  26          HD23      LEU  26   8.065   2.342  -0.694
  191    H    SER  27           HN       SER  27  11.104   6.884  -4.210
  192    HA   SER  27           HA       SER  27   8.727   7.955  -5.203
  193    HB2  SER  27           HB2      SER  27  10.361   9.529  -6.380
  194    HB3  SER  27           HB1      SER  27  10.458   9.447  -4.620
  195    HG   SER  27           HG       SER  27  12.422   8.696  -4.787
  196    H    GLY  28           HN       GLY  28   7.809   7.935  -7.154
  197    HA2  GLY  28           HA2      GLY  28   7.788   7.707  -9.510
  198    HA3  GLY  28           HA1      GLY  28   9.177   6.636  -9.392
  199    H    ASP  29           HN       ASP  29   8.060   5.217 -10.748
  200    HA   ASP  29           HA       ASP  29   5.637   3.943  -9.795
  201    HB2  ASP  29           HB2      ASP  29   5.733   4.428 -12.147
  202    HB3  ASP  29           HB1      ASP  29   7.288   3.629 -12.303
  203    H    PHE  30           HN       PHE  30   5.941   2.562  -8.223
  204    HA   PHE  30           HA       PHE  30   8.271   0.778  -8.364
  205    HB2  PHE  30           HB2      PHE  30   8.323   0.701  -5.972
  206    HB3  PHE  30           HB1      PHE  30   8.202   2.385  -6.435
  207    HD1  PHE  30           HD1      PHE  30   5.768   3.357  -6.461
  208    HD2  PHE  30           HD2      PHE  30   6.922  -0.115  -4.283
  209    HE1  PHE  30           HE1      PHE  30   3.826   3.656  -5.005
  210    HE2  PHE  30           HE2      PHE  30   4.975   0.173  -2.802
  211    HZ   PHE  30           HZ       PHE  30   3.487   1.952  -3.054
  212    H    LEU  31           HN       LEU  31   5.340   0.573  -9.350
  213    HA   LEU  31           HA       LEU  31   3.946  -1.278  -7.841
  214    HB2  LEU  31           HB2      LEU  31   3.822  -0.819 -10.792
  215    HB3  LEU  31           HB1      LEU  31   2.757  -1.928  -9.953
  216    HG   LEU  31           HG       LEU  31   2.898   1.070  -9.613
  217   HD11  LEU  31          HD11      LEU  31   1.677   0.242 -11.573
  218   HD12  LEU  31          HD12      LEU  31   0.592   0.943 -10.352
  219   HD13  LEU  31          HD13      LEU  31   0.748  -0.808 -10.490
  220   HD21  LEU  31          HD21      LEU  31   1.245  -0.952  -8.128
  221   HD22  LEU  31          HD22      LEU  31   1.080   0.804  -8.002
  222   HD23  LEU  31          HD23      LEU  31   2.551   0.009  -7.429
  223    H    ASP  32           HN       ASP  32   6.705  -2.001  -9.795
  224    HA   ASP  32           HA       ASP  32   6.006  -4.845  -9.678
  225    HB2  ASP  32           HB2      ASP  32   6.693  -3.916 -11.878
  226    HB3  ASP  32           HB1      ASP  32   8.263  -3.511 -11.190
  227    H    LEU  33           HN       LEU  33   7.718  -2.577  -7.943
  228    HA   LEU  33           HA       LEU  33   9.910  -4.278  -7.158
  229    HB2  LEU  33           HB2      LEU  33   8.973  -1.632  -6.031
  230    HB3  LEU  33           HB1      LEU  33  10.442  -2.460  -5.561
  231    HG   LEU  33           HG       LEU  33   9.857  -1.298  -8.286
  232   HD11  LEU  33          HD11      LEU  33  11.760  -0.428  -6.116
  233   HD12  LEU  33          HD12      LEU  33  10.282   0.399  -6.597
  234   HD13  LEU  33          HD13      LEU  33  11.635   0.284  -7.724
  235   HD21  LEU  33          HD21      LEU  33  12.184  -1.864  -8.804
  236   HD22  LEU  33          HD22      LEU  33  11.237  -3.307  -8.439
  237   HD23  LEU  33          HD23      LEU  33  12.341  -2.651  -7.235
  238    H    ARG  34           HN       ARG  34   9.789  -5.757  -5.670
  239    HA   ARG  34           HA       ARG  34   7.318  -6.197  -4.295
  240    HB2  ARG  34           HB2      ARG  34   9.951  -7.684  -4.155
  241    HB3  ARG  34           HB1      ARG  34   8.512  -8.169  -3.287
  242    HG2  ARG  34           HG2      ARG  34   8.706  -9.556  -5.222
  243    HG3  ARG  34           HG1      ARG  34   7.368  -8.440  -5.485
  244    HD2  ARG  34           HD2      ARG  34   8.782  -8.731  -7.487
  245    HD3  ARG  34           HD1      ARG  34   8.744  -7.063  -6.909
  246    HE   ARG  34           HE       ARG  34  10.935  -8.694  -5.944
  247   HH11  ARG  34          HH11      ARG  34   9.920  -6.303  -8.375
  248   HH12  ARG  34          HH12      ARG  34  11.504  -5.856  -8.782
  249   HH21  ARG  34          HH21      ARG  34  13.012  -8.066  -6.422
  250   HH22  ARG  34          HH22      ARG  34  13.368  -6.866  -7.596
  251    H    PHE  35           HN       PHE  35   7.084  -6.380  -2.038
  252    HA   PHE  35           HA       PHE  35   8.235  -4.129  -0.762
  253    HB2  PHE  35           HB2      PHE  35   6.517  -6.272   0.538
  254    HB3  PHE  35           HB1      PHE  35   6.869  -4.646   1.136
  255    HD1  PHE  35           HD1      PHE  35   5.963  -2.696   0.107
  256    HD2  PHE  35           HD2      PHE  35   4.847  -6.586  -1.152
  257    HE1  PHE  35           HE1      PHE  35   4.010  -1.760  -1.017
  258    HE2  PHE  35           HE2      PHE  35   2.871  -5.653  -2.289
  259    HZ   PHE  35           HZ       PHE  35   2.454  -3.337  -2.284
  260    H    GLU  36           HN       GLU  36   8.734  -7.599  -0.519
  261    HA   GLU  36           HA       GLU  36  10.508  -7.602   1.638
  262    HB2  GLU  36           HB2      GLU  36  11.407  -9.724   0.758
  263    HB3  GLU  36           HB1      GLU  36   9.654  -9.695   0.730
  264    HG2  GLU  36           HG2      GLU  36   9.643  -9.358  -1.650
  265    HG3  GLU  36           HG1      GLU  36  11.396  -9.167  -1.672
  266    H    ASP  37           HN       ASP  37  10.963  -6.581  -1.600
  267    HA   ASP  37           HA       ASP  37  13.847  -6.568  -1.482
  268    HB2  ASP  37           HB2      ASP  37  12.874  -7.070  -3.614
  269    HB3  ASP  37           HB1      ASP  37  11.886  -5.616  -3.571
  270    H    ILE  38           HN       ILE  38  11.225  -4.304  -1.052
  271    HA   ILE  38           HA       ILE  38  13.129  -2.110  -0.897
  272    HB   ILE  38           HB       ILE  38  11.178  -0.593  -0.685
  273   HG12  ILE  38          HG12      ILE  38   9.532  -3.097  -1.130
  274   HG13  ILE  38          HG11      ILE  38   9.615  -2.190   0.376
  275   HG21  ILE  38          HG21      ILE  38  10.383  -0.839  -2.987
  276   HG22  ILE  38          HG22      ILE  38  11.102  -2.452  -3.053
  277   HG23  ILE  38          HG23      ILE  38  12.134  -1.033  -2.861
  278   HD11  ILE  38          HD11      ILE  38   7.576  -1.698  -0.854
  279   HD12  ILE  38          HD12      ILE  38   8.529  -1.178  -2.243
  280   HD13  ILE  38          HD13      ILE  38   8.601  -0.268  -0.733
  281    H    GLY  39           HN       GLY  39  12.942  -4.226   1.082
  282    HA2  GLY  39           HA2      GLY  39  13.426  -4.386   3.324
  283    HA3  GLY  39           HA1      GLY  39  13.525  -2.636   3.345
  284    H    TYR  40           HN       TYR  40  10.673  -4.513   2.475
  285    HA   TYR  40           HA       TYR  40   9.392  -3.438   4.865
  286    HB2  TYR  40           HB2      TYR  40   8.613  -3.350   2.100
  287    HB3  TYR  40           HB1      TYR  40   7.386  -4.162   3.066
  288    HD1  TYR  40           HD2      TYR  40   9.227  -1.059   2.539
  289    HD2  TYR  40           HD1      TYR  40   6.116  -2.964   4.714
  290    HE1  TYR  40           HE2      TYR  40   8.423   1.130   3.279
  291    HE2  TYR  40           HE1      TYR  40   5.294  -0.782   5.464
  292    HH   TYR  40           HH       TYR  40   6.043   1.487   5.725
  293    H    ASP  41           HN       ASP  41   8.872  -4.815   6.296
  294    HA   ASP  41           HA       ASP  41   8.541  -7.650   5.672
  295    HB2  ASP  41           HB2      ASP  41   8.131  -6.213   8.289
  296    HB3  ASP  41           HB1      ASP  41   8.105  -7.938   8.057
  297    H    SER  42           HN       SER  42   6.571  -8.744   5.961
  298    HA   SER  42           HA       SER  42   4.355  -7.397   5.092
  299    HB2  SER  42           HB2      SER  42   3.140  -9.504   5.681
  300    HB3  SER  42           HB1      SER  42   4.611  -9.642   4.703
  301    HG   SER  42           HG       SER  42   4.955 -11.142   6.118
  302    H    LEU  43           HN       LEU  43   5.346  -7.964   8.422
  303    HA   LEU  43           HA       LEU  43   2.898  -7.166   9.593
  304    HB2  LEU  43           HB2      LEU  43   4.792  -8.392  10.751
  305    HB3  LEU  43           HB1      LEU  43   5.684  -6.894  10.773
  306    HG   LEU  43           HG       LEU  43   3.035  -7.219  12.210
  307   HD11  LEU  43          HD11      LEU  43   4.348  -7.619  14.236
  308   HD12  LEU  43          HD12      LEU  43   5.824  -7.649  13.269
  309   HD13  LEU  43          HD13      LEU  43   4.595  -8.893  13.043
  310   HD21  LEU  43          HD21      LEU  43   3.801  -4.909  11.843
  311   HD22  LEU  43          HD22      LEU  43   5.340  -5.306  12.603
  312   HD23  LEU  43          HD23      LEU  43   3.853  -5.345  13.551
  313    H    ALA  44           HN       ALA  44   5.824  -5.364   8.751
  314    HA   ALA  44           HA       ALA  44   4.887  -2.823   9.560
  315    HB1  ALA  44           HB1      ALA  44   6.926  -3.505   7.434
  316    HB2  ALA  44           HB2      ALA  44   7.266  -3.283   9.151
  317    HB3  ALA  44           HB3      ALA  44   6.701  -1.923   8.180
  318    H    LEU  45           HN       LEU  45   4.675  -4.641   6.606
  319    HA   LEU  45           HA       LEU  45   3.541  -2.722   4.913
  320    HB2  LEU  45           HB2      LEU  45   4.527  -4.813   4.143
  321    HB3  LEU  45           HB1      LEU  45   3.268  -5.722   4.944
  322    HG   LEU  45           HG       LEU  45   1.614  -4.834   3.369
  323   HD11  LEU  45          HD11      LEU  45   2.352  -3.549   1.435
  324   HD12  LEU  45          HD12      LEU  45   3.987  -3.488   2.098
  325   HD13  LEU  45          HD13      LEU  45   2.661  -2.677   2.941
  326   HD21  LEU  45          HD21      LEU  45   2.781  -6.913   2.858
  327   HD22  LEU  45          HD22      LEU  45   4.058  -6.008   2.050
  328   HD23  LEU  45          HD23      LEU  45   2.424  -6.010   1.388
  329    H    MET  46           HN       MET  46   2.021  -5.022   7.146
  330    HA   MET  46           HA       MET  46  -0.632  -4.381   6.432
  331    HB2  MET  46           HB2      MET  46   0.289  -5.354   9.150
  332    HB3  MET  46           HB1      MET  46  -1.367  -5.245   8.544
  333    HG2  MET  46           HG2      MET  46  -0.891  -6.905   6.856
  334    HG3  MET  46           HG1      MET  46   0.781  -7.012   7.407
  335    HE1  MET  46           HE1      MET  46   1.466  -7.912   9.863
  336    HE2  MET  46           HE2      MET  46   0.288  -8.483  11.043
  337    HE3  MET  46           HE3      MET  46   0.338  -6.777  10.605
  338    H    GLU  47           HN       GLU  47   1.637  -2.807   8.538
  339    HA   GLU  47           HA       GLU  47  -0.152  -1.102   9.930
  340    HB2  GLU  47           HB2      GLU  47   2.207  -1.488  10.585
  341    HB3  GLU  47           HB1      GLU  47   2.726  -0.615   9.151
  342    HG2  GLU  47           HG2      GLU  47   1.569   1.394  10.038
  343    HG3  GLU  47           HG1      GLU  47   1.228   0.492  11.514
  344    H    THR  48           HN       THR  48   1.347  -0.977   6.852
  345    HA   THR  48           HA       THR  48   0.964   1.734   6.113
  346    HB   THR  48           HB       THR  48   1.066  -0.744   4.363
  347    HG1  THR  48           HG1      THR  48   3.156   0.867   5.428
  348   HG21  THR  48          HG21      THR  48   1.989   0.785   2.673
  349   HG22  THR  48          HG22      THR  48   1.797   2.132   3.793
  350   HG23  THR  48          HG23      THR  48   0.375   1.287   3.181
  351    H    ALA  49           HN       ALA  49  -0.606  -1.263   5.159
  352    HA   ALA  49           HA       ALA  49  -2.897  -0.240   3.998
  353    HB1  ALA  49           HB1      ALA  49  -3.823  -2.481   4.327
  354    HB2  ALA  49           HB2      ALA  49  -2.524  -2.856   5.461
  355    HB3  ALA  49           HB3      ALA  49  -2.153  -2.561   3.762
  356    H    ALA  50           HN       ALA  50  -2.162  -1.014   7.356
  357    HA   ALA  50           HA       ALA  50  -4.642  -0.855   8.398
  358    HB1  ALA  50           HB1      ALA  50  -3.651  -0.474  10.600
  359    HB2  ALA  50           HB2      ALA  50  -2.117  -0.064   9.829
  360    HB3  ALA  50           HB3      ALA  50  -2.770  -1.696   9.681
  361    H    ARG  51           HN       ARG  51  -2.258   1.741   8.067
  362    HA   ARG  51           HA       ARG  51  -3.840   3.785   9.221
  363    HB2  ARG  51           HB2      ARG  51  -1.566   4.042   7.217
  364    HB3  ARG  51           HB1      ARG  51  -2.270   5.383   8.105
  365    HG2  ARG  51           HG2      ARG  51  -1.542   4.349  10.224
  366    HG3  ARG  51           HG1      ARG  51  -0.809   3.032   9.312
  367    HD2  ARG  51           HD2      ARG  51   0.920   4.595   9.920
  368    HD3  ARG  51           HD1      ARG  51   0.648   4.702   8.182
  369    HE   ARG  51           HE       ARG  51  -0.954   6.633   9.242
  370   HH11  ARG  51          HH11      ARG  51   2.545   5.981   9.724
  371   HH12  ARG  51          HH12      ARG  51   2.965   7.630   9.673
  372   HH21  ARG  51          HH21      ARG  51  -0.261   8.921   9.208
  373   HH22  ARG  51          HH22      ARG  51   1.397   9.285   9.352
  374    H    LEU  52           HN       LEU  52  -3.540   2.548   5.968
  375    HA   LEU  52           HA       LEU  52  -5.160   4.441   4.668
  376    HB2  LEU  52           HB2      LEU  52  -4.458   1.585   4.063
  377    HB3  LEU  52           HB1      LEU  52  -5.421   2.568   2.980
  378    HG   LEU  52           HG       LEU  52  -2.632   3.308   3.857
  379   HD11  LEU  52          HD11      LEU  52  -1.915   2.529   1.656
  380   HD12  LEU  52          HD12      LEU  52  -3.547   1.942   1.328
  381   HD13  LEU  52          HD13      LEU  52  -2.584   1.208   2.613
  382   HD21  LEU  52          HD21      LEU  52  -4.410   4.298   1.630
  383   HD22  LEU  52          HD22      LEU  52  -2.761   4.832   1.941
  384   HD23  LEU  52          HD23      LEU  52  -4.037   5.169   3.117
  385    H    GLU  53           HN       GLU  53  -5.916   1.275   6.104
  386    HA   GLU  53           HA       GLU  53  -8.653   1.139   5.609
  387    HB2  GLU  53           HB2      GLU  53  -7.193   0.269   8.104
  388    HB3  GLU  53           HB1      GLU  53  -8.831  -0.182   7.685
  389    HG2  GLU  53           HG2      GLU  53  -7.946  -1.305   5.676
  390    HG3  GLU  53           HG1      GLU  53  -6.315  -0.943   6.256
  391    H    SER  54           HN       SER  54  -6.928   2.495   8.326
  392    HA   SER  54           HA       SER  54  -9.119   3.369   9.813
  393    HB2  SER  54           HB2      SER  54  -6.740   3.037  10.599
  394    HB3  SER  54           HB1      SER  54  -6.319   4.534   9.780
  395    HG   SER  54           HG       SER  54  -7.769   5.626  11.157
  396    H    ARG  55           HN       ARG  55  -7.103   5.013   7.394
  397    HA   ARG  55           HA       ARG  55  -8.252   7.572   7.655
  398    HB2  ARG  55           HB2      ARG  55  -6.067   7.066   6.530
  399    HB3  ARG  55           HB1      ARG  55  -6.974   6.425   5.169
  400    HG2  ARG  55           HG2      ARG  55  -8.101   8.695   5.029
  401    HG3  ARG  55           HG1      ARG  55  -6.873   9.257   6.162
  402    HD2  ARG  55           HD2      ARG  55  -6.402   8.077   3.426
  403    HD3  ARG  55           HD1      ARG  55  -6.237   9.769   3.872
  404    HE   ARG  55           HE       ARG  55  -4.500   8.505   5.524
  405   HH11  ARG  55          HH11      ARG  55  -4.938   8.439   1.931
  406   HH12  ARG  55          HH12      ARG  55  -3.271   8.243   1.653
  407   HH21  ARG  55          HH21      ARG  55  -2.162   8.221   4.975
  408   HH22  ARG  55          HH22      ARG  55  -1.739   8.109   3.317
  409    H    TYR  56           HN       TYR  56  -8.909   4.968   5.293
  410    HA   TYR  56           HA       TYR  56 -10.948   6.670   4.104
  411    HB2  TYR  56           HB2      TYR  56  -9.697   4.117   3.119
  412    HB3  TYR  56           HB1      TYR  56 -10.963   4.956   2.240
  413    HD1  TYR  56           HD1      TYR  56 -10.510   7.444   1.671
  414    HD2  TYR  56           HD2      TYR  56  -7.481   4.667   2.752
  415    HE1  TYR  56           HE1      TYR  56  -8.827   8.888   0.624
  416    HE2  TYR  56           HE2      TYR  56  -5.787   6.101   1.704
  417    HH   TYR  56           HH       TYR  56  -6.533   9.326   0.629
  418    H    GLY  57           HN       GLY  57 -10.894   3.999   6.239
  419    HA2  GLY  57           HA2      GLY  57 -12.712   3.037   7.290
  420    HA3  GLY  57           HA1      GLY  57 -13.775   3.987   6.258
  421    H    VAL  58           HN       VAL  58 -11.288   1.554   5.703
  422    HA   VAL  58           HA       VAL  58 -13.220  -0.062   4.220
  423    HB   VAL  58           HB       VAL  58 -12.006   1.327   2.567
  424   HG11  VAL  58          HG11      VAL  58  -9.951   1.759   3.743
  425   HG12  VAL  58          HG12      VAL  58  -9.604   1.053   2.164
  426   HG13  VAL  58          HG13      VAL  58  -9.487   0.063   3.617
  427   HG21  VAL  58          HG21      VAL  58 -11.205  -1.580   2.469
  428   HG22  VAL  58          HG22      VAL  58 -11.178  -0.469   1.101
  429   HG23  VAL  58          HG23      VAL  58 -12.711  -0.884   1.868
  430    H    SER  59           HN       SER  59 -12.859  -2.280   4.469
  431    HA   SER  59           HA       SER  59 -10.929  -2.988   6.479
  432    HB2  SER  59           HB2      SER  59 -12.319  -5.185   6.184
  433    HB3  SER  59           HB1      SER  59 -12.995  -3.799   7.042
  434    HG   SER  59           HG       SER  59 -14.082  -4.995   5.061
  435    H    ILE  60           HN       ILE  60  -8.995  -3.656   5.851
  436    HA   ILE  60           HA       ILE  60  -8.725  -5.150   3.341
  437    HB   ILE  60           HB       ILE  60  -6.575  -3.857   5.061
  438   HG12  ILE  60          HG12      ILE  60  -7.654  -2.985   2.365
  439   HG13  ILE  60          HG11      ILE  60  -8.012  -2.203   3.902
  440   HG21  ILE  60          HG21      ILE  60  -5.064  -4.342   3.179
  441   HG22  ILE  60          HG22      ILE  60  -6.376  -5.180   2.349
  442   HG23  ILE  60          HG23      ILE  60  -5.746  -5.817   3.867
  443   HD11  ILE  60          HD11      ILE  60  -5.308  -2.415   2.599
  444   HD12  ILE  60          HD12      ILE  60  -5.621  -1.693   4.163
  445   HD13  ILE  60          HD13      ILE  60  -6.307  -0.959   2.703
  446    HA   PRO  61           HA       PRO  61  -8.551  -8.769   6.039
  447    HB2  PRO  61           HB2      PRO  61  -7.485  -9.944   3.510
  448    HB3  PRO  61           HB1      PRO  61  -8.795 -10.522   4.546
  449    HG2  PRO  61           HG2      PRO  61  -9.354  -9.372   2.233
  450    HG3  PRO  61           HG1      PRO  61 -10.329  -9.006   3.670
  451    HD2  PRO  61           HD2      PRO  61  -8.170  -7.381   2.384
  452    HD3  PRO  61           HD1      PRO  61  -9.726  -6.853   3.058
  453    H    ASP  62           HN       ASP  62  -6.946  -9.132   7.377
  454    HA   ASP  62           HA       ASP  62  -4.420  -8.010   7.324
  455    HB2  ASP  62           HB2      ASP  62  -5.252 -10.467   8.858
  456    HB3  ASP  62           HB1      ASP  62  -3.748  -9.594   9.094
  457    H    ASP  63           HN       ASP  63  -5.194 -11.374   6.449
  458    HA   ASP  63           HA       ASP  63  -2.431 -12.043   6.089
  459    HB2  ASP  63           HB2      ASP  63  -4.932 -13.511   5.230
  460    HB3  ASP  63           HB1      ASP  63  -3.310 -14.115   4.926
  461    H    VAL  64           HN       VAL  64  -4.948 -10.869   4.067
  462    HA   VAL  64           HA       VAL  64  -3.522 -11.333   1.624
  463    HB   VAL  64           HB       VAL  64  -5.814  -9.399   2.151
  464   HG11  VAL  64          HG11      VAL  64  -4.599  -8.864   0.103
  465   HG12  VAL  64          HG12      VAL  64  -6.198  -9.513  -0.271
  466   HG13  VAL  64          HG13      VAL  64  -4.770 -10.533  -0.442
  467   HG21  VAL  64          HG21      VAL  64  -5.865 -12.230   1.105
  468   HG22  VAL  64          HG22      VAL  64  -7.259 -11.152   1.218
  469   HG23  VAL  64          HG23      VAL  64  -6.441 -11.694   2.685
  470    H    ALA  65           HN       ALA  65  -3.985  -8.635   3.825
  471    HA   ALA  65           HA       ALA  65  -2.580  -6.621   2.524
  472    HB1  ALA  65           HB1      ALA  65  -2.774  -7.126   5.494
  473    HB2  ALA  65           HB2      ALA  65  -3.958  -6.263   4.520
  474    HB3  ALA  65           HB3      ALA  65  -2.337  -5.597   4.730
  475    H    GLY  66           HN       GLY  66  -1.390  -9.295   4.463
  476    HA2  GLY  66           HA2      GLY  66   1.334  -8.269   4.345
  477    HA3  GLY  66           HA1      GLY  66   0.809  -9.728   5.172
  478    H    ARG  67           HN       ARG  67  -0.642 -10.316   2.471
  479    HA   ARG  67           HA       ARG  67   1.706 -11.647   1.379
  480    HB2  ARG  67           HB2      ARG  67  -1.184 -12.418   1.289
  481    HB3  ARG  67           HB1      ARG  67   0.013 -13.167   0.241
  482    HG2  ARG  67           HG2      ARG  67   1.277 -13.899   2.201
  483    HG3  ARG  67           HG1      ARG  67   0.079 -13.139   3.252
  484    HD2  ARG  67           HD2      ARG  67  -0.281 -15.552   3.046
  485    HD3  ARG  67           HD1      ARG  67  -1.634 -14.622   2.411
  486    HE   ARG  67           HE       ARG  67   0.228 -15.235   0.374
  487   HH11  ARG  67          HH11      ARG  67  -2.242 -16.854   2.377
  488   HH12  ARG  67          HH12      ARG  67  -2.756 -17.900   1.143
  489   HH21  ARG  67          HH21      ARG  67  -0.540 -16.677  -1.352
  490   HH22  ARG  67          HH22      ARG  67  -1.785 -17.795  -1.035
  491    H    VAL  68           HN       VAL  68   0.219  -8.934   0.686
  492    HA   VAL  68           HA       VAL  68   0.190  -9.272  -2.167
  493    HB   VAL  68           HB       VAL  68   0.100  -6.710  -2.236
  494   HG11  VAL  68          HG11      VAL  68  -2.208  -6.555  -1.417
  495   HG12  VAL  68          HG12      VAL  68  -2.005  -8.095  -0.581
  496   HG13  VAL  68          HG13      VAL  68  -1.931  -8.031  -2.341
  497   HG21  VAL  68          HG21      VAL  68  -0.428  -5.524  -0.158
  498   HG22  VAL  68          HG22      VAL  68   1.189  -6.235  -0.090
  499   HG23  VAL  68          HG23      VAL  68  -0.154  -7.003   0.761
  500    H    ASP  69           HN       ASP  69   1.932  -9.476  -3.331
  501    HA   ASP  69           HA       ASP  69   4.520  -9.038  -2.038
  502    HB2  ASP  69           HB2      ASP  69   4.015 -11.242  -3.039
  503    HB3  ASP  69           HB1      ASP  69   3.747 -10.466  -4.579
  504    H    THR  70           HN       THR  70   2.647  -8.026  -4.731
  505    HA   THR  70           HA       THR  70   4.740  -6.065  -5.248
  506    HB   THR  70           HB       THR  70   3.890  -5.979  -7.590
  507    HG1  THR  70           HG1      THR  70   2.277  -8.126  -6.625
  508   HG21  THR  70          HG21      THR  70   5.806  -7.376  -7.087
  509   HG22  THR  70          HG22      THR  70   4.771  -8.217  -8.259
  510   HG23  THR  70          HG23      THR  70   4.741  -8.669  -6.546
  511    HA   PRO  71           HA       PRO  71   1.927  -2.803  -4.046
  512    HB2  PRO  71           HB2      PRO  71   3.179  -1.424  -6.359
  513    HB3  PRO  71           HB1      PRO  71   3.007  -0.881  -4.681
  514    HG2  PRO  71           HG2      PRO  71   5.356  -1.699  -5.534
  515    HG3  PRO  71           HG1      PRO  71   4.770  -2.204  -3.937
  516    HD2  PRO  71           HD2      PRO  71   4.850  -3.737  -6.499
  517    HD3  PRO  71           HD1      PRO  71   5.239  -4.271  -4.849
  518    H    ARG  72           HN       ARG  72   2.275  -3.785  -7.319
  519    HA   ARG  72           HA       ARG  72   0.103  -2.721  -8.615
  520    HB2  ARG  72           HB2      ARG  72   1.867  -4.188  -9.542
  521    HB3  ARG  72           HB1      ARG  72   1.134  -5.551  -8.718
  522    HG2  ARG  72           HG2      ARG  72  -0.895  -5.220 -10.080
  523    HG3  ARG  72           HG1      ARG  72  -0.053  -3.935 -10.956
  524    HD2  ARG  72           HD2      ARG  72   0.778  -6.831 -10.768
  525    HD3  ARG  72           HD1      ARG  72   0.099  -5.985 -12.173
  526    HE   ARG  72           HE       ARG  72   2.139  -4.612 -12.149
  527   HH11  ARG  72          HH11      ARG  72   2.263  -7.838 -10.596
  528   HH12  ARG  72          HH12      ARG  72   3.949  -8.012 -10.839
  529   HH21  ARG  72          HH21      ARG  72   4.477  -4.949 -12.498
  530   HH22  ARG  72          HH22      ARG  72   5.220  -6.353 -11.918
  531    H    GLU  73           HN       GLU  73   0.258  -5.691  -6.680
  532    HA   GLU  73           HA       GLU  73  -2.465  -6.426  -6.848
  533    HB2  GLU  73           HB2      GLU  73  -0.409  -7.138  -4.769
  534    HB3  GLU  73           HB1      GLU  73  -1.917  -7.989  -5.068
  535    HG2  GLU  73           HG2      GLU  73  -1.178  -8.688  -7.212
  536    HG3  GLU  73           HG1      GLU  73   0.258  -7.670  -7.102
  537    H    LEU  74           HN       LEU  74  -0.588  -4.663  -4.460
  538    HA   LEU  74           HA       LEU  74  -2.621  -4.495  -2.480
  539    HB2  LEU  74           HB2      LEU  74  -0.074  -4.150  -2.257
  540    HB3  LEU  74           HB1      LEU  74  -0.341  -2.541  -2.874
  541    HG   LEU  74           HG       LEU  74  -1.507  -3.595  -0.275
  542   HD11  LEU  74          HD11      LEU  74   0.911  -3.473  -0.184
  543   HD12  LEU  74          HD12      LEU  74   0.168  -2.231   0.821
  544   HD13  LEU  74          HD13      LEU  74   0.856  -1.803  -0.746
  545   HD21  LEU  74          HD21      LEU  74  -2.792  -1.753  -1.258
  546   HD22  LEU  74          HD22      LEU  74  -1.321  -0.791  -1.358
  547   HD23  LEU  74          HD23      LEU  74  -1.963  -1.259   0.217
  548    H    LEU  75           HN       LEU  75  -1.544  -2.306  -5.034
  549    HA   LEU  75           HA       LEU  75  -3.237  -0.131  -4.643
  550    HB2  LEU  75           HB2      LEU  75  -1.304  -0.326  -6.238
  551    HB3  LEU  75           HB1      LEU  75  -2.315  -1.301  -7.278
  552    HG   LEU  75           HG       LEU  75  -3.855   0.661  -7.486
  553   HD11  LEU  75          HD11      LEU  75  -3.218   1.803  -5.447
  554   HD12  LEU  75          HD12      LEU  75  -2.980   2.848  -6.851
  555   HD13  LEU  75          HD13      LEU  75  -1.597   2.064  -6.085
  556   HD21  LEU  75          HD21      LEU  75  -2.215   0.134  -9.215
  557   HD22  LEU  75          HD22      LEU  75  -0.993   1.076  -8.355
  558   HD23  LEU  75          HD23      LEU  75  -2.407   1.879  -9.038
  559    H    ASP  76           HN       ASP  76  -3.617  -2.981  -6.695
  560    HA   ASP  76           HA       ASP  76  -6.191  -2.521  -7.687
  561    HB2  ASP  76           HB2      ASP  76  -4.720  -4.157  -8.692
  562    HB3  ASP  76           HB1      ASP  76  -4.708  -5.110  -7.212
  563    H    LEU  77           HN       LEU  77  -5.121  -4.303  -4.857
  564    HA   LEU  77           HA       LEU  77  -7.517  -5.411  -4.012
  565    HB2  LEU  77           HB2      LEU  77  -5.383  -6.065  -3.103
  566    HB3  LEU  77           HB1      LEU  77  -5.123  -4.468  -2.444
  567    HG   LEU  77           HG       LEU  77  -6.997  -4.844  -0.875
  568   HD11  LEU  77          HD11      LEU  77  -8.267  -6.479  -2.149
  569   HD12  LEU  77          HD12      LEU  77  -7.857  -7.114  -0.557
  570   HD13  LEU  77          HD13      LEU  77  -6.959  -7.651  -1.978
  571   HD21  LEU  77          HD21      LEU  77  -5.790  -6.408   0.573
  572   HD22  LEU  77          HD22      LEU  77  -4.709  -5.240  -0.186
  573   HD23  LEU  77          HD23      LEU  77  -4.790  -6.893  -0.796
  574    H    ILE  78           HN       ILE  78  -6.057  -2.316  -3.041
  575    HA   ILE  78           HA       ILE  78  -8.264  -1.671  -1.364
  576    HB   ILE  78           HB       ILE  78  -6.180   0.266  -2.445
  577   HG12  ILE  78          HG12      ILE  78  -6.266  -1.371   0.103
  578   HG13  ILE  78          HG11      ILE  78  -5.173  -1.633  -1.248
  579   HG21  ILE  78          HG21      ILE  78  -8.173   1.373  -1.560
  580   HG22  ILE  78          HG22      ILE  78  -6.781   1.626  -0.506
  581   HG23  ILE  78          HG23      ILE  78  -8.022   0.455  -0.061
  582   HD11  ILE  78          HD11      ILE  78  -5.237   0.769   0.560
  583   HD12  ILE  78          HD12      ILE  78  -4.165   0.549  -0.824
  584   HD13  ILE  78          HD13      ILE  78  -4.045  -0.536   0.560
  585    H    ASN  79           HN       ASN  79  -7.410  -0.804  -4.661
  586    HA   ASN  79           HA       ASN  79  -9.542   1.019  -5.106
  587    HB2  ASN  79           HB2      ASN  79  -7.828  -0.649  -6.915
  588    HB3  ASN  79           HB1      ASN  79  -9.251   0.120  -7.596
  589   HD21  ASN  79          HD21      ASN  79  -6.126   0.671  -6.121
  590   HD22  ASN  79          HD22      ASN  79  -5.941   2.303  -6.672
  591    H    GLY  80           HN       GLY  80  -9.374  -2.499  -5.436
  592    HA2  GLY  80           HA2      GLY  80 -11.999  -2.799  -6.461
  593    HA3  GLY  80           HA1      GLY  80 -11.019  -4.057  -5.721
  594    H    ALA  81           HN       ALA  81 -10.672  -2.889  -3.190
  595    HA   ALA  81           HA       ALA  81 -13.104  -3.666  -1.944
  596    HB1  ALA  81           HB1      ALA  81 -10.706  -2.292  -0.729
  597    HB2  ALA  81           HB2      ALA  81 -10.919  -4.034  -0.895
  598    HB3  ALA  81           HB3      ALA  81 -11.992  -3.108   0.157
  599    H    LEU  82           HN       LEU  82 -11.506  -0.538  -2.392
  600    HA   LEU  82           HA       LEU  82 -13.470   0.994  -1.053
  601    HB2  LEU  82           HB2      LEU  82 -11.178   1.561  -2.823
  602    HB3  LEU  82           HB1      LEU  82 -12.271   2.872  -2.528
  603    HG   LEU  82           HG       LEU  82 -10.625   1.358  -0.480
  604   HD11  LEU  82          HD11      LEU  82 -10.501   4.209  -1.457
  605   HD12  LEU  82          HD12      LEU  82  -9.349   2.928  -1.842
  606   HD13  LEU  82          HD13      LEU  82  -9.499   3.512  -0.184
  607   HD21  LEU  82          HD21      LEU  82 -12.786   2.001   0.473
  608   HD22  LEU  82          HD22      LEU  82 -12.534   3.660  -0.072
  609   HD23  LEU  82          HD23      LEU  82 -11.478   2.967   1.157
  610    H    ALA  83           HN       ALA  83 -13.414  -0.386  -4.165
  611    HA   ALA  83           HA       ALA  83 -15.229   1.333  -5.470
  612    HB1  ALA  83           HB1      ALA  83 -15.720  -0.588  -6.929
  613    HB2  ALA  83           HB2      ALA  83 -14.888  -1.657  -5.798
  614    HB3  ALA  83           HB3      ALA  83 -13.983  -0.422  -6.670
  615    H    GLU  84           HN       GLU  84 -15.577  -1.193  -3.124
  616    HA   GLU  84           HA       GLU  84 -18.486  -1.049  -3.186
  617    HB2  GLU  84           HB2      GLU  84 -16.619  -2.703  -1.487
  618    HB3  GLU  84           HB1      GLU  84 -18.367  -2.776  -1.420
  619    HG2  GLU  84           HG2      GLU  84 -18.403  -3.598  -3.719
  620    HG3  GLU  84           HG1      GLU  84 -16.637  -3.536  -3.754
  621    H    ALA  85           HN       ALA  85 -15.951  -0.965  -0.693
  622    HA   ALA  85           HA       ALA  85 -17.690   0.214   1.222
  623    HB1  ALA  85           HB1      ALA  85 -14.721  -0.273   1.369
  624    HB2  ALA  85           HB2      ALA  85 -15.976  -1.417   1.851
  625    HB3  ALA  85           HB3      ALA  85 -15.786   0.104   2.722
  626    H    ALA  86           HN       ALA  86 -18.295   2.189   0.944
  627    HA   ALA  86           HA       ALA  86 -16.706   4.385   1.435
  628    HB1  ALA  86           HB1      ALA  86 -15.866   4.093  -0.872
  629    HB2  ALA  86           HB2      ALA  86 -16.848   5.552  -0.744
  630    HB3  ALA  86           HB3      ALA  86 -17.523   4.096  -1.478
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1 -15.175  10.369  -1.667
    2    H2   MET   1           HT2      MET   1 -15.703  10.179  -3.247
    3    H3   MET   1           HT3      MET   1 -16.736  10.847  -2.114
    4    HA   MET   1           HA       MET   1 -15.832  12.498  -3.613
    5    HB2  MET   1           HB2      MET   1 -14.708  12.725  -0.808
    6    HB3  MET   1           HB1      MET   1 -14.803  14.053  -1.951
    7    HG2  MET   1           HG2      MET   1 -17.123  12.541  -0.779
    8    HG3  MET   1           HG1      MET   1 -16.596  14.161  -0.333
    9    HE1  MET   1           HE1      MET   1 -19.053  15.080  -0.690
   10    HE2  MET   1           HE2      MET   1 -19.588  13.455  -1.121
   11    HE3  MET   1           HE3      MET   1 -19.987  14.823  -2.163
   12    H    ALA   2           HN       ALA   2 -13.118  11.331  -1.564
   13    HA   ALA   2           HA       ALA   2 -11.342  11.707  -3.887
   14    HB1  ALA   2           HB1      ALA   2  -9.619  12.541  -2.344
   15    HB2  ALA   2           HB2      ALA   2 -10.764  12.434  -1.007
   16    HB3  ALA   2           HB3      ALA   2 -11.048  13.572  -2.322
   17    H    THR   3           HN       THR   3 -12.728   9.368  -2.751
   18    HA   THR   3           HA       THR   3 -10.642   7.817  -1.434
   19    HB   THR   3           HB       THR   3 -13.484   7.385  -2.121
   20    HG1  THR   3           HG1      THR   3 -13.179   7.248   0.471
   21   HG21  THR   3          HG21      THR   3 -12.345   5.213  -2.127
   22   HG22  THR   3          HG22      THR   3 -13.387   5.328  -0.709
   23   HG23  THR   3          HG23      THR   3 -11.646   5.558  -0.545
   24    H    LEU   4           HN       LEU   4  -9.142   7.339  -2.665
   25    HA   LEU   4           HA       LEU   4  -9.306   5.008  -4.023
   26    HB2  LEU   4           HB2      LEU   4 -10.328   6.436  -5.825
   27    HB3  LEU   4           HB1      LEU   4  -8.807   7.364  -5.820
   28    HG   LEU   4           HG       LEU   4  -7.686   5.321  -6.239
   29   HD11  LEU   4          HD11      LEU   4  -9.001   3.427  -7.329
   30   HD12  LEU   4          HD12      LEU   4 -10.474   4.270  -6.851
   31   HD13  LEU   4          HD13      LEU   4  -9.364   3.676  -5.622
   32   HD21  LEU   4          HD21      LEU   4  -7.978   6.906  -8.024
   33   HD22  LEU   4          HD22      LEU   4  -9.588   6.282  -8.380
   34   HD23  LEU   4          HD23      LEU   4  -8.166   5.291  -8.709
   35    H    LEU   5           HN       LEU   5  -7.158   4.435  -4.628
   36    HA   LEU   5           HA       LEU   5  -5.106   6.230  -3.616
   37    HB2  LEU   5           HB2      LEU   5  -5.369   3.240  -3.608
   38    HB3  LEU   5           HB1      LEU   5  -3.890   4.093  -3.233
   39    HG   LEU   5           HG       LEU   5  -6.450   4.458  -1.679
   40   HD11  LEU   5          HD11      LEU   5  -5.475   2.998  -0.007
   41   HD12  LEU   5          HD12      LEU   5  -4.093   2.679  -1.061
   42   HD13  LEU   5          HD13      LEU   5  -5.711   2.140  -1.524
   43   HD21  LEU   5          HD21      LEU   5  -4.951   5.396   0.005
   44   HD22  LEU   5          HD22      LEU   5  -4.847   6.288  -1.515
   45   HD23  LEU   5          HD23      LEU   5  -3.577   5.148  -1.073
   46    H    THR   6           HN       THR   6  -3.873   6.920  -5.281
   47    HA   THR   6           HA       THR   6  -3.628   5.215  -7.631
   48    HB   THR   6           HB       THR   6  -2.422   7.169  -8.610
   49    HG1  THR   6           HG1      THR   6  -3.138   8.580  -6.226
   50   HG21  THR   6          HG21      THR   6  -4.332   8.721  -8.757
   51   HG22  THR   6          HG22      THR   6  -5.088   7.915  -7.381
   52   HG23  THR   6          HG23      THR   6  -4.862   7.043  -8.896
   53    H    THR   7           HN       THR   7  -1.096   5.393  -8.446
   54    HA   THR   7           HA       THR   7   0.440   4.064  -6.560
   55    HB   THR   7           HB       THR   7   1.526   5.692  -8.879
   56    HG1  THR   7           HG1      THR   7   1.268   3.687 -10.020
   57   HG21  THR   7          HG21      THR   7   2.514   3.180  -7.510
   58   HG22  THR   7          HG22      THR   7   3.207   4.791  -7.320
   59   HG23  THR   7          HG23      THR   7   3.282   3.976  -8.884
   60    H    ASP   8           HN       ASP   8   0.007   7.469  -7.163
   61    HA   ASP   8           HA       ASP   8   2.272   8.435  -5.721
   62    HB2  ASP   8           HB2      ASP   8   0.960   9.731  -7.455
   63    HB3  ASP   8           HB1      ASP   8  -0.326   9.899  -6.269
   64    H    ASP   9           HN       ASP   9  -1.157   8.064  -4.970
   65    HA   ASP   9           HA       ASP   9  -1.100   8.967  -2.268
   66    HB2  ASP   9           HB2      ASP   9  -2.961   6.909  -3.495
   67    HB3  ASP   9           HB1      ASP   9  -3.181   7.647  -1.926
   68    H    LEU  10           HN       LEU  10  -0.681   5.867  -3.785
   69    HA   LEU  10           HA       LEU  10  -0.647   4.270  -1.473
   70    HB2  LEU  10           HB2      LEU  10  -0.888   3.596  -3.939
   71    HB3  LEU  10           HB1      LEU  10   0.861   3.677  -4.004
   72    HG   LEU  10           HG       LEU  10   0.901   1.997  -2.138
   73   HD11  LEU  10          HD11      LEU  10  -1.334   2.351  -1.299
   74   HD12  LEU  10          HD12      LEU  10  -1.147   0.670  -1.807
   75   HD13  LEU  10          HD13      LEU  10  -2.024   1.816  -2.826
   76   HD21  LEU  10          HD21      LEU  10   0.441   0.099  -3.624
   77   HD22  LEU  10          HD22      LEU  10   1.331   1.369  -4.460
   78   HD23  LEU  10          HD23      LEU  10  -0.399   1.174  -4.739
   79    H    ARG  11           HN       ARG  11   1.957   5.614  -3.485
   80    HA   ARG  11           HA       ARG  11   4.149   4.666  -2.112
   81    HB2  ARG  11           HB2      ARG  11   4.281   5.750  -4.281
   82    HB3  ARG  11           HB1      ARG  11   3.850   7.288  -3.560
   83    HG2  ARG  11           HG2      ARG  11   5.923   7.383  -2.373
   84    HG3  ARG  11           HG1      ARG  11   6.331   5.737  -2.865
   85    HD2  ARG  11           HD2      ARG  11   7.523   7.344  -4.227
   86    HD3  ARG  11           HD1      ARG  11   6.363   6.444  -5.198
   87    HE   ARG  11           HE       ARG  11   6.141   9.233  -4.326
   88   HH11  ARG  11          HH11      ARG  11   5.082   6.611  -6.493
   89   HH12  ARG  11          HH12      ARG  11   4.156   7.636  -7.483
   90   HH21  ARG  11          HH21      ARG  11   4.949  10.622  -5.797
   91   HH22  ARG  11          HH22      ARG  11   4.142   9.955  -7.133
   92    H    ARG  12           HN       ARG  12   2.275   7.594  -1.473
   93    HA   ARG  12           HA       ARG  12   3.791   8.703   0.568
   94    HB2  ARG  12           HB2      ARG  12   1.879   9.905  -0.249
   95    HB3  ARG  12           HB1      ARG  12   0.791   8.604   0.217
   96    HG2  ARG  12           HG2      ARG  12   1.395   9.028   2.596
   97    HG3  ARG  12           HG1      ARG  12   2.320  10.429   2.060
   98    HD2  ARG  12           HD2      ARG  12   0.375  11.519   1.282
   99    HD3  ARG  12           HD1      ARG  12  -0.591  10.051   1.445
  100    HE   ARG  12           HE       ARG  12   0.385  10.534   3.939
  101   HH11  ARG  12          HH11      ARG  12  -1.464  12.518   1.673
  102   HH12  ARG  12          HH12      ARG  12  -2.475  13.210   2.871
  103   HH21  ARG  12          HH21      ARG  12  -0.980  11.473   5.581
  104   HH22  ARG  12          HH22      ARG  12  -2.189  12.593   5.174
  105    H    ALA  13           HN       ALA  13   1.175   6.342   0.837
  106    HA   ALA  13           HA       ALA  13   1.244   6.089   3.626
  107    HB1  ALA  13           HB1      ALA  13  -0.680   5.433   2.260
  108    HB2  ALA  13           HB2      ALA  13  -0.152   4.120   3.316
  109    HB3  ALA  13           HB3      ALA  13   0.252   4.090   1.599
  110    H    LEU  14           HN       LEU  14   2.890   4.243   1.069
  111    HA   LEU  14           HA       LEU  14   3.998   2.294   2.739
  112    HB2  LEU  14           HB2      LEU  14   4.765   3.382   0.054
  113    HB3  LEU  14           HB1      LEU  14   5.843   2.288   0.881
  114    HG   LEU  14           HG       LEU  14   4.562   1.149  -0.782
  115   HD11  LEU  14          HD11      LEU  14   3.596  -0.667   0.550
  116   HD12  LEU  14          HD12      LEU  14   3.689   0.361   1.977
  117   HD13  LEU  14          HD13      LEU  14   5.169  -0.141   1.157
  118   HD21  LEU  14          HD21      LEU  14   2.094   1.953   0.727
  119   HD22  LEU  14          HD22      LEU  14   2.144   0.806  -0.616
  120   HD23  LEU  14          HD23      LEU  14   2.566   2.500  -0.880
  121    H    VAL  15           HN       VAL  15   5.393   5.386   1.613
  122    HA   VAL  15           HA       VAL  15   7.831   5.046   2.995
  123    HB   VAL  15           HB       VAL  15   6.537   7.650   2.101
  124   HG11  VAL  15          HG11      VAL  15   8.294   8.061   3.756
  125   HG12  VAL  15          HG12      VAL  15   8.806   8.594   2.155
  126   HG13  VAL  15          HG13      VAL  15   9.420   7.079   2.819
  127   HG21  VAL  15          HG21      VAL  15   8.008   7.457   0.148
  128   HG22  VAL  15          HG22      VAL  15   6.873   6.111   0.260
  129   HG23  VAL  15          HG23      VAL  15   8.560   5.881   0.726
  130    H    GLU  16           HN       GLU  16   4.782   6.446   4.003
  131    HA   GLU  16           HA       GLU  16   5.639   7.601   6.429
  132    HB2  GLU  16           HB2      GLU  16   2.974   6.380   5.750
  133    HB3  GLU  16           HB1      GLU  16   3.298   7.337   7.179
  134    HG2  GLU  16           HG2      GLU  16   3.845   9.247   5.704
  135    HG3  GLU  16           HG1      GLU  16   3.379   8.253   4.327
  136    H    SER  17           HN       SER  17   4.366   4.382   5.719
  137    HA   SER  17           HA       SER  17   4.581   3.591   8.467
  138    HB2  SER  17           HB2      SER  17   3.705   1.389   7.544
  139    HB3  SER  17           HB1      SER  17   2.658   2.797   7.390
  140    HG   SER  17           HG       SER  17   3.258   2.973   5.221
  141    H    ALA  18           HN       ALA  18   6.713   3.673   5.926
  142    HA   ALA  18           HA       ALA  18   8.237   1.319   6.243
  143    HB1  ALA  18           HB1      ALA  18   9.191   4.077   5.393
  144    HB2  ALA  18           HB2      ALA  18   8.533   2.856   4.317
  145    HB3  ALA  18           HB3      ALA  18  10.058   2.570   5.148
  146    H    GLY  19           HN       GLY  19   7.979   4.199   8.076
  147    HA2  GLY  19           HA2      GLY  19   8.810   4.671  10.208
  148    HA3  GLY  19           HA1      GLY  19   9.775   3.197  10.119
  149    H    GLU  20           HN       GLU  20  11.218   3.422   8.019
  150    HA   GLU  20           HA       GLU  20  13.337   5.155   8.628
  151    HB2  GLU  20           HB2      GLU  20  12.713   3.811   5.993
  152    HB3  GLU  20           HB1      GLU  20  14.283   4.384   6.534
  153    HG2  GLU  20           HG2      GLU  20  12.704   2.107   7.721
  154    HG3  GLU  20           HG1      GLU  20  14.146   1.981   6.720
  155    H    THR  21           HN       THR  21  13.128   7.336   8.466
  156    HA   THR  21           HA       THR  21  11.656   8.339   6.157
  157    HB   THR  21           HB       THR  21  12.031   9.734   8.826
  158    HG1  THR  21           HG1      THR  21  10.768   7.718   8.839
  159   HG21  THR  21          HG21      THR  21  10.073  10.236   6.550
  160   HG22  THR  21          HG22      THR  21  11.477  11.238   6.924
  161   HG23  THR  21          HG23      THR  21  10.137  11.141   8.065
  162    H    ASP  22           HN       ASP  22  14.439   7.550   6.447
  163    HA   ASP  22           HA       ASP  22  16.025   9.941   6.254
  164    HB2  ASP  22           HB2      ASP  22  16.643   7.137   5.232
  165    HB3  ASP  22           HB1      ASP  22  17.788   8.468   5.303
  166    H    GLY  23           HN       GLY  23  15.201   7.455   3.872
  167    HA2  GLY  23           HA2      GLY  23  13.734   8.814   2.200
  168    HA3  GLY  23           HA1      GLY  23  15.335   9.459   1.789
  169    H    THR  24           HN       THR  24  13.638   6.424   2.339
  170    HA   THR  24           HA       THR  24  15.141   5.169   0.253
  171    HB   THR  24           HB       THR  24  14.445   3.636   1.961
  172    HG1  THR  24           HG1      THR  24  12.649   3.281  -0.159
  173   HG21  THR  24          HG21      THR  24  12.090   3.279   2.640
  174   HG22  THR  24          HG22      THR  24  11.596   4.612   1.597
  175   HG23  THR  24          HG23      THR  24  12.626   4.922   2.997
  176    H    ASP  25           HN       ASP  25  14.728   6.859  -1.250
  177    HA   ASP  25           HA       ASP  25  12.190   7.643  -2.050
  178    HB2  ASP  25           HB2      ASP  25  14.191   8.970  -2.564
  179    HB3  ASP  25           HB1      ASP  25  14.696   7.742  -3.729
  180    H    LEU  26           HN       LEU  26  10.754   6.932  -3.256
  181    HA   LEU  26           HA       LEU  26  11.097   4.424  -4.797
  182    HB2  LEU  26           HB2      LEU  26  10.327   4.369  -2.316
  183    HB3  LEU  26           HB1      LEU  26   8.887   5.153  -2.902
  184    HG   LEU  26           HG       LEU  26   8.380   3.182  -4.270
  185   HD11  LEU  26          HD11      LEU  26  10.858   2.043  -2.959
  186   HD12  LEU  26          HD12      LEU  26  10.703   2.453  -4.667
  187   HD13  LEU  26          HD13      LEU  26   9.726   1.154  -3.980
  188   HD21  LEU  26          HD21      LEU  26   7.538   3.388  -1.988
  189   HD22  LEU  26          HD22      LEU  26   8.997   2.613  -1.373
  190   HD23  LEU  26          HD23      LEU  26   7.877   1.703  -2.391
  191    H    SER  27           HN       SER  27  10.973   7.317  -5.407
  192    HA   SER  27           HA       SER  27   8.472   8.290  -6.008
  193    HB2  SER  27           HB2      SER  27   9.673   9.819  -7.573
  194    HB3  SER  27           HB1      SER  27  10.371   9.741  -5.955
  195    HG   SER  27           HG       SER  27  12.078   8.704  -6.691
  196    H    GLY  28           HN       GLY  28   7.091   8.074  -7.533
  197    HA2  GLY  28           HA2      GLY  28   6.314   7.740  -9.733
  198    HA3  GLY  28           HA1      GLY  28   7.825   6.910 -10.103
  199    H    ASP  29           HN       ASP  29   6.391   5.343 -11.057
  200    HA   ASP  29           HA       ASP  29   4.816   3.755  -9.259
  201    HB2  ASP  29           HB2      ASP  29   5.604   3.264 -12.142
  202    HB3  ASP  29           HB1      ASP  29   4.591   2.174 -11.206
  203    H    PHE  30           HN       PHE  30   5.453   2.177  -8.089
  204    HA   PHE  30           HA       PHE  30   8.101   1.003  -8.596
  205    HB2  PHE  30           HB2      PHE  30   8.443   0.867  -6.151
  206    HB3  PHE  30           HB1      PHE  30   8.176   2.515  -6.627
  207    HD1  PHE  30           HD1      PHE  30   5.772   3.466  -6.294
  208    HD2  PHE  30           HD2      PHE  30   7.190  -0.097  -4.443
  209    HE1  PHE  30           HE1      PHE  30   4.031   3.670  -4.569
  210    HE2  PHE  30           HE2      PHE  30   5.450   0.095  -2.718
  211    HZ   PHE  30           HZ       PHE  30   3.863   1.986  -2.780
  212    H    LEU  31           HN       LEU  31   5.329   0.304  -9.298
  213    HA   LEU  31           HA       LEU  31   4.176  -1.669  -7.725
  214    HB2  LEU  31           HB2      LEU  31   4.040  -1.511 -10.700
  215    HB3  LEU  31           HB1      LEU  31   2.945  -2.395  -9.667
  216    HG   LEU  31           HG       LEU  31   3.219   0.595  -9.997
  217   HD11  LEU  31          HD11      LEU  31   0.746  -1.038 -10.153
  218   HD12  LEU  31          HD12      LEU  31   1.875  -1.012 -11.476
  219   HD13  LEU  31          HD13      LEU  31   1.107   0.512 -10.941
  220   HD21  LEU  31          HD21      LEU  31   1.551  -0.867  -7.944
  221   HD22  LEU  31          HD22      LEU  31   1.502   0.866  -8.270
  222   HD23  LEU  31          HD23      LEU  31   2.960   0.134  -7.598
  223    H    ASP  32           HN       ASP  32   6.962  -2.001  -9.728
  224    HA   ASP  32           HA       ASP  32   6.613  -4.884  -9.956
  225    HB2  ASP  32           HB2      ASP  32   7.449  -3.536 -11.877
  226    HB3  ASP  32           HB1      ASP  32   8.879  -3.143 -10.936
  227    H    LEU  33           HN       LEU  33   8.183  -2.567  -8.006
  228    HA   LEU  33           HA       LEU  33  10.325  -4.257  -7.096
  229    HB2  LEU  33           HB2      LEU  33   9.220  -1.721  -5.873
  230    HB3  LEU  33           HB1      LEU  33  10.768  -2.459  -5.524
  231    HG   LEU  33           HG       LEU  33   9.969  -1.146  -8.118
  232   HD11  LEU  33          HD11      LEU  33  11.638   0.526  -7.509
  233   HD12  LEU  33          HD12      LEU  33  11.894  -0.294  -5.969
  234   HD13  LEU  33          HD13      LEU  33  10.333   0.442  -6.327
  235   HD21  LEU  33          HD21      LEU  33  12.599  -2.365  -7.289
  236   HD22  LEU  33          HD22      LEU  33  12.302  -1.459  -8.774
  237   HD23  LEU  33          HD23      LEU  33  11.494  -3.005  -8.507
  238    H    ARG  34           HN       ARG  34   9.890  -5.915  -5.787
  239    HA   ARG  34           HA       ARG  34   7.344  -6.045  -4.483
  240    HB2  ARG  34           HB2      ARG  34   9.688  -7.928  -4.174
  241    HB3  ARG  34           HB1      ARG  34   8.035  -8.235  -3.669
  242    HG2  ARG  34           HG2      ARG  34   7.399  -7.983  -6.115
  243    HG3  ARG  34           HG1      ARG  34   9.131  -8.070  -6.456
  244    HD2  ARG  34           HD2      ARG  34   9.153 -10.238  -5.146
  245    HD3  ARG  34           HD1      ARG  34   7.388 -10.081  -5.120
  246    HE   ARG  34           HE       ARG  34   8.612 -10.015  -7.715
  247   HH11  ARG  34          HH11      ARG  34   6.925 -11.970  -5.237
  248   HH12  ARG  34          HH12      ARG  34   6.548 -13.245  -6.281
  249   HH21  ARG  34          HH21      ARG  34   8.094 -11.821  -9.166
  250   HH22  ARG  34          HH22      ARG  34   7.223 -13.173  -8.567
  251    H    PHE  35           HN       PHE  35   6.947  -6.127  -2.304
  252    HA   PHE  35           HA       PHE  35   8.153  -4.102  -0.838
  253    HB2  PHE  35           HB2      PHE  35   6.587  -6.402   0.349
  254    HB3  PHE  35           HB1      PHE  35   6.833  -4.803   1.046
  255    HD1  PHE  35           HD1      PHE  35   5.952  -2.791  -0.312
  256    HD2  PHE  35           HD2      PHE  35   4.747  -6.814  -0.886
  257    HE1  PHE  35           HE1      PHE  35   3.883  -2.018  -1.404
  258    HE2  PHE  35           HE2      PHE  35   2.700  -6.058  -1.975
  259    HZ   PHE  35           HZ       PHE  35   2.250  -3.716  -2.245
  260    H    GLU  36           HN       GLU  36   8.701  -7.558  -0.691
  261    HA   GLU  36           HA       GLU  36  10.400  -7.731   1.486
  262    HB2  GLU  36           HB2      GLU  36  11.299  -9.781   0.450
  263    HB3  GLU  36           HB1      GLU  36   9.545  -9.715   0.380
  264    HG2  GLU  36           HG2      GLU  36   9.593  -9.155  -1.946
  265    HG3  GLU  36           HG1      GLU  36  11.343  -8.959  -1.910
  266    H    ASP  37           HN       ASP  37  11.087  -6.618  -1.763
  267    HA   ASP  37           HA       ASP  37  13.934  -6.803  -1.416
  268    HB2  ASP  37           HB2      ASP  37  12.890  -7.187  -3.623
  269    HB3  ASP  37           HB1      ASP  37  12.350  -5.510  -3.641
  270    H    ILE  38           HN       ILE  38  11.441  -4.378  -1.268
  271    HA   ILE  38           HA       ILE  38  13.458  -2.331  -0.915
  272    HB   ILE  38           HB       ILE  38  11.481  -0.727  -0.741
  273   HG12  ILE  38          HG12      ILE  38   9.999  -3.145  -1.812
  274   HG13  ILE  38          HG11      ILE  38   9.743  -2.393  -0.245
  275   HG21  ILE  38          HG21      ILE  38  11.175  -0.645  -3.181
  276   HG22  ILE  38          HG22      ILE  38  11.972  -2.216  -3.314
  277   HG23  ILE  38          HG23      ILE  38  12.857  -0.819  -2.691
  278   HD11  ILE  38          HD11      ILE  38   9.214  -1.124  -2.925
  279   HD12  ILE  38          HD12      ILE  38   8.958  -0.362  -1.356
  280   HD13  ILE  38          HD13      ILE  38   8.001  -1.770  -1.817
  281    H    GLY  39           HN       GLY  39  12.688  -4.458   1.120
  282    HA2  GLY  39           HA2      GLY  39  13.395  -4.417   3.350
  283    HA3  GLY  39           HA1      GLY  39  13.299  -2.669   3.318
  284    H    TYR  40           HN       TYR  40  10.511  -4.247   2.194
  285    HA   TYR  40           HA       TYR  40   9.140  -3.515   4.668
  286    HB2  TYR  40           HB2      TYR  40   8.182  -3.947   1.864
  287    HB3  TYR  40           HB1      TYR  40   7.084  -3.856   3.226
  288    HD1  TYR  40           HD2      TYR  40   9.796  -1.948   1.541
  289    HD2  TYR  40           HD1      TYR  40   6.231  -1.830   3.829
  290    HE1  TYR  40           HE2      TYR  40   9.721   0.481   1.267
  291    HE2  TYR  40           HE1      TYR  40   6.112   0.565   3.579
  292    HH   TYR  40           HH       TYR  40   7.528   2.440   3.038
  293    H    ASP  41           HN       ASP  41   8.917  -5.150   6.007
  294    HA   ASP  41           HA       ASP  41   8.354  -7.822   5.012
  295    HB2  ASP  41           HB2      ASP  41   8.349  -6.701   7.818
  296    HB3  ASP  41           HB1      ASP  41   8.032  -8.368   7.429
  297    H    SER  42           HN       SER  42   6.349  -8.821   5.445
  298    HA   SER  42           HA       SER  42   4.134  -7.378   4.881
  299    HB2  SER  42           HB2      SER  42   2.882  -9.381   5.646
  300    HB3  SER  42           HB1      SER  42   4.227  -9.680   4.545
  301    HG   SER  42           HG       SER  42   4.780 -11.086   5.973
  302    H    LEU  43           HN       LEU  43   5.542  -7.788   8.048
  303    HA   LEU  43           HA       LEU  43   3.333  -7.012   9.614
  304    HB2  LEU  43           HB2      LEU  43   5.473  -8.063  10.446
  305    HB3  LEU  43           HB1      LEU  43   6.277  -6.540  10.174
  306    HG   LEU  43           HG       LEU  43   5.802  -7.004  12.557
  307   HD11  LEU  43          HD11      LEU  43   4.328  -4.596  11.529
  308   HD12  LEU  43          HD12      LEU  43   6.046  -4.692  11.915
  309   HD13  LEU  43          HD13      LEU  43   4.843  -4.860  13.195
  310   HD21  LEU  43          HD21      LEU  43   2.911  -6.788  11.754
  311   HD22  LEU  43          HD22      LEU  43   3.514  -6.854  13.410
  312   HD23  LEU  43          HD23      LEU  43   3.739  -8.232  12.334
  313    H    ALA  44           HN       ALA  44   6.139  -5.040   8.528
  314    HA   ALA  44           HA       ALA  44   5.104  -2.543   9.278
  315    HB1  ALA  44           HB1      ALA  44   7.456  -2.906   8.745
  316    HB2  ALA  44           HB2      ALA  44   6.791  -1.606   7.747
  317    HB3  ALA  44           HB3      ALA  44   7.040  -3.218   7.064
  318    H    LEU  45           HN       LEU  45   4.778  -4.436   6.395
  319    HA   LEU  45           HA       LEU  45   3.588  -2.558   4.704
  320    HB2  LEU  45           HB2      LEU  45   4.532  -4.646   3.928
  321    HB3  LEU  45           HB1      LEU  45   3.347  -5.556   4.833
  322    HG   LEU  45           HG       LEU  45   1.580  -4.772   3.332
  323   HD11  LEU  45          HD11      LEU  45   2.530  -2.598   2.765
  324   HD12  LEU  45          HD12      LEU  45   2.152  -3.539   1.316
  325   HD13  LEU  45          HD13      LEU  45   3.824  -3.401   1.869
  326   HD21  LEU  45          HD21      LEU  45   3.984  -5.894   1.924
  327   HD22  LEU  45          HD22      LEU  45   2.319  -5.985   1.348
  328   HD23  LEU  45          HD23      LEU  45   2.789  -6.824   2.832
  329    H    MET  46           HN       MET  46   2.210  -4.669   7.193
  330    HA   MET  46           HA       MET  46  -0.470  -4.124   6.503
  331    HB2  MET  46           HB2      MET  46   0.571  -5.014   9.201
  332    HB3  MET  46           HB1      MET  46  -1.128  -4.855   8.720
  333    HG2  MET  46           HG2      MET  46  -0.828  -6.537   7.015
  334    HG3  MET  46           HG1      MET  46   0.870  -6.696   7.451
  335    HE1  MET  46           HE1      MET  46   1.706  -7.623   9.799
  336    HE2  MET  46           HE2      MET  46   0.619  -8.143  11.085
  337    HE3  MET  46           HE3      MET  46   0.699  -6.440  10.631
  338    H    GLU  47           HN       GLU  47   1.835  -2.286   8.362
  339    HA   GLU  47           HA       GLU  47  -0.057  -0.588   9.645
  340    HB2  GLU  47           HB2      GLU  47   2.360  -0.711  10.300
  341    HB3  GLU  47           HB1      GLU  47   2.766   0.124   8.802
  342    HG2  GLU  47           HG2      GLU  47   1.356   2.027   9.545
  343    HG3  GLU  47           HG1      GLU  47   1.121   1.205  11.081
  344    H    THR  48           HN       THR  48   1.238  -0.783   6.531
  345    HA   THR  48           HA       THR  48   0.745   1.827   5.508
  346    HB   THR  48           HB       THR  48   0.723  -0.817   4.014
  347    HG1  THR  48           HG1      THR  48   2.907   0.717   5.015
  348   HG21  THR  48          HG21      THR  48   1.545   0.535   2.143
  349   HG22  THR  48          HG22      THR  48   1.457   1.980   3.151
  350   HG23  THR  48          HG23      THR  48  -0.019   1.116   2.718
  351    H    ALA  49           HN       ALA  49  -0.817  -1.289   5.118
  352    HA   ALA  49           HA       ALA  49  -3.252  -0.484   4.054
  353    HB1  ALA  49           HB1      ALA  49  -2.645  -2.882   5.786
  354    HB2  ALA  49           HB2      ALA  49  -2.427  -2.794   4.038
  355    HB3  ALA  49           HB3      ALA  49  -4.047  -2.685   4.733
  356    H    ALA  50           HN       ALA  50  -2.201  -0.810   7.416
  357    HA   ALA  50           HA       ALA  50  -4.566  -0.620   8.651
  358    HB1  ALA  50           HB1      ALA  50  -2.529  -1.180   9.818
  359    HB2  ALA  50           HB2      ALA  50  -3.382   0.119  10.660
  360    HB3  ALA  50           HB3      ALA  50  -1.965   0.487   9.673
  361    H    ARG  51           HN       ARG  51  -2.415   1.992   7.691
  362    HA   ARG  51           HA       ARG  51  -3.932   4.158   8.701
  363    HB2  ARG  51           HB2      ARG  51  -2.037   4.130   6.338
  364    HB3  ARG  51           HB1      ARG  51  -2.613   5.570   7.170
  365    HG2  ARG  51           HG2      ARG  51  -1.508   4.820   9.217
  366    HG3  ARG  51           HG1      ARG  51  -0.927   3.390   8.368
  367    HD2  ARG  51           HD2      ARG  51   0.293   4.856   6.804
  368    HD3  ARG  51           HD1      ARG  51  -0.237   6.255   7.740
  369    HE   ARG  51           HE       ARG  51   1.306   4.096   8.978
  370   HH11  ARG  51          HH11      ARG  51   1.093   7.505   8.035
  371   HH12  ARG  51          HH12      ARG  51   2.300   8.035   9.101
  372   HH21  ARG  51          HH21      ARG  51   3.023   4.748  10.332
  373   HH22  ARG  51          HH22      ARG  51   3.461   6.386  10.505
  374    H    LEU  52           HN       LEU  52  -3.927   2.435   5.672
  375    HA   LEU  52           HA       LEU  52  -5.753   4.058   4.288
  376    HB2  LEU  52           HB2      LEU  52  -5.062   1.144   3.960
  377    HB3  LEU  52           HB1      LEU  52  -5.923   2.102   2.776
  378    HG   LEU  52           HG       LEU  52  -3.083   2.574   3.684
  379   HD11  LEU  52          HD11      LEU  52  -3.272   0.569   2.349
  380   HD12  LEU  52          HD12      LEU  52  -2.454   1.844   1.444
  381   HD13  LEU  52          HD13      LEU  52  -4.142   1.460   1.102
  382   HD21  LEU  52          HD21      LEU  52  -4.190   4.655   3.057
  383   HD22  LEU  52          HD22      LEU  52  -4.692   3.939   1.525
  384   HD23  LEU  52          HD23      LEU  52  -2.984   4.200   1.854
  385    H    GLU  53           HN       GLU  53  -6.124   1.144   6.284
  386    HA   GLU  53           HA       GLU  53  -8.865   0.742   6.085
  387    HB2  GLU  53           HB2      GLU  53  -7.131   0.377   8.541
  388    HB3  GLU  53           HB1      GLU  53  -8.759  -0.245   8.362
  389    HG2  GLU  53           HG2      GLU  53  -7.898  -1.569   6.407
  390    HG3  GLU  53           HG1      GLU  53  -6.278  -1.081   6.912
  391    H    SER  54           HN       SER  54  -7.079   2.601   8.466
  392    HA   SER  54           HA       SER  54  -9.326   3.571   9.825
  393    HB2  SER  54           HB2      SER  54  -7.062   3.527  10.775
  394    HB3  SER  54           HB1      SER  54  -6.570   4.790   9.650
  395    HG   SER  54           HG       SER  54  -7.063   5.836  11.437
  396    H    ARG  55           HN       ARG  55  -7.526   4.977   7.106
  397    HA   ARG  55           HA       ARG  55  -8.997   7.383   7.132
  398    HB2  ARG  55           HB2      ARG  55  -6.879   7.384   5.991
  399    HB3  ARG  55           HB1      ARG  55  -7.429   6.141   4.869
  400    HG2  ARG  55           HG2      ARG  55  -9.120   7.671   3.999
  401    HG3  ARG  55           HG1      ARG  55  -8.566   8.915   5.110
  402    HD2  ARG  55           HD2      ARG  55  -6.466   9.064   3.987
  403    HD3  ARG  55           HD1      ARG  55  -6.842   7.646   2.996
  404    HE   ARG  55           HE       ARG  55  -8.817   9.647   2.741
  405   HH11  ARG  55          HH11      ARG  55  -5.437   9.247   1.762
  406   HH12  ARG  55          HH12      ARG  55  -5.711   9.754   0.146
  407   HH21  ARG  55          HH21      ARG  55  -9.181  10.298   0.530
  408   HH22  ARG  55          HH22      ARG  55  -7.878  10.328  -0.577
  409    H    TYR  56           HN       TYR  56  -9.453   4.433   5.210
  410    HA   TYR  56           HA       TYR  56 -11.726   5.713   3.916
  411    HB2  TYR  56           HB2      TYR  56 -10.297   3.136   3.328
  412    HB3  TYR  56           HB1      TYR  56 -11.668   3.724   2.406
  413    HD1  TYR  56           HD1      TYR  56 -11.338   6.279   1.574
  414    HD2  TYR  56           HD2      TYR  56  -8.232   3.532   2.484
  415    HE1  TYR  56           HE1      TYR  56  -9.782   7.574   0.176
  416    HE2  TYR  56           HE2      TYR  56  -6.677   4.815   1.100
  417    HH   TYR  56           HH       TYR  56  -7.344   7.929  -0.044
  418    H    GLY  57           HN       GLY  57 -11.248   3.582   6.521
  419    HA2  GLY  57           HA2      GLY  57 -12.837   2.636   7.877
  420    HA3  GLY  57           HA1      GLY  57 -14.083   3.213   6.780
  421    H    VAL  58           HN       VAL  58 -11.506   1.485   5.429
  422    HA   VAL  58           HA       VAL  58 -13.319  -0.723   4.833
  423    HB   VAL  58           HB       VAL  58 -12.359   0.418   2.867
  424   HG11  VAL  58          HG11      VAL  58 -10.316   1.305   3.797
  425   HG12  VAL  58          HG12      VAL  58  -9.961   0.357   2.355
  426   HG13  VAL  58          HG13      VAL  58  -9.650  -0.321   3.952
  427   HG21  VAL  58          HG21      VAL  58 -11.184  -2.335   3.255
  428   HG22  VAL  58          HG22      VAL  58 -11.365  -1.515   1.703
  429   HG23  VAL  58          HG23      VAL  58 -12.794  -1.958   2.640
  430    H    SER  59           HN       SER  59 -12.836  -2.741   5.548
  431    HA   SER  59           HA       SER  59 -10.613  -2.906   7.378
  432    HB2  SER  59           HB2      SER  59 -12.906  -4.814   6.856
  433    HB3  SER  59           HB1      SER  59 -11.747  -4.910   8.187
  434    HG   SER  59           HG       SER  59 -12.479  -2.795   8.794
  435    H    ILE  60           HN       ILE  60  -8.793  -3.740   6.723
  436    HA   ILE  60           HA       ILE  60  -8.746  -5.346   4.269
  437    HB   ILE  60           HB       ILE  60  -6.474  -3.873   5.648
  438   HG12  ILE  60          HG12      ILE  60  -7.929  -3.178   3.085
  439   HG13  ILE  60          HG11      ILE  60  -8.188  -2.378   4.632
  440   HG21  ILE  60          HG21      ILE  60  -5.704  -5.841   4.411
  441   HG22  ILE  60          HG22      ILE  60  -5.202  -4.362   3.589
  442   HG23  ILE  60          HG23      ILE  60  -6.566  -5.292   2.974
  443   HD11  ILE  60          HD11      ILE  60  -5.862  -1.635   4.618
  444   HD12  ILE  60          HD12      ILE  60  -6.740  -1.065   3.192
  445   HD13  ILE  60          HD13      ILE  60  -5.625  -2.427   3.067
  446    HA   PRO  61           HA       PRO  61  -8.186  -8.809   7.062
  447    HB2  PRO  61           HB2      PRO  61  -7.265 -10.064   4.526
  448    HB3  PRO  61           HB1      PRO  61  -8.479 -10.627   5.681
  449    HG2  PRO  61           HG2      PRO  61  -9.218  -9.602   3.345
  450    HG3  PRO  61           HG1      PRO  61 -10.129  -9.246   4.824
  451    HD2  PRO  61           HD2      PRO  61  -8.179  -7.540   3.341
  452    HD3  PRO  61           HD1      PRO  61  -9.691  -7.080   4.153
  453    H    ASP  62           HN       ASP  62  -6.479  -9.171   8.240
  454    HA   ASP  62           HA       ASP  62  -3.981  -8.039   7.974
  455    HB2  ASP  62           HB2      ASP  62  -4.698 -10.540   9.512
  456    HB3  ASP  62           HB1      ASP  62  -3.208  -9.616   9.682
  457    H    ASP  63           HN       ASP  63  -5.025 -11.229   6.996
  458    HA   ASP  63           HA       ASP  63  -2.469 -12.237   6.292
  459    HB2  ASP  63           HB2      ASP  63  -5.239 -13.028   5.419
  460    HB3  ASP  63           HB1      ASP  63  -3.807 -13.809   4.774
  461    H    VAL  64           HN       VAL  64  -4.982 -10.625   4.453
  462    HA   VAL  64           HA       VAL  64  -3.659 -10.909   1.931
  463    HB   VAL  64           HB       VAL  64  -5.933  -9.052   2.730
  464   HG11  VAL  64          HG11      VAL  64  -4.837  -8.283   0.686
  465   HG12  VAL  64          HG12      VAL  64  -6.445  -8.919   0.336
  466   HG13  VAL  64          HG13      VAL  64  -5.015  -9.887  -0.025
  467   HG21  VAL  64          HG21      VAL  64  -7.393 -10.727   1.694
  468   HG22  VAL  64          HG22      VAL  64  -6.497 -11.395   3.061
  469   HG23  VAL  64          HG23      VAL  64  -5.994 -11.765   1.413
  470    H    ALA  65           HN       ALA  65  -3.876  -8.449   4.391
  471    HA   ALA  65           HA       ALA  65  -2.684  -6.285   3.127
  472    HB1  ALA  65           HB1      ALA  65  -2.480  -7.101   6.028
  473    HB2  ALA  65           HB2      ALA  65  -3.775  -6.151   5.307
  474    HB3  ALA  65           HB3      ALA  65  -2.139  -5.495   5.381
  475    H    GLY  66           HN       GLY  66  -1.217  -9.154   4.529
  476    HA2  GLY  66           HA2      GLY  66   1.407  -8.116   3.669
  477    HA3  GLY  66           HA1      GLY  66   1.189  -9.234   5.009
  478    H    ARG  67           HN       ARG  67  -0.699  -9.641   2.179
  479    HA   ARG  67           HA       ARG  67   0.695 -12.169   1.568
  480    HB2  ARG  67           HB2      ARG  67  -1.660 -12.350   2.047
  481    HB3  ARG  67           HB1      ARG  67  -2.038 -11.103   0.880
  482    HG2  ARG  67           HG2      ARG  67  -1.363 -12.604  -0.926
  483    HG3  ARG  67           HG1      ARG  67  -0.992 -13.855   0.268
  484    HD2  ARG  67           HD2      ARG  67  -3.257 -13.947   0.987
  485    HD3  ARG  67           HD1      ARG  67  -3.675 -12.526   0.038
  486    HE   ARG  67           HE       ARG  67  -2.787 -14.252  -1.814
  487   HH11  ARG  67          HH11      ARG  67  -5.118 -14.635   0.821
  488   HH12  ARG  67          HH12      ARG  67  -6.226 -15.574  -0.059
  489   HH21  ARG  67          HH21      ARG  67  -4.292 -15.619  -3.056
  490   HH22  ARG  67          HH22      ARG  67  -5.740 -16.148  -2.306
  491    H    VAL  68           HN       VAL  68   0.106  -9.060   0.416
  492    HA   VAL  68           HA       VAL  68   0.334  -9.601  -2.375
  493    HB   VAL  68           HB       VAL  68   0.379  -7.072  -2.546
  494   HG11  VAL  68          HG11      VAL  68  -1.841  -8.313  -0.914
  495   HG12  VAL  68          HG12      VAL  68  -1.706  -8.352  -2.672
  496   HG13  VAL  68          HG13      VAL  68  -1.964  -6.817  -1.841
  497   HG21  VAL  68          HG21      VAL  68   1.401  -6.608  -0.344
  498   HG22  VAL  68          HG22      VAL  68  -0.041  -7.246   0.447
  499   HG23  VAL  68          HG23      VAL  68  -0.147  -5.783  -0.532
  500    H    ASP  69           HN       ASP  69   2.071  -9.670  -3.572
  501    HA   ASP  69           HA       ASP  69   4.745  -9.265  -2.422
  502    HB2  ASP  69           HB2      ASP  69   3.764 -10.385  -5.034
  503    HB3  ASP  69           HB1      ASP  69   5.435  -9.905  -4.842
  504    H    THR  70           HN       THR  70   2.927  -7.994  -5.144
  505    HA   THR  70           HA       THR  70   4.922  -5.905  -5.223
  506    HB   THR  70           HB       THR  70   4.044  -5.569  -7.556
  507    HG1  THR  70           HG1      THR  70   2.978  -7.679  -8.274
  508   HG21  THR  70          HG21      THR  70   5.240  -7.559  -8.444
  509   HG22  THR  70          HG22      THR  70   5.223  -8.243  -6.805
  510   HG23  THR  70          HG23      THR  70   6.116  -6.766  -7.131
  511    HA   PRO  71           HA       PRO  71   2.068  -2.812  -3.883
  512    HB2  PRO  71           HB2      PRO  71   3.061  -1.355  -6.289
  513    HB3  PRO  71           HB1      PRO  71   2.921  -0.797  -4.615
  514    HG2  PRO  71           HG2      PRO  71   5.284  -1.463  -5.573
  515    HG3  PRO  71           HG1      PRO  71   4.816  -1.953  -3.934
  516    HD2  PRO  71           HD2      PRO  71   4.951  -3.566  -6.430
  517    HD3  PRO  71           HD1      PRO  71   5.353  -4.027  -4.762
  518    H    ARG  72           HN       ARG  72   2.200  -3.504  -7.334
  519    HA   ARG  72           HA       ARG  72  -0.312  -2.499  -7.971
  520    HB2  ARG  72           HB2      ARG  72  -0.209  -4.037 -10.011
  521    HB3  ARG  72           HB1      ARG  72   1.107  -2.905  -9.794
  522    HG2  ARG  72           HG2      ARG  72   2.378  -4.749  -8.736
  523    HG3  ARG  72           HG1      ARG  72   1.135  -5.821  -9.400
  524    HD2  ARG  72           HD2      ARG  72   1.592  -5.117 -11.623
  525    HD3  ARG  72           HD1      ARG  72   2.624  -3.795 -11.059
  526    HE   ARG  72           HE       ARG  72   3.292  -6.407 -10.243
  527   HH11  ARG  72          HH11      ARG  72   3.945  -3.854 -12.610
  528   HH12  ARG  72          HH12      ARG  72   5.473  -4.459 -13.066
  529   HH21  ARG  72          HH21      ARG  72   5.492  -7.229 -10.863
  530   HH22  ARG  72          HH22      ARG  72   6.412  -6.353 -11.982
  531    H    GLU  73           HN       GLU  73   0.449  -5.633  -6.593
  532    HA   GLU  73           HA       GLU  73  -2.094  -6.841  -6.876
  533    HB2  GLU  73           HB2      GLU  73  -0.018  -7.119  -4.685
  534    HB3  GLU  73           HB1      GLU  73  -1.407  -8.172  -4.871
  535    HG2  GLU  73           HG2      GLU  73   0.744  -7.847  -6.941
  536    HG3  GLU  73           HG1      GLU  73   0.761  -9.085  -5.688
  537    H    LEU  74           HN       LEU  74  -0.615  -4.959  -4.330
  538    HA   LEU  74           HA       LEU  74  -2.776  -4.968  -2.514
  539    HB2  LEU  74           HB2      LEU  74  -0.374  -4.654  -1.939
  540    HB3  LEU  74           HB1      LEU  74  -0.387  -3.118  -2.755
  541    HG   LEU  74           HG       LEU  74  -0.373  -3.031  -0.245
  542   HD11  LEU  74          HD11      LEU  74  -2.692  -1.680  -1.570
  543   HD12  LEU  74          HD12      LEU  74  -1.034  -1.091  -1.494
  544   HD13  LEU  74          HD13      LEU  74  -1.989  -1.240  -0.016
  545   HD21  LEU  74          HD21      LEU  74  -2.476  -3.416   0.949
  546   HD22  LEU  74          HD22      LEU  74  -1.855  -4.895   0.215
  547   HD23  LEU  74          HD23      LEU  74  -3.199  -4.034  -0.536
  548    H    LEU  75           HN       LEU  75  -1.587  -2.577  -4.821
  549    HA   LEU  75           HA       LEU  75  -3.356  -0.502  -4.335
  550    HB2  LEU  75           HB2      LEU  75  -1.322  -0.346  -5.718
  551    HB3  LEU  75           HB1      LEU  75  -2.095  -1.309  -6.957
  552    HG   LEU  75           HG       LEU  75  -3.770   0.493  -7.270
  553   HD11  LEU  75          HD11      LEU  75  -2.028   2.016  -5.340
  554   HD12  LEU  75          HD12      LEU  75  -3.677   1.468  -5.047
  555   HD13  LEU  75          HD13      LEU  75  -3.359   2.685  -6.282
  556   HD21  LEU  75          HD21      LEU  75  -1.790   0.378  -8.694
  557   HD22  LEU  75          HD22      LEU  75  -0.889   1.355  -7.536
  558   HD23  LEU  75          HD23      LEU  75  -2.259   2.052  -8.401
  559    H    ASP  76           HN       ASP  76  -3.616  -3.201  -6.635
  560    HA   ASP  76           HA       ASP  76  -6.080  -2.346  -7.735
  561    HB2  ASP  76           HB2      ASP  76  -4.592  -3.901  -8.923
  562    HB3  ASP  76           HB1      ASP  76  -4.920  -5.136  -7.707
  563    H    LEU  77           HN       LEU  77  -5.273  -4.682  -5.221
  564    HA   LEU  77           HA       LEU  77  -7.851  -5.671  -4.769
  565    HB2  LEU  77           HB2      LEU  77  -5.637  -6.598  -3.928
  566    HB3  LEU  77           HB1      LEU  77  -5.642  -5.344  -2.718
  567    HG   LEU  77           HG       LEU  77  -6.287  -7.596  -1.876
  568   HD11  LEU  77          HD11      LEU  77  -7.005  -5.668  -0.611
  569   HD12  LEU  77          HD12      LEU  77  -8.232  -6.934  -0.557
  570   HD13  LEU  77          HD13      LEU  77  -8.455  -5.530  -1.605
  571   HD21  LEU  77          HD21      LEU  77  -8.728  -7.213  -3.595
  572   HD22  LEU  77          HD22      LEU  77  -8.511  -8.488  -2.397
  573   HD23  LEU  77          HD23      LEU  77  -7.469  -8.426  -3.818
  574    H    ILE  78           HN       ILE  78  -6.119  -2.971  -3.215
  575    HA   ILE  78           HA       ILE  78  -8.380  -2.362  -1.623
  576    HB   ILE  78           HB       ILE  78  -5.907  -0.664  -2.117
  577   HG12  ILE  78          HG12      ILE  78  -6.704  -2.492   0.161
  578   HG13  ILE  78          HG11      ILE  78  -5.465  -2.820  -1.042
  579   HG21  ILE  78          HG21      ILE  78  -8.078  -0.369  -0.019
  580   HG22  ILE  78          HG22      ILE  78  -7.818   0.717  -1.385
  581   HG23  ILE  78          HG23      ILE  78  -6.600   0.591  -0.117
  582   HD11  ILE  78          HD11      ILE  78  -4.509  -2.124   1.077
  583   HD12  ILE  78          HD12      ILE  78  -5.394  -0.598   0.988
  584   HD13  ILE  78          HD13      ILE  78  -4.143  -0.968  -0.199
  585    H    ASN  79           HN       ASN  79  -7.239  -1.164  -4.740
  586    HA   ASN  79           HA       ASN  79  -9.022   1.007  -5.014
  587    HB2  ASN  79           HB2      ASN  79  -7.640  -0.770  -6.983
  588    HB3  ASN  79           HB1      ASN  79  -8.968   0.210  -7.573
  589   HD21  ASN  79          HD21      ASN  79  -6.960   1.460  -5.003
  590   HD22  ASN  79          HD22      ASN  79  -6.085   2.580  -6.008
  591    H    GLY  80           HN       GLY  80  -9.507  -2.410  -5.751
  592    HA2  GLY  80           HA2      GLY  80 -12.156  -2.185  -6.676
  593    HA3  GLY  80           HA1      GLY  80 -11.440  -3.633  -5.979
  594    H    ALA  81           HN       ALA  81 -10.855  -2.719  -3.441
  595    HA   ALA  81           HA       ALA  81 -13.368  -3.003  -2.156
  596    HB1  ALA  81           HB1      ALA  81 -12.116  -2.787  -0.068
  597    HB2  ALA  81           HB2      ALA  81 -10.711  -2.201  -0.956
  598    HB3  ALA  81           HB3      ALA  81 -11.274  -3.855  -1.191
  599    H    LEU  82           HN       LEU  82 -11.469  -0.240  -3.059
  600    HA   LEU  82           HA       LEU  82 -12.904   1.614  -1.435
  601    HB2  LEU  82           HB2      LEU  82 -11.014   1.967  -3.738
  602    HB3  LEU  82           HB1      LEU  82 -11.688   3.307  -2.852
  603    HG   LEU  82           HG       LEU  82  -9.806   1.195  -1.837
  604   HD11  LEU  82          HD11      LEU  82  -8.748   2.914  -3.146
  605   HD12  LEU  82          HD12      LEU  82  -8.308   3.073  -1.446
  606   HD13  LEU  82          HD13      LEU  82  -9.500   4.164  -2.156
  607   HD21  LEU  82          HD21      LEU  82 -11.432   1.686  -0.102
  608   HD22  LEU  82          HD22      LEU  82 -11.137   3.414  -0.293
  609   HD23  LEU  82          HD23      LEU  82  -9.856   2.362   0.314
  610    H    ALA  83           HN       ALA  83 -12.946   0.604  -4.817
  611    HA   ALA  83           HA       ALA  83 -14.899   2.391  -5.696
  612    HB1  ALA  83           HB1      ALA  83 -15.232   0.827  -7.556
  613    HB2  ALA  83           HB2      ALA  83 -14.326  -0.408  -6.683
  614    HB3  ALA  83           HB3      ALA  83 -13.519   1.066  -7.220
  615    H    GLU  84           HN       GLU  84 -15.084  -0.685  -4.076
  616    HA   GLU  84           HA       GLU  84 -17.961  -0.865  -4.228
  617    HB2  GLU  84           HB2      GLU  84 -15.888  -2.545  -2.835
  618    HB3  GLU  84           HB1      GLU  84 -17.614  -2.889  -2.798
  619    HG2  GLU  84           HG2      GLU  84 -17.650  -3.193  -5.180
  620    HG3  GLU  84           HG1      GLU  84 -15.960  -2.709  -5.297
  621    H    ALA  85           HN       ALA  85 -16.100   1.099  -2.450
  622    HA   ALA  85           HA       ALA  85 -17.437   0.673   0.095
  623    HB1  ALA  85           HB1      ALA  85 -15.352   2.716  -0.668
  624    HB2  ALA  85           HB2      ALA  85 -15.038   1.163   0.110
  625    HB3  ALA  85           HB3      ALA  85 -15.958   2.406   0.959
  626    H    ALA  86           HN       ALA  86 -19.524   1.238  -0.295
  627    HA   ALA  86           HA       ALA  86 -20.243   3.950  -0.151
  628    HB1  ALA  86           HB1      ALA  86 -19.799   3.910  -2.581
  629    HB2  ALA  86           HB2      ALA  86 -21.524   4.076  -2.264
  630    HB3  ALA  86           HB3      ALA  86 -20.862   2.514  -2.754
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1 -16.636   7.773   1.733
    2    H2   MET   1           HT2      MET   1 -15.357   6.879   1.101
    3    H3   MET   1           HT3      MET   1 -16.924   6.629   0.513
    4    HA   MET   1           HA       MET   1 -16.974   8.890  -0.324
    5    HB2  MET   1           HB2      MET   1 -15.329   9.834   1.270
    6    HB3  MET   1           HB1      MET   1 -14.053   8.906   0.499
    7    HG2  MET   1           HG2      MET   1 -14.368  10.163  -1.564
    8    HG3  MET   1           HG1      MET   1 -15.677  11.078  -0.821
    9    HE1  MET   1           HE1      MET   1 -13.198  12.466  -2.262
   10    HE2  MET   1           HE2      MET   1 -12.830  13.753  -1.114
   11    HE3  MET   1           HE3      MET   1 -14.510  13.362  -1.492
   12    H    ALA   2           HN       ALA   2 -14.574   6.303  -0.484
   13    HA   ALA   2           HA       ALA   2 -13.890   4.983  -2.124
   14    HB1  ALA   2           HB1      ALA   2 -16.264   4.851  -2.782
   15    HB2  ALA   2           HB2      ALA   2 -15.194   4.761  -4.182
   16    HB3  ALA   2           HB3      ALA   2 -16.047   6.262  -3.818
   17    H    THR   3           HN       THR   3 -12.666   7.467  -1.665
   18    HA   THR   3           HA       THR   3 -11.738   8.382  -4.282
   19    HB   THR   3           HB       THR   3 -11.975  10.085  -2.508
   20    HG1  THR   3           HG1      THR   3  -9.173   9.822  -2.764
   21   HG21  THR   3          HG21      THR   3 -10.545  10.092  -0.494
   22   HG22  THR   3          HG22      THR   3  -9.960   8.481  -0.924
   23   HG23  THR   3          HG23      THR   3 -11.658   8.725  -0.517
   24    H    LEU   4           HN       LEU   4 -10.670   7.246  -5.372
   25    HA   LEU   4           HA       LEU   4  -9.436   4.916  -4.475
   26    HB2  LEU   4           HB2      LEU   4 -10.501   5.553  -6.731
   27    HB3  LEU   4           HB1      LEU   4  -8.891   6.199  -7.063
   28    HG   LEU   4           HG       LEU   4  -7.993   4.025  -6.458
   29   HD11  LEU   4          HD11      LEU   4  -9.530   2.068  -6.631
   30   HD12  LEU   4          HD12      LEU   4 -10.890   3.190  -6.689
   31   HD13  LEU   4          HD13      LEU   4  -9.878   3.108  -5.249
   32   HD21  LEU   4          HD21      LEU   4  -9.812   4.172  -8.866
   33   HD22  LEU   4          HD22      LEU   4  -8.485   3.023  -8.675
   34   HD23  LEU   4          HD23      LEU   4  -8.149   4.751  -8.774
   35    H    LEU   5           HN       LEU   5  -7.316   4.333  -4.648
   36    HA   LEU   5           HA       LEU   5  -5.334   6.417  -4.224
   37    HB2  LEU   5           HB2      LEU   5  -5.270   3.441  -3.803
   38    HB3  LEU   5           HB1      LEU   5  -3.960   4.545  -3.459
   39    HG   LEU   5           HG       LEU   5  -6.628   4.496  -2.064
   40   HD11  LEU   5          HD11      LEU   5  -5.338   3.652  -0.173
   41   HD12  LEU   5          HD12      LEU   5  -3.879   3.657  -1.164
   42   HD13  LEU   5          HD13      LEU   5  -5.202   2.568  -1.559
   43   HD21  LEU   5          HD21      LEU   5  -4.141   6.117  -1.562
   44   HD22  LEU   5          HD22      LEU   5  -5.586   6.096  -0.549
   45   HD23  LEU   5          HD23      LEU   5  -5.668   6.729  -2.193
   46    H    THR   6           HN       THR   6  -3.940   6.792  -5.837
   47    HA   THR   6           HA       THR   6  -3.598   4.723  -7.877
   48    HB   THR   6           HB       THR   6  -2.374   6.487  -9.171
   49    HG1  THR   6           HG1      THR   6  -3.188   8.148  -6.987
   50   HG21  THR   6          HG21      THR   6  -4.322   7.889  -9.736
   51   HG22  THR   6          HG22      THR   6  -5.130   7.353  -8.267
   52   HG23  THR   6          HG23      THR   6  -4.790   6.196  -9.558
   53    H    THR   7           HN       THR   7  -1.026   4.989  -8.637
   54    HA   THR   7           HA       THR   7   0.443   3.817  -6.589
   55    HB   THR   7           HB       THR   7   1.576   5.277  -9.000
   56    HG1  THR   7           HG1      THR   7   0.101   3.770  -9.742
   57   HG21  THR   7          HG21      THR   7   3.410   3.655  -8.783
   58   HG22  THR   7          HG22      THR   7   2.629   2.953  -7.367
   59   HG23  THR   7          HG23      THR   7   3.248   4.604  -7.304
   60    H    ASP   8           HN       ASP   8   0.252   7.199  -7.592
   61    HA   ASP   8           HA       ASP   8   2.375   8.221  -5.998
   62    HB2  ASP   8           HB2      ASP   8  -0.124   9.745  -6.806
   63    HB3  ASP   8           HB1      ASP   8   1.416  10.434  -6.320
   64    H    ASP   9           HN       ASP   9  -1.062   7.836  -5.427
   65    HA   ASP   9           HA       ASP   9  -1.154   9.096  -2.861
   66    HB2  ASP   9           HB2      ASP   9  -3.001   6.950  -3.937
   67    HB3  ASP   9           HB1      ASP   9  -3.337   7.981  -2.566
   68    H    LEU  10           HN       LEU  10  -0.765   5.826  -3.994
   69    HA   LEU  10           HA       LEU  10  -0.926   4.478  -1.543
   70    HB2  LEU  10           HB2      LEU  10  -1.125   3.503  -3.840
   71    HB3  LEU  10           HB1      LEU  10   0.614   3.656  -3.998
   72    HG   LEU  10           HG       LEU  10   0.858   2.150  -2.034
   73   HD11  LEU  10          HD11      LEU  10  -1.085   0.844  -1.348
   74   HD12  LEU  10          HD12      LEU  10  -2.117   1.841  -2.390
   75   HD13  LEU  10          HD13      LEU  10  -1.290   2.562  -1.010
   76   HD21  LEU  10          HD21      LEU  10   1.051   1.300  -4.316
   77   HD22  LEU  10          HD22      LEU  10  -0.694   1.047  -4.378
   78   HD23  LEU  10          HD23      LEU  10   0.295   0.107  -3.263
   79    H    ARG  11           HN       ARG  11   1.814   5.707  -3.415
   80    HA   ARG  11           HA       ARG  11   3.972   4.779  -1.994
   81    HB2  ARG  11           HB2      ARG  11   4.298   5.984  -4.031
   82    HB3  ARG  11           HB1      ARG  11   3.576   7.435  -3.356
   83    HG2  ARG  11           HG2      ARG  11   5.455   7.675  -1.821
   84    HG3  ARG  11           HG1      ARG  11   6.173   6.199  -2.463
   85    HD2  ARG  11           HD2      ARG  11   7.176   8.217  -3.423
   86    HD3  ARG  11           HD1      ARG  11   6.395   7.208  -4.636
   87    HE   ARG  11           HE       ARG  11   5.005   9.502  -3.477
   88   HH11  ARG  11          HH11      ARG  11   6.200   7.740  -6.297
   89   HH12  ARG  11          HH12      ARG  11   5.614   8.893  -7.425
   90   HH21  ARG  11          HH21      ARG  11   4.211  11.089  -5.036
   91   HH22  ARG  11          HH22      ARG  11   4.477  10.810  -6.697
   92    H    ARG  12           HN       ARG  12   1.970   7.553  -1.266
   93    HA   ARG  12           HA       ARG  12   3.458   8.780   0.728
   94    HB2  ARG  12           HB2      ARG  12   1.462   9.710  -0.355
   95    HB3  ARG  12           HB1      ARG  12   0.469   8.554   0.511
   96    HG2  ARG  12           HG2      ARG  12   1.147   9.573   2.632
   97    HG3  ARG  12           HG1      ARG  12   2.119  10.750   1.739
   98    HD2  ARG  12           HD2      ARG  12  -0.862  10.354   1.553
   99    HD3  ARG  12           HD1      ARG  12  -0.018  11.729   2.278
  100    HE   ARG  12           HE       ARG  12   0.970  11.937  -0.073
  101   HH11  ARG  12          HH11      ARG  12  -2.395  11.130   0.650
  102   HH12  ARG  12          HH12      ARG  12  -2.974  11.570  -0.890
  103   HH21  ARG  12          HH21      ARG  12   0.234  12.540  -2.071
  104   HH22  ARG  12          HH22      ARG  12  -1.411  12.508  -2.533
  105    H    ALA  13           HN       ALA  13   1.096   6.167   0.959
  106    HA   ALA  13           HA       ALA  13   1.018   6.012   3.772
  107    HB1  ALA  13           HB1      ALA  13  -0.693   5.021   2.344
  108    HB2  ALA  13           HB2      ALA  13   0.000   3.827   3.443
  109    HB3  ALA  13           HB3      ALA  13   0.483   3.852   1.748
  110    H    LEU  14           HN       LEU  14   2.979   4.344   1.339
  111    HA   LEU  14           HA       LEU  14   4.312   2.638   3.138
  112    HB2  LEU  14           HB2      LEU  14   5.038   3.634   0.386
  113    HB3  LEU  14           HB1      LEU  14   6.098   2.586   1.288
  114    HG   LEU  14           HG       LEU  14   4.907   1.342  -0.354
  115   HD11  LEU  14          HD11      LEU  14   5.395   0.135   1.641
  116   HD12  LEU  14          HD12      LEU  14   3.814  -0.378   1.020
  117   HD13  LEU  14          HD13      LEU  14   3.909   0.720   2.393
  118   HD21  LEU  14          HD21      LEU  14   2.474   1.027  -0.323
  119   HD22  LEU  14          HD22      LEU  14   2.929   2.697  -0.658
  120   HD23  LEU  14          HD23      LEU  14   2.349   2.245   0.946
  121    H    VAL  15           HN       VAL  15   4.973   5.895   1.997
  122    HA   VAL  15           HA       VAL  15   7.520   6.163   3.223
  123    HB   VAL  15           HB       VAL  15   5.495   8.315   2.481
  124   HG11  VAL  15          HG11      VAL  15   7.388   9.882   2.555
  125   HG12  VAL  15          HG12      VAL  15   8.436   8.588   3.136
  126   HG13  VAL  15          HG13      VAL  15   7.096   9.152   4.134
  127   HG21  VAL  15          HG21      VAL  15   6.248   7.003   0.565
  128   HG22  VAL  15          HG22      VAL  15   7.929   7.306   1.009
  129   HG23  VAL  15          HG23      VAL  15   6.895   8.641   0.500
  130    H    GLU  16           HN       GLU  16   4.279   7.252   4.225
  131    HA   GLU  16           HA       GLU  16   5.002   8.375   6.666
  132    HB2  GLU  16           HB2      GLU  16   2.365   7.161   5.850
  133    HB3  GLU  16           HB1      GLU  16   2.611   8.112   7.303
  134    HG2  GLU  16           HG2      GLU  16   3.285  10.023   5.892
  135    HG3  GLU  16           HG1      GLU  16   2.931   9.049   4.466
  136    H    SER  17           HN       SER  17   4.064   5.039   5.957
  137    HA   SER  17           HA       SER  17   4.147   4.405   8.739
  138    HB2  SER  17           HB2      SER  17   3.887   1.996   7.967
  139    HB3  SER  17           HB1      SER  17   2.585   3.095   7.534
  140    HG   SER  17           HG       SER  17   3.487   3.243   5.450
  141    H    ALA  18           HN       ALA  18   6.539   4.701   6.394
  142    HA   ALA  18           HA       ALA  18   8.374   2.854   7.624
  143    HB1  ALA  18           HB1      ALA  18   8.571   3.346   5.222
  144    HB2  ALA  18           HB2      ALA  18  10.041   3.805   6.085
  145    HB3  ALA  18           HB3      ALA  18   8.883   5.043   5.595
  146    H    GLY  19           HN       GLY  19   8.195   6.366   7.248
  147    HA2  GLY  19           HA2      GLY  19   8.950   8.076   8.585
  148    HA3  GLY  19           HA1      GLY  19   8.778   6.955   9.940
  149    H    GLU  20           HN       GLU  20  10.876   7.204   7.113
  150    HA   GLU  20           HA       GLU  20  13.103   7.236   8.961
  151    HB2  GLU  20           HB2      GLU  20  14.424   5.930   7.279
  152    HB3  GLU  20           HB1      GLU  20  13.158   5.036   8.096
  153    HG2  GLU  20           HG2      GLU  20  11.737   5.272   6.105
  154    HG3  GLU  20           HG1      GLU  20  13.053   6.130   5.294
  155    H    THR  21           HN       THR  21  15.073   8.096   7.938
  156    HA   THR  21           HA       THR  21  14.293  10.673   6.907
  157    HB   THR  21           HB       THR  21  17.089   9.855   7.510
  158    HG1  THR  21           HG1      THR  21  16.582   9.507   9.548
  159   HG21  THR  21          HG21      THR  21  17.178  12.147   8.440
  160   HG22  THR  21          HG22      THR  21  15.465  12.356   8.070
  161   HG23  THR  21          HG23      THR  21  16.632  12.156   6.763
  162    H    ASP  22           HN       ASP  22  14.203   8.434   5.041
  163    HA   ASP  22           HA       ASP  22  15.799   9.673   2.966
  164    HB2  ASP  22           HB2      ASP  22  17.243   7.827   3.756
  165    HB3  ASP  22           HB1      ASP  22  15.939   6.684   3.448
  166    H    GLY  23           HN       GLY  23  14.803   9.722   1.081
  167    HA2  GLY  23           HA2      GLY  23  12.161   8.523   0.967
  168    HA3  GLY  23           HA1      GLY  23  12.796   9.767  -0.120
  169    H    THR  24           HN       THR  24  12.788   6.416   0.673
  170    HA   THR  24           HA       THR  24  14.684   5.567  -1.173
  171    HB   THR  24           HB       THR  24  14.182   4.142   0.667
  172    HG1  THR  24           HG1      THR  24  14.731   3.009  -1.207
  173   HG21  THR  24          HG21      THR  24  11.911   4.751   1.141
  174   HG22  THR  24          HG22      THR  24  11.995   2.995   0.960
  175   HG23  THR  24          HG23      THR  24  11.353   3.995  -0.345
  176    H    ASP  25           HN       ASP  25  13.777   3.628  -2.867
  177    HA   ASP  25           HA       ASP  25  12.820   5.373  -4.951
  178    HB2  ASP  25           HB2      ASP  25  13.816   2.532  -5.121
  179    HB3  ASP  25           HB1      ASP  25  13.188   3.408  -6.508
  180    H    LEU  26           HN       LEU  26  10.825   5.703  -4.164
  181    HA   LEU  26           HA       LEU  26   8.836   3.732  -5.114
  182    HB2  LEU  26           HB2      LEU  26   8.830   5.626  -2.789
  183    HB3  LEU  26           HB1      LEU  26   7.320   5.262  -3.583
  184    HG   LEU  26           HG       LEU  26   7.498   2.922  -2.940
  185   HD11  LEU  26          HD11      LEU  26   9.280   2.170  -1.407
  186   HD12  LEU  26          HD12      LEU  26  10.135   3.691  -1.748
  187   HD13  LEU  26          HD13      LEU  26   9.841   2.535  -3.038
  188   HD21  LEU  26          HD21      LEU  26   7.316   3.187  -0.528
  189   HD22  LEU  26          HD22      LEU  26   6.462   4.460  -1.396
  190   HD23  LEU  26          HD23      LEU  26   8.025   4.795  -0.652
  191    H    SER  27           HN       SER  27  10.491   6.177  -6.068
  192    HA   SER  27           HA       SER  27   8.697   8.183  -6.753
  193    HB2  SER  27           HB2      SER  27  11.275   7.389  -8.101
  194    HB3  SER  27           HB1      SER  27  10.528   8.988  -8.093
  195    HG   SER  27           HG       SER  27  11.782   9.276  -6.474
  196    H    GLY  28           HN       GLY  28   7.536   8.482  -8.600
  197    HA2  GLY  28           HA2      GLY  28   6.418   7.961 -10.557
  198    HA3  GLY  28           HA1      GLY  28   7.725   6.832 -10.925
  199    H    ASP  29           HN       ASP  29   6.985   4.896 -11.186
  200    HA   ASP  29           HA       ASP  29   4.889   3.988  -9.368
  201    HB2  ASP  29           HB2      ASP  29   4.055   2.438 -11.071
  202    HB3  ASP  29           HB1      ASP  29   4.020   4.071 -11.694
  203    H    PHE  30           HN       PHE  30   5.459   2.510  -8.044
  204    HA   PHE  30           HA       PHE  30   7.878   0.986  -8.658
  205    HB2  PHE  30           HB2      PHE  30   8.379   0.906  -6.257
  206    HB3  PHE  30           HB1      PHE  30   8.194   2.570  -6.775
  207    HD1  PHE  30           HD1      PHE  30   5.895   3.662  -6.330
  208    HD2  PHE  30           HD2      PHE  30   7.221   0.112  -4.379
  209    HE1  PHE  30           HE1      PHE  30   4.274   4.063  -4.535
  210    HE2  PHE  30           HE2      PHE  30   5.606   0.511  -2.563
  211    HZ   PHE  30           HZ       PHE  30   4.152   2.392  -2.597
  212    H    LEU  31           HN       LEU  31   5.046   0.501  -9.200
  213    HA   LEU  31           HA       LEU  31   3.797  -1.323  -7.539
  214    HB2  LEU  31           HB2      LEU  31   3.570  -1.037 -10.513
  215    HB3  LEU  31           HB1      LEU  31   2.540  -2.072  -9.552
  216    HG   LEU  31           HG       LEU  31   2.696   0.942  -9.409
  217   HD11  LEU  31          HD11      LEU  31   0.532  -0.969 -10.202
  218   HD12  LEU  31          HD12      LEU  31   1.477   0.026 -11.322
  219   HD13  LEU  31          HD13      LEU  31   0.382   0.786 -10.150
  220   HD21  LEU  31          HD21      LEU  31   0.887   0.768  -7.781
  221   HD22  LEU  31          HD22      LEU  31   2.354  -0.032  -7.189
  222   HD23  LEU  31          HD23      LEU  31   1.024  -0.990  -7.847
  223    H    ASP  32           HN       ASP  32   6.318  -1.977  -9.874
  224    HA   ASP  32           HA       ASP  32   5.866  -4.850  -9.525
  225    HB2  ASP  32           HB2      ASP  32   7.353  -5.253 -11.343
  226    HB3  ASP  32           HB1      ASP  32   6.317  -3.917 -11.811
  227    H    LEU  33           HN       LEU  33   7.489  -2.582  -7.873
  228    HA   LEU  33           HA       LEU  33   9.831  -4.153  -7.244
  229    HB2  LEU  33           HB2      LEU  33   8.765  -1.539  -6.187
  230    HB3  LEU  33           HB1      LEU  33  10.063  -2.385  -5.377
  231    HG   LEU  33           HG       LEU  33  11.464  -2.149  -7.408
  232   HD11  LEU  33          HD11      LEU  33   9.195  -0.492  -8.449
  233   HD12  LEU  33          HD12      LEU  33   9.738  -2.035  -9.107
  234   HD13  LEU  33          HD13      LEU  33  10.792  -0.619  -9.181
  235   HD21  LEU  33          HD21      LEU  33  11.620  -0.522  -5.627
  236   HD22  LEU  33          HD22      LEU  33  10.320   0.425  -6.358
  237   HD23  LEU  33          HD23      LEU  33  11.860   0.243  -7.197
  238    H    ARG  34           HN       ARG  34   9.991  -5.535  -5.669
  239    HA   ARG  34           HA       ARG  34   7.578  -6.406  -4.396
  240    HB2  ARG  34           HB2      ARG  34  10.459  -7.293  -4.032
  241    HB3  ARG  34           HB1      ARG  34   9.082  -8.064  -3.274
  242    HG2  ARG  34           HG2      ARG  34   9.804  -9.393  -5.158
  243    HG3  ARG  34           HG1      ARG  34   8.236  -8.687  -5.510
  244    HD2  ARG  34           HD2      ARG  34   9.818  -8.643  -7.430
  245    HD3  ARG  34           HD1      ARG  34   9.224  -7.052  -6.958
  246    HE   ARG  34           HE       ARG  34  11.752  -7.842  -5.783
  247   HH11  ARG  34          HH11      ARG  34  10.165  -6.116  -8.486
  248   HH12  ARG  34          HH12      ARG  34  11.533  -5.200  -8.876
  249   HH21  ARG  34          HH21      ARG  34  13.624  -6.444  -6.274
  250   HH22  ARG  34          HH22      ARG  34  13.518  -5.370  -7.567
  251    H    PHE  35           HN       PHE  35   7.059  -6.193  -2.216
  252    HA   PHE  35           HA       PHE  35   7.989  -3.865  -0.938
  253    HB2  PHE  35           HB2      PHE  35   6.605  -6.201   0.429
  254    HB3  PHE  35           HB1      PHE  35   6.818  -4.563   1.044
  255    HD1  PHE  35           HD1      PHE  35   5.791  -2.674  -0.261
  256    HD2  PHE  35           HD2      PHE  35   4.681  -6.740  -0.742
  257    HE1  PHE  35           HE1      PHE  35   3.676  -1.969  -1.259
  258    HE2  PHE  35           HE2      PHE  35   2.547  -6.039  -1.748
  259    HZ   PHE  35           HZ       PHE  35   1.979  -3.753  -1.918
  260    H    GLU  36           HN       GLU  36   8.796  -7.238  -0.499
  261    HA   GLU  36           HA       GLU  36  10.578  -7.017   1.627
  262    HB2  GLU  36           HB2      GLU  36  10.560  -8.926  -0.691
  263    HB3  GLU  36           HB1      GLU  36  11.600  -9.104   0.719
  264    HG2  GLU  36           HG2      GLU  36   9.722  -9.335   2.158
  265    HG3  GLU  36           HG1      GLU  36   8.609  -8.938   0.853
  266    H    ASP  37           HN       ASP  37  11.004  -6.097  -1.681
  267    HA   ASP  37           HA       ASP  37  13.902  -6.000  -1.572
  268    HB2  ASP  37           HB2      ASP  37  12.665  -6.397  -3.724
  269    HB3  ASP  37           HB1      ASP  37  12.015  -4.767  -3.612
  270    H    ILE  38           HN       ILE  38  11.161  -3.856  -1.179
  271    HA   ILE  38           HA       ILE  38  12.958  -1.600  -0.892
  272    HB   ILE  38           HB       ILE  38  10.988  -0.148  -0.797
  273   HG12  ILE  38          HG12      ILE  38   9.320  -2.679  -0.967
  274   HG13  ILE  38          HG11      ILE  38   9.495  -1.688   0.475
  275   HG21  ILE  38          HG21      ILE  38  10.754  -2.197  -3.009
  276   HG22  ILE  38          HG22      ILE  38  11.795  -0.776  -3.005
  277   HG23  ILE  38          HG23      ILE  38  10.043  -0.585  -3.021
  278   HD11  ILE  38          HD11      ILE  38   8.235  -0.830  -2.124
  279   HD12  ILE  38          HD12      ILE  38   8.404   0.174  -0.683
  280   HD13  ILE  38          HD13      ILE  38   7.380  -1.261  -0.642
  281    H    GLY  39           HN       GLY  39  12.569  -3.909   1.013
  282    HA2  GLY  39           HA2      GLY  39  13.067  -4.148   3.249
  283    HA3  GLY  39           HA1      GLY  39  13.092  -2.398   3.382
  284    H    TYR  40           HN       TYR  40  10.325  -4.253   2.244
  285    HA   TYR  40           HA       TYR  40   8.988  -3.531   4.723
  286    HB2  TYR  40           HB2      TYR  40   8.172  -3.067   1.965
  287    HB3  TYR  40           HB1      TYR  40   6.924  -3.808   2.967
  288    HD1  TYR  40           HD1      TYR  40   6.071  -2.703   4.904
  289    HD2  TYR  40           HD2      TYR  40   8.938  -0.815   2.404
  290    HE1  TYR  40           HE1      TYR  40   5.582  -0.574   5.978
  291    HE2  TYR  40           HE2      TYR  40   8.451   1.341   3.470
  292    HH   TYR  40           HH       TYR  40   6.629   2.398   4.778
  293    H    ASP  41           HN       ASP  41   8.801  -5.185   5.902
  294    HA   ASP  41           HA       ASP  41   8.198  -7.797   4.808
  295    HB2  ASP  41           HB2      ASP  41   8.291  -6.858   7.679
  296    HB3  ASP  41           HB1      ASP  41   8.125  -8.514   7.158
  297    H    SER  42           HN       SER  42   6.258  -8.819   5.154
  298    HA   SER  42           HA       SER  42   4.000  -7.402   4.732
  299    HB2  SER  42           HB2      SER  42   2.881  -9.583   5.282
  300    HB3  SER  42           HB1      SER  42   4.207  -9.584   4.102
  301    HG   SER  42           HG       SER  42   4.122 -11.193   5.997
  302    H    LEU  43           HN       LEU  43   5.324  -8.265   7.873
  303    HA   LEU  43           HA       LEU  43   3.056  -7.703   9.448
  304    HB2  LEU  43           HB2      LEU  43   5.264  -8.819  10.138
  305    HB3  LEU  43           HB1      LEU  43   5.951  -7.220  10.208
  306    HG   LEU  43           HG       LEU  43   3.688  -8.188  11.981
  307   HD11  LEU  43          HD11      LEU  43   5.384  -8.332  13.735
  308   HD12  LEU  43          HD12      LEU  43   6.632  -7.928  12.559
  309   HD13  LEU  43          HD13      LEU  43   5.724  -9.434  12.400
  310   HD21  LEU  43          HD21      LEU  43   4.221  -6.231  13.367
  311   HD22  LEU  43          HD22      LEU  43   3.749  -5.735  11.742
  312   HD23  LEU  43          HD23      LEU  43   5.452  -5.733  12.203
  313    H    ALA  44           HN       ALA  44   5.841  -5.656   8.583
  314    HA   ALA  44           HA       ALA  44   4.826  -3.251   9.654
  315    HB1  ALA  44           HB1      ALA  44   6.839  -3.635   7.431
  316    HB2  ALA  44           HB2      ALA  44   7.210  -3.580   9.154
  317    HB3  ALA  44           HB3      ALA  44   6.578  -2.148   8.341
  318    H    LEU  45           HN       LEU  45   4.549  -4.795   6.566
  319    HA   LEU  45           HA       LEU  45   3.414  -2.744   5.050
  320    HB2  LEU  45           HB2      LEU  45   4.328  -4.786   4.113
  321    HB3  LEU  45           HB1      LEU  45   3.068  -5.727   4.875
  322    HG   LEU  45           HG       LEU  45   1.399  -4.660   3.420
  323   HD11  LEU  45          HD11      LEU  45   2.529  -2.530   3.070
  324   HD12  LEU  45          HD12      LEU  45   2.143  -3.308   1.530
  325   HD13  LEU  45          HD13      LEU  45   3.795  -3.349   2.153
  326   HD21  LEU  45          HD21      LEU  45   2.105  -5.765   1.358
  327   HD22  LEU  45          HD22      LEU  45   2.441  -6.757   2.774
  328   HD23  LEU  45          HD23      LEU  45   3.748  -5.877   1.983
  329    H    MET  46           HN       MET  46   1.876  -5.115   7.202
  330    HA   MET  46           HA       MET  46  -0.786  -4.419   6.542
  331    HB2  MET  46           HB2      MET  46   0.182  -5.488   9.211
  332    HB3  MET  46           HB1      MET  46  -1.484  -5.386   8.627
  333    HG2  MET  46           HG2      MET  46  -1.040  -6.993   6.902
  334    HG3  MET  46           HG1      MET  46   0.666  -7.046   7.340
  335    HE1  MET  46           HE1      MET  46   1.546  -8.009   9.701
  336    HE2  MET  46           HE2      MET  46   0.477  -8.687  10.927
  337    HE3  MET  46           HE3      MET  46   0.417  -6.962  10.561
  338    H    GLU  47           HN       GLU  47   1.528  -2.998   8.723
  339    HA   GLU  47           HA       GLU  47  -0.240  -1.265  10.115
  340    HB2  GLU  47           HB2      GLU  47   2.096  -1.912  10.818
  341    HB3  GLU  47           HB1      GLU  47   2.704  -0.878   9.538
  342    HG2  GLU  47           HG2      GLU  47   2.832   0.208  11.701
  343    HG3  GLU  47           HG1      GLU  47   1.723   1.061  10.625
  344    H    THR  48           HN       THR  48   1.376  -1.145   7.116
  345    HA   THR  48           HA       THR  48   1.162   1.614   6.425
  346    HB   THR  48           HB       THR  48   1.309  -0.839   4.642
  347    HG1  THR  48           HG1      THR  48   3.411   0.777   5.701
  348   HG21  THR  48          HG21      THR  48   2.082   2.036   4.103
  349   HG22  THR  48          HG22      THR  48   0.665   1.213   3.455
  350   HG23  THR  48          HG23      THR  48   2.279   0.686   2.986
  351    H    ALA  49           HN       ALA  49  -0.495  -1.317   5.442
  352    HA   ALA  49           HA       ALA  49  -2.673  -0.273   4.067
  353    HB1  ALA  49           HB1      ALA  49  -2.464  -2.795   5.714
  354    HB2  ALA  49           HB2      ALA  49  -2.007  -2.632   4.020
  355    HB3  ALA  49           HB3      ALA  49  -3.695  -2.474   4.497
  356    H    ALA  50           HN       ALA  50  -2.184  -0.917   7.495
  357    HA   ALA  50           HA       ALA  50  -4.676  -0.564   8.359
  358    HB1  ALA  50           HB1      ALA  50  -2.928  -1.405   9.795
  359    HB2  ALA  50           HB2      ALA  50  -3.789  -0.079  10.584
  360    HB3  ALA  50           HB3      ALA  50  -2.200   0.204   9.871
  361    H    ARG  51           HN       ARG  51  -2.204   1.886   7.840
  362    HA   ARG  51           HA       ARG  51  -3.636   4.127   8.833
  363    HB2  ARG  51           HB2      ARG  51  -1.446   4.106   6.735
  364    HB3  ARG  51           HB1      ARG  51  -1.982   5.506   7.654
  365    HG2  ARG  51           HG2      ARG  51  -1.239   4.398   9.722
  366    HG3  ARG  51           HG1      ARG  51  -0.646   3.051   8.760
  367    HD2  ARG  51           HD2      ARG  51   1.213   4.437   9.270
  368    HD3  ARG  51           HD1      ARG  51   0.837   4.676   7.569
  369    HE   ARG  51           HE       ARG  51  -0.459   6.712   8.507
  370   HH11  ARG  51          HH11      ARG  51   2.549   5.476   9.966
  371   HH12  ARG  51          HH12      ARG  51   3.136   7.010  10.376
  372   HH21  ARG  51          HH21      ARG  51   0.418   8.889   9.103
  373   HH22  ARG  51          HH22      ARG  51   1.955   8.946   9.824
  374    H    LEU  52           HN       LEU  52  -3.375   2.618   5.701
  375    HA   LEU  52           HA       LEU  52  -4.843   4.482   4.198
  376    HB2  LEU  52           HB2      LEU  52  -4.281   1.553   3.878
  377    HB3  LEU  52           HB1      LEU  52  -5.149   2.455   2.662
  378    HG   LEU  52           HG       LEU  52  -2.351   3.123   3.582
  379   HD11  LEU  52          HD11      LEU  52  -2.396   0.942   2.490
  380   HD12  LEU  52          HD12      LEU  52  -1.620   2.150   1.468
  381   HD13  LEU  52          HD13      LEU  52  -3.276   1.640   1.130
  382   HD21  LEU  52          HD21      LEU  52  -2.310   4.508   1.575
  383   HD22  LEU  52          HD22      LEU  52  -3.606   5.012   2.661
  384   HD23  LEU  52          HD23      LEU  52  -3.979   4.062   1.224
  385    H    GLU  53           HN       GLU  53  -5.782   1.494   5.847
  386    HA   GLU  53           HA       GLU  53  -8.510   1.458   5.310
  387    HB2  GLU  53           HB2      GLU  53  -7.100   0.660   7.862
  388    HB3  GLU  53           HB1      GLU  53  -8.746   0.227   7.444
  389    HG2  GLU  53           HG2      GLU  53  -7.913  -1.048   5.539
  390    HG3  GLU  53           HG1      GLU  53  -6.263  -0.610   5.979
  391    H    SER  54           HN       SER  54  -6.756   2.963   7.957
  392    HA   SER  54           HA       SER  54  -8.955   4.011   9.341
  393    HB2  SER  54           HB2      SER  54  -6.647   3.684  10.256
  394    HB3  SER  54           HB1      SER  54  -6.104   5.052   9.294
  395    HG   SER  54           HG       SER  54  -7.590   6.375  10.529
  396    H    ARG  55           HN       ARG  55  -6.693   5.615   7.096
  397    HA   ARG  55           HA       ARG  55  -7.911   8.140   7.250
  398    HB2  ARG  55           HB2      ARG  55  -5.600   7.898   6.598
  399    HB3  ARG  55           HB1      ARG  55  -6.063   7.001   5.162
  400    HG2  ARG  55           HG2      ARG  55  -7.108   8.994   4.231
  401    HG3  ARG  55           HG1      ARG  55  -6.724   9.896   5.699
  402    HD2  ARG  55           HD2      ARG  55  -4.707   8.631   3.844
  403    HD3  ARG  55           HD1      ARG  55  -5.127  10.344   3.876
  404    HE   ARG  55           HE       ARG  55  -4.437   9.851   6.421
  405   HH11  ARG  55          HH11      ARG  55  -2.687   9.325   3.350
  406   HH12  ARG  55          HH12      ARG  55  -1.147   9.393   4.140
  407   HH21  ARG  55          HH21      ARG  55  -2.298  10.041   7.344
  408   HH22  ARG  55          HH22      ARG  55  -0.927   9.850   6.347
  409    H    TYR  56           HN       TYR  56  -8.479   5.470   4.992
  410    HA   TYR  56           HA       TYR  56 -10.168   7.293   3.489
  411    HB2  TYR  56           HB2      TYR  56  -9.032   4.627   2.678
  412    HB3  TYR  56           HB1      TYR  56 -10.130   5.586   1.679
  413    HD1  TYR  56           HD1      TYR  56  -9.420   7.758   0.789
  414    HD2  TYR  56           HD2      TYR  56  -6.728   5.290   2.960
  415    HE1  TYR  56           HE1      TYR  56  -7.543   9.120  -0.008
  416    HE2  TYR  56           HE2      TYR  56  -4.839   6.643   2.168
  417    HH   TYR  56           HH       TYR  56  -5.304   9.653   0.651
  418    H    GLY  57           HN       GLY  57 -10.621   4.988   5.839
  419    HA2  GLY  57           HA2      GLY  57 -12.622   4.289   6.752
  420    HA3  GLY  57           HA1      GLY  57 -13.462   5.174   5.488
  421    H    VAL  58           HN       VAL  58 -11.177   2.504   5.470
  422    HA   VAL  58           HA       VAL  58 -13.176   0.765   4.293
  423    HB   VAL  58           HB       VAL  58 -11.937   1.950   2.423
  424   HG11  VAL  58          HG11      VAL  58  -9.646   1.289   1.871
  425   HG12  VAL  58          HG12      VAL  58  -9.538   0.459   3.425
  426   HG13  VAL  58          HG13      VAL  58  -9.778   2.205   3.374
  427   HG21  VAL  58          HG21      VAL  58 -11.488  -0.058   1.054
  428   HG22  VAL  58          HG22      VAL  58 -13.001  -0.184   1.952
  429   HG23  VAL  58          HG23      VAL  58 -11.569  -1.046   2.512
  430    H    SER  59           HN       SER  59 -12.005  -1.590   4.167
  431    HA   SER  59           HA       SER  59  -9.859  -1.675   6.092
  432    HB2  SER  59           HB2      SER  59 -12.036  -2.038   7.337
  433    HB3  SER  59           HB1      SER  59 -12.259  -3.506   6.383
  434    HG   SER  59           HG       SER  59  -9.829  -3.113   7.705
  435    H    ILE  60           HN       ILE  60  -8.485  -3.278   5.817
  436    HA   ILE  60           HA       ILE  60  -8.685  -4.839   3.318
  437    HB   ILE  60           HB       ILE  60  -6.231  -3.786   4.764
  438   HG12  ILE  60          HG12      ILE  60  -7.376  -2.839   2.128
  439   HG13  ILE  60          HG11      ILE  60  -7.624  -2.013   3.664
  440   HG21  ILE  60          HG21      ILE  60  -5.772  -5.854   3.569
  441   HG22  ILE  60          HG22      ILE  60  -4.992  -4.492   2.764
  442   HG23  ILE  60          HG23      ILE  60  -6.470  -5.179   2.096
  443   HD11  ILE  60          HD11      ILE  60  -4.964  -2.502   2.347
  444   HD12  ILE  60          HD12      ILE  60  -5.234  -1.655   3.866
  445   HD13  ILE  60          HD13      ILE  60  -5.847  -0.974   2.355
  446    HA   PRO  61           HA       PRO  61  -8.418  -8.296   6.255
  447    HB2  PRO  61           HB2      PRO  61  -7.598  -9.816   3.846
  448    HB3  PRO  61           HB1      PRO  61  -8.944 -10.119   4.950
  449    HG2  PRO  61           HG2      PRO  61  -9.352  -9.186   2.471
  450    HG3  PRO  61           HG1      PRO  61 -10.361  -8.681   3.837
  451    HD2  PRO  61           HD2      PRO  61  -8.142  -7.218   2.471
  452    HD3  PRO  61           HD1      PRO  61  -9.675  -6.597   3.118
  453    H    ASP  62           HN       ASP  62  -6.670  -8.272   7.463
  454    HA   ASP  62           HA       ASP  62  -4.109  -7.529   6.652
  455    HB2  ASP  62           HB2      ASP  62  -3.281  -8.082   8.858
  456    HB3  ASP  62           HB1      ASP  62  -4.854  -7.323   9.000
  457    H    ASP  63           HN       ASP  63  -5.500 -10.693   6.696
  458    HA   ASP  63           HA       ASP  63  -3.041 -12.130   6.458
  459    HB2  ASP  63           HB2      ASP  63  -5.846 -12.909   5.613
  460    HB3  ASP  63           HB1      ASP  63  -4.466 -13.983   5.452
  461    H    VAL  64           HN       VAL  64  -5.277 -10.737   4.162
  462    HA   VAL  64           HA       VAL  64  -3.842 -11.704   1.854
  463    HB   VAL  64           HB       VAL  64  -5.930  -9.496   1.991
  464   HG11  VAL  64          HG11      VAL  64  -4.638  -9.456  -0.074
  465   HG12  VAL  64          HG12      VAL  64  -6.290  -9.981  -0.389
  466   HG13  VAL  64          HG13      VAL  64  -4.984 -11.165  -0.340
  467   HG21  VAL  64          HG21      VAL  64  -6.843 -11.566   2.884
  468   HG22  VAL  64          HG22      VAL  64  -6.299 -12.442   1.453
  469   HG23  VAL  64          HG23      VAL  64  -7.555 -11.212   1.307
  470    H    ALA  65           HN       ALA  65  -3.966  -8.794   3.764
  471    HA   ALA  65           HA       ALA  65  -2.355  -7.126   2.206
  472    HB1  ALA  65           HB1      ALA  65  -3.623  -6.338   4.157
  473    HB2  ALA  65           HB2      ALA  65  -1.924  -5.877   4.265
  474    HB3  ALA  65           HB3      ALA  65  -2.534  -7.229   5.221
  475    H    GLY  66           HN       GLY  66  -1.525  -9.819   4.235
  476    HA2  GLY  66           HA2      GLY  66   1.316  -9.205   4.081
  477    HA3  GLY  66           HA1      GLY  66   0.586 -10.558   4.930
  478    H    ARG  67           HN       ARG  67  -0.854 -10.597   2.005
  479    HA   ARG  67           HA       ARG  67   1.022 -12.641   1.040
  480    HB2  ARG  67           HB2      ARG  67  -1.332 -13.339   1.471
  481    HB3  ARG  67           HB1      ARG  67  -1.870 -12.197   0.246
  482    HG2  ARG  67           HG2      ARG  67  -0.512 -13.430  -1.424
  483    HG3  ARG  67           HG1      ARG  67  -0.133 -14.617  -0.179
  484    HD2  ARG  67           HD2      ARG  67  -2.521 -15.119   0.048
  485    HD3  ARG  67           HD1      ARG  67  -2.882 -13.940  -1.216
  486    HE   ARG  67           HE       ARG  67  -0.985 -15.711  -2.199
  487   HH11  ARG  67          HH11      ARG  67  -4.471 -15.585  -1.514
  488   HH12  ARG  67          HH12      ARG  67  -4.817 -17.014  -2.380
  489   HH21  ARG  67          HH21      ARG  67  -1.502 -17.690  -3.371
  490   HH22  ARG  67          HH22      ARG  67  -3.103 -18.259  -3.389
  491    H    VAL  68           HN       VAL  68  -0.009  -9.496   0.368
  492    HA   VAL  68           HA       VAL  68   0.339  -9.643  -2.473
  493    HB   VAL  68           HB       VAL  68   0.182  -7.114  -2.393
  494   HG11  VAL  68          HG11      VAL  68  -1.808  -8.484  -2.708
  495   HG12  VAL  68          HG12      VAL  68  -2.184  -7.060  -1.738
  496   HG13  VAL  68          HG13      VAL  68  -2.002  -8.633  -0.961
  497   HG21  VAL  68          HG21      VAL  68  -0.487  -6.048  -0.291
  498   HG22  VAL  68          HG22      VAL  68   1.113  -6.784  -0.139
  499   HG23  VAL  68          HG23      VAL  68  -0.299  -7.588   0.549
  500    H    ASP  69           HN       ASP  69   2.140  -9.496  -3.588
  501    HA   ASP  69           HA       ASP  69   4.641  -9.203  -2.082
  502    HB2  ASP  69           HB2      ASP  69   4.375 -11.198  -3.490
  503    HB3  ASP  69           HB1      ASP  69   4.125 -10.170  -4.889
  504    H    THR  70           HN       THR  70   2.857  -7.685  -4.607
  505    HA   THR  70           HA       THR  70   4.942  -5.651  -4.702
  506    HB   THR  70           HB       THR  70   4.263  -5.305  -7.095
  507    HG1  THR  70           HG1      THR  70   3.219  -7.900  -7.131
  508   HG21  THR  70          HG21      THR  70   5.363  -8.022  -6.362
  509   HG22  THR  70          HG22      THR  70   6.305  -6.545  -6.580
  510   HG23  THR  70          HG23      THR  70   5.485  -7.288  -7.963
  511    HA   PRO  71           HA       PRO  71   1.806  -2.626  -3.720
  512    HB2  PRO  71           HB2      PRO  71   3.019  -1.064  -5.941
  513    HB3  PRO  71           HB1      PRO  71   2.722  -0.593  -4.260
  514    HG2  PRO  71           HG2      PRO  71   5.174  -1.154  -5.053
  515    HG3  PRO  71           HG1      PRO  71   4.587  -1.724  -3.476
  516    HD2  PRO  71           HD2      PRO  71   4.903  -3.227  -6.036
  517    HD3  PRO  71           HD1      PRO  71   5.279  -3.734  -4.376
  518    H    ARG  72           HN       ARG  72   2.419  -3.621  -6.963
  519    HA   ARG  72           HA       ARG  72   0.208  -2.753  -8.370
  520    HB2  ARG  72           HB2      ARG  72   2.072  -4.053  -9.291
  521    HB3  ARG  72           HB1      ARG  72   1.532  -5.463  -8.398
  522    HG2  ARG  72           HG2      ARG  72  -0.608  -5.329  -9.704
  523    HG3  ARG  72           HG1      ARG  72   0.190  -4.110 -10.707
  524    HD2  ARG  72           HD2      ARG  72   1.134  -6.935 -10.243
  525    HD3  ARG  72           HD1      ARG  72   0.353  -6.280 -11.699
  526    HE   ARG  72           HE       ARG  72   2.372  -4.777 -11.813
  527   HH11  ARG  72          HH11      ARG  72   2.630  -7.990 -10.266
  528   HH12  ARG  72          HH12      ARG  72   4.261  -8.194 -10.697
  529   HH21  ARG  72          HH21      ARG  72   4.539  -5.120 -12.456
  530   HH22  ARG  72          HH22      ARG  72   5.377  -6.549 -12.042
  531    H    GLU  73           HN       GLU  73   0.526  -5.799  -6.534
  532    HA   GLU  73           HA       GLU  73  -2.156  -6.635  -6.797
  533    HB2  GLU  73           HB2      GLU  73  -0.151  -7.356  -4.667
  534    HB3  GLU  73           HB1      GLU  73  -1.651  -8.202  -4.989
  535    HG2  GLU  73           HG2      GLU  73  -0.782  -8.760  -7.236
  536    HG3  GLU  73           HG1      GLU  73   0.753  -8.012  -6.773
  537    H    LEU  74           HN       LEU  74  -0.432  -4.874  -4.332
  538    HA   LEU  74           HA       LEU  74  -2.526  -4.881  -2.443
  539    HB2  LEU  74           HB2      LEU  74  -0.153  -4.624  -1.839
  540    HB3  LEU  74           HB1      LEU  74  -0.085  -3.100  -2.682
  541    HG   LEU  74           HG       LEU  74  -0.131  -3.019  -0.128
  542   HD11  LEU  74          HD11      LEU  74  -0.476  -1.074  -1.448
  543   HD12  LEU  74          HD12      LEU  74  -1.521  -1.075  -0.028
  544   HD13  LEU  74          HD13      LEU  74  -2.185  -1.462  -1.613
  545   HD21  LEU  74          HD21      LEU  74  -2.321  -3.152   0.940
  546   HD22  LEU  74          HD22      LEU  74  -1.862  -4.707   0.240
  547   HD23  LEU  74          HD23      LEU  74  -3.038  -3.680  -0.582
  548    H    LEU  75           HN       LEU  75  -1.468  -2.433  -4.799
  549    HA   LEU  75           HA       LEU  75  -3.335  -0.437  -4.254
  550    HB2  LEU  75           HB2      LEU  75  -1.373  -0.237  -5.750
  551    HB3  LEU  75           HB1      LEU  75  -2.155  -1.255  -6.935
  552    HG   LEU  75           HG       LEU  75  -3.949   0.490  -7.119
  553   HD11  LEU  75          HD11      LEU  75  -3.464   2.713  -6.230
  554   HD12  LEU  75          HD12      LEU  75  -2.038   2.072  -5.414
  555   HD13  LEU  75          HD13      LEU  75  -3.646   1.519  -4.945
  556   HD21  LEU  75          HD21      LEU  75  -1.124   1.375  -7.697
  557   HD22  LEU  75          HD22      LEU  75  -2.580   2.039  -8.435
  558   HD23  LEU  75          HD23      LEU  75  -2.125   0.361  -8.735
  559    H    ASP  76           HN       ASP  76  -3.414  -3.060  -6.587
  560    HA   ASP  76           HA       ASP  76  -5.937  -2.840  -7.678
  561    HB2  ASP  76           HB2      ASP  76  -4.340  -4.353  -8.593
  562    HB3  ASP  76           HB1      ASP  76  -4.194  -5.225  -7.080
  563    H    LEU  77           HN       LEU  77  -4.967  -4.545  -4.754
  564    HA   LEU  77           HA       LEU  77  -7.433  -5.685  -4.041
  565    HB2  LEU  77           HB2      LEU  77  -5.324  -6.413  -3.093
  566    HB3  LEU  77           HB1      LEU  77  -5.081  -4.851  -2.346
  567    HG   LEU  77           HG       LEU  77  -7.047  -5.286  -0.892
  568   HD11  LEU  77          HD11      LEU  77  -6.961  -8.034  -2.125
  569   HD12  LEU  77          HD12      LEU  77  -8.247  -6.845  -2.319
  570   HD13  LEU  77          HD13      LEU  77  -7.933  -7.554  -0.734
  571   HD21  LEU  77          HD21      LEU  77  -4.784  -5.738  -0.116
  572   HD22  LEU  77          HD22      LEU  77  -4.861  -7.361  -0.800
  573   HD23  LEU  77          HD23      LEU  77  -5.918  -6.917   0.543
  574    H    ILE  78           HN       ILE  78  -5.875  -2.688  -2.927
  575    HA   ILE  78           HA       ILE  78  -8.019  -1.921  -1.241
  576    HB   ILE  78           HB       ILE  78  -5.910  -0.116  -2.478
  577   HG12  ILE  78          HG12      ILE  78  -5.935  -1.572   0.170
  578   HG13  ILE  78          HG11      ILE  78  -4.966  -2.018  -1.226
  579   HG21  ILE  78          HG21      ILE  78  -7.828   1.111  -1.547
  580   HG22  ILE  78          HG22      ILE  78  -6.384   1.352  -0.560
  581   HG23  ILE  78          HG23      ILE  78  -7.646   0.242  -0.021
  582   HD11  ILE  78          HD11      ILE  78  -3.610  -0.854   0.359
  583   HD12  ILE  78          HD12      ILE  78  -4.739   0.501   0.396
  584   HD13  ILE  78          HD13      ILE  78  -3.820   0.152  -1.068
  585    H    ASN  79           HN       ASN  79  -7.189  -1.171  -4.569
  586    HA   ASN  79           HA       ASN  79  -9.192   0.741  -5.110
  587    HB2  ASN  79           HB2      ASN  79  -7.747  -1.255  -6.849
  588    HB3  ASN  79           HB1      ASN  79  -9.040  -0.271  -7.510
  589   HD21  ASN  79          HD21      ASN  79  -6.868   1.043  -5.088
  590   HD22  ASN  79          HD22      ASN  79  -6.020   2.086  -6.183
  591    H    GLY  80           HN       GLY  80  -9.235  -2.781  -5.292
  592    HA2  GLY  80           HA2      GLY  80 -11.865  -3.053  -6.254
  593    HA3  GLY  80           HA1      GLY  80 -10.955  -4.278  -5.378
  594    H    ALA  81           HN       ALA  81 -10.556  -2.972  -2.987
  595    HA   ALA  81           HA       ALA  81 -13.023  -3.454  -1.682
  596    HB1  ALA  81           HB1      ALA  81 -10.856  -3.854  -0.599
  597    HB2  ALA  81           HB2      ALA  81 -11.862  -2.766   0.358
  598    HB3  ALA  81           HB3      ALA  81 -10.536  -2.119  -0.610
  599    H    LEU  82           HN       LEU  82 -11.315  -0.495  -2.602
  600    HA   LEU  82           HA       LEU  82 -13.079   1.319  -1.385
  601    HB2  LEU  82           HB2      LEU  82 -11.183   1.547  -3.695
  602    HB3  LEU  82           HB1      LEU  82 -12.118   2.915  -3.160
  603    HG   LEU  82           HG       LEU  82 -10.076   1.409  -1.513
  604   HD11  LEU  82          HD11      LEU  82  -9.997   4.156  -2.741
  605   HD12  LEU  82          HD12      LEU  82  -9.081   2.750  -3.286
  606   HD13  LEU  82          HD13      LEU  82  -8.757   3.453  -1.703
  607   HD21  LEU  82          HD21      LEU  82 -11.870   2.295  -0.120
  608   HD22  LEU  82          HD22      LEU  82 -11.677   3.884  -0.860
  609   HD23  LEU  82          HD23      LEU  82 -10.380   3.203   0.128
  610    H    ALA  83           HN       ALA  83 -13.072  -0.236  -4.532
  611    HA   ALA  83           HA       ALA  83 -15.261   1.153  -5.608
  612    HB1  ALA  83           HB1      ALA  83 -13.732  -0.196  -6.970
  613    HB2  ALA  83           HB2      ALA  83 -15.412  -0.678  -7.210
  614    HB3  ALA  83           HB3      ALA  83 -14.347  -1.663  -6.206
  615    H    GLU  84           HN       GLU  84 -15.039  -1.637  -3.495
  616    HA   GLU  84           HA       GLU  84 -17.831  -2.265  -3.607
  617    HB2  GLU  84           HB2      GLU  84 -15.805  -3.032  -1.510
  618    HB3  GLU  84           HB1      GLU  84 -17.407  -3.725  -1.695
  619    HG2  GLU  84           HG2      GLU  84 -16.706  -4.512  -3.951
  620    HG3  GLU  84           HG1      GLU  84 -15.069  -3.980  -3.552
  621    H    ALA  85           HN       ALA  85 -15.796  -0.265  -1.643
  622    HA   ALA  85           HA       ALA  85 -17.611   0.196   0.462
  623    HB1  ALA  85           HB1      ALA  85 -15.333   1.935  -0.484
  624    HB2  ALA  85           HB2      ALA  85 -15.200   0.607   0.669
  625    HB3  ALA  85           HB3      ALA  85 -16.143   2.042   1.079
  626    H    ALA  86           HN       ALA  86 -19.523   0.950   0.104
  627    HA   ALA  86           HA       ALA  86 -20.017   3.011  -1.872
  628    HB1  ALA  86           HB1      ALA  86 -21.919   1.457  -0.107
  629    HB2  ALA  86           HB2      ALA  86 -21.538   1.088  -1.786
  630    HB3  ALA  86           HB3      ALA  86 -22.388   2.580  -1.383