*HEADER    STRUCTURAL PROTEIN                      25-JAN-13   2M3T              
*TITLE     SOLUTION-STATE NMR STRUCTURE OF WILD-TYPE HUMAN GAMMA(S)-CRYSTALLIN   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BETA-CRYSTALLIN S;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: GAMMA-S-CRYSTALLIN, GAMMA-CRYSTALLIN S;                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 VARIANT: WILD-TYPE;                                                  
*SOURCE   6 GENE: CRYGS, GRYG8;                                                  
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: ROSETTA (DE3);                             
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET28(A)                                   
*KEYWDS    GAMMA-S, EYE LENS, AGGREGATION, CRYSTALLIN, CATARACT, CRYGS,          
*KEYWDS   2 STRUCTURAL PROTEIN                                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    21                                                                    
*AUTHOR    W.D.BRUBAKER, R.W.MARTIN                                              
*REVDAT   1   13-NOV-13 2M3T    0                                                


assi {0} ( resid 19 and name HD1) ( resid 19 and name HE)   3.0   2.5   3.5 peak
or {0} ( resid 19 and name HD2) ( resid 19 and name HE)

assi {1} ( resid 19 and name HG1) ( resid 19 and name HE)   3.0   2.5   3.5 peak 
or {1} ( resid 19 and name HG2) ( resid 19 and name HE)

assi {2} ( resid 19 and name HG1) ( resid 19 and name HE)   3.0   2.5   3.5 peak 
or {2} ( resid 19 and name HG2) ( resid 19 and name HE)

assi {3} ( resid 34 and name HB1) ( resid 19 and name HE) 3.0 1.3 4.09 peak  !1
or {3} ( resid 34 and name HB2) ( resid 19 and name HE)

assi {4} ( resid 9 and name HG21) ( resid 20 and name HE)   3.0   2.5   3.5 peak 
or {4} ( resid 9 and name HG22) ( resid 20 and name HE)
or {4} ( resid 9 and name HG23) ( resid 20 and name HE)

assi {5} ( resid 20 and name HB1) ( resid 20 and name HE)   3.0   2.5   3.5 peak 
or {5} ( resid 20 and name HB2) ( resid 20 and name HE)

assi {6} ( resid 20 and name HB1) ( resid 20 and name HE)   3.0   2.5   3.5 peak 
or {6} ( resid 20 and name HB2) ( resid 20 and name HE)

assi {7} ( resid 20 and name HD1) ( resid 20 and name HE)   3.0   2.5   3.5 peak 
or {7} ( resid 20 and name HD2) ( resid 20 and name HE)

assi {8} ( resid 20 and name HD1) ( resid 20 and name HE)   3.0   2.5   3.5 peak 
or {8} ( resid 20 and name HD2) ( resid 20 and name HE)

assi {9} ( resid 20 and name HG1) ( resid 20 and name HE)   3.0   2.5   3.5 peak 
or {9} ( resid 20 and name HG2) ( resid 20 and name HE)

assi {10} ( resid 20 and name HG1) ( resid 20 and name HE)   3.0   2.5   3.5 peak 
or {10} ( resid 20 and name HG2) ( resid 20 and name HE)

assi {11} ( resid 12 and name HB1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or {11} ( resid 12 and name HB2) ( resid 36 and name HE)

assi {12} ( resid 12 and name HB1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or {12} ( resid 12 and name HB2) ( resid 36 and name HE)

assi {13} ( resid 36 and name HB1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or {13} ( resid 36 and name HB2) ( resid 36 and name HE)

assi {14} ( resid 36 and name HB1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or {14} ( resid 36 and name HB2) ( resid 36 and name HE)

assi {15} ( resid 36 and name HD1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or {15} ( resid 36 and name HD2) ( resid 36 and name HE)

assi {16} ( resid 36 and name HG1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or {16} ( resid 36 and name HG2) ( resid 36 and name HE)

assi {17} ( resid 36 and name HG1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or{17}  ( resid 36 and name HG2) ( resid 36 and name HE)

assi {18} ( resid 38 and name HB1) ( resid 36 and name HE)   3.0   2.5   3.5 peak 
or {18} ( resid 38 and name HB2) ( resid 36 and name HE)

assi {19} ( resid 38 and name HD21) ( resid 36 and name HE)   3.0   2.5   3.5 peak 

assi {20} ( resid 38 and name HD22) ( resid 36 and name HE)   3.0   2.5   3.5 peak 

assi {21} ( resid 52 and name HN) ( resid 52 and name HE)   3.0   2.5   3.5 peak 

assi {22} ( resid 52 and name HB1) ( resid 52 and name HE)   3.0   2.5   3.5 peak 
or {22} ( resid 52 and name HB2) ( resid 52 and name HE)

assi {23} ( resid 52 and name HD1) ( resid 52 and name HE)   3.0   2.5   3.5 peak 
or {23} ( resid 52 and name HD2) ( resid 52 and name HE)

assi {24} ( resid 52 and name HD1) ( resid 52 and name HE)   3.0   2.5   3.5 peak 
or {24} ( resid 52 and name HD2) ( resid 52 and name HE)

assi {25} ( resid 52 and name HG1) ( resid 52 and name HE)   3.0   2.5   3.5 peak 
or {25} ( resid 52 and name HG2) ( resid 52 and name HE)

assi {26} ( resid 68 and name HD1) ( resid 72 and name HE)   3.0   2.5   3.5 peak 
or {26} ( resid 68 and name HD2) ( resid 72 and name HE)

assi {27} ( resid 68 and name HD1) ( resid 72 and name HE)   3.0   2.5   3.5 peak 
or {27} ( resid 68 and name HD2) ( resid 72 and name HE)

assi {28} ( resid 68 and name HG1) ( resid 72 and name HE) 3.0 1.3 4.01 peak  !1
or {28} ( resid 68 and name HG2) ( resid 72 and name HE)

assi {29} ( resid 69 and name HB1) ( resid 72 and name HE)   3.0   2.5   3.5 peak 
or {29} ( resid 69 and name HB2) ( resid 72 and name HE)

assi {30} ( resid 69 and name HG1) ( resid 72 and name HE) 3.0 1.3 4.71 peak  !2
or {30} ( resid 69 and name HG2) ( resid 72 and name HE)

assi {31} ( resid 72 and name HA) ( resid 72 and name HE)   3.0   2.5   3.5 peak 

assi {32} ( resid 72 and name HB1) ( resid 72 and name HE)   3.0   2.5   3.5 peak 
or {32} ( resid 72 and name HB2) ( resid 72 and name HE)

assi {33} ( resid 72 and name HB1) ( resid 72 and name HE)   3.0   2.5   3.5 peak 
or {33} ( resid 72 and name HB2) ( resid 72 and name HE)

assi {34} ( resid 72 and name HD1) ( resid 72 and name HE)   3.0   2.5   3.5 peak 
or {34} ( resid 72 and name HD2) ( resid 72 and name HE)

assi {35} ( resid 72 and name HG1) ( resid 72 and name HE)   3.0   2.5   3.5 peak 
or {35} ( resid 72 and name HG2) ( resid 72 and name HE)

assi {36} ( resid 51 and name HG1) ( resid 79 and name HE)   3.0   2.5   3.5 peak 
or {36} ( resid 51 and name HG2) ( resid 79 and name HE)

assi {37} ( resid 79 and name HD1) ( resid 79 and name HE)   3.0   2.5   3.5 peak 
or {37} ( resid 79 and name HD2) ( resid 79 and name HE)

assi {38} ( resid 79 and name HG1) ( resid 79 and name HE)   3.0   2.5   3.5 peak 
or {38} ( resid 79 and name HG2) ( resid 79 and name HE)

assi {39} ( resid 84 and name HB1) ( resid 84 and name HE)   3.0   2.5   3.5 peak 
or {39} ( resid 84 and name HB2) ( resid 84 and name HE)

assi {40} ( resid 84 and name HD1) ( resid 84 and name HE)   3.0   2.5   3.5 peak 
or {40} ( resid 84 and name HD2) ( resid 84 and name HE)

assi {41} ( resid 84 and name HG1) ( resid 84 and name HE)   3.0   2.5   3.5 peak 
or {41} ( resid 84 and name HG2) ( resid 84 and name HE)

assi {42} ( resid 125 and name HA) ( resid 125 and name HE)   3.0   2.5   3.5 peak 

assi {43} ( resid 125 and name HB1) ( resid 125 and name HE)   3.0   2.5   3.5 peak 
or {43} ( resid 125 and name HB2) ( resid 125 and name HE)

assi {44} ( resid 125 and name HB1) ( resid 125 and name HE)   3.0   2.5   3.5 peak 
or {44} ( resid 125 and name HB2) ( resid 125 and name HE)

assi {45} ( resid 125 and name HD1) ( resid 125 and name HE)   3.0   2.5   3.5 peak 
or {45} ( resid 125 and name HD2) ( resid 125 and name HE)

assi {46} ( resid 125 and name HG1) ( resid 125 and name HE)   3.0   2.5   3.5 peak 
or {46} ( resid 125 and name HG2) ( resid 125 and name HE)

assi {47} ( resid 142 and name HD11) ( resid 146 and name HE) 3.0 1.3 4.7 peak  !2
or {47} ( resid 142 and name HD12) ( resid 146 and name HE)
or {47} ( resid 142 and name HD13) ( resid 146 and name HE)
or {47} ( resid 142 and name HD21) ( resid 146 and name HE)
or {47} ( resid 142 and name HD22) ( resid 146 and name HE)
or {47} ( resid 142 and name HD23) ( resid 146 and name HE)

assi {48} ( resid 144 and name HB1) ( resid 146 and name HE)   3.0   2.5   3.5 peak 
or {48} ( resid 144 and name HB2) ( resid 146 and name HE)

assi {49} ( resid 145 and name HB1) ( resid 146 and name HE) 3.0 1.3 4.51 peak  !2
or {49} ( resid 145 and name HB2) ( resid 146 and name HE)

assi {50} ( resid 146 and name HB1) ( resid 146 and name HE)   3.0   2.5   3.5 peak 
or {50} ( resid 146 and name HB2) ( resid 146 and name HE)

assi {51} ( resid 146 and name HB1) ( resid 146 and name HE)   3.0   2.5   3.5 peak 
or {51} ( resid 146 and name HB2) ( resid 146 and name HE)

assi {52} ( resid 146 and name HD1) ( resid 146 and name HE)   3.0   2.5   3.5 peak 
or {52} ( resid 146 and name HD2) ( resid 146 and name HE)

assi {53} ( resid 146 and name HD1) ( resid 146 and name HE)   3.0   2.5   3.5 peak 
or {53} ( resid 146 and name HD2) ( resid 146 and name HE)

assi {54} ( resid 148 and name HD1) ( resid 148 and name HE)   3.0   2.5   3.5 peak 
or {54} ( resid 148 and name HD2) ( resid 148 and name HE)

assi {55} ( resid 148 and name HD1) ( resid 148 and name HE)   3.0   2.5   3.5 peak 
or {55} ( resid 148 and name HD2) ( resid 148 and name HE)

assi {56} ( resid 148 and name HG1) ( resid 148 and name HE)   3.0   2.5   3.5 peak 
or {56} ( resid 148 and name HG2) ( resid 148 and name HE)

assi {57} ( resid 158 and name HB1) ( resid 158 and name HE)   3.0   2.5   3.5 peak 
or {57} ( resid 158 and name HB2) ( resid 158 and name HE)

assi {58} ( resid 158 and name HD1) ( resid 158 and name HE)   3.0   2.5   3.5 peak 
or {58} ( resid 158 and name HD2) ( resid 158 and name HE)

assi {59} ( resid 158 and name HG1) ( resid 158 and name HE)   3.0   2.5   3.5 peak 
or {59} ( resid 158 and name HG2) ( resid 158 and name HE)

assi {60} ( resid 138 and name HG11) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {60} ( resid 138 and name HG12) ( resid 174 and name HE)

assi {61} ( resid 138 and name HD11) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {61} ( resid 138 and name HD12) ( resid 174 and name HE)
or {61} ( resid 138 and name HD13) ( resid 174 and name HE)

assi {62} ( resid 138 and name HG21) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {62} ( resid 138 and name HG22) ( resid 174 and name HE)
or {62} ( resid 138 and name HG23) ( resid 174 and name HE)

assi {63} ( resid 173 and name HA) ( resid 174 and name HE)   3.0   2.5   3.5 peak 

assi {64} ( resid 174 and name HB1) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {64} ( resid 174 and name HB2) ( resid 174 and name HE)

assi {65} ( resid 174 and name HB1) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {65} ( resid 174 and name HB2) ( resid 174 and name HE)

assi {66} ( resid 174 and name HD1) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {66} ( resid 174 and name HD2) ( resid 174 and name HE)

assi {67} ( resid 174 and name HD1) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {67} ( resid 174 and name HD2) ( resid 174 and name HE)

assi {68} ( resid 174 and name HG1) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {68} ( resid 174 and name HG2) ( resid 174 and name HE)

assi {69} ( resid 174 and name HG1) ( resid 174 and name HE)   3.0   2.5   3.5 peak 
or {69} ( resid 174 and name HG2) ( resid 174 and name HE)

assi {70} ( resid 175 and name HB1) ( resid 175 and name HE)   3.0   2.5   3.5 peak 
or {70} ( resid 175 and name HB2) ( resid 175 and name HE)

assi {71} ( resid 175 and name HD1) ( resid 175 and name HE)   3.0   2.5   3.5 peak 
or {71} ( resid 175 and name HD2) ( resid 175 and name HE)

assi {72} ( resid 175 and name HG1) ( resid 175 and name HE)   3.0   2.5   3.5 peak 
or {72} ( resid 175 and name HG2) ( resid 175 and name HE)

!assi {73} ( resid 174 and name HD1) ( resid 175 and name HE) 3.0 1.3 5.37 peak  !3
!or {73} ( resid 174 and name HD2) ( resid 175 and name HE)

!assi {74} ( resid 79 and name HD1) ( resid 34 and name HN) 3.0 1.3 5.21 peak  !1
!or {74} ( resid 79 and name HD2) ( resid 34 and name HN)

ASSI {0}   (  resid 10   and name  HD# )   (( resid 12   and name  HA  )) 3.06 1.36 4.23 peak  1676 weight  1.00000E+00 volume  4.14735E+05 ppm1      6.540 ppm2      4.704 !2

ASSI {1}   (  resid 11   and name  HD# )   (( resid 21   and name  HN  )) 3.468 1.668 1.668 peak  2400 weight  1.00000E+00 volume  1.49470E+05 ppm1      6.748 ppm2      8.932

ASSI {2}   (( resid 16   and name  HZ  ))   (( resid 15   and name  HN  )) 3.086 1.386 3.476 peak  2007 weight  1.00000E+00 volume  2.01423E+05 ppm1      6.905 ppm2      9.263 !2

ASSI {3}   (( resid 16   and name  HZ  ))   (( resid 15   and name  HA  )) 3.208 1.408 1.408 peak  2015 weight  1.00000E+00 volume  1.59591E+05 ppm1      6.908 ppm2      3.179

ASSI {4}   (( resid 16   and name  HZ  ))   (( resid 16   and name  HN  )) 3.345 1.645 2.485 peak  2006 weight  1.00000E+00 volume  1.11490E+05 ppm1      6.908 ppm2      8.002 !1

ASSI {5}   (( resid 16   and name  HZ  ))   (( resid 68   and name  HA  )) 3.03 1.231 1.231 peak  2013 weight  1.00000E+00 volume  2.52832E+05 ppm1      6.906 ppm2      3.688

ASSI {6}   (  resid 16   and name  HD# )   (( resid 16   and name  HA  )) 2.979 1.179 1.179 peak  2662 weight  1.00000E+00 volume  5.39192E+05 ppm1      6.774 ppm2      2.840

ASSI {7}   (  resid 16   and name  HE# )   (( resid 66   and name  HA  )) 3.27 1.47 1.47 peak  2864 weight  1.00000E+00 volume  2.85741E+05 ppm1      7.280 ppm2      4.821

ASSI {8}   (  resid 21   and name  HE# )   (( resid 33   and name  HN  )) 3.505 1.805 2.725 peak  1934 weight  1.00000E+00 volume  1.48777E+05 ppm1      6.340 ppm2      7.265 !1

ASSI {9}   (  resid 33   and name  HD# )   (( resid 22   and name  HN  )) 3.549 1.849 3.959 peak  1516 weight  1.00000E+00 volume  1.48316E+05 ppm1      6.757 ppm2      7.548 !3

ASSI {10}   (( resid 47   and name  HH2 ))   (( resid 24   and name  HN  )) 3.202 1.502 2.091 peak  1895 weight  1.00000E+00 volume  1.55533E+05 ppm1      6.659 ppm2      8.546 !1

ASSI {11}   (( resid 47   and name  HH2 ))   (( resid 24   and name  HA  )) 3.103 1.302 1.302 peak  1897 weight  1.00000E+00 volume  1.92940E+05 ppm1      6.663 ppm2      5.292

ASSI {12}   (( resid 55   and name  HZ  ))   (( resid 28   and name  HA  )) 2.963 1.263 1.793 peak  1567 weight  1.00000E+00 volume  3.05549E+05 ppm1      7.184 ppm2      3.676 !1

ASSI {13}   (  resid 55   and name  HE# )   (( resid 28   and name  HA  )) 3.351 1.55 1.55 peak  2779 weight  1.00000E+00 volume  1.97468E+05 ppm1      7.402 ppm2      3.666

ASSI {14}   (( resid 30   and name  HA  ))   (  resid 33   and name  HD# ) 2.814 1.014 1.014 peak  1519 weight  1.00000E+00 volume  9.82621E+05 ppm1      6.755 ppm2      5.067

ASSI {15}   (  resid 30   and name  HD# )   (( resid 49   and name  HA  )) 3.566 1.866 4.076 peak  2372 weight  1.00000E+00 volume  1.38372E+05 ppm1      6.870 ppm2      5.348 !3

ASSI {16}   (( resid 31   and name  HA  ))   (  resid 33   and name  HD# ) 3.443 1.743 3.003 peak  1520 weight  1.00000E+00 volume  1.74436E+05 ppm1      6.757 ppm2      4.847 !1

ASSI {17}   (( resid 31   and name  HD2 ))   (( resid 35   and name  HA  )) 3.301 1.501 1.501 peak  2538 weight  1.00000E+00 volume  1.30107E+05 ppm1      7.121 ppm2      4.478

ASSI {18}   (( resid 31   and name  HD2 ))   (( resid 32   and name  HA  )) 2.74 0.94 0.94 peak  2540 weight  1.00000E+00 volume  5.74226E+05 ppm1      7.127 ppm2      3.652

ASSI {19}   (  resid 33   and name  HD# )   (( resid 33   and name  HA  )) 2.859 1.059 1.059 peak  1521 weight  1.00000E+00 volume  8.55637E+05 ppm1      6.755 ppm2      4.428

ASSI {20}   (  resid 70   and name  HD# )   (( resid 38   and name  HA  )) 3.093 1.293 1.293 peak  1828 weight  1.00000E+00 volume  4.14845E+05 ppm1      6.591 ppm2      5.277

ASSI {21}   (  resid 70   and name  HE# )   (( resid 38   and name  HA  )) 3.287 1.587 2.337 peak  2268 weight  1.00000E+00 volume  2.56228E+05 ppm1      6.519 ppm2      5.309 !1

ASSI {22}   (  resid 67   and name  HE# )   (( resid 42   and name  HN  )) 2.649 0.949 1.59 peak  2626 weight  1.00000E+00 volume  1.60301E+06 ppm1      6.854 ppm2      9.323 !1

ASSI {23}   (( resid 47   and name  HZ2 ))   (( resid 43   and name  HN  )) 3.079 1.379 4.059 peak  2062 weight  1.00000E+00 volume  2.31340E+05 ppm1      6.955 ppm2      8.540 !3

ASSI {24}   (( resid 47   and name  HD1 ))   (( resid 46   and name  HA  )) 2.947 1.147 1.147 peak  2673 weight  1.00000E+00 volume  3.12054E+05 ppm1      6.966 ppm2      4.853

ASSI {25}   (( resid 47   and name  HE3 ))   (( resid 83   and name  HA  )) 3.2 1.401 1.401 peak  1492 weight  1.00000E+00 volume  1.60918E+05 ppm1      7.195 ppm2      6.458

ASSI {26}   (( resid 47   and name  HZ2 ))   (( resid 7    and name  HA  )) 2.819 1.019 1.019 peak  2066 weight  1.00000E+00 volume  4.76910E+05 ppm1      6.958 ppm2      5.011

ASSI {27}   (( resid 47   and name  HZ2 ))   (( resid 6    and name  HA  )) 3.288 1.588 2.148 peak  2067 weight  1.00000E+00 volume  1.30665E+05 ppm1      6.958 ppm2      4.528 !1

ASSI {28}   (( resid 47   and name  HD1 ))   (( resid 63   and name  HA  )) 3.21 1.51 2.42 peak  2672 weight  1.00000E+00 volume  1.63949E+05 ppm1      6.961 ppm2      5.069 !1

ASSI {29}   (( resid 87   and name  HE1 ))   (( resid 47   and name  HA  )) 2.566 0.866 6.316 peak  2711 weight  1.00000E+00 volume  1.28937E+06 ppm1      8.490 ppm2      4.808 !2

ASSI {30}   (( resid 47   and name  HH2 ))   (( resid 85   and name  HA  )) 3.283 1.483 1.483 peak  3068 weight  1.00000E+00 volume  1.24215E+05 ppm1      6.673 ppm2      3.226

ASSI {31}   (( resid 55   and name  HZ  ))   (( resid 84   and name  HA  )) 3.319 1.619 3.108 peak  1566 weight  1.00000E+00 volume  1.20660E+05 ppm1      7.186 ppm2      4.944 !2

ASSI {32}   (  resid 55   and name  HE# )   (( resid 84   and name  HA  )) 3.62 1.82 1.82 peak  2777 weight  1.00000E+00 volume  1.17477E+05 ppm1      7.394 ppm2      4.948

ASSI {33}   (  resid 58   and name  HD# )   (( resid 58   and name  HN  )) 3.16 1.36 1.36 peak  2142 weight  1.00000E+00 volume  3.36678E+05 ppm1      7.223 ppm2      8.290

ASSI {34}   (  resid 58   and name  HD# )   (( resid 58   and name  HA  )) 2.875 1.075 1.075 peak  2148 weight  1.00000E+00 volume  7.82934E+05 ppm1      7.224 ppm2      4.222

ASSI {35}   (  resid 58   and name  HE# )   (( resid 58   and name  HA  )) 3.115 1.415 2.175 peak  2427 weight  1.00000E+00 volume  3.48587E+05 ppm1      6.828 ppm2      4.220 !1

ASSI {36}   (  resid 67   and name  HE# )   (( resid 62   and name  HA  )) 3.112 1.412 1.822 peak  2629 weight  1.00000E+00 volume  3.84902E+05 ppm1      6.852 ppm2      5.025 !1

ASSI {37}   (  resid 67   and name  HE# )   (( resid 67   and name  HN  )) 2.671 0.971 2.221 peak  2625 weight  1.00000E+00 volume  1.46827E+06 ppm1      6.852 ppm2      9.258 !1

ASSI {38}   (  resid 67   and name  HE# )   (( resid 73   and name  HA  )) 3.228 1.428 1.428 peak  2628 weight  1.00000E+00 volume  2.82785E+05 ppm1      6.854 ppm2      5.318

ASSI {39}   (  resid 70   and name  HD# )   (( resid 69   and name  HA  )) 3.144 1.344 1.344 peak  1829 weight  1.00000E+00 volume  3.45247E+05 ppm1      6.591 ppm2      5.353

ASSI {40}   (  resid 70   and name  HD# )   (( resid 74   and name  HN  )) 3.187 1.487 3.387 peak  1821 weight  1.00000E+00 volume  3.14385E+05 ppm1      6.591 ppm2      7.634 !2

ASSI {41}   (  resid 70   and name  HD# )   (( resid 70   and name  HN  )) 3.065 1.365 2.345 peak  1823 weight  1.00000E+00 volume  4.32400E+05 ppm1      6.591 ppm2      8.420 !2

ASSI {42}   (  resid 70   and name  HD# )   (( resid 78   and name  HA  )) 3.196 1.396 1.396 peak  1830 weight  1.00000E+00 volume  3.16887E+05 ppm1      6.591 ppm2      4.627

ASSI {43}   (  resid 70   and name  HE# )   (( resid 73   and name  HN  )) 3.202 1.502 4.112 peak  2260 weight  1.00000E+00 volume  3.18266E+05 ppm1      6.520 ppm2      7.259 !2

ASSI {44}   (  resid 70   and name  HE# )   (( resid 70   and name  HN  )) 3.299 1.499 1.499 peak  2265 weight  1.00000E+00 volume  2.29367E+05 ppm1      6.517 ppm2      8.429

ASSI {45}   (  resid 70   and name  HE# )   (( resid 78   and name  HA  )) 3.227 1.527 2.847 peak  2270 weight  1.00000E+00 volume  3.09028E+05 ppm1      6.520 ppm2      4.634 !2

ASSI {46}   (( resid 73   and name  HZ2 ))   (( resid 78   and name  HA  )) 3.342 1.542 1.542 peak  2506 weight  1.00000E+00 volume  1.07826E+05 ppm1      7.299 ppm2      4.606

ASSI {47}   (( resid 73   and name  HH2 ))   (( resid 80   and name  HA  )) 3.058 1.358 3.938 peak  2574 weight  1.00000E+00 volume  2.23201E+05 ppm1      6.670 ppm2      4.998 !2

ASSI {48}   (( resid 87   and name  HD2 ))   (( resid 87   and name  HN  )) 2.875 1.175 1.905 peak  2446 weight  1.00000E+00 volume  4.04007E+05 ppm1      7.179 ppm2      8.652 !1

ASSI {49}   (( resid 87   and name  HD2 ))   (( resid 87   and name  HA  )) 3.024 1.324 1.764 peak  2448 weight  1.00000E+00 volume  2.44149E+05 ppm1      7.179 ppm2      4.663 !1

ASSI {50}   (  resid 94   and name  HD# )   (( resid 96   and name  HN  )) 3.285 1.585 2.556 peak  1971 weight  1.00000E+00 volume  2.38917E+05 ppm1      6.646 ppm2      9.035 !1

ASSI {51}   (  resid 94   and name  HD# )   (( resid 95   and name  HN  )) 3.388 1.588 1.588 peak  1972 weight  1.00000E+00 volume  1.75141E+05 ppm1      6.645 ppm2      9.125

ASSI {52}   (  resid 94   and name  HE# )   (( resid 95   and name  HN  )) 3.559 1.759 1.759 peak  2106 weight  1.00000E+00 volume  1.16385E+05 ppm1      6.833 ppm2      9.119

ASSI {53}   (  resid 94   and name  HE# )   (( resid 96   and name  HN  )) 3.489 1.789 2.718 peak  2107 weight  1.00000E+00 volume  1.53361E+05 ppm1      6.832 ppm2      9.038 !1

ASSI {54}   (  resid 94   and name  HE# )   (( resid 95   and name  HA  )) 3.507 1.807 2.537 peak  2112 weight  1.00000E+00 volume  1.56990E+05 ppm1      6.834 ppm2      5.019 !1

ASSI {55}   (( resid 128  and name  HD2 ))   (( resid 100  and name  HA  )) 2.806 1.106 5.106 peak  1646 weight  1.00000E+00 volume  4.69481E+05 ppm1      7.244 ppm2      4.342 !3

ASSI {56}   (  resid 109  and name  HD# )   (( resid 99   and name  HA  )) 3.496 1.796 2.636 peak  1702 weight  1.00000E+00 volume  1.41891E+05 ppm1      7.001 ppm2      5.475 !1

ASSI {57}   (  resid 109  and name  HE# )   (( resid 122  and name  HN  )) 3.442 1.742 2.382 peak  2077 weight  1.00000E+00 volume  1.88537E+05 ppm1      6.943 ppm2      7.854 !1

ASSI {58}   (  resid 109  and name  HD# )   (( resid 110  and name  HN  )) 3.149 1.349 1.349 peak  2952 weight  1.00000E+00 volume  3.42409E+05 ppm1      7.006 ppm2      8.808

ASSI {59}   (( resid 109  and name  HA  ))   (  resid 109  and name  HD# ) 2.829 1.029 1.029 peak  2958 weight  1.00000E+00 volume  9.27021E+05 ppm1      7.008 ppm2      4.597

ASSI {60}   (  resid 109  and name  HE# )   (( resid 109  and name  HA  )) 3.125 1.325 1.325 peak  3145 weight  1.00000E+00 volume  3.87950E+05 ppm1      6.945 ppm2      4.605

ASSI {61}   (( resid 109  and name  HA  ))   (  resid 122  and name  HD# ) 3.434 1.635 1.635 peak  3402 weight  1.00000E+00 volume  1.78673E+05 ppm1      6.596 ppm2      4.579

ASSI {62}   (( resid 137  and name  HH2 ))   (( resid 111  and name  HA  )) 2.983 1.283 4.983 peak  1405 weight  1.00000E+00 volume  2.86646E+05 ppm1      6.913 ppm2      5.216 !4

ASSI {63}   (( resid 122  and name  HZ  ))   (( resid 111  and name  HA  )) 3.187 1.487 2.567 peak  1449 weight  1.00000E+00 volume  1.52173E+05 ppm1      7.166 ppm2      5.228 !1

ASSI {64}   (  resid 94   and name  HE# )   (( resid 114  and name  HA  )) 3.056 1.256 1.256 peak  2111 weight  1.00000E+00 volume  4.51659E+05 ppm1      6.835 ppm2      4.804

ASSI {65}   (  resid 145  and name  HE# )   (( resid 114  and name  HA  )) 3.116 1.316 1.316 peak  2984 weight  1.00000E+00 volume  3.88610E+05 ppm1      6.719 ppm2      4.807

ASSI {66}   (( resid 137  and name  HH2 ))   (( resid 115  and name  HN  )) 3.243 1.543 3.863 peak  1401 weight  1.00000E+00 volume  1.34757E+05 ppm1      6.910 ppm2      8.986 !3

ASSI {67}   (  resid 173  and name  HE# )   (( resid 115  and name  HA  )) 3.569 1.769 1.769 peak  1430 weight  1.00000E+00 volume  1.28019E+05 ppm1      7.254 ppm2      4.935

ASSI {68}   (( resid 123  and name  HE1 ))   (( resid 120  and name  HA  )) 2.941 1.141 1.141 peak  1596 weight  1.00000E+00 volume  3.56168E+05 ppm1      8.541 ppm2      3.888

ASSI {69}   (  resid 122  and name  HE# )   (( resid 122  and name  HN  )) 3.699 1.899 1.899 peak  1768 weight  1.00000E+00 volume  8.78975E+04 ppm1      7.348 ppm2      7.824

ASSI {70}   (( resid 123  and name  HE1 ))   (( resid 123  and name  HA  )) 2.499 0.799 1.869 peak  1595 weight  1.00000E+00 volume  1.59650E+06 ppm1      8.540 ppm2      4.812 !1

ASSI {71}   (( resid 128  and name  HE1 ))   (( resid 124  and name  HA  )) 2.733 1.033 4.924 peak  2041 weight  1.00000E+00 volume  6.44868E+05 ppm1      8.566 ppm2      4.807 !3

ASSI {72}   (( resid 128  and name  HE1 ))   (( resid 127  and name  HN  )) 3.293 1.593 2.344 peak  2036 weight  1.00000E+00 volume  1.12918E+05 ppm1      8.564 ppm2      8.126 !1

ASSI {73}   (( resid 128  and name  HD2 ))   (( resid 129  and name  HN  )) 2.856 1.156 4.125 peak  1635 weight  1.00000E+00 volume  4.43645E+05 ppm1      7.247 ppm2      8.004 !3

ASSI {74}   (( resid 128  and name  HD2 ))   (( resid 128  and name  HA  )) 2.676 0.876 0.876 peak  1642 weight  1.00000E+00 volume  7.10327E+05 ppm1      7.250 ppm2      4.746

ASSI {75}   (( resid 128  and name  HD2 ))   (( resid 129  and name  HA  )) 2.96 1.26 4.87 peak  1644 weight  1.00000E+00 volume  3.24050E+05 ppm1      7.247 ppm2      4.623 !2

ASSI {76}   (( resid 163  and name  HH2 ))   (( resid 129  and name  HN  )) 3.247 1.446 1.446 peak  1878 weight  1.00000E+00 volume  1.41399E+05 ppm1      6.504 ppm2      7.996

ASSI {77}   (( resid 163  and name  HH2 ))   (( resid 129  and name  HA  )) 2.962 1.162 1.162 peak  1883 weight  1.00000E+00 volume  2.94345E+05 ppm1      6.514 ppm2      4.635

ASSI {78}   (( resid 163  and name  HZ3 ))   (( resid 129  and name  HN  )) 3.276 1.476 1.476 peak  1956 weight  1.00000E+00 volume  1.60940E+05 ppm1      6.479 ppm2      7.997

ASSI {79}   (( resid 163  and name  HZ2 ))   (( resid 129  and name  HA  )) 3.03 1.33 2.47 peak  2743 weight  1.00000E+00 volume  2.49514E+05 ppm1      7.286 ppm2      4.614 !1

ASSI {80}   (( resid 137  and name  HD1 ))   (( resid 136  and name  HA  )) 2.907 1.207 5.087 peak  2217 weight  1.00000E+00 volume  3.48826E+05 ppm1      6.898 ppm2      4.770 !3

ASSI {81}   (( resid 137  and name  HH2 ))   (( resid 95   and name  HA  )) 3.163 1.363 1.363 peak  1406 weight  1.00000E+00 volume  1.96486E+05 ppm1      6.917 ppm2      4.998

ASSI {82}   (( resid 137  and name  HZ3 ))   (( resid 174  and name  HA  )) 3.312 1.612 4.772 peak  1757 weight  1.00000E+00 volume  1.08676E+05 ppm1      7.311 ppm2      5.244 !3

ASSI {83}   (  resid 94   and name  HD# )   (( resid 137  and name  HA  )) 3.49 1.79 2.74 peak  1975 weight  1.00000E+00 volume  1.55404E+05 ppm1      6.651 ppm2      5.343 !2

ASSI {84}   (( resid 137  and name  HZ2 ))   (( resid 95   and name  HA  )) 2.849 1.149 3.949 peak  2721 weight  1.00000E+00 volume  4.30419E+05 ppm1      7.073 ppm2      5.012 !3

ASSI {85}   (( resid 137  and name  HZ2 ))   (( resid 96   and name  HA  )) 3.068 1.368 2.908 peak  2722 weight  1.00000E+00 volume  2.28694E+05 ppm1      7.076 ppm2      4.505 !1

ASSI {86}   (  resid 150  and name  HE# )   (( resid 140  and name  HA  )) 3.663 1.963 2.413 peak  2238 weight  1.00000E+00 volume  1.08452E+05 ppm1      6.713 ppm2      5.778 !1

ASSI {87}   (  resid 145  and name  HD# )   (( resid 146  and name  HN  )) 3.433 1.633 1.633 peak  2296 weight  1.00000E+00 volume  1.72255E+05 ppm1      6.701 ppm2      6.148

ASSI {88}   (  resid 145  and name  HD# )   (( resid 172  and name  HA  )) 3.41 1.71 3.541 peak  2298 weight  1.00000E+00 volume  1.79140E+05 ppm1      6.697 ppm2      4.578 !2

ASSI {89}   (  resid 145  and name  HD# )   (( resid 145  and name  HA  )) 3.025 1.225 1.225 peak  2306 weight  1.00000E+00 volume  4.42924E+05 ppm1      6.692 ppm2      2.818

ASSI {90}   (  resid 145  and name  HE# )   (( resid 173  and name  HN  )) 2.928 1.128 1.128 peak  2978 weight  1.00000E+00 volume  6.27705E+05 ppm1      6.720 ppm2      8.931

ASSI {91}   (  resid 145  and name  HE# )   (( resid 145  and name  HA  )) 3.199 1.399 1.399 peak  2989 weight  1.00000E+00 volume  2.91575E+05 ppm1      6.722 ppm2      2.815

ASSI {92}   (  resid 58   and name  HE# )   (( resid 148  and name  HN  )) 3.366 1.666 3.276 peak  2421 weight  1.00000E+00 volume  1.91482E+05 ppm1      6.825 ppm2      8.611 !3

ASSI {93}   (  resid 58   and name  HE# )   (( resid 148  and name  HA  )) 3.362 1.662 3.122 peak  2428 weight  1.00000E+00 volume  1.80539E+05 ppm1      6.829 ppm2      4.071 !2

ASSI {94}   (  resid 150  and name  HE# )   (( resid 165  and name  HN  )) 2.961 1.261 2.141 peak  2230 weight  1.00000E+00 volume  5.70672E+05 ppm1      6.711 ppm2      7.100 !1

ASSI {95}   (  resid 150  and name  HE# )   (( resid 163  and name  HN  )) 3.182 1.482 4.322 peak  2232 weight  1.00000E+00 volume  3.17997E+05 ppm1      6.716 ppm2      7.589 !3

ASSI {96}   (  resid 150  and name  HE# )   (( resid 150  and name  HN  )) 3.209 1.509 3.569 peak  2234 weight  1.00000E+00 volume  2.75224E+05 ppm1      6.714 ppm2      8.738 !2

ASSI {97}   (( resid 163  and name  HZ2 ))   (( resid 160  and name  HA  )) 2.832 1.032 1.032 peak  2747 weight  1.00000E+00 volume  4.34988E+05 ppm1      7.291 ppm2      1.065

ASSI {98}   (( resid 163  and name  HD1 ))   (( resid 166  and name  HN  )) 3.314 1.614 2.814 peak  1850 weight  1.00000E+00 volume  1.19795E+05 ppm1      6.212 ppm2      8.696 !2

ASSI {99}   (( resid 163  and name  HD1 ))   (( resid 166  and name  HA  )) 3.364 1.664 4.133 peak  1855 weight  1.00000E+00 volume  1.05573E+05 ppm1      6.197 ppm2      4.211 !2

ASSI {100}   (( resid 163  and name  HE3 ))   (( resid 163  and name  HA  )) 3.229 1.429 1.429 peak  2030 weight  1.00000E+00 volume  1.54222E+05 ppm1      7.100 ppm2      5.318

ASSI {101}   (( resid 163  and name  HZ2 ))   (( resid 169  and name  HN  )) 3.202 1.502 2.412 peak  2734 weight  1.00000E+00 volume  1.51510E+05 ppm1      7.288 ppm2      7.457 !1

ASSI {102}   (( resid 163  and name  HZ2 ))   (( resid 165  and name  HN  )) 3.03 1.33 2.97 peak  2735 weight  1.00000E+00 volume  2.52624E+05 ppm1      7.291 ppm2      7.120 !2

ASSI {103}   (  resid 173  and name  HD# )   (( resid 173  and name  HA  )) 3.412 1.612 1.612 peak  2548 weight  1.00000E+00 volume  1.70065E+05 ppm1      6.988 ppm2      6.353

ASSI {104}   (  resid 94   and name  HD# )   (( resid 175  and name  HA  )) 3.264 1.465 1.465 peak  1983 weight  1.00000E+00 volume  2.64555E+05 ppm1      6.640 ppm2      3.568

ASSI {105}   (  resid 94   and name  HE# )   (( resid 175  and name  HA  )) 3.194 1.394 1.394 peak  2117 weight  1.00000E+00 volume  3.07565E+05 ppm1      6.838 ppm2      3.560

ASSI {106}   (  resid 94   and name  HD# )   (( resid 176  and name  HN  )) 3.494 1.694 1.694 peak  1968 weight  1.00000E+00 volume  1.48131E+05 ppm1      6.643 ppm2      7.875

!ASSI {107}   (  resid 70   and name  HE# )   (( resid 74   and name  HN  )) 3.349 1.649 4.949 peak  2262 weight  1.00000E+00 volume  2.20934E+05 ppm1      6.516 ppm2      7.656 !3

!ASSI {108}   (  resid 150  and name  HE# )   (( resid 142  and name  HA  )) 3.369 1.669 5.188 peak  2239 weight  1.00000E+00 volume  2.10193E+05 ppm1      6.723 ppm2      4.981 !3

!ASSI {109}   (( resid 163  and name  HH2 ))   (( resid 170  and name  HA  )) 3.272 1.572 5.022 peak  1884 weight  1.00000E+00 volume  1.40566E+05 ppm1      6.502 ppm2      4.458 !2

ASSI {0}   (  resid 6    and name  HG2#)   (( resid 87   and name  HE1 )) 3.498 1.798 2.218 peak  1421 weight  1.00000E+00 volume  2.94797E+05 ppm1      8.491 ppm2      1.006 !1

ASSI {1}   (  resid 10   and name  HE# )   (  resid 33   and name  HD# ) 3.357 1.657 4.977 peak  1514 weight  1.00000E+00 volume  4.32146E+05 ppm1      6.755 ppm2      7.038 !4

ASSI {2}   (  resid 10   and name  HE# )   (  resid 30   and name  HE# ) 3.72 1.919 1.919 peak  2165 weight  1.00000E+00 volume  2.03187E+05 ppm1      6.381 ppm2      7.042

ASSI {3}   (( resid 10   and name  HZ  ))   (( resid 62   and name  HB1 )) 3.112 1.412 4.142 peak  2386 weight  1.00000E+00 volume  2.19792E+05 ppm1      6.851 ppm2      1.409 !2

ASSI {4}   (  resid 10   and name  HE# )   (( resid 10   and name  HB1 )) 3.035 1.335 1.655 peak  2463 weight  1.00000E+00 volume  4.81940E+05 ppm1      7.064 ppm2      3.165 !1

ASSI {5}   (  resid 11   and name  HE# )   (( resid 16   and name  HZ  )) 3.205 1.505 4.005 peak  2003 weight  1.00000E+00 volume  3.31469E+05 ppm1      6.898 ppm2      7.069 !1

ASSI {6}   (  resid 11   and name  HD# )   (  resid 16   and name  HE# ) 3.789 1.989 1.989 peak  2397 weight  1.00000E+00 volume  1.44316E+05 ppm1      6.755 ppm2      7.254

ASSI {7}   (  resid 11   and name  HD# )   (( resid 11   and name  HB1 )) 3.156 1.356 1.356 peak  2408 weight  1.00000E+00 volume  3.43056E+05 ppm1      6.747 ppm2      3.394

ASSI {8}   (  resid 11   and name  HD# )   (( resid 20   and name  HD1 )) 3.376 1.676 2.146 peak  2410 weight  1.00000E+00 volume  2.03070E+05 ppm1      6.753 ppm2      2.990 !1

ASSI {9}   (  resid 11   and name  HD# )   (( resid 40   and name  HG12)) 3.314 1.514 1.514 peak  2413 weight  1.00000E+00 volume  2.25624E+05 ppm1      6.748 ppm2      1.405

ASSI {10}   (  resid 16   and name  HE# )   (( resid 15   and name  HB1 )) 3.27 1.47 1.47 peak  1553 weight  1.00000E+00 volume  2.54696E+05 ppm1      7.275 ppm2      2.827

ASSI {11}   (( resid 16   and name  HZ  ))   (( resid 15   and name  HB1 )) 3.294 1.594 3.384 peak  2017 weight  1.00000E+00 volume  1.25459E+05 ppm1      6.905 ppm2      2.829 !2

ASSI {12}   (  resid 16   and name  HE# )   (( resid 39   and name  HB1 )) 3.032 1.232 1.232 peak  1549 weight  1.00000E+00 volume  5.42254E+05 ppm1      7.277 ppm2      3.844

ASSI {13}   (( resid 16   and name  HB2 ))   (  resid 16   and name  HE# ) 3.123 1.323 1.323 peak  1552 weight  1.00000E+00 volume  4.14520E+05 ppm1      7.276 ppm2      2.967

ASSI {14}   (  resid 16   and name  HE# )   (( resid 41   and name  HG1 )) 3.189 1.389 1.389 peak  1559 weight  1.00000E+00 volume  3.29246E+05 ppm1      7.278 ppm2      1.294

ASSI {15}   (  resid 16   and name  HD# )   (( resid 16   and name  HZ  )) 2.985 1.185 1.185 peak  2002 weight  1.00000E+00 volume  5.37144E+05 ppm1      6.907 ppm2      6.776

ASSI {16}   (  resid 16   and name  HE# )   (( resid 16   and name  HZ  )) 2.631 0.8305 0.8305 peak  2004 weight  1.00000E+00 volume  1.69306E+06 ppm1      6.904 ppm2      7.264

ASSI {17}   (( resid 16   and name  HZ  ))   (( resid 39   and name  HB2 )) 3.283 1.583 2.803 peak  2011 weight  1.00000E+00 volume  1.29324E+05 ppm1      6.905 ppm2      4.304 !1

ASSI {18}   (( resid 16   and name  HZ  ))   (( resid 39   and name  HB1 )) 2.814 1.114 2.844 peak  2012 weight  1.00000E+00 volume  4.85233E+05 ppm1      6.908 ppm2      3.847 !1

ASSI {19}   (( resid 16   and name  HB2 ))   (( resid 16   and name  HZ  )) 3.288 1.588 2.598 peak  2016 weight  1.00000E+00 volume  1.34330E+05 ppm1      6.904 ppm2      2.981 !1

ASSI {20}   (( resid 16   and name  HZ  ))   (( resid 68   and name  HG1 )) 2.806 1.106 1.526 peak  2020 weight  1.00000E+00 volume  4.52391E+05 ppm1      6.905 ppm2      2.189 !1

ASSI {21}   (( resid 16   and name  HZ  ))   (( resid 41   and name  HE1 )) 3.116 1.316 1.316 peak  2021 weight  1.00000E+00 volume  1.73696E+05 ppm1      6.890 ppm2      1.698

ASSI {22}   (  resid 21   and name  HE# )   (( resid 19   and name  HG1 )) 3.147 1.447 6.397 peak  1952 weight  1.00000E+00 volume  3.77173E+05 ppm1      6.335 ppm2      1.942 !2

ASSI {23}   (  resid 21   and name  HE# )   (  resid 33   and name  HD# ) 3.279 1.479 1.479 peak  1931 weight  1.00000E+00 volume  4.80918E+05 ppm1      6.339 ppm2      6.756

ASSI {24}   (  resid 21   and name  HE# )   (  resid 27   and name  HB# ) 3.389 1.589 1.589 peak  1944 weight  1.00000E+00 volume  2.29042E+05 ppm1      6.329 ppm2      3.450

ASSI {25}   (  resid 21   and name  HE# )   (( resid 30   and name  HB1 )) 3.266 1.466 1.466 peak  1947 weight  1.00000E+00 volume  2.56797E+05 ppm1      6.337 ppm2      2.917

ASSI {26}   (  resid 21   and name  HE# )   (( resid 21   and name  HB1 )) 3.168 1.368 1.368 peak  1949 weight  1.00000E+00 volume  3.39606E+05 ppm1      6.339 ppm2      2.791

ASSI {27}   (  resid 21   and name  HE# )   (( resid 23   and name  HB1 )) 3.087 1.287 1.287 peak  1950 weight  1.00000E+00 volume  4.22306E+05 ppm1      6.336 ppm2      2.446

ASSI {28}   (( resid 23   and name  HB1 ))   (  resid 33   and name  HD# ) 3.405 1.705 4.356 peak  1531 weight  1.00000E+00 volume  1.96879E+05 ppm1      6.756 ppm2      2.446 !2

ASSI {29}   (( resid 55   and name  HZ  ))   (  resid 26   and name  HB# ) 2.911 1.211 3.661 peak  1569 weight  1.00000E+00 volume  3.54667E+05 ppm1      7.185 ppm2      2.887 !2

ASSI {30}   (  resid 33   and name  HD# )   (  resid 27   and name  HB# ) 3.417 1.717 3.147 peak  1524 weight  1.00000E+00 volume  1.78877E+05 ppm1      6.749 ppm2      3.437 !2

ASSI {31}   (( resid 55   and name  HZ  ))   (  resid 28   and name  HB# ) 3.058 1.258 1.258 peak  1573 weight  1.00000E+00 volume  7.29534E+05 ppm1      7.186 ppm2      1.388

ASSI {32}   (  resid 55   and name  HE# )   (  resid 28   and name  HB# ) 3.448 1.648 1.648 peak  2786 weight  1.00000E+00 volume  4.75014E+05 ppm1      7.398 ppm2      1.378

ASSI {33}   (  resid 30   and name  HD# )   (( resid 29   and name  HB1 )) 3.333 1.633 3.624 peak  2379 weight  1.00000E+00 volume  2.12123E+05 ppm1      6.856 ppm2      3.018 !1

ASSI {34}   (  resid 30   and name  HD# )   (  resid 33   and name  HD# ) 2.49 0.79 1.67 peak  1510 weight  1.00000E+00 volume  4.72395E+06 ppm1      6.756 ppm2      6.856 !1

ASSI {35}   (  resid 30   and name  HE# )   (  resid 33   and name  HD# ) 3.49 1.79 2.93 peak  1511 weight  1.00000E+00 volume  2.94312E+05 ppm1      6.752 ppm2      6.363 !2

ASSI {36}   (( resid 30   and name  HB1 ))   (  resid 33   and name  HD# ) 2.897 1.097 1.097 peak  1527 weight  1.00000E+00 volume  7.59033E+05 ppm1      6.757 ppm2      2.922

ASSI {37}   (  resid 30   and name  HE# )   (( resid 30   and name  HZ  )) 2.817 1.017 1.017 peak  1577 weight  1.00000E+00 volume  9.61953E+05 ppm1      5.785 ppm2      6.386

ASSI {38}   (( resid 40   and name  HG12))   (( resid 30   and name  HZ  )) 3.056 1.356 2.826 peak  1584 weight  1.00000E+00 volume  2.35200E+05 ppm1      5.779 ppm2      1.370 !1

ASSI {39}   (  resid 49   and name  HG1#)   (( resid 30   and name  HZ  )) 3.718 2.018 3.788 peak  1585 weight  1.00000E+00 volume  1.47677E+05 ppm1      5.787 ppm2      1.088 !2

ASSI {40}   (( resid 30   and name  HZ  ))   (  resid 40   and name  HG2#) 3.898 2.198 2.948 peak  1588 weight  1.00000E+00 volume  9.76520E+04 ppm1      5.781 ppm2      0.234 !1

ASSI {41}   (  resid 30   and name  HE# )   (  resid 34   and name  HD1#) 3.723 1.923 1.923 peak  2187 weight  1.00000E+00 volume  2.56265E+05 ppm1      6.382 ppm2      0.789

ASSI {42}   (( resid 30   and name  HZ  ))   (( resid 80   and name  HB1 )) 3.186 1.386 1.386 peak  2885 weight  1.00000E+00 volume  1.57047E+05 ppm1      5.787 ppm2      1.578

ASSI {43}   (( resid 34   and name  HG  ))   (( resid 31   and name  HE1 )) 3.373 1.673 3.483 peak  1418 weight  1.00000E+00 volume  1.15690E+05 ppm1      8.440 ppm2      1.694 !1

ASSI {44}   (( resid 31   and name  HD2 ))   (  resid 35   and name  HB# ) 3.385 1.685 3.245 peak  2539 weight  1.00000E+00 volume  1.45647E+05 ppm1      7.114 ppm2      3.969 !2

ASSI {45}   (( resid 31   and name  HD2 ))   (( resid 31   and name  HB2 )) 2.614 0.914 1.604 peak  2541 weight  1.00000E+00 volume  9.45605E+05 ppm1      7.126 ppm2      3.569 !1

ASSI {46}   (( resid 31   and name  HD2 ))   (  resid 32   and name  HG2#) 3.27 1.47 1.47 peak  2543 weight  1.00000E+00 volume  4.20601E+05 ppm1      7.129 ppm2      0.553

ASSI {47}   (  resid 33   and name  HD# )   (( resid 32   and name  HB  )) 3.352 1.652 2.142 peak  1523 weight  1.00000E+00 volume  2.14533E+05 ppm1      6.760 ppm2      3.599 !1

ASSI {48}   (  resid 32   and name  HG2#)   (  resid 33   and name  HD# ) 3.882 2.082 2.082 peak  1534 weight  1.00000E+00 volume  1.95965E+05 ppm1      6.757 ppm2      0.551

ASSI {49}   (  resid 33   and name  HD# )   (( resid 33   and name  HB2 )) 2.835 1.034 1.034 peak  1525 weight  1.00000E+00 volume  9.20843E+05 ppm1      6.754 ppm2      3.112

ASSI {50}   (  resid 33   and name  HD# )   (( resid 33   and name  HB1 )) 2.855 1.055 1.055 peak  1530 weight  1.00000E+00 volume  8.47347E+05 ppm1      6.756 ppm2      2.254

ASSI {51}   (  resid 70   and name  HE# )   (( resid 36   and name  HD1 )) 3.127 1.427 4.387 peak  2274 weight  1.00000E+00 volume  3.65988E+05 ppm1      6.519 ppm2      3.154 !2

ASSI {52}   (( resid 38   and name  HD21))   (  resid 70   and name  HD# ) 3.072 1.372 2.172 peak  1824 weight  1.00000E+00 volume  4.16543E+05 ppm1      6.588 ppm2      8.548 !1

ASSI {53}   (  resid 70   and name  HE# )   (( resid 38   and name  HD21)) 3.287 1.587 2.347 peak  2266 weight  1.00000E+00 volume  2.32184E+05 ppm1      6.520 ppm2      8.545 !1

ASSI {54}   (( resid 73   and name  HZ2 ))   (  resid 40   and name  HD1#) 3.616 1.816 1.816 peak  2519 weight  1.00000E+00 volume  1.73466E+05 ppm1      7.294 ppm2     -0.589

ASSI {55}   (( resid 73   and name  HH2 ))   (( resid 40   and name  HG12)) 3.046 1.346 3.446 peak  2580 weight  1.00000E+00 volume  2.41577E+05 ppm1      6.670 ppm2      1.398 !2

ASSI {56}   (( resid 73   and name  HH2 ))   (( resid 40   and name  HG11)) 3.328 1.628 2.578 peak  2583 weight  1.00000E+00 volume  1.12022E+05 ppm1      6.665 ppm2      0.699 !1

ASSI {57}   (  resid 67   and name  HE# )   (( resid 41   and name  HD1 )) 3.09 1.39 5.589 peak  2644 weight  1.00000E+00 volume  3.90963E+05 ppm1      6.849 ppm2      1.331 !2

ASSI {58}   (( resid 47   and name  HD1 ))   (( resid 45   and name  HA1 )) 3.038 1.338 3.118 peak  2677 weight  1.00000E+00 volume  2.64290E+05 ppm1      6.970 ppm2      4.052 !2

ASSI {59}   (  resid 67   and name  HE# )   (  resid 46   and name  HG2#) 3.795 2.095 3.285 peak  2647 weight  1.00000E+00 volume  2.44404E+05 ppm1      6.849 ppm2      0.903 !2

ASSI {60}   (( resid 47   and name  HD1 ))   (  resid 46   and name  HG2#) 3.296 1.596 2.937 peak  2684 weight  1.00000E+00 volume  3.99067E+05 ppm1      6.964 ppm2      0.899 !2

ASSI {61}   (  resid 8    and name  HG2#)   (( resid 47   and name  HE3 )) 3.521 1.721 1.721 peak  1508 weight  1.00000E+00 volume  2.26810E+05 ppm1      7.194 ppm2     -0.559

ASSI {62}   (( resid 47   and name  HH2 ))   (  resid 6    and name  HG2#) 3.748 2.048 2.498 peak  1902 weight  1.00000E+00 volume  1.32071E+05 ppm1      6.660 ppm2      0.984 !1

ASSI {63}   (( resid 47   and name  HH2 ))   (  resid 85   and name  HB# ) 3.711 1.911 1.911 peak  1903 weight  1.00000E+00 volume  1.46984E+05 ppm1      6.659 ppm2      0.130

ASSI {64}   (  resid 8    and name  HG2#)   (( resid 47   and name  HH2 )) 3.633 1.833 1.833 peak  1904 weight  1.00000E+00 volume  1.62225E+05 ppm1      6.665 ppm2     -0.562

ASSI {65}   (( resid 47   and name  HZ2 ))   (( resid 47   and name  HE1 )) 3.273 1.473 1.473 peak  2063 weight  1.00000E+00 volume  1.09116E+05 ppm1      6.966 ppm2      9.465

ASSI {66}   (( resid 47   and name  HZ2 ))   (( resid 47   and name  HH2 )) 2.678 0.878 0.878 peak  2064 weight  1.00000E+00 volume  7.55832E+05 ppm1      6.961 ppm2      6.670

ASSI {67}   (( resid 47   and name  HZ2 ))   (  resid 7    and name  HG# ) 3.186 1.386 1.386 peak  2070 weight  1.00000E+00 volume  1.77510E+05 ppm1      6.955 ppm2      1.192

ASSI {68}   (( resid 47   and name  HZ2 ))   (  resid 6    and name  HG2#) 3.151 1.451 1.951 peak  2071 weight  1.00000E+00 volume  5.63510E+05 ppm1      6.968 ppm2      1.009 !1

ASSI {69}   (( resid 47   and name  HZ2 ))   (  resid 85   and name  HB# ) 3.699 1.898 1.898 peak  2072 weight  1.00000E+00 volume  1.64986E+05 ppm1      6.970 ppm2      0.152

ASSI {70}   (( resid 47   and name  HZ2 ))   (  resid 8    and name  HG2#) 3.63 1.83 1.83 peak  2073 weight  1.00000E+00 volume  1.95397E+05 ppm1      6.962 ppm2     -0.563

ASSI {71}   (( resid 47   and name  HD1 ))   (( resid 47   and name  HE1 )) 2.857 1.057 1.057 peak  2670 weight  1.00000E+00 volume  3.78230E+05 ppm1      6.969 ppm2      9.476

ASSI {72}   (( resid 47   and name  HD1 ))   (( resid 47   and name  HB1 )) 3.078 1.278 1.278 peak  2679 weight  1.00000E+00 volume  2.25253E+05 ppm1      6.972 ppm2      2.935

ASSI {73}   (( resid 47   and name  HD1 ))   (( resid 47   and name  HB2 )) 2.889 1.09 1.09 peak  2680 weight  1.00000E+00 volume  3.80821E+05 ppm1      6.970 ppm2      2.684

ASSI {74}   (( resid 47   and name  HD1 ))   (  resid 8    and name  HD1#) 3.547 1.747 1.747 peak  2687 weight  1.00000E+00 volume  2.18880E+05 ppm1      6.969 ppm2     -0.057

ASSI {75}   (( resid 47   and name  HD1 ))   (( resid 8    and name  HB  )) 3.241 1.441 1.441 peak  2688 weight  1.00000E+00 volume  1.67842E+05 ppm1      6.975 ppm2     -0.395

ASSI {76}   (( resid 73   and name  HZ3 ))   (  resid 49   and name  HG2#) 3.729 2.029 2.749 peak  2207 weight  1.00000E+00 volume  1.15416E+05 ppm1      6.667 ppm2      0.830 !1

ASSI {77}   (  resid 58   and name  HD# )   (( resid 51   and name  HG1 )) 3.283 1.583 2.033 peak  2155 weight  1.00000E+00 volume  2.50437E+05 ppm1      7.227 ppm2      1.992 !1

ASSI {78}   (( resid 51   and name  HG2 ))   (  resid 58   and name  HE# ) 3.203 1.503 4.483 peak  2434 weight  1.00000E+00 volume  2.77206E+05 ppm1      6.825 ppm2      2.725 !4

ASSI {79}   (( resid 51   and name  HG1 ))   (  resid 58   and name  HE# ) 3.224 1.524 3.834 peak  2437 weight  1.00000E+00 volume  2.70530E+05 ppm1      6.833 ppm2      1.991 !3

ASSI {80}   (  resid 55   and name  HD# )   (( resid 54   and name  HB1 )) 3.503 1.803 2.463 peak  2493 weight  1.00000E+00 volume  1.39097E+05 ppm1      6.804 ppm2      2.738 !1

ASSI {81}   (( resid 55   and name  HZ  ))   (  resid 55   and name  HB# ) 3.336 1.636 2.116 peak  1572 weight  1.00000E+00 volume  1.08023E+05 ppm1      7.183 ppm2      1.719 !1

ASSI {82}   (  resid 55   and name  HE# )   (( resid 84   and name  HE  )) 3.131 1.431 1.971 peak  2776 weight  1.00000E+00 volume  3.79133E+05 ppm1      7.398 ppm2      6.586 !1

ASSI {83}   (  resid 55   and name  HE# )   (  resid 55   and name  HB# ) 3.151 1.351 1.351 peak  2785 weight  1.00000E+00 volume  3.69508E+05 ppm1      7.405 ppm2      1.724

ASSI {84}   (  resid 55   and name  HE# )   (  resid 84   and name  HD# ) 3.383 1.583 1.583 peak  3491 weight  1.00000E+00 volume  2.26626E+05 ppm1      7.409 ppm2      2.378

ASSI {85}   (  resid 58   and name  HD# )   (( resid 57   and name  HA2 )) 3.416 1.716 2.746 peak  2149 weight  1.00000E+00 volume  2.00367E+05 ppm1      7.219 ppm2      3.691 !2

ASSI {86}   (  resid 58   and name  HD# )   (( resid 77   and name  HB1 )) 3.171 1.471 4.432 peak  2150 weight  1.00000E+00 volume  3.46343E+05 ppm1      7.224 ppm2      3.280 !4

ASSI {87}   (  resid 58   and name  HD# )   (  resid 58   and name  HB# ) 2.708 0.908 0.908 peak  2152 weight  1.00000E+00 volume  1.34735E+06 ppm1      7.222 ppm2      2.906

ASSI {88}   (  resid 58   and name  HD# )   (( resid 76   and name  HB1 )) 3.222 1.522 2.012 peak  2159 weight  1.00000E+00 volume  2.97795E+05 ppm1      7.225 ppm2      1.291 !1

ASSI {89}   (  resid 58   and name  HD# )   (  resid 58   and name  HE# ) 2.218 0.418 0.418 peak  2417 weight  1.00000E+00 volume  1.88961E+07 ppm1      6.833 ppm2      7.214

ASSI {90}   (  resid 58   and name  HB# )   (  resid 58   and name  HE# ) 2.892 1.092 1.092 peak  2433 weight  1.00000E+00 volume  7.40719E+05 ppm1      6.831 ppm2      2.905

ASSI {91}   (  resid 58   and name  HE# )   (( resid 76   and name  HB1 )) 2.989 1.289 2.238 peak  2441 weight  1.00000E+00 volume  5.81414E+05 ppm1      6.834 ppm2      1.293 !2

ASSI {92}   (  resid 58   and name  HE# )   (  resid 76   and name  HD2#) 3.145 1.445 2.215 peak  2444 weight  1.00000E+00 volume  1.09607E+06 ppm1      6.832 ppm2      0.605 !1

ASSI {93}   (  resid 67   and name  HE# )   (( resid 62   and name  HG  )) 2.91 1.21 1.901 peak  2645 weight  1.00000E+00 volume  6.88019E+05 ppm1      6.852 ppm2      1.108 !1

ASSI {94}   (  resid 67   and name  HE# )   (  resid 62   and name  HD1#) 3.482 1.683 1.683 peak  2649 weight  1.00000E+00 volume  4.80273E+05 ppm1      6.851 ppm2      0.279

ASSI {95}   (  resid 67   and name  HE# )   (  resid 62   and name  HD2#) 3.503 1.703 1.703 peak  2650 weight  1.00000E+00 volume  4.59594E+05 ppm1      6.851 ppm2     -0.228

ASSI {96}   (  resid 67   and name  HE# )   (( resid 63   and name  HD1 )) 3.102 1.402 1.942 peak  2632 weight  1.00000E+00 volume  3.70812E+05 ppm1      6.850 ppm2      4.169 !1

ASSI {97}   (  resid 67   and name  HE# )   (( resid 65   and name  HA2 )) 3.093 1.292 1.292 peak  2633 weight  1.00000E+00 volume  3.90508E+05 ppm1      6.851 ppm2      4.267

ASSI {98}   (  resid 67   and name  HE# )   (( resid 65   and name  HA1 )) 3.12 1.321 1.321 peak  2635 weight  1.00000E+00 volume  3.54709E+05 ppm1      6.853 ppm2      3.889

ASSI {99}   (  resid 67   and name  HD# )   (  resid 67   and name  HE# ) 2.604 0.804 0.804 peak  2621 weight  1.00000E+00 volume  3.82741E+06 ppm1      6.851 ppm2      7.055

ASSI {100}   (  resid 67   and name  HE# )   (( resid 73   and name  HB1 )) 3.323 1.523 1.523 peak  2638 weight  1.00000E+00 volume  2.11030E+05 ppm1      6.850 ppm2      3.469

ASSI {101}   (  resid 67   and name  HE# )   (( resid 67   and name  HB1 )) 3.103 1.302 1.302 peak  2639 weight  1.00000E+00 volume  3.84101E+05 ppm1      6.852 ppm2      3.242

ASSI {102}   (  resid 70   and name  HD# )   (( resid 75   and name  HA1 )) 3.228 1.428 1.428 peak  1835 weight  1.00000E+00 volume  2.72809E+05 ppm1      6.586 ppm2      3.656

ASSI {103}   (  resid 70   and name  HD# )   (( resid 76   and name  HB2 )) 3.6 1.9 2.89 peak  1846 weight  1.00000E+00 volume  1.35208E+05 ppm1      6.578 ppm2      1.449 !2

ASSI {104}   (  resid 70   and name  HE# )   (( resid 77   and name  HB1 )) 3.393 1.693 4.503 peak  2275 weight  1.00000E+00 volume  1.83323E+05 ppm1      6.518 ppm2      3.278 !3

ASSI {105}   (( resid 78   and name  HB1 ))   (  resid 70   and name  HE# ) 2.998 1.298 2.258 peak  2278 weight  1.00000E+00 volume  5.29017E+05 ppm1      6.516 ppm2      2.585 !2

ASSI {106}   (( resid 73   and name  HD1 ))   (  resid 80   and name  HD2#) 3.508 1.808 3.148 peak  1477 weight  1.00000E+00 volume  2.35076E+05 ppm1      6.059 ppm2      0.868 !2

ASSI {107}   (( resid 73   and name  HZ3 ))   (( resid 73   and name  HE3 )) 2.593 0.7925 0.7925 peak  2189 weight  1.00000E+00 volume  9.51870E+05 ppm1      6.668 ppm2      6.409

ASSI {108}   (( resid 73   and name  HZ3 ))   (( resid 80   and name  HB2 )) 2.972 1.172 1.172 peak  2206 weight  1.00000E+00 volume  2.87441E+05 ppm1      6.676 ppm2      1.332

ASSI {109}   (  resid 80   and name  HD2#)   (( resid 73   and name  HZ2 )) 3.072 1.372 1.792 peak  2518 weight  1.00000E+00 volume  6.70686E+05 ppm1      7.294 ppm2      0.869 !1

ASSI {110}   (( resid 73   and name  HH2 ))   (  resid 80   and name  HD2#) 3.627 1.826 1.826 peak  2582 weight  1.00000E+00 volume  1.63969E+05 ppm1      6.675 ppm2      0.863

ASSI {111}   (( resid 73   and name  HE3 ))   (( resid 76   and name  HB1 )) 3.052 1.352 5.342 peak  2757 weight  1.00000E+00 volume  2.38382E+05 ppm1      6.400 ppm2      1.288 !1

ASSI {112}   (( resid 73   and name  HZ2 ))   (( resid 73   and name  HE1 )) 3.048 1.248 1.248 peak  3361 weight  1.00000E+00 volume  2.20394E+05 ppm1      7.301 ppm2      9.985

ASSI {113}   (( resid 73   and name  HH2 ))   (( resid 73   and name  HZ2 )) 2.607 0.8065 0.8065 peak  3362 weight  1.00000E+00 volume  9.43759E+05 ppm1      7.299 ppm2      6.667
OR {113}   (( resid 73   and name  HZ3 ))   (( resid 73   and name  HZ2 ))

ASSI {114}   (( resid 73   and name  HD1 ))   (( resid 73   and name  HZ2 )) 3.303 1.502 1.502 peak  3364 weight  1.00000E+00 volume  1.26735E+05 ppm1      7.300 ppm2      6.063

ASSI {115}   (( resid 73   and name  HB2 ))   (( resid 73   and name  HZ2 )) 3.181 1.481 4.661 peak  3370 weight  1.00000E+00 volume  1.53478E+05 ppm1      7.303 ppm2      2.560 !2

ASSI {116}   (( resid 87   and name  HE1 ))   (  resid 85   and name  HB# ) 3.113 1.313 1.313 peak  1420 weight  1.00000E+00 volume  7.19980E+05 ppm1      8.491 ppm2      0.154

ASSI {117}   (( resid 87   and name  HD2 ))   (  resid 85   and name  HB# ) 3.333 1.533 1.533 peak  2454 weight  1.00000E+00 volume  3.68679E+05 ppm1      7.179 ppm2      0.152

ASSI {118}   (( resid 87   and name  HD2 ))   (( resid 86   and name  HB  )) 3.351 1.651 3.551 peak  2452 weight  1.00000E+00 volume  1.31128E+05 ppm1      7.178 ppm2      1.566 !2

ASSI {119}   (( resid 87   and name  HD2 ))   (  resid 87   and name  HB# ) 2.471 0.671 0.671 peak  2451 weight  1.00000E+00 volume  1.67504E+06 ppm1      7.179 ppm2      3.063

ASSI {120}   (  resid 87   and name  HB# )   (( resid 87   and name  HE1 )) 3.192 1.393 1.393 peak  2713 weight  1.00000E+00 volume  2.29284E+05 ppm1      8.492 ppm2      3.051

ASSI {121}   (  resid 94   and name  HD# )   (  resid 94   and name  HE# ) 2.646 0.846 0.846 peak  1966 weight  1.00000E+00 volume  3.40179E+06 ppm1      6.642 ppm2      6.828

ASSI {122}   (  resid 94   and name  HD# )   (( resid 94   and name  HB2 )) 2.806 1.006 1.006 peak  1988 weight  1.00000E+00 volume  9.21810E+05 ppm1      6.647 ppm2      2.710

ASSI {123}   (  resid 94   and name  HD# )   (  resid 95   and name  HG# ) 3.649 1.949 2.719 peak  1995 weight  1.00000E+00 volume  1.13674E+05 ppm1      6.649 ppm2      1.251 !1

ASSI {124}   (( resid 94   and name  HB2 ))   (  resid 94   and name  HE# ) 3.027 1.327 1.688 peak  2123 weight  1.00000E+00 volume  4.90037E+05 ppm1      6.840 ppm2      2.708 !1

ASSI {125}   (  resid 99   and name  HD# )   (( resid 96   and name  HG11)) 3.487 1.787 4.077 peak  2770 weight  1.00000E+00 volume  1.59551E+05 ppm1      6.692 ppm2      0.900 !2

ASSI {126}   (  resid 99   and name  HE# )   (  resid 99   and name  HD# ) 3.583 1.783 1.783 peak  2163 weight  1.00000E+00 volume  2.50026E+05 ppm1      6.399 ppm2      6.674

ASSI {127}   (  resid 99   and name  HE# )   (( resid 99   and name  HZ  )) 3.271 1.471 1.471 peak  2171 weight  1.00000E+00 volume  2.72524E+05 ppm1      6.409 ppm2      5.562

ASSI {128}   (( resid 128  and name  HD2 ))   (( resid 102  and name  HA1 )) 2.852 1.152 2.162 peak  1648 weight  1.00000E+00 volume  4.09822E+05 ppm1      7.245 ppm2      3.867 !1

ASSI {129}   (( resid 128  and name  HE1 ))   (( resid 102  and name  HA2 )) 3.242 1.542 4.262 peak  2046 weight  1.00000E+00 volume  2.04580E+05 ppm1      8.561 ppm2      3.791 !1

ASSI {130}   (  resid 104  and name  HD# )   (( resid 103  and name  HB2 )) 3.24 1.54 2.72 peak  2357 weight  1.00000E+00 volume  2.54482E+05 ppm1      6.589 ppm2      2.375 !1

ASSI {131}   (  resid 104  and name  HE# )   (( resid 158  and name  HE  )) 3.537 1.837 2.836 peak  1905 weight  1.00000E+00 volume  1.35066E+05 ppm1      7.224 ppm2      7.510 !2

ASSI {132}   (  resid 104  and name  HE# )   (( resid 104  and name  HB1 )) 3.115 1.315 1.315 peak  1924 weight  1.00000E+00 volume  3.73054E+05 ppm1      7.225 ppm2      2.076

ASSI {133}   (  resid 99   and name  HE# )   (  resid 104  and name  HE# ) 3.837 2.037 2.037 peak  2166 weight  1.00000E+00 volume  1.77171E+05 ppm1      6.390 ppm2      7.206

ASSI {134}   (  resid 104  and name  HD# )   (( resid 104  and name  HZ  )) 3.114 1.314 1.314 peak  2340 weight  1.00000E+00 volume  3.95410E+05 ppm1      6.603 ppm2      6.856

ASSI {135}   (  resid 104  and name  HD# )   (( resid 104  and name  HB1 )) 3.016 1.216 1.216 peak  2358 weight  1.00000E+00 volume  5.14610E+05 ppm1      6.602 ppm2      2.069

ASSI {136}   (  resid 99   and name  HD# )   (( resid 104  and name  HZ  )) 3.337 1.637 4.307 peak  2760 weight  1.00000E+00 volume  2.13228E+05 ppm1      6.693 ppm2      6.864 !2

ASSI {137}   (  resid 99   and name  HD# )   (( resid 106  and name  HA2 )) 3.514 1.714 1.714 peak  2763 weight  1.00000E+00 volume  1.42180E+05 ppm1      6.686 ppm2      4.087

ASSI {138}   (  resid 109  and name  HE# )   (( resid 107  and name  HG2 )) 2.903 1.103 1.103 peak  2093 weight  1.00000E+00 volume  7.33793E+05 ppm1      6.942 ppm2      1.864
OR {138}   (  resid 109  and name  HE# )   (( resid 107  and name  HB2 ))

ASSI {139}   (( resid 107  and name  HB1 ))   (  resid 122  and name  HD# ) 3.168 1.468 4.458 peak  2601 weight  1.00000E+00 volume  3.31386E+05 ppm1      6.592 ppm2      2.064 !2

ASSI {140}   (  resid 109  and name  HD# )   (( resid 107  and name  HB2 )) 3.094 1.394 2.154 peak  2968 weight  1.00000E+00 volume  3.77801E+05 ppm1      7.007 ppm2      1.853 !1
OR {140}   (  resid 109  and name  HD# )   (( resid 107  and name  HG2 ))

ASSI {141}   (  resid 109  and name  HE# )   (  resid 108  and name  HB# ) 3.314 1.614 3.444 peak  2095 weight  1.00000E+00 volume  2.42175E+05 ppm1      6.942 ppm2      1.499 !2

ASSI {142}   (  resid 109  and name  HD# )   (  resid 122  and name  HE# ) 3.387 1.587 1.587 peak  1694 weight  1.00000E+00 volume  3.70811E+05 ppm1      6.996 ppm2      7.339

ASSI {143}   (  resid 109  and name  HD# )   (  resid 122  and name  HD# ) 3.234 1.434 1.434 peak  1700 weight  1.00000E+00 volume  5.55295E+05 ppm1      7.005 ppm2      6.595

ASSI {144}   (  resid 109  and name  HE# )   (  resid 109  and name  HD# ) 2.296 0.496 0.496 peak  2074 weight  1.00000E+00 volume  1.13054E+07 ppm1      6.944 ppm2      7.009

ASSI {145}   (  resid 109  and name  HE# )   (  resid 122  and name  HD# ) 3.343 1.542 1.542 peak  2080 weight  1.00000E+00 volume  4.34420E+05 ppm1      6.944 ppm2      6.595

ASSI {146}   (  resid 109  and name  HE# )   (  resid 124  and name  HG# ) 2.797 0.997 0.997 peak  2089 weight  1.00000E+00 volume  9.99771E+05 ppm1      6.943 ppm2      2.579

ASSI {147}   (  resid 109  and name  HE# )   (( resid 122  and name  HB2 )) 2.838 1.138 1.888 peak  2090 weight  1.00000E+00 volume  9.04934E+05 ppm1      6.943 ppm2      2.382 !1

ASSI {148}   (  resid 109  and name  HE# )   (( resid 124  and name  HB2 )) 3.337 1.637 2.487 peak  2091 weight  1.00000E+00 volume  2.41052E+05 ppm1      6.942 ppm2      2.212 !1

ASSI {149}   (  resid 109  and name  HD# )   (( resid 122  and name  HB1 )) 3.016 1.216 1.216 peak  2963 weight  1.00000E+00 volume  4.94596E+05 ppm1      7.005 ppm2      2.783

ASSI {150}   (( resid 98   and name  HG12))   (  resid 109  and name  HD# ) 2.992 1.292 3.382 peak  2970 weight  1.00000E+00 volume  5.49348E+05 ppm1      7.007 ppm2      1.376 !2

ASSI {151}   (  resid 109  and name  HD# )   (  resid 98   and name  HD1#) 3.37 1.57 1.57 peak  2974 weight  1.00000E+00 volume  6.23058E+05 ppm1      7.006 ppm2      0.306

ASSI {152}   (  resid 109  and name  HE# )   (( resid 122  and name  HB1 )) 3.04 1.24 1.24 peak  3149 weight  1.00000E+00 volume  4.64358E+05 ppm1      6.946 ppm2      2.796

ASSI {153}   (  resid 109  and name  HE# )   (  resid 98   and name  HD1#) 3.79 1.99 1.99 peak  3153 weight  1.00000E+00 volume  2.46248E+05 ppm1      6.945 ppm2      0.314

ASSI {154}   (  resid 122  and name  HE# )   (( resid 110  and name  HG1 )) 3.181 1.481 3.391 peak  1782 weight  1.00000E+00 volume  3.12304E+05 ppm1      7.346 ppm2      2.057 !1

ASSI {155}   (( resid 111  and name  HB  ))   (( resid 122  and name  HZ  )) 2.776 0.976 0.976 peak  1451 weight  1.00000E+00 volume  5.46659E+05 ppm1      7.161 ppm2      4.401

ASSI {156}   (  resid 111  and name  HG2#)   (( resid 122  and name  HZ  )) 3.058 1.258 1.258 peak  1457 weight  1.00000E+00 volume  6.73911E+05 ppm1      7.166 ppm2      1.455

ASSI {157}   (  resid 111  and name  HG2#)   (( resid 137  and name  HZ3 )) 3.813 2.113 2.853 peak  1760 weight  1.00000E+00 volume  1.09806E+05 ppm1      7.304 ppm2      1.471 !1

ASSI {158}   (( resid 173  and name  HZ  ))   (( resid 111  and name  HB  )) 3.352 1.652 3.392 peak  1866 weight  1.00000E+00 volume  1.13566E+05 ppm1      7.050 ppm2      4.390 !2

ASSI {159}   (  resid 94   and name  HD# )   (  resid 111  and name  HG2#) 4.111 2.311 2.311 peak  1994 weight  1.00000E+00 volume  1.30877E+05 ppm1      6.649 ppm2      1.456

ASSI {160}   (  resid 173  and name  HE# )   (( resid 111  and name  HB  )) 3.588 1.888 2.908 peak  2802 weight  1.00000E+00 volume  1.26700E+05 ppm1      7.243 ppm2      4.410 !1

ASSI {161}   (( resid 137  and name  HH2 ))   (  resid 112  and name  HG2#) 3.317 1.617 3.887 peak  1408 weight  1.00000E+00 volume  3.65049E+05 ppm1      6.910 ppm2      1.497 !3

ASSI {162}   (  resid 94   and name  HE# )   (( resid 113  and name  HG1 )) 3.429 1.729 2.979 peak  2125 weight  1.00000E+00 volume  1.80989E+05 ppm1      6.835 ppm2      2.333 !2

ASSI {163}   (( resid 113  and name  HB2 ))   (  resid 145  and name  HE# ) 2.95 1.25 4.3 peak  2994 weight  1.00000E+00 volume  6.17184E+05 ppm1      6.719 ppm2      1.955 !2

ASSI {164}   (  resid 94   and name  HD# )   (( resid 114  and name  HB1 )) 3.338 1.638 3.428 peak  1984 weight  1.00000E+00 volume  1.99729E+05 ppm1      6.638 ppm2      3.293 !2

ASSI {165}   (  resid 94   and name  HE# )   (( resid 114  and name  HB1 )) 3.402 1.702 2.293 peak  2119 weight  1.00000E+00 volume  1.67805E+05 ppm1      6.841 ppm2      3.314 !1

ASSI {166}   (  resid 94   and name  HE# )   (( resid 114  and name  HB2 )) 3.554 1.854 2.805 peak  2124 weight  1.00000E+00 volume  1.36977E+05 ppm1      6.838 ppm2      2.528 !1

ASSI {167}   (( resid 116  and name  HD2 ))   (  resid 173  and name  HE# ) 3.572 1.872 4.092 peak  1434 weight  1.00000E+00 volume  1.22442E+05 ppm1      7.245 ppm2      3.473 !2

ASSI {168}   (( resid 118  and name  HG11))   (( resid 173  and name  HZ  )) 3.163 1.463 3.443 peak  1871 weight  1.00000E+00 volume  1.79698E+05 ppm1      7.045 ppm2      1.063 !2

ASSI {169}   (( resid 123  and name  HE1 ))   (  resid 119  and name  HE# ) 3.409 1.709 4.269 peak  1601 weight  1.00000E+00 volume  1.73665E+05 ppm1      8.538 ppm2      1.927 !2
OR {169}   (( resid 123  and name  HE1 ))   (( resid 119  and name  HB1 ))

ASSI {170}   (( resid 122  and name  HZ  ))   (( resid 121  and name  HG1 )) 3.137 1.437 2.777 peak  1459 weight  1.00000E+00 volume  1.68672E+05 ppm1      7.165 ppm2      1.200 !2

ASSI {171}   (  resid 122  and name  HE# )   (( resid 121  and name  HE22)) 2.991 1.291 2.121 peak  1769 weight  1.00000E+00 volume  5.62110E+05 ppm1      7.348 ppm2      6.800 !1

ASSI {172}   (  resid 173  and name  HE# )   (  resid 122  and name  HE# ) 2.918 1.119 1.119 peak  1424 weight  1.00000E+00 volume  8.46770E+05 ppm1      7.253 ppm2      7.352

ASSI {173}   (  resid 122  and name  HE# )   (( resid 122  and name  HZ  )) 2.531 0.731 0.731 peak  1445 weight  1.00000E+00 volume  2.44515E+06 ppm1      7.163 ppm2      7.338

ASSI {174}   (  resid 122  and name  HD# )   (( resid 122  and name  HZ  )) 3.144 1.345 1.345 peak  1448 weight  1.00000E+00 volume  3.60159E+05 ppm1      7.164 ppm2      6.587

ASSI {175}   (  resid 98   and name  HD1#)   (( resid 122  and name  HZ  )) 3.742 1.942 1.942 peak  1461 weight  1.00000E+00 volume  1.30833E+05 ppm1      7.168 ppm2      0.318

ASSI {176}   (( resid 122  and name  HZ  ))   (  resid 96   and name  HG2#) 3.767 1.967 1.967 peak  1462 weight  1.00000E+00 volume  1.32627E+05 ppm1      7.154 ppm2     -0.460

ASSI {177}   (( resid 122  and name  HB1 ))   (( resid 123  and name  HE1 )) 3.354 1.654 4.744 peak  1600 weight  1.00000E+00 volume  1.12497E+05 ppm1      8.543 ppm2      2.768 !1

ASSI {178}   (  resid 122  and name  HD# )   (  resid 122  and name  HE# ) 2.822 1.022 1.022 peak  1770 weight  1.00000E+00 volume  1.90957E+06 ppm1      7.345 ppm2      6.586

ASSI {179}   (( resid 127  and name  HG11))   (  resid 122  and name  HE# ) 3.373 1.673 4.873 peak  1787 weight  1.00000E+00 volume  2.12402E+05 ppm1      7.347 ppm2      0.859 !3

ASSI {180}   (  resid 98   and name  HD1#)   (  resid 122  and name  HE# ) 3.684 1.984 2.954 peak  1789 weight  1.00000E+00 volume  2.97693E+05 ppm1      7.345 ppm2      0.306 !1

ASSI {181}   (( resid 173  and name  HZ  ))   (  resid 122  and name  HE# ) 2.976 1.176 1.176 peak  1863 weight  1.00000E+00 volume  5.22795E+05 ppm1      7.042 ppm2      7.348

ASSI {182}   (  resid 122  and name  HD# )   (  resid 127  and name  HD1#) 3.964 2.164 2.164 peak  2608 weight  1.00000E+00 volume  1.68958E+05 ppm1      6.590 ppm2      0.325

ASSI {183}   (  resid 124  and name  HE# )   (( resid 128  and name  HE1 )) 3.55 1.85 3.08 peak  2050 weight  1.00000E+00 volume  2.32547E+05 ppm1      8.565 ppm2      2.043 !2

ASSI {184}   (( resid 128  and name  HD2 ))   (( resid 126  and name  HB1 )) 2.628 0.928 3.868 peak  1656 weight  1.00000E+00 volume  8.73466E+05 ppm1      7.247 ppm2      1.995 !3

ASSI {185}   (  resid 139  and name  HD# )   (( resid 127  and name  HG11)) 3.29 1.59 2.55 peak  2324 weight  1.00000E+00 volume  2.27691E+05 ppm1      6.171 ppm2      0.852 !1

ASSI {186}   (  resid 173  and name  HD# )   (( resid 127  and name  HG11)) 3.425 1.725 2.695 peak  2563 weight  1.00000E+00 volume  1.78118E+05 ppm1      6.991 ppm2      0.846 !1

ASSI {187}   (( resid 128  and name  HD2 ))   (( resid 167  and name  HB1 )) 3.188 1.488 4.378 peak  1647 weight  1.00000E+00 volume  1.74382E+05 ppm1      7.252 ppm2      4.136 !2

ASSI {188}   (( resid 128  and name  HD2 ))   (( resid 160  and name  HD1 )) 2.748 0.948 0.948 peak  1649 weight  1.00000E+00 volume  5.29294E+05 ppm1      7.248 ppm2      3.421

ASSI {189}   (( resid 128  and name  HD2 ))   (( resid 168  and name  HD1 )) 3.14 1.34 1.34 peak  1651 weight  1.00000E+00 volume  1.79426E+05 ppm1      7.250 ppm2      3.659

ASSI {190}   (( resid 128  and name  HD2 ))   (( resid 128  and name  HB1 )) 2.744 0.9445 0.9445 peak  1654 weight  1.00000E+00 volume  5.97436E+05 ppm1      7.248 ppm2      2.451

ASSI {191}   (( resid 128  and name  HD2 ))   (( resid 160  and name  HG1 )) 2.862 1.062 1.062 peak  1658 weight  1.00000E+00 volume  3.88523E+05 ppm1      7.250 ppm2      1.750

ASSI {192}   (( resid 128  and name  HB2 ))   (( resid 163  and name  HH2 )) 3.369 1.568 1.568 peak  1885 weight  1.00000E+00 volume  1.22053E+05 ppm1      6.524 ppm2      3.158

ASSI {193}   (( resid 128  and name  HB2 ))   (( resid 128  and name  HE1 )) 3.222 1.422 1.422 peak  2047 weight  1.00000E+00 volume  1.59825E+05 ppm1      8.566 ppm2      3.164

ASSI {194}   (( resid 168  and name  HB2 ))   (( resid 128  and name  HE1 )) 2.547 0.847 1.498 peak  2052 weight  1.00000E+00 volume  1.32739E+06 ppm1      8.565 ppm2      1.664 !1
OR {194}   (( resid 128  and name  HE1 ))   (( resid 168  and name  HG2 ))

ASSI {195}   (( resid 168  and name  HB1 ))   (( resid 128  and name  HE1 )) 3.07 1.37 2.11 peak  2055 weight  1.00000E+00 volume  2.48158E+05 ppm1      8.564 ppm2      1.230 !1

ASSI {196}   (( resid 163  and name  HZ3 ))   (( resid 129  and name  HB2 )) 3.332 1.632 2.702 peak  1959 weight  1.00000E+00 volume  1.32113E+05 ppm1      6.469 ppm2      4.519 !2

ASSI {197}   (  resid 99   and name  HD# )   (( resid 129  and name  HB1 )) 3.551 1.851 2.262 peak  2762 weight  1.00000E+00 volume  1.30494E+05 ppm1      6.688 ppm2      4.280 !1

ASSI {198}   (( resid 130  and name  HB2 ))   (( resid 139  and name  HZ  )) 3.226 1.425 1.425 peak  1403 weight  1.00000E+00 volume  1.39459E+05 ppm1      6.259 ppm2      3.023

ASSI {199}   (( resid 163  and name  HZ3 ))   (( resid 130  and name  HB1 )) 3.353 1.553 1.553 peak  1963 weight  1.00000E+00 volume  1.03744E+05 ppm1      6.463 ppm2      2.821

ASSI {200}   (  resid 94   and name  HD# )   (( resid 134  and name  HG1 )) 3.394 1.694 2.104 peak  1989 weight  1.00000E+00 volume  1.87944E+05 ppm1      6.640 ppm2      2.187 !1

ASSI {201}   (  resid 94   and name  HD# )   (( resid 134  and name  HB1 )) 3.168 1.369 1.369 peak  1992 weight  1.00000E+00 volume  3.30907E+05 ppm1      6.644 ppm2      1.603

ASSI {202}   (  resid 94   and name  HE# )   (( resid 134  and name  HG1 )) 3.495 1.795 3.345 peak  2126 weight  1.00000E+00 volume  1.35121E+05 ppm1      6.835 ppm2      2.187 !2

ASSI {203}   (  resid 94   and name  HD# )   (  resid 136  and name  HG1#) 3.886 2.186 3.846 peak  1997 weight  1.00000E+00 volume  1.80265E+05 ppm1      6.641 ppm2      0.967 !2

ASSI {204}   (  resid 94   and name  HE# )   (( resid 136  and name  HB  )) 2.974 1.274 5.144 peak  2128 weight  1.00000E+00 volume  5.67951E+05 ppm1      6.838 ppm2      1.817 !2

ASSI {205}   (( resid 137  and name  HH2 ))   (( resid 137  and name  HZ2 )) 2.67 0.87 0.87 peak  1398 weight  1.00000E+00 volume  7.50888E+05 ppm1      6.912 ppm2      7.070

ASSI {206}   (( resid 137  and name  HH2 ))   (( resid 137  and name  HE3 )) 2.788 1.088 1.758 peak  1399 weight  1.00000E+00 volume  4.90164E+05 ppm1      6.917 ppm2      7.291 !1

ASSI {207}   (( resid 137  and name  HH2 ))   (( resid 94   and name  HB1 )) 3.095 1.395 2.675 peak  1407 weight  1.00000E+00 volume  2.08054E+05 ppm1      6.907 ppm2      2.767 !1

ASSI {208}   (( resid 137  and name  HH2 ))   (  resid 96   and name  HG2#) 3.507 1.707 1.707 peak  1412 weight  1.00000E+00 volume  2.34340E+05 ppm1      6.915 ppm2     -0.427

ASSI {209}   (  resid 173  and name  HD# )   (( resid 137  and name  HZ3 )) 3.029 1.329 3.609 peak  1755 weight  1.00000E+00 volume  4.72702E+05 ppm1      7.299 ppm2      6.999 !2

ASSI {210}   (( resid 137  and name  HD1 ))   (( resid 137  and name  HZ3 )) 2.809 1.009 1.009 peak  1756 weight  1.00000E+00 volume  4.39613E+05 ppm1      7.301 ppm2      6.922
OR {210}   (( resid 137  and name  HH2 ))   (( resid 137  and name  HZ3 ))

ASSI {211}   (( resid 175  and name  HB1 ))   (( resid 137  and name  HZ3 )) 3.369 1.669 2.078 peak  1762 weight  1.00000E+00 volume  1.13288E+05 ppm1      7.322 ppm2      0.816 !1

ASSI {212}   (( resid 137  and name  HZ3 ))   (  resid 96   and name  HG2#) 3.756 1.956 1.956 peak  1763 weight  1.00000E+00 volume  1.36647E+05 ppm1      7.314 ppm2     -0.447

ASSI {213}   (( resid 137  and name  HH2 ))   (( resid 173  and name  HZ  )) 3.037 1.337 2.226 peak  1864 weight  1.00000E+00 volume  2.05970E+05 ppm1      7.052 ppm2      6.902 !1

ASSI {214}   (  resid 94   and name  HD# )   (( resid 137  and name  HZ2 )) 3.154 1.454 2.823 peak  1967 weight  1.00000E+00 volume  3.39449E+05 ppm1      6.644 ppm2      7.063 !2

ASSI {215}   (( resid 137  and name  HD1 ))   (( resid 137  and name  HE3 )) 3.204 1.504 1.974 peak  2212 weight  1.00000E+00 volume  1.52191E+05 ppm1      6.894 ppm2      7.316 !1
OR {215}   (( resid 137  and name  HD1 ))   (( resid 137  and name  HZ3 ))

ASSI {216}   (( resid 137  and name  HD1 ))   (( resid 137  and name  HE1 )) 2.768 0.9685 0.9685 peak  2215 weight  1.00000E+00 volume  5.35367E+05 ppm1      6.898 ppm2      9.068

ASSI {217}   (( resid 137  and name  HD1 ))   (( resid 137  and name  HB2 )) 2.952 1.152 1.152 peak  2220 weight  1.00000E+00 volume  3.05201E+05 ppm1      6.897 ppm2      2.601

ASSI {218}   (( resid 137  and name  HD1 ))   (( resid 98   and name  HG11)) 2.806 1.106 6.976 peak  2224 weight  1.00000E+00 volume  4.99595E+05 ppm1      6.899 ppm2      0.710 !2

ASSI {219}   (  resid 173  and name  HD# )   (( resid 137  and name  HE3 )) 2.709 1.009 4.139 peak  2544 weight  1.00000E+00 volume  1.28955E+06 ppm1      6.984 ppm2      7.289 !2

ASSI {220}   (  resid 173  and name  HE# )   (( resid 137  and name  HZ2 )) 3.328 1.528 1.528 peak  2714 weight  1.00000E+00 volume  2.26397E+05 ppm1      7.075 ppm2      7.277

ASSI {221}   (( resid 137  and name  HZ2 ))   (( resid 137  and name  HE1 )) 2.875 1.075 1.075 peak  2718 weight  1.00000E+00 volume  3.50487E+05 ppm1      7.078 ppm2      9.067

ASSI {222}   (( resid 137  and name  HZ2 ))   (  resid 175  and name  HD# ) 2.717 1.017 5.117 peak  2724 weight  1.00000E+00 volume  6.52576E+05 ppm1      7.076 ppm2      2.795 !4

ASSI {223}   (( resid 94   and name  HB2 ))   (( resid 137  and name  HZ2 )) 2.799 1.099 6.199 peak  2725 weight  1.00000E+00 volume  4.91465E+05 ppm1      7.076 ppm2      2.702 !3

ASSI {224}   (( resid 137  and name  HZ2 ))   (( resid 96   and name  HG11)) 3.356 1.656 3.016 peak  2730 weight  1.00000E+00 volume  8.86120E+04 ppm1      7.073 ppm2      0.897 !1

ASSI {225}   (( resid 137  and name  HZ2 ))   (( resid 96   and name  HB  )) 3.396 1.596 1.596 peak  2731 weight  1.00000E+00 volume  1.06334E+05 ppm1      7.081 ppm2      0.065

ASSI {226}   (( resid 137  and name  HZ2 ))   (  resid 96   and name  HG2#) 3.415 1.615 1.615 peak  2732 weight  1.00000E+00 volume  2.89750E+05 ppm1      7.076 ppm2     -0.429

ASSI {227}   (  resid 138  and name  HD1#)   (  resid 139  and name  HD# ) 3.759 2.059 2.779 peak  2323 weight  1.00000E+00 volume  2.39818E+05 ppm1      6.167 ppm2      0.772 !1

ASSI {228}   (( resid 163  and name  HD1 ))   (( resid 139  and name  HB1 )) 3.265 1.565 3.025 peak  1858 weight  1.00000E+00 volume  1.38408E+05 ppm1      6.198 ppm2      3.042 !2

ASSI {229}   (  resid 139  and name  HE# )   (( resid 163  and name  HH2 )) 3.568 1.768 1.768 peak  1881 weight  1.00000E+00 volume  1.25578E+05 ppm1      6.507 ppm2      5.457

ASSI {230}   (( resid 139  and name  HZ  ))   (  resid 94   and name  HE# ) 3.147 1.447 5.598 peak  2109 weight  1.00000E+00 volume  3.58498E+05 ppm1      6.839 ppm2      6.247 !2

ASSI {231}   (  resid 150  and name  HE# )   (( resid 139  and name  HB1 )) 3.279 1.579 2.458 peak  2246 weight  1.00000E+00 volume  2.54931E+05 ppm1      6.709 ppm2      3.044 !1

ASSI {232}   (  resid 139  and name  HD# )   (( resid 173  and name  HB2 )) 3.142 1.342 1.342 peak  2319 weight  1.00000E+00 volume  3.59753E+05 ppm1      6.169 ppm2      3.529

ASSI {233}   (  resid 139  and name  HD# )   (( resid 139  and name  HB2 )) 3.164 1.364 1.364 peak  2320 weight  1.00000E+00 volume  3.49576E+05 ppm1      6.170 ppm2      2.982

ASSI {234}   (  resid 170  and name  HG1#)   (  resid 139  and name  HD# ) 3.667 1.866 1.866 peak  2325 weight  1.00000E+00 volume  3.27384E+05 ppm1      6.164 ppm2      0.467

ASSI {235}   (  resid 139  and name  HD# )   (  resid 96   and name  HD1#) 3.913 2.113 2.113 peak  2327 weight  1.00000E+00 volume  1.87844E+05 ppm1      6.174 ppm2     -0.536

ASSI {236}   (  resid 139  and name  HE# )   (  resid 139  and name  HD# ) 3.014 1.214 1.214 peak  2521 weight  1.00000E+00 volume  9.95135E+05 ppm1      5.452 ppm2      6.162

ASSI {237}   (  resid 139  and name  HE# )   (( resid 139  and name  HZ  )) 2.945 1.145 1.145 peak  2522 weight  1.00000E+00 volume  5.79677E+05 ppm1      5.458 ppm2      6.267

ASSI {238}   (  resid 139  and name  HE# )   (  resid 173  and name  HD# ) 3.818 2.018 2.018 peak  2523 weight  1.00000E+00 volume  1.48849E+05 ppm1      5.455 ppm2      6.999

ASSI {239}   (  resid 139  and name  HE# )   (( resid 173  and name  HB2 )) 3.489 1.689 1.689 peak  2524 weight  1.00000E+00 volume  1.57203E+05 ppm1      5.454 ppm2      3.528

ASSI {240}   (  resid 139  and name  HE# )   (( resid 174  and name  HB1 )) 3.712 2.012 5.392 peak  2527 weight  1.00000E+00 volume  1.52712E+05 ppm1      5.455 ppm2      1.651 !2

ASSI {241}   (  resid 139  and name  HE# )   (( resid 98   and name  HG11)) 3.531 1.831 2.501 peak  2530 weight  1.00000E+00 volume  1.26838E+05 ppm1      5.454 ppm2      0.714 !1

ASSI {242}   (  resid 173  and name  HD# )   (  resid 139  and name  HD# ) 3.604 1.804 1.804 peak  2549 weight  1.00000E+00 volume  2.28441E+05 ppm1      6.990 ppm2      6.170

ASSI {243}   (( resid 163  and name  HZ2 ))   (  resid 139  and name  HD# ) 3.318 1.618 2.078 peak  2740 weight  1.00000E+00 volume  2.33754E+05 ppm1      7.285 ppm2      6.163 !1

ASSI {244}   (  resid 139  and name  HE# )   (( resid 163  and name  HZ2 )) 3.469 1.669 1.669 peak  2742 weight  1.00000E+00 volume  1.69517E+05 ppm1      7.289 ppm2      5.452

ASSI {245}   (  resid 150  and name  HE# )   (( resid 140  and name  HB1 )) 3.235 1.535 4.625 peak  2244 weight  1.00000E+00 volume  2.84444E+05 ppm1      6.707 ppm2      3.602 !2

ASSI {246}   (  resid 145  and name  HD# )   (  resid 140  and name  HD# ) 3.504 1.704 1.704 peak  2288 weight  1.00000E+00 volume  2.85474E+05 ppm1      6.694 ppm2      7.121

ASSI {247}   (  resid 150  and name  HE# )   (( resid 141  and name  HG1 )) 3.237 1.437 1.437 peak  2248 weight  1.00000E+00 volume  2.81104E+05 ppm1      6.719 ppm2      2.652

ASSI {248}   (  resid 145  and name  HD# )   (( resid 144  and name  HD21)) 3.504 1.804 3.284 peak  2289 weight  1.00000E+00 volume  1.56117E+05 ppm1      6.710 ppm2      7.387 !2

ASSI {249}   (  resid 145  and name  HD# )   (  resid 172  and name  HB# ) 3.115 1.415 1.825 peak  2300 weight  1.00000E+00 volume  3.94512E+05 ppm1      6.693 ppm2      4.223 !1

ASSI {250}   (  resid 145  and name  HD# )   (( resid 145  and name  HB1 )) 2.841 1.042 1.042 peak  2305 weight  1.00000E+00 volume  8.35043E+05 ppm1      6.693 ppm2      2.940

ASSI {251}   (( resid 174  and name  HB2 ))   (  resid 145  and name  HE# ) 3.032 1.232 1.232 peak  2995 weight  1.00000E+00 volume  4.81144E+05 ppm1      6.720 ppm2      1.721

ASSI {252}   (  resid 145  and name  HE# )   (( resid 174  and name  HG1 )) 3.233 1.533 2.243 peak  2996 weight  1.00000E+00 volume  2.74090E+05 ppm1      6.721 ppm2      1.555 !1

ASSI {253}   (  resid 58   and name  HD# )   (( resid 148  and name  HD1 )) 3.104 1.404 2.114 peak  2151 weight  1.00000E+00 volume  4.24940E+05 ppm1      7.221 ppm2      3.125 !1

ASSI {254}   (  resid 150  and name  HE# )   (( resid 148  and name  HB2 )) 3.174 1.474 2.754 peak  2252 weight  1.00000E+00 volume  3.36838E+05 ppm1      6.716 ppm2      1.658 !2

ASSI {255}   (  resid 58   and name  HE# )   (( resid 148  and name  HD1 )) 2.931 1.231 2.841 peak  2432 weight  1.00000E+00 volume  6.38510E+05 ppm1      6.833 ppm2      3.130 !2

ASSI {256}   (( resid 163  and name  HD1 ))   (( resid 150  and name  HB1 )) 2.811 1.111 1.81 peak  1859 weight  1.00000E+00 volume  4.67980E+05 ppm1      6.208 ppm2      2.530 !1

ASSI {257}   (  resid 58   and name  HD# )   (  resid 150  and name  HE# ) 3.199 1.499 3.568 peak  2229 weight  1.00000E+00 volume  5.98443E+05 ppm1      6.720 ppm2      7.222 !2

ASSI {258}   (( resid 163  and name  HD1 ))   (  resid 150  and name  HE# ) 3.28 1.48 1.48 peak  2237 weight  1.00000E+00 volume  2.45793E+05 ppm1      6.714 ppm2      6.206

ASSI {259}   (  resid 150  and name  HE# )   (( resid 164  and name  HA1 )) 2.878 1.178 3.638 peak  2242 weight  1.00000E+00 volume  7.28551E+05 ppm1      6.715 ppm2      4.545 !1

ASSI {260}   (( resid 167  and name  HB1 ))   (  resid 150  and name  HE# ) 3.628 1.928 3.868 peak  2243 weight  1.00000E+00 volume  1.08897E+05 ppm1      6.717 ppm2      4.140 !3

ASSI {261}   (  resid 99   and name  HD# )   (  resid 156  and name  HB# ) 3.214 1.514 6.104 peak  2768 weight  1.00000E+00 volume  2.96078E+05 ppm1      6.688 ppm2      1.931 !3

ASSI {262}   (( resid 163  and name  HZ3 ))   (( resid 157  and name  HB1 )) 3.061 1.361 3.211 peak  1962 weight  1.00000E+00 volume  2.25624E+05 ppm1      6.462 ppm2      3.182 !3

ASSI {263}   (( resid 163  and name  HE3 ))   (( resid 157  and name  HB1 )) 2.851 1.151 3.42 peak  2033 weight  1.00000E+00 volume  3.91537E+05 ppm1      7.096 ppm2      3.185 !3

ASSI {264}   (( resid 160  and name  HG1 ))   (( resid 163  and name  HH2 )) 3.035 1.335 3.706 peak  1887 weight  1.00000E+00 volume  2.36402E+05 ppm1      6.507 ppm2      1.730 !2

ASSI {265}   (( resid 163  and name  HZ2 ))   (( resid 160  and name  HG1 )) 2.96 1.26 3.16 peak  2744 weight  1.00000E+00 volume  2.90510E+05 ppm1      7.290 ppm2      1.744 !2

ASSI {266}   (( resid 163  and name  HE3 ))   (( resid 163  and name  HD1 )) 2.998 1.298 2.308 peak  1848 weight  1.00000E+00 volume  2.78910E+05 ppm1      6.210 ppm2      7.085 !1

ASSI {267}   (( resid 163  and name  HE3 ))   (( resid 163  and name  HH2 )) 3.142 1.342 1.342 peak  1876 weight  1.00000E+00 volume  1.82089E+05 ppm1      6.507 ppm2      7.093

ASSI {268}   (( resid 163  and name  HH2 ))   (( resid 168  and name  HB1 )) 3.211 1.511 1.951 peak  1889 weight  1.00000E+00 volume  1.63895E+05 ppm1      6.505 ppm2      1.218 !1

ASSI {269}   (( resid 163  and name  HZ3 ))   (( resid 163  and name  HE3 )) 2.859 1.059 1.059 peak  1954 weight  1.00000E+00 volume  4.14493E+05 ppm1      6.469 ppm2      7.093

ASSI {270}   (( resid 163  and name  HZ3 ))   (( resid 163  and name  HZ2 )) 3.415 1.615 1.615 peak  1955 weight  1.00000E+00 volume  9.75276E+04 ppm1      6.468 ppm2      7.289

ASSI {271}   (( resid 163  and name  HZ2 ))   (( resid 163  and name  HH2 )) 2.606 0.806 0.806 peak  2739 weight  1.00000E+00 volume  9.58050E+05 ppm1      7.287 ppm2      6.507

ASSI {272}   (  resid 170  and name  HG1#)   (( resid 163  and name  HZ2 )) 3.779 1.979 1.979 peak  2750 weight  1.00000E+00 volume  1.28014E+05 ppm1      7.285 ppm2      0.482

ASSI {273}   (  resid 165  and name  HB# )   (( resid 163  and name  HD1 )) 2.99 1.191 1.191 peak  3056 weight  1.00000E+00 volume  8.49692E+05 ppm1      6.212 ppm2      0.829

ASSI {274}   (  resid 170  and name  HG1#)   (  resid 173  and name  HE# ) 3.675 1.975 3.214 peak  1443 weight  1.00000E+00 volume  2.79743E+05 ppm1      7.252 ppm2      0.463 !2

ASSI {275}   (  resid 170  and name  HG1#)   (  resid 173  and name  HD# ) 3.763 2.063 2.492 peak  2565 weight  1.00000E+00 volume  2.43584E+05 ppm1      6.987 ppm2      0.471 !1

ASSI {276}   (( resid 175  and name  HB1 ))   (  resid 173  and name  HE# ) 3.41 1.71 3.161 peak  1440 weight  1.00000E+00 volume  1.68642E+05 ppm1      7.254 ppm2      0.820 !1

ASSI {277}   (  resid 173  and name  HE# )   (( resid 173  and name  HZ  )) 2.749 0.949 0.949 peak  1862 weight  1.00000E+00 volume  1.16729E+06 ppm1      7.041 ppm2      7.244

ASSI {278}   (( resid 173  and name  HZ  ))   (  resid 98   and name  HD1#) 3.376 1.576 1.576 peak  1872 weight  1.00000E+00 volume  3.06282E+05 ppm1      7.038 ppm2      0.304

ASSI {279}   (( resid 173  and name  HZ  ))   (  resid 96   and name  HG2#) 3.596 1.796 1.796 peak  1873 weight  1.00000E+00 volume  1.96079E+05 ppm1      7.043 ppm2     -0.442

ASSI {280}   (  resid 173  and name  HD# )   (( resid 173  and name  HB1 )) 3.268 1.468 1.468 peak  2554 weight  1.00000E+00 volume  2.52790E+05 ppm1      6.990 ppm2      3.768

ASSI {281}   (  resid 173  and name  HD# )   (( resid 174  and name  HB1 )) 3.505 1.705 1.705 peak  2560 weight  1.00000E+00 volume  1.37534E+05 ppm1      6.981 ppm2      1.663

ASSI {282}   (  resid 173  and name  HD# )   (  resid 96   and name  HG2#) 4.015 2.215 2.215 peak  2567 weight  1.00000E+00 volume  1.42284E+05 ppm1      6.985 ppm2     -0.458

ASSI {283}   (  resid 173  and name  HE# )   (  resid 94   and name  HE# ) 3.15 1.35 1.35 peak  3154 weight  1.00000E+00 volume  5.79511E+05 ppm1      6.841 ppm2      7.241

ASSI {284}   (  resid 94   and name  HE# )   (( resid 174  and name  HG2 )) 3.595 1.895 4.264 peak  2132 weight  1.00000E+00 volume  1.10028E+05 ppm1      6.837 ppm2      1.292 !2

ASSI {285}   (  resid 94   and name  HD# )   (  resid 175  and name  HD# ) 2.765 1.065 2.035 peak  1987 weight  1.00000E+00 volume  1.06677E+06 ppm1      6.644 ppm2      2.789 !2

ASSI {286}   (  resid 94   and name  HE# )   (  resid 175  and name  HD# ) 2.99 1.191 1.191 peak  2122 weight  1.00000E+00 volume  5.47723E+05 ppm1      6.836 ppm2      2.786

ASSI {287}   (( resid 175  and name  HB2 ))   (  resid 94   and name  HE# ) 3.248 1.449 1.449 peak  2137 weight  1.00000E+00 volume  2.89669E+05 ppm1      6.828 ppm2      0.176

ASSI {288}   (  resid 94   and name  HE# )   (( resid 176  and name  HB  )) 3.059 1.359 2.559 peak  2130 weight  1.00000E+00 volume  4.40262E+05 ppm1      6.840 ppm2      1.625 !1

ASSI {289}   (  resid 94   and name  HD# )   (  resid 177  and name  HG# ) 3.471 1.771 3.001 peak  1998 weight  1.00000E+00 volume  4.88851E+05 ppm1      6.648 ppm2      0.575 !2

ASSI {290}   (  resid 94   and name  HE# )   (  resid 177  and name  HG# ) 3.251 1.551 3.041 peak  2136 weight  1.00000E+00 volume  8.15335E+05 ppm1      6.839 ppm2      0.582 !2

!ASSI {291}   (  resid 70   and name  HE# )   (( resid 76   and name  HB2 )) 3.603 1.903 4.602 peak  2284 weight  1.00000E+00 volume  1.12818E+05 ppm1      6.516 ppm2      1.437 !3

!ASSI {292}   (  resid 104  and name  HD# )   (( resid 159  and name  HG1 )) 3.391 1.691 5.181 peak  2362 weight  1.00000E+00 volume  2.01074E+05 ppm1      6.591 ppm2      1.194 !4

!ASSI {293}   (( resid 29   and name  HB2 ))   (  resid 33   and name  HD# ) 3.105 1.405 5.045 peak  1529 weight  1.00000E+00 volume  3.66480E+05 ppm1      6.752 ppm2      2.683 !3

!ASSI {294}   (( resid 47   and name  HD1 ))   (( resid 65   and name  HA1 )) 3.241 1.541 5.981 peak  2678 weight  1.00000E+00 volume  1.58823E+05 ppm1      6.969 ppm2      3.886 !3

!ASSI {295}   (  resid 58   and name  HE# )   (( resid 57   and name  HA1 )) 2.982 1.282 5.053 peak  2426 weight  1.00000E+00 volume  5.63862E+05 ppm1      6.834 ppm2      4.287 !4

!ASSI {296}   (( resid 137  and name  HZ2 ))   (( resid 118  and name  HG12)) 2.963 1.263 5.593 peak  2726 weight  1.00000E+00 volume  2.98338E+05 ppm1      7.076 ppm2      1.516 !4

!ASSI {297}   (( resid 160  and name  HB1 ))   (  resid 150  and name  HE# ) 3.558 1.858 5.378 peak  2254 weight  1.00000E+00 volume  1.22808E+05 ppm1      6.716 ppm2      1.007 !4

!ASSI {298}   (  resid 104  and name  HD# )   (( resid 157  and name  HB2 )) 3.249 1.549 4.859 peak  2355 weight  1.00000E+00 volume  2.41048E+05 ppm1      6.598 ppm2      2.783 !4

!ASSI {299}   (( resid 130  and name  HB1 ))   (  resid 122  and name  HE# ) 3.154 1.454 7.253 peak  1779 weight  1.00000E+00 volume  3.64608E+05 ppm1      7.340 ppm2      2.809 !4

!ASSI {300}   (  resid 10   and name  HD# )   (( resid 78   and name  HB1 )) 3.258 1.558 6.718 peak  1682 weight  1.00000E+00 volume  2.61321E+05 ppm1      6.542 ppm2      2.592 !3

!ASSI {301}   (  resid 30   and name  HE# )   (( resid 53   and name  HD2 )) 3.361 1.661 5.061 peak  2175 weight  1.00000E+00 volume  2.44208E+05 ppm1      6.385 ppm2      3.589 !2

!ASSI {302}   (( resid 55   and name  HZ  ))   (( resid 54   and name  HD22)) 2.835 1.135 7.124 peak  1565 weight  1.00000E+00 volume  4.77212E+05 ppm1      7.187 ppm2      6.815 !3

!ASSI {303}   (( resid 87   and name  HD2 ))   (( resid 135  and name  HA1 )) 3.2 1.5 4.97 peak  2450 weight  1.00000E+00 volume  1.55370E+05 ppm1      7.181 ppm2      3.234 !3

!ASSI {304}   (  resid 10   and name  HD# )   (( resid 36   and name  HG2 )) 3.647 1.947 4.747 peak  1687 weight  1.00000E+00 volume  1.02044E+05 ppm1      6.552 ppm2      1.545 !2

!ASSI {305}   (  resid 104  and name  HD# )   (( resid 98   and name  HG12)) 3.442 1.742 5.282 peak  2361 weight  1.00000E+00 volume  1.79842E+05 ppm1      6.594 ppm2      1.355 !3

!ASSI {306}   (  resid 145  and name  HD# )   (( resid 74   and name  HG1 )) 3.474 1.774 5.614 peak  2307 weight  1.00000E+00 volume  1.51914E+05 ppm1      6.698 ppm2      2.594 !3

!ASSI {307}   (  resid 30   and name  HD# )   (( resid 19   and name  HG1 )) 3.454 1.754 7.434 peak  2384 weight  1.00000E+00 volume  1.53052E+05 ppm1      6.866 ppm2      1.932 !4

!ASSI {308}   (( resid 73   and name  HZ3 ))   (( resid 69   and name  HB1 )) 3.143 1.443 7.603 peak  2205 weight  1.00000E+00 volume  1.62666E+05 ppm1      6.661 ppm2      1.766 !3

!ASSI {309}   (  resid 58   and name  HE# )   (( resid 149  and name  HG1 )) 3.081 1.381 7.641 peak  2436 weight  1.00000E+00 volume  3.84213E+05 ppm1      6.838 ppm2      2.510 !4

!ASSI {310}   (( resid 73   and name  HZ2 ))   (( resid 83   and name  HB1 )) 3.325 1.625 7.735 peak  3367 weight  1.00000E+00 volume  1.19690E+05 ppm1      7.303 ppm2      3.633 !3

ASSI {0}   (( resid 30   and name  HZ  ))   (( resid 10   and name  HN  )) 3.222 1.522 2.242 peak   187 weight  1.00000E+00 volume  9.15374E+04 ppm1      5.778 ppm2      8.667 !1

ASSI {1}   (  resid 16   and name  HE# )   (( resid 67   and name  HA  )) 3.304 1.504 1.504 peak   151 weight  1.00000E+00 volume  1.66794E+05 ppm1      7.280 ppm2      5.186

ASSI {2}   (  resid 16   and name  HE# )   (( resid 68   and name  HA  )) 3.094 1.294 1.294 peak   157 weight  1.00000E+00 volume  2.74281E+05 ppm1      7.279 ppm2      3.707

ASSI {3}   (  resid 21   and name  HE# )   (( resid 8    and name  HN  )) 3.401 1.701 4.291 peak   545 weight  1.00000E+00 volume  1.45806E+05 ppm1      6.336 ppm2      8.494 !2

ASSI {4}   (( resid 47   and name  HH2 ))   (( resid 26   and name  HN  )) 3.012 1.212 1.212 peak   500 weight  1.00000E+00 volume  1.71638E+05 ppm1      6.656 ppm2      8.186

ASSI {5}   (( resid 31   and name  HD2 ))   (( resid 32   and name  HN  )) 3.131 1.331 1.331 peak  1141 weight  1.00000E+00 volume  1.27067E+05 ppm1      7.130 ppm2      7.660

ASSI {6}   (( resid 47   and name  HD1 ))   (( resid 45   and name  HN  )) 3.151 1.35 1.35 peak  1275 weight  1.00000E+00 volume  1.10128E+05 ppm1      6.965 ppm2      8.118

ASSI {7}   (( resid 47   and name  HZ2 ))   (( resid 9    and name  HN  )) 2.976 1.276 5.096 peak   668 weight  1.00000E+00 volume  2.02477E+05 ppm1      6.958 ppm2      8.383 !2

ASSI {8}   (  resid 55   and name  HE# )   (( resid 83   and name  HN  )) 3.218 1.418 1.418 peak  1380 weight  1.00000E+00 volume  1.90016E+05 ppm1      7.400 ppm2      9.729

ASSI {9}   (  resid 70   and name  HD# )   (( resid 69   and name  HN  )) 3.314 1.614 2.934 peak   424 weight  1.00000E+00 volume  1.41538E+05 ppm1      6.586 ppm2      6.936 !2

ASSI {10}   (  resid 70   and name  HE# )   (( resid 72   and name  HN  )) 3.423 1.723 3.253 peak   871 weight  1.00000E+00 volume  1.33375E+05 ppm1      6.519 ppm2      8.008 !2

ASSI {11}   (  resid 70   and name  HE# )   (( resid 77   and name  HA  )) 2.909 1.209 2.679 peak   880 weight  1.00000E+00 volume  4.74058E+05 ppm1      6.514 ppm2      3.627 !3

ASSI {12}   (( resid 73   and name  HZ3 ))   (( resid 76   and name  HN  )) 3.15 1.45 4.05 peak   800 weight  1.00000E+00 volume  1.31772E+05 ppm1      6.665 ppm2      7.515 !2

ASSI {13}   (( resid 73   and name  HZ3 ))   (( resid 78   and name  HA  )) 3.261 1.561 3.391 peak   804 weight  1.00000E+00 volume  8.92334E+04 ppm1      6.666 ppm2      4.594 !2

ASSI {14}   (( resid 73   and name  HZ2 ))   (( resid 80   and name  HN  )) 2.989 1.289 3.509 peak  1106 weight  1.00000E+00 volume  1.98378E+05 ppm1      7.305 ppm2      7.119 !2

ASSI {15}   (( resid 73   and name  HZ2 ))   (( resid 73   and name  HA  )) 3.08 1.38 4.96 peak  1112 weight  1.00000E+00 volume  1.31465E+05 ppm1      7.301 ppm2      5.289 !2

ASSI {16}   (( resid 87   and name  HE1 ))   (( resid 87   and name  HA  )) 3.098 1.398 3.068 peak  1319 weight  1.00000E+00 volume  1.62552E+05 ppm1      8.491 ppm2      4.631 !2

ASSI {17}   (  resid 109  and name  HE# )   (( resid 100  and name  HN  )) 3.564 1.864 3.434 peak   686 weight  1.00000E+00 volume  7.45097E+04 ppm1      6.935 ppm2      8.899 !2

ASSI {18}   (  resid 104  and name  HE# )   (( resid 131  and name  HA  )) 3.51 1.71 1.71 peak   519 weight  1.00000E+00 volume  9.51802E+04 ppm1      7.231 ppm2      5.207

ASSI {19}   (  resid 104  and name  HD# )   (( resid 131  and name  HA  )) 3.423 1.623 1.623 peak   955 weight  1.00000E+00 volume  1.02338E+05 ppm1      6.605 ppm2      5.209

ASSI {20}   (  resid 109  and name  HD# )   (( resid 108  and name  HA  )) 3.142 1.442 2.062 peak   311 weight  1.00000E+00 volume  2.47630E+05 ppm1      7.006 ppm2      4.970 !1

ASSI {21}   (  resid 109  and name  HD# )   (( resid 109  and name  HN  )) 3.034 1.234 1.234 peak   302 weight  1.00000E+00 volume  3.25331E+05 ppm1      7.009 ppm2      8.192

ASSI {22}   (  resid 99   and name  HE# )   (( resid 109  and name  HA  )) 3.275 1.575 4.295 peak   780 weight  1.00000E+00 volume  1.84809E+05 ppm1      6.390 ppm2      4.558 !2

ASSI {23}   (( resid 137  and name  HZ2 ))   (( resid 112  and name  HA  )) 2.819 1.119 4.339 peak  1327 weight  1.00000E+00 volume  3.28697E+05 ppm1      7.071 ppm2      5.205 !3

ASSI {24}   (  resid 94   and name  HD# )   (( resid 113  and name  HA  )) 3.336 1.536 1.536 peak   585 weight  1.00000E+00 volume  1.49714E+05 ppm1      6.651 ppm2      4.719

ASSI {25}   (  resid 94   and name  HE# )   (( resid 113  and name  HN  )) 3.226 1.425 1.425 peak   712 weight  1.00000E+00 volume  1.81617E+05 ppm1      6.838 ppm2      8.430

ASSI {26}   (( resid 122  and name  HZ  ))   (( resid 114  and name  HA  )) 3.195 1.495 5.895 peak    57 weight  1.00000E+00 volume  1.39967E+05 ppm1      7.162 ppm2      4.761 !4

ASSI {27}   (  resid 145  and name  HE# )   (( resid 115  and name  HN  )) 2.811 1.011 1.011 peak   334 weight  1.00000E+00 volume  6.04242E+05 ppm1      6.720 ppm2      9.002

ASSI {28}   (( resid 137  and name  HZ2 ))   (( resid 115  and name  HN  )) 2.724 1.024 3.563 peak  1324 weight  1.00000E+00 volume  4.16817E+05 ppm1      7.078 ppm2      8.995 !3

ASSI {29}   (( resid 128  and name  HE1 ))   (( resid 168  and name  HA  )) 3.155 1.455 3.795 peak   649 weight  1.00000E+00 volume  1.39179E+05 ppm1      8.564 ppm2      4.621 !2

ASSI {30}   (( resid 163  and name  HZ3 ))   (( resid 130  and name  HN  )) 3.25 1.45 1.45 peak   565 weight  1.00000E+00 volume  9.40355E+04 ppm1      6.472 ppm2      9.932

ASSI {31}   (  resid 139  and name  HE# )   (( resid 130  and name  HA  )) 3.362 1.662 3.442 peak  1127 weight  1.00000E+00 volume  1.54445E+05 ppm1      5.453 ppm2      5.783 !2

ASSI {32}   (  resid 150  and name  HE# )   (( resid 139  and name  HN  )) 3.331 1.631 3.751 peak   843 weight  1.00000E+00 volume  1.52461E+05 ppm1      6.713 ppm2      8.997 !2

ASSI {33}   (  resid 139  and name  HD# )   (( resid 173  and name  HA  )) 3.037 1.337 2.636 peak   921 weight  1.00000E+00 volume  3.12210E+05 ppm1      6.171 ppm2      6.335 !2

ASSI {34}   (  resid 145  and name  HE# )   (( resid 145  and name  HN  )) 3.165 1.365 1.365 peak   332 weight  1.00000E+00 volume  2.44007E+05 ppm1      6.723 ppm2      7.853

ASSI {35}   (  resid 145  and name  HE# )   (( resid 174  and name  HN  )) 3.313 1.613 2.163 peak   335 weight  1.00000E+00 volume  1.68541E+05 ppm1      6.722 ppm2      9.545 !1

ASSI {36}   (  resid 145  and name  HE# )   (( resid 173  and name  HA  )) 3.164 1.464 1.964 peak   336 weight  1.00000E+00 volume  2.08958E+05 ppm1      6.722 ppm2      6.384 !1

ASSI {37}   (( resid 172  and name  HA  ))   (  resid 145  and name  HE# ) 3.164 1.464 3.084 peak   340 weight  1.00000E+00 volume  2.23869E+05 ppm1      6.721 ppm2      4.570 !2

ASSI {38}   (( resid 174  and name  HA  ))   (  resid 145  and name  HE# ) 3.163 1.363 1.363 peak  1528 weight  1.00000E+00 volume  2.38579E+05 ppm1      6.724 ppm2      5.258

ASSI {39}   (  resid 150  and name  HE# )   (( resid 169  and name  HN  )) 2.955 1.255 5.175 peak   838 weight  1.00000E+00 volume  3.81967E+05 ppm1      6.717 ppm2      7.434 !3

ASSI {40}   (  resid 150  and name  HE# )   (( resid 166  and name  HN  )) 2.991 1.291 1.691 peak   840 weight  1.00000E+00 volume  3.62606E+05 ppm1      6.714 ppm2      8.658 !1

ASSI {41}   (( resid 163  and name  HE3 ))   (( resid 163  and name  HN  )) 3.237 1.437 1.437 peak   634 weight  1.00000E+00 volume  1.03435E+05 ppm1      7.101 ppm2      7.620

!ASSI {42}   (  resid 10   and name  HD# )   (( resid 50   and name  HN  )) 3.521 1.821 4.581 peak   277 weight  1.00000E+00 volume  9.21766E+04 ppm1      6.547 ppm2      8.842 !4

!ASSI {43}   (  resid 122  and name  HD# )   (( resid 171  and name  HA  )) 3.304 1.604 5.204 peak  1202 weight  1.00000E+00 volume  1.56032E+05 ppm1      6.588 ppm2      4.734 !4

!ASSI {44}   (  resid 104  and name  HD# )   (( resid 156  and name  HA  )) 3.28 1.58 4.87 peak   958 weight  1.00000E+00 volume  1.53225E+05 ppm1      6.606 ppm2      3.946 !4

!ASSI {45}   (  resid 104  and name  HD# )   (( resid 156  and name  HN  )) 3.163 1.463 5.723 peak  1717 weight  1.00000E+00 volume  2.37675E+05 ppm1      6.606 ppm2      7.975 !3

!ASSI {46}   (  resid 99   and name  HD# )   (( resid 156  and name  HA  )) 3.264 1.564 4.914 peak  1371 weight  1.00000E+00 volume  1.79548E+05 ppm1      6.690 ppm2      3.979 !2

ASSI {0}   (  resid 10   and name  HE# )   (( resid 30   and name  HZ  )) 3.399 1.599 1.599 peak   186 weight  1.00000E+00 volume  1.30805E+05 ppm1      5.780 ppm2      7.086

ASSI {1}   (  resid 10   and name  HE# )   (  resid 21   and name  HE# ) 3.38 1.68 4.31 peak   540 weight  1.00000E+00 volume  2.93599E+05 ppm1      6.340 ppm2      7.086 !2

ASSI {2}   (  resid 10   and name  HD# )   (( resid 73   and name  HH2 )) 3.308 1.608 1.968 peak  1175 weight  1.00000E+00 volume  1.60718E+05 ppm1      6.665 ppm2      6.513 !1

ASSI {3}   (  resid 10   and name  HE# )   (( resid 73   and name  HH2 )) 3.304 1.604 2.934 peak  1176 weight  1.00000E+00 volume  1.60944E+05 ppm1      6.668 ppm2      7.079 !1

ASSI {4}   (  resid 10   and name  HE# )   (( resid 83   and name  HB1 )) 3.396 1.596 1.596 peak  1760 weight  1.00000E+00 volume  1.18518E+05 ppm1      7.069 ppm2      3.593

ASSI {5}   (  resid 10   and name  HE# )   (( resid 21   and name  HB2 )) 3.187 1.487 3.507 peak  1764 weight  1.00000E+00 volume  1.94460E+05 ppm1      7.068 ppm2      2.408 !2

ASSI {6}   (  resid 10   and name  HE# )   (  resid 8    and name  HD1#) 4.252 2.452 2.452 peak  1772 weight  1.00000E+00 volume  5.60028E+04 ppm1      7.070 ppm2     -0.080

ASSI {7}   (( resid 16   and name  HZ  ))   (( resid 15   and name  HD21)) 3.117 1.417 3.767 peak   612 weight  1.00000E+00 volume  1.44431E+05 ppm1      6.896 ppm2      7.479 !2

ASSI {8}   (  resid 16   and name  HE# )   (( resid 39   and name  HB2 )) 3.209 1.409 1.409 peak   154 weight  1.00000E+00 volume  2.10024E+05 ppm1      7.281 ppm2      4.314

ASSI {9}   (  resid 16   and name  HE# )   (( resid 41   and name  HG2 )) 3.112 1.312 1.312 peak   167 weight  1.00000E+00 volume  2.79768E+05 ppm1      7.278 ppm2      0.810

ASSI {10}   (  resid 16   and name  HD# )   (  resid 16   and name  HE# ) 2.688 0.888 0.888 peak  1260 weight  1.00000E+00 volume  1.97667E+06 ppm1      6.777 ppm2      7.280

ASSI {11}   (  resid 16   and name  HD# )   (( resid 41   and name  HG2 )) 3.349 1.549 1.549 peak  1274 weight  1.00000E+00 volume  1.32005E+05 ppm1      6.773 ppm2      0.814

ASSI {12}   (  resid 16   and name  HD# )   (( resid 16   and name  HB2 )) 2.681 0.8815 0.8815 peak  1833 weight  1.00000E+00 volume  9.46956E+05 ppm1      6.779 ppm2      2.964

ASSI {13}   (( resid 21   and name  HB1 ))   (  resid 33   and name  HD# ) 2.876 1.176 3.316 peak   135 weight  1.00000E+00 volume  5.17322E+05 ppm1      6.753 ppm2      2.771 !3

ASSI {14}   (( resid 30   and name  HB2 ))   (( resid 30   and name  HZ  )) 3.227 1.527 2.527 peak   189 weight  1.00000E+00 volume  1.03336E+05 ppm1      5.787 ppm2      2.679 !1

ASSI {15}   (( resid 31   and name  HD2 ))   (( resid 31   and name  HB1 )) 2.703 0.9025 0.9025 peak  1149 weight  1.00000E+00 volume  4.70266E+05 ppm1      7.128 ppm2      3.066

ASSI {16}   (( resid 47   and name  HH2 ))   (( resid 47   and name  HE3 )) 2.872 1.172 1.642 peak    98 weight  1.00000E+00 volume  2.85705E+05 ppm1      7.197 ppm2      6.684 !1

ASSI {17}   (  resid 58   and name  HD# )   (( resid 51   and name  HB2 )) 2.956 1.156 1.156 peak   760 weight  1.00000E+00 volume  4.07030E+05 ppm1      7.224 ppm2      2.640

ASSI {18}   (( resid 55   and name  HZ  ))   (( resid 53   and name  HB1 )) 3.208 1.508 5.908 peak   181 weight  1.00000E+00 volume  9.83221E+04 ppm1      7.187 ppm2      1.575 !2

ASSI {19}   (  resid 84   and name  HD# )   (  resid 55   and name  HD# ) 3.362 1.562 1.562 peak  1101 weight  1.00000E+00 volume  1.38807E+05 ppm1      6.808 ppm2      2.356

ASSI {20}   (  resid 58   and name  HD# )   (  resid 76   and name  HD2#) 3.309 1.609 2.039 peak   769 weight  1.00000E+00 volume  4.88930E+05 ppm1      7.226 ppm2      0.619 !1

ASSI {21}   (  resid 58   and name  HE# )   (  resid 76   and name  HD1#) 3.102 1.402 2.412 peak  1052 weight  1.00000E+00 volume  8.03974E+05 ppm1      6.833 ppm2      0.764 !1

ASSI {22}   (( resid 77   and name  HB1 ))   (  resid 70   and name  HD# ) 3.343 1.643 3.612 peak   444 weight  1.00000E+00 volume  1.45814E+05 ppm1      6.577 ppm2      3.298 !3

ASSI {23}   (( resid 73   and name  HZ3 ))   (  resid 70   and name  HE# ) 2.328 0.628 7.048 peak   863 weight  1.00000E+00 volume  3.44149E+06 ppm1      6.518 ppm2      6.638 !4

ASSI {24}   (( resid 70   and name  HB1 ))   (  resid 70   and name  HE# ) 2.938 1.238 1.838 peak   887 weight  1.00000E+00 volume  4.29940E+05 ppm1      6.516 ppm2      2.279 !1

ASSI {25}   (  resid 70   and name  HE# )   (( resid 71   and name  HG2 )) 2.822 1.022 1.022 peak   888 weight  1.00000E+00 volume  6.28800E+05 ppm1      6.514 ppm2      2.118

ASSI {26}   (  resid 70   and name  HE# )   (  resid 76   and name  HD1#) 3.926 2.226 5.776 peak   893 weight  1.00000E+00 volume  1.28611E+05 ppm1      6.509 ppm2      0.770 !2

ASSI {27}   (( resid 70   and name  HB2 ))   (( resid 73   and name  HZ2 )) 2.743 1.043 1.893 peak  1120 weight  1.00000E+00 volume  3.68511E+05 ppm1      7.298 ppm2      2.215 !1

ASSI {28}   (( resid 73   and name  HZ2 ))   (( resid 80   and name  HB1 )) 3.167 1.467 4.127 peak  1122 weight  1.00000E+00 volume  1.09731E+05 ppm1      7.284 ppm2      1.538 !2

ASSI {29}   (( resid 73   and name  HH2 ))   (( resid 79   and name  HB2 )) 3.079 1.379 5.739 peak  1185 weight  1.00000E+00 volume  1.51961E+05 ppm1      6.658 ppm2      1.928 !3

ASSI {30}   (  resid 99   and name  HD# )   (( resid 100  and name  HB2 )) 3.399 1.699 2.919 peak  1374 weight  1.00000E+00 volume  1.32160E+05 ppm1      6.688 ppm2      2.279 !1

ASSI {31}   (( resid 163  and name  HZ3 ))   (( resid 102  and name  HA2 )) 3.064 1.364 3.554 peak   568 weight  1.00000E+00 volume  1.42429E+05 ppm1      6.468 ppm2      3.805 !3

ASSI {32}   (  resid 104  and name  HE# )   (( resid 104  and name  HZ  )) 2.619 0.819 0.819 peak   513 weight  1.00000E+00 volume  1.19375E+06 ppm1      7.227 ppm2      6.887

ASSI {33}   (  resid 104  and name  HE# )   (( resid 160  and name  HD1 )) 3.24 1.54 5.59 peak   525 weight  1.00000E+00 volume  1.88978E+05 ppm1      7.229 ppm2      3.451 !2

ASSI {34}   (  resid 104  and name  HD# )   (  resid 158  and name  HG# ) 3.074 1.374 3.194 peak   966 weight  1.00000E+00 volume  2.71297E+05 ppm1      6.596 ppm2      1.734 !3

ASSI {35}   (  resid 104  and name  HD# )   (  resid 104  and name  HE# ) 2.802 1.002 1.002 peak  1715 weight  1.00000E+00 volume  1.31922E+06 ppm1      6.607 ppm2      7.220

ASSI {36}   (( resid 98   and name  HG11))   (  resid 109  and name  HD# ) 2.934 1.234 2.694 peak   328 weight  1.00000E+00 volume  4.30810E+05 ppm1      7.009 ppm2      0.706 !2

ASSI {37}   (  resid 109  and name  HE# )   (  resid 122  and name  HE# ) 3.341 1.641 2.112 peak   683 weight  1.00000E+00 volume  2.62292E+05 ppm1      6.946 ppm2      7.370 !1

ASSI {38}   (( resid 122  and name  HZ  ))   (  resid 110  and name  HG# ) 2.989 1.289 2.819 peak    62 weight  1.00000E+00 volume  1.70408E+05 ppm1      7.164 ppm2      2.054 !1
OR {38}   (( resid 110  and name  HB2 ))   (( resid 122  and name  HZ  ))

ASSI {39}   (  resid 111  and name  HG2#)   (  resid 94   and name  HE# ) 3.593 1.893 2.593 peak   738 weight  1.00000E+00 volume  2.29617E+05 ppm1      6.837 ppm2      1.442 !1

ASSI {40}   (  resid 122  and name  HE# )   (  resid 118  and name  HD1#) 3.843 2.042 2.042 peak   395 weight  1.00000E+00 volume  1.41926E+05 ppm1      7.346 ppm2      0.675

ASSI {41}   (  resid 122  and name  HD# )   (  resid 118  and name  HD1#) 3.898 2.098 2.098 peak  1214 weight  1.00000E+00 volume  1.34700E+05 ppm1      6.595 ppm2      0.676

ASSI {42}   (( resid 123  and name  HE1 ))   (( resid 120  and name  HG1 )) 3.063 1.363 3.263 peak   206 weight  1.00000E+00 volume  1.64067E+05 ppm1      8.542 ppm2      2.294 !2

ASSI {43}   (  resid 122  and name  HE# )   (( resid 121  and name  HG1 )) 3.189 1.389 1.389 peak   392 weight  1.00000E+00 volume  2.26692E+05 ppm1      7.350 ppm2      1.208

ASSI {44}   (( resid 137  and name  HH2 ))   (( resid 122  and name  HZ  )) 2.881 1.181 5.701 peak    54 weight  1.00000E+00 volume  2.52598E+05 ppm1      7.172 ppm2      6.880 !4

ASSI {45}   (( resid 123  and name  HE1 ))   (( resid 123  and name  HD2 )) 3.034 1.234 1.234 peak   199 weight  1.00000E+00 volume  1.87323E+05 ppm1      8.541 ppm2      7.246

ASSI {46}   (( resid 123  and name  HE1 ))   (  resid 123  and name  HB# ) 2.974 1.274 1.904 peak   204 weight  1.00000E+00 volume  2.15140E+05 ppm1      8.541 ppm2      3.489 !1

ASSI {47}   (( resid 128  and name  HE1 ))   (( resid 125  and name  HB1 )) 3.011 1.311 4.561 peak   658 weight  1.00000E+00 volume  2.30609E+05 ppm1      8.565 ppm2      1.878 !2

ASSI {48}   (( resid 128  and name  HD2 ))   (( resid 128  and name  HB2 )) 2.731 1.031 1.361 peak   259 weight  1.00000E+00 volume  4.15345E+05 ppm1      7.247 ppm2      3.167 !1

ASSI {49}   (( resid 128  and name  HE1 ))   (( resid 168  and name  HD1 )) 2.928 1.228 4.147 peak   652 weight  1.00000E+00 volume  2.23858E+05 ppm1      8.566 ppm2      3.679 !2

ASSI {50}   (( resid 137  and name  HH2 ))   (( resid 96   and name  HG11)) 3.147 1.447 2.577 peak    16 weight  1.00000E+00 volume  1.24516E+05 ppm1      6.902 ppm2      0.884 !1

ASSI {51}   (( resid 137  and name  HH2 ))   (( resid 96   and name  HB  )) 3.101 1.401 2.131 peak    18 weight  1.00000E+00 volume  1.64632E+05 ppm1      6.909 ppm2      0.087 !1

ASSI {52}   (( resid 137  and name  HD1 ))   (( resid 137  and name  HZ2 )) 2.825 1.125 2.286 peak   817 weight  1.00000E+00 volume  2.78666E+05 ppm1      6.904 ppm2      7.043 !1

ASSI {53}   (( resid 137  and name  HD1 ))   (( resid 174  and name  HE  )) 3.144 1.444 6.534 peak   818 weight  1.00000E+00 volume  1.15457E+05 ppm1      6.906 ppm2      6.679 !3

ASSI {54}   (  resid 139  and name  HE# )   (  resid 98   and name  HG2#) 3.558 1.758 1.758 peak  1138 weight  1.00000E+00 volume  2.38475E+05 ppm1      5.457 ppm2      0.440

ASSI {55}   (  resid 145  and name  HE# )   (  resid 172  and name  HB# ) 2.927 1.227 1.627 peak   341 weight  1.00000E+00 volume  4.35657E+05 ppm1      6.722 ppm2      4.222 !1

ASSI {56}   (  resid 145  and name  HE# )   (( resid 145  and name  HB1 )) 2.995 1.295 1.775 peak   346 weight  1.00000E+00 volume  3.56500E+05 ppm1      6.722 ppm2      2.950 !1

ASSI {57}   (( resid 174  and name  HD2 ))   (  resid 145  and name  HE# ) 3.194 1.394 1.394 peak   350 weight  1.00000E+00 volume  2.16578E+05 ppm1      6.721 ppm2      2.147

ASSI {58}   (  resid 145  and name  HE# )   (( resid 174  and name  HG2 )) 3.222 1.422 1.422 peak   355 weight  1.00000E+00 volume  1.89468E+05 ppm1      6.717 ppm2      1.312

ASSI {59}   (  resid 145  and name  HD# )   (( resid 174  and name  HD2 )) 3.174 1.374 1.374 peak   916 weight  1.00000E+00 volume  2.19463E+05 ppm1      6.696 ppm2      2.137

ASSI {60}   (  resid 145  and name  HD# )   (( resid 174  and name  HB1 )) 3.114 1.314 1.314 peak   918 weight  1.00000E+00 volume  2.52408E+05 ppm1      6.696 ppm2      1.690

ASSI {61}   (( resid 163  and name  HZ2 ))   (( resid 163  and name  HE3 )) 3.232 1.532 2.492 peak   633 weight  1.00000E+00 volume  9.45544E+04 ppm1      7.089 ppm2      7.305 !2

ASSI {62}   (  resid 173  and name  HD# )   (  resid 172  and name  HB# ) 3.306 1.506 1.506 peak  1160 weight  1.00000E+00 volume  1.67481E+05 ppm1      6.986 ppm2      4.249

ASSI {63}   (  resid 173  and name  HE# )   (  resid 95   and name  HG# ) 3.218 1.518 5.098 peak    46 weight  1.00000E+00 volume  1.91731E+05 ppm1      7.246 ppm2      1.235 !2

!ASSI {64}   (( resid 73   and name  HE3 ))   (  resid 76   and name  HD2#) 3.481 1.781 4.851 peak  1365 weight  1.00000E+00 volume  1.38564E+05 ppm1      6.406 ppm2      0.571 !4

!ASSI {65}   (( resid 130  and name  HB2 ))   (  resid 109  and name  HD# ) 3.178 1.478 5.558 peak   316 weight  1.00000E+00 volume  2.08689E+05 ppm1      7.006 ppm2      3.008 !3

!ASSI {66}   (  resid 58   and name  HE# )   (  resid 142  and name  HD2#) 3.675 1.975 5.125 peak  1050 weight  1.00000E+00 volume  2.09561E+05 ppm1      6.836 ppm2      0.947 !3

!ASSI {67}   (  resid 170  and name  HG2#)   (  resid 145  and name  HE# ) 3.888 2.188 6.118 peak   357 weight  1.00000E+00 volume  1.24913E+05 ppm1      6.717 ppm2      0.830 !4

!ASSI {68}   (( resid 73   and name  HZ3 ))   (( resid 51   and name  HG1 )) 3.054 1.354 7.634 peak   810 weight  1.00000E+00 volume  1.51835E+05 ppm1      6.660 ppm2      1.959 !3

!ASSI {69}   (( resid 73   and name  HZ3 ))   (( resid 69   and name  HB2 )) 3.16 1.46 8.17 peak   809 weight  1.00000E+00 volume  1.24717E+05 ppm1      6.671 ppm2      2.155 !3

!ASSI {70}   (  resid 94   and name  HE# )   (( resid 93   and name  HB1 )) 3.133 1.433 6.903 peak   734 weight  1.00000E+00 volume  2.25198E+05 ppm1      6.838 ppm2      1.980 !3

!ASSI {71}   (( resid 137  and name  HD1 ))   (( resid 115  and name  HB1 )) 2.856 1.156 8.436 peak   829 weight  1.00000E+00 volume  2.83282E+05 ppm1      6.892 ppm2      1.065 !3

ASSI {0}   (  resid 1    and name  HA# )   (( resid 2    and name  HN  )) 3.702 1.902 1.902 peak 18967 weight  1.00000E+00 volume  1.87427E+05 ppm1      3.901 ppm2      8.721

ASSI {1}   (( resid 2    and name  HB1 ))   (( resid 2    and name  HA  )) 2.673 0.8735 0.8735 peak 18760 weight  1.00000E+00 volume  2.31657E+06 ppm1      3.895 ppm2      4.528

ASSI {2}   (( resid 2    and name  HB2 ))   (( resid 2    and name  HA  )) 2.743 0.9425 0.9425 peak 18761 weight  1.00000E+00 volume  1.77416E+06 ppm1      3.861 ppm2      4.529

ASSI {3}   (( resid 2    and name  HB2 ))   (( resid 3    and name  HN  )) 2.962 1.162 1.162 peak 18762 weight  1.00000E+00 volume  7.98313E+05 ppm1      3.863 ppm2      8.670

ASSI {4}   (( resid 2    and name  HB1 ))   (( resid 3    and name  HN  )) 2.864 1.164 1.594 peak 18763 weight  1.00000E+00 volume  1.09049E+06 ppm1      3.896 ppm2      8.670 !1

ASSI {5}   (( resid 3    and name  HA  ))   (( resid 3    and name  HB2 )) 2.757 0.9575 0.9575 peak 16401 weight  1.00000E+00 volume  1.79491E+06 ppm1      1.801 ppm2      4.430

ASSI {6}   (( resid 3    and name  HG2 ))   (( resid 3    and name  HA  )) 3.194 1.394 1.394 peak 17895 weight  1.00000E+00 volume  4.66682E+05 ppm1      1.477 ppm2      4.439

ASSI {7}   (( resid 3    and name  HA  ))   (( resid 3    and name  HB1 )) 2.526 0.7255 0.7255 peak 20539 weight  1.00000E+00 volume  3.85876E+06 ppm1      4.435 ppm2      1.890

ASSI {8}   (( resid 3    and name  HG1 ))   (( resid 3    and name  HA  )) 2.854 1.054 1.054 peak 20540 weight  1.00000E+00 volume  1.26455E+06 ppm1      4.439 ppm2      1.453

ASSI {9}   (( resid 3    and name  HA  ))   (  resid 4    and name  HG2#) 3.807 2.107 2.557 peak 20541 weight  1.00000E+00 volume  3.45422E+05 ppm1      4.439 ppm2      1.225 !1

ASSI {10}   (  resid 3    and name  HD# )   (( resid 3    and name  HA  )) 2.861 1.161 1.781 peak 20545 weight  1.00000E+00 volume  1.18996E+06 ppm1      4.445 ppm2      1.689 !1

ASSI {11}   (( resid 4    and name  HA  ))   (( resid 4    and name  HN  )) 2.705 0.905 0.905 peak 13777 weight  1.00000E+00 volume  2.11070E+06 ppm1      4.373 ppm2      8.226

ASSI {12}   (  resid 6    and name  HG2#)   (( resid 6    and name  HA  )) 3.096 1.296 1.296 peak 13867 weight  1.00000E+00 volume  2.02973E+06 ppm1      0.991 ppm2      4.529

ASSI {13}   (( resid 7    and name  HA  ))   (  resid 6    and name  HG2#) 3.901 2.101 2.101 peak 13869 weight  1.00000E+00 volume  2.93422E+05 ppm1      0.993 ppm2      5.007

ASSI {14}   (( resid 8    and name  HN  ))   (  resid 6    and name  HG2#) 3.646 1.946 3.376 peak 13875 weight  1.00000E+00 volume  5.07662E+05 ppm1      0.989 ppm2      8.465 !1

ASSI {15}   (( resid 64   and name  HG2 ))   (( resid 6    and name  HA  )) 3.78 1.98 1.98 peak 15081 weight  1.00000E+00 volume  1.27278E+05 ppm1      4.546 ppm2      2.479

ASSI {16}   (( resid 7    and name  HG2 ))   (( resid 6    and name  HA  )) 3.605 1.905 2.835 peak 15085 weight  1.00000E+00 volume  1.74969E+05 ppm1      4.539 ppm2      1.199 !1

ASSI {17}   (  resid 88   and name  HD2#)   (( resid 6    and name  HA  )) 4.141 2.441 3.431 peak 15087 weight  1.00000E+00 volume  1.77726E+05 ppm1      4.538 ppm2      0.791 !2

ASSI {18}   (( resid 7    and name  HA  ))   (( resid 6    and name  HA  )) 3.376 1.576 1.576 peak 15088 weight  1.00000E+00 volume  2.96010E+05 ppm1      4.539 ppm2      5.005

ASSI {19}   (( resid 7    and name  HG2 ))   (( resid 9    and name  HA  )) 3.294 1.594 2.124 peak 10947 weight  1.00000E+00 volume  3.54345E+05 ppm1      1.198 ppm2      4.613 !1

ASSI {20}   (( resid 7    and name  HG1 ))   (( resid 9    and name  HA  )) 3.242 1.542 2.822 peak 10948 weight  1.00000E+00 volume  4.06867E+05 ppm1      1.168 ppm2      4.613 !2

ASSI {21}   (( resid 8    and name  HA  ))   (( resid 7    and name  HG2 )) 3.491 1.691 1.691 peak 13562 weight  1.00000E+00 volume  2.22616E+05 ppm1      4.489 ppm2      1.208

ASSI {22}   (( resid 7    and name  HA  ))   (( resid 7    and name  HD1 )) 3.194 1.394 1.394 peak 17662 weight  1.00000E+00 volume  4.55494E+05 ppm1      4.996 ppm2      1.452

ASSI {23}   (( resid 7    and name  HA  ))   (( resid 7    and name  HG2 )) 3.051 1.251 1.251 peak 17663 weight  1.00000E+00 volume  6.78810E+05 ppm1      5.005 ppm2      1.201

ASSI {24}   (( resid 7    and name  HA  ))   (( resid 8    and name  HG11)) 3.704 2.004 2.914 peak 17666 weight  1.00000E+00 volume  1.35356E+05 ppm1      5.004 ppm2      0.525 !1

ASSI {25}   (( resid 7    and name  HA  ))   (  resid 8    and name  HG2#) 3.819 2.019 2.019 peak 17668 weight  1.00000E+00 volume  3.30618E+05 ppm1      5.004 ppm2     -0.563

ASSI {26}   (( resid 8    and name  HN  ))   (( resid 7    and name  HA  )) 3.023 1.223 1.223 peak 17671 weight  1.00000E+00 volume  7.40526E+05 ppm1      4.999 ppm2      8.467

ASSI {27}   (( resid 85   and name  HA  ))   (  resid 8    and name  HD1#) 4.143 2.342 2.342 peak 12601 weight  1.00000E+00 volume  1.89253E+05 ppm1      3.206 ppm2     -0.053

ASSI {28}   (( resid 8    and name  HA  ))   (( resid 9    and name  HB  )) 3.33 1.53 1.53 peak 13557 weight  1.00000E+00 volume  3.16250E+05 ppm1      4.494 ppm2      3.517

ASSI {29}   (( resid 8    and name  HG11))   (( resid 8    and name  HA  )) 3.072 1.272 1.272 peak 13564 weight  1.00000E+00 volume  6.59878E+05 ppm1      4.486 ppm2      0.522

ASSI {30}   (( resid 8    and name  HA  ))   (  resid 8    and name  HD1#) 3.623 1.824 1.824 peak 13566 weight  1.00000E+00 volume  5.21374E+05 ppm1      4.485 ppm2     -0.070

ASSI {31}   (( resid 8    and name  HB  ))   (( resid 8    and name  HA  )) 3.059 1.26 1.26 peak 13567 weight  1.00000E+00 volume  6.89751E+05 ppm1      4.492 ppm2     -0.360

ASSI {32}   (( resid 8    and name  HG12))   (( resid 8    and name  HA  )) 3.167 1.367 1.367 peak 13570 weight  1.00000E+00 volume  5.29227E+05 ppm1      4.487 ppm2     -0.778

ASSI {33}   (( resid 8    and name  HA  ))   (( resid 9    and name  HN  )) 3.033 1.233 1.233 peak 13573 weight  1.00000E+00 volume  6.94099E+05 ppm1      4.488 ppm2      8.366

ASSI {34}   (( resid 9    and name  HA  ))   (  resid 8    and name  HD1#) 4.33 2.53 2.53 peak 13924 weight  1.00000E+00 volume  1.21795E+05 ppm1      4.619 ppm2     -0.077

ASSI {35}   (( resid 8    and name  HG12))   (( resid 9    and name  HA  )) 3.779 1.979 1.979 peak 13926 weight  1.00000E+00 volume  1.29486E+05 ppm1      4.617 ppm2     -0.781

ASSI {36}   (( resid 8    and name  HG11))   (( resid 9    and name  HN  )) 3.436 1.636 1.636 peak 18939 weight  1.00000E+00 volume  2.53311E+05 ppm1      0.520 ppm2      8.364

ASSI {37}   (( resid 83   and name  HA  ))   (  resid 8    and name  HD1#) 4.557 2.757 2.757 peak 23847 weight  1.00000E+00 volume  9.90974E+04 ppm1      6.457 ppm2     -0.053

ASSI {38}   (  resid 9    and name  HG2#)   (( resid 9    and name  HA  )) 3.087 1.287 1.287 peak 11729 weight  1.00000E+00 volume  1.99559E+06 ppm1      0.546 ppm2      4.606

ASSI {39}   (( resid 10   and name  HB1 ))   (( resid 11   and name  HA  )) 3.769 1.969 1.969 peak 13428 weight  1.00000E+00 volume  1.23895E+05 ppm1      2.566 ppm2      5.447

ASSI {40}   (( resid 10   and name  HB2 ))   (( resid 11   and name  HA  )) 3.939 2.139 2.139 peak 13429 weight  1.00000E+00 volume  8.64047E+04 ppm1      3.170 ppm2      5.440

ASSI {41}   (( resid 9    and name  HA  ))   (( resid 10   and name  HN  )) 3.014 1.215 1.215 peak 13909 weight  1.00000E+00 volume  7.52009E+05 ppm1      4.609 ppm2      8.694

ASSI {42}   (( resid 10   and name  HB2 ))   (( resid 9    and name  HA  )) 3.764 1.965 1.965 peak 13911 weight  1.00000E+00 volume  1.21523E+05 ppm1      4.615 ppm2      3.156

ASSI {43}   (( resid 10   and name  HB1 ))   (( resid 9    and name  HA  )) 3.659 1.859 1.859 peak 13914 weight  1.00000E+00 volume  1.46839E+05 ppm1      4.615 ppm2      2.567

ASSI {44}   (  resid 10   and name  HE# )   (( resid 49   and name  HA  )) 3.744 1.943 1.943 peak 14410 weight  1.00000E+00 volume  2.61923E+05 ppm1      5.351 ppm2      7.066

ASSI {45}   (( resid 10   and name  HA  ))   (( resid 40   and name  HA  )) 3.147 1.347 1.347 peak 14517 weight  1.00000E+00 volume  5.36216E+05 ppm1      4.635 ppm2      5.376

ASSI {46}   (( resid 40   and name  HG12))   (( resid 10   and name  HA  )) 3.067 1.267 1.267 peak 14523 weight  1.00000E+00 volume  6.52051E+05 ppm1      4.639 ppm2      0.720

ASSI {47}   (  resid 40   and name  HD1#)   (( resid 10   and name  HA  )) 3.939 2.139 2.139 peak 14526 weight  1.00000E+00 volume  2.54905E+05 ppm1      4.638 ppm2     -0.592

ASSI {48}   (  resid 10   and name  HE# )   (( resid 10   and name  HA  )) 3.321 1.521 1.521 peak 14531 weight  1.00000E+00 volume  6.73315E+05 ppm1      4.639 ppm2      7.030

ASSI {49}   (( resid 37   and name  HA  ))   (( resid 10   and name  HB2 )) 3.489 1.688 1.688 peak 16143 weight  1.00000E+00 volume  2.21489E+05 ppm1      5.315 ppm2      3.170

ASSI {50}   (( resid 20   and name  HA  ))   (( resid 10   and name  HB2 )) 3.663 1.863 1.863 peak 16791 weight  1.00000E+00 volume  1.48669E+05 ppm1      5.724 ppm2      3.165

ASSI {51}   (( resid 20   and name  HA  ))   (( resid 10   and name  HB1 )) 3.96 2.16 2.16 peak 16794 weight  1.00000E+00 volume  7.61506E+04 ppm1      5.721 ppm2      2.552

ASSI {52}   (( resid 37   and name  HB1 ))   (( resid 10   and name  HA  )) 3.759 1.959 1.959 peak 18610 weight  1.00000E+00 volume  1.22759E+05 ppm1      2.623 ppm2      4.651

ASSI {53}   (( resid 10   and name  HA  ))   (  resid 8    and name  HD1#) 4.218 2.418 2.418 peak 20423 weight  1.00000E+00 volume  1.64392E+05 ppm1     -0.078 ppm2      4.653

ASSI {54}   (  resid 11   and name  HD# )   (( resid 13   and name  HA  )) 3.889 2.189 2.769 peak 10903 weight  1.00000E+00 volume  1.89619E+05 ppm1      5.404 ppm2      6.755 !1

ASSI {55}   (( resid 20   and name  HB2 ))   (( resid 11   and name  HA  )) 3.307 1.507 1.507 peak 13754 weight  1.00000E+00 volume  3.55322E+05 ppm1      1.363 ppm2      5.465

ASSI {56}   (( resid 20   and name  HB1 ))   (( resid 11   and name  HA  )) 3.295 1.494 1.494 peak 13755 weight  1.00000E+00 volume  3.82474E+05 ppm1      1.221 ppm2      5.459

ASSI {57}   (( resid 12   and name  HA  ))   (( resid 11   and name  HA  )) 3.598 1.798 1.798 peak 14633 weight  1.00000E+00 volume  1.74410E+05 ppm1      4.694 ppm2      5.456

ASSI {58}   (( resid 11   and name  HB2 ))   (( resid 12   and name  HA  )) 3.346 1.646 2.326 peak 14636 weight  1.00000E+00 volume  3.44745E+05 ppm1      4.699 ppm2      3.414 !1

ASSI {59}   (( resid 20   and name  HA  ))   (( resid 11   and name  HA  )) 2.902 1.102 1.102 peak 16766 weight  1.00000E+00 volume  1.13216E+06 ppm1      5.450 ppm2      5.709

ASSI {60}   (( resid 37   and name  HA  ))   (( resid 11   and name  HA  )) 2.944 1.244 2.543 peak 16767 weight  1.00000E+00 volume  9.50004E+05 ppm1      5.467 ppm2      5.304 !2

ASSI {61}   (( resid 11   and name  HB2 ))   (( resid 11   and name  HA  )) 2.946 1.146 1.146 peak 16771 weight  1.00000E+00 volume  9.40134E+05 ppm1      5.453 ppm2      3.414

ASSI {62}   (( resid 11   and name  HB1 ))   (( resid 11   and name  HA  )) 2.966 1.167 1.167 peak 16772 weight  1.00000E+00 volume  8.96317E+05 ppm1      5.453 ppm2      3.198

ASSI {63}   (( resid 12   and name  HB2 ))   (( resid 11   and name  HA  )) 3.255 1.454 1.454 peak 16774 weight  1.00000E+00 volume  3.88420E+05 ppm1      5.458 ppm2      2.224

ASSI {64}   (  resid 80   and name  HD1#)   (( resid 11   and name  HA  )) 3.765 2.065 5.625 peak 16777 weight  1.00000E+00 volume  3.91801E+05 ppm1      5.456 ppm2      1.191 !2

ASSI {65}   (  resid 34   and name  HD2#)   (( resid 11   and name  HA  )) 3.772 1.972 1.972 peak 16780 weight  1.00000E+00 volume  3.60316E+05 ppm1      5.458 ppm2      0.780

ASSI {66}   (  resid 9    and name  HG2#)   (( resid 11   and name  HA  )) 4.321 2.52 2.52 peak 16781 weight  1.00000E+00 volume  1.33504E+05 ppm1      5.449 ppm2      0.545

ASSI {67}   (( resid 11   and name  HA  ))   (( resid 13   and name  HN  )) 3.318 1.518 1.518 peak 16784 weight  1.00000E+00 volume  3.24149E+05 ppm1      5.462 ppm2      8.057

ASSI {68}   (( resid 70   and name  HA  ))   (  resid 11   and name  HD# ) 3.636 1.936 5.996 peak 17922 weight  1.00000E+00 volume  3.37641E+05 ppm1      1.187 ppm2      6.777 !3

ASSI {69}   (( resid 11   and name  HB1 ))   (( resid 40   and name  HA  )) 4.052 2.252 2.252 peak 18003 weight  1.00000E+00 volume  7.07700E+04 ppm1      5.369 ppm2      3.203

ASSI {70}   (( resid 11   and name  HB2 ))   (( resid 68   and name  HA  )) 3.869 2.169 3.539 peak 18435 weight  1.00000E+00 volume  9.62279E+04 ppm1      3.409 ppm2      3.670 !2

ASSI {71}   (( resid 20   and name  HA  ))   (( resid 11   and name  HB1 )) 3.66 1.86 1.86 peak 18447 weight  1.00000E+00 volume  1.61959E+05 ppm1      3.211 ppm2      5.734

ASSI {72}   (( resid 11   and name  HB1 ))   (( resid 18   and name  HN  )) 3.614 1.914 2.354 peak 18457 weight  1.00000E+00 volume  1.65320E+05 ppm1      3.213 ppm2      8.395 !1

ASSI {73}   (  resid 34   and name  HD1#)   (( resid 11   and name  HA  )) 3.572 1.772 1.772 peak 19027 weight  1.00000E+00 volume  6.10824E+05 ppm1      0.868 ppm2      5.455

ASSI {74}   (( resid 12   and name  HG2 ))   (( resid 11   and name  HA  )) 3.622 1.922 2.322 peak 19118 weight  1.00000E+00 volume  1.64440E+05 ppm1      2.747 ppm2      5.450 !1

ASSI {75}   (( resid 12   and name  HG1 ))   (( resid 11   and name  HA  )) 3.74 2.04 2.621 peak 19119 weight  1.00000E+00 volume  1.22521E+05 ppm1      2.798 ppm2      5.451 !1

ASSI {76}   (( resid 16   and name  HA  ))   (  resid 11   and name  HE# ) 4.304 2.504 2.504 peak 19771 weight  1.00000E+00 volume  9.15469E+04 ppm1      2.852 ppm2      7.052

ASSI {77}   (( resid 13   and name  HA  ))   (( resid 12   and name  HA  )) 3.47 1.67 1.67 peak 10885 weight  1.00000E+00 volume  2.39635E+05 ppm1      5.400 ppm2      4.695

ASSI {78}   (( resid 12   and name  HB1 ))   (( resid 12   and name  HA  )) 2.907 1.107 1.107 peak 14640 weight  1.00000E+00 volume  1.09083E+06 ppm1      4.694 ppm2      2.120

ASSI {79}   (( resid 36   and name  HG2 ))   (( resid 12   and name  HA  )) 3.179 1.479 2.67 peak 14642 weight  1.00000E+00 volume  4.96072E+05 ppm1      4.694 ppm2      1.542 !2

ASSI {80}   (( resid 12   and name  HB1 ))   (( resid 38   and name  HA  )) 3.164 1.464 4.704 peak 15063 weight  1.00000E+00 volume  5.17268E+05 ppm1      5.287 ppm2      2.144 !2

ASSI {81}   (( resid 12   and name  HB2 ))   (( resid 19   and name  HA  )) 3.365 1.565 1.565 peak 15115 weight  1.00000E+00 volume  3.13230E+05 ppm1      2.236 ppm2      4.183

ASSI {82}   (( resid 12   and name  HB2 ))   (( resid 12   and name  HA  )) 2.883 1.083 1.083 peak 15120 weight  1.00000E+00 volume  1.16993E+06 ppm1      2.224 ppm2      4.685

ASSI {83}   (( resid 12   and name  HB2 ))   (( resid 13   and name  HA  )) 3.376 1.676 2.386 peak 15122 weight  1.00000E+00 volume  2.92810E+05 ppm1      2.224 ppm2      5.397 !1

ASSI {84}   (( resid 37   and name  HA  ))   (( resid 12   and name  HB1 )) 3.442 1.742 3.542 peak 16148 weight  1.00000E+00 volume  2.48077E+05 ppm1      5.316 ppm2      2.124 !3

ASSI {85}   (( resid 37   and name  HA  ))   (( resid 12   and name  HB2 )) 2.955 1.255 3.935 peak 16149 weight  1.00000E+00 volume  9.07940E+05 ppm1      5.316 ppm2      2.247 !3

ASSI {86}   (( resid 38   and name  HB2 ))   (( resid 12   and name  HA  )) 3.609 1.809 1.809 peak 18838 weight  1.00000E+00 volume  1.61578E+05 ppm1      2.779 ppm2      4.692

ASSI {87}   (( resid 12   and name  HG1 ))   (( resid 19   and name  HA  )) 3.857 2.157 2.638 peak 19110 weight  1.00000E+00 volume  1.01680E+05 ppm1      2.801 ppm2      4.173 !1

ASSI {88}   (( resid 12   and name  HG2 ))   (( resid 19   and name  HA  )) 3.809 2.109 3.309 peak 19111 weight  1.00000E+00 volume  1.13914E+05 ppm1      2.752 ppm2      4.175 !2

ASSI {89}   (( resid 20   and name  HA  ))   (( resid 12   and name  HG1 )) 4.071 2.371 2.801 peak 19120 weight  1.00000E+00 volume  7.29306E+04 ppm1      2.798 ppm2      5.698 !1

ASSI {90}   (( resid 12   and name  HG2 ))   (( resid 12   and name  HN  )) 3.396 1.596 1.596 peak 19129 weight  1.00000E+00 volume  2.78508E+05 ppm1      2.746 ppm2      9.199

ASSI {91}   (( resid 12   and name  HG1 ))   (( resid 12   and name  HN  )) 3.549 1.749 1.749 peak 19130 weight  1.00000E+00 volume  1.80335E+05 ppm1      2.800 ppm2      9.201

ASSI {92}   (( resid 12   and name  HG2 ))   (( resid 35   and name  HN  )) 3.918 2.118 2.118 peak 19131 weight  1.00000E+00 volume  8.04799E+04 ppm1      2.743 ppm2      9.608

ASSI {93}   (( resid 12   and name  HG1 ))   (( resid 35   and name  HN  )) 3.667 1.867 1.867 peak 19132 weight  1.00000E+00 volume  1.34734E+05 ppm1      2.796 ppm2      9.606

ASSI {94}   (( resid 20   and name  HA  ))   (( resid 12   and name  HG2 )) 4.256 2.456 2.456 peak 23677 weight  1.00000E+00 volume  5.20335E+04 ppm1      2.740 ppm2      5.721

ASSI {95}   (( resid 12   and name  HG2 ))   (( resid 36   and name  HN  )) 3.351 1.55 1.55 peak 23679 weight  1.00000E+00 volume  3.03558E+05 ppm1      2.740 ppm2      7.962

ASSI {96}   (( resid 13   and name  HA  ))   (( resid 69   and name  HA  )) 2.371 0.671 4.701 peak 10882 weight  1.00000E+00 volume  7.00544E+06 ppm1      5.398 ppm2      5.392 !3

ASSI {97}   (( resid 14   and name  HA  ))   (( resid 13   and name  HA  )) 3.338 1.538 1.538 peak 10887 weight  1.00000E+00 volume  3.27224E+05 ppm1      5.400 ppm2      3.880

ASSI {98}   (( resid 78   and name  HB2 ))   (( resid 13   and name  HA  )) 3.332 1.632 4.552 peak 10890 weight  1.00000E+00 volume  3.30202E+05 ppm1      5.410 ppm2      3.139 !3

ASSI {99}   (  resid 14   and name  HE# )   (( resid 13   and name  HA  )) 3.355 1.555 1.555 peak 10891 weight  1.00000E+00 volume  3.26014E+05 ppm1      5.408 ppm2      2.972

ASSI {100}   (( resid 78   and name  HB1 ))   (( resid 13   and name  HA  )) 3.232 1.532 5.242 peak 10893 weight  1.00000E+00 volume  4.25688E+05 ppm1      5.400 ppm2      2.572 !4

ASSI {101}   (( resid 14   and name  HB1 ))   (( resid 13   and name  HA  )) 3.092 1.392 3.622 peak 10897 weight  1.00000E+00 volume  6.14427E+05 ppm1      5.401 ppm2      1.825 !3

ASSI {102}   (( resid 14   and name  HB2 ))   (( resid 13   and name  HA  )) 3.068 1.368 2.548 peak 10899 weight  1.00000E+00 volume  6.56359E+05 ppm1      5.403 ppm2      1.696 !2

ASSI {103}   (( resid 14   and name  HG2 ))   (( resid 13   and name  HA  )) 3.214 1.514 3.424 peak 10900 weight  1.00000E+00 volume  4.41128E+05 ppm1      5.400 ppm2      1.480 !3

ASSI {104}   (( resid 13   and name  HA  ))   (( resid 38   and name  HD21)) 2.78 0.9805 0.9805 peak 10905 weight  1.00000E+00 volume  1.60245E+06 ppm1      5.403 ppm2      8.543

ASSI {105}   (( resid 17   and name  HB2 ))   (( resid 13   and name  HN  )) 3.55 1.85 2.36 peak 13536 weight  1.00000E+00 volume  1.90870E+05 ppm1      2.280 ppm2      8.049 !1

ASSI {106}   (( resid 17   and name  HA  ))   (( resid 13   and name  HB1 )) 3.357 1.657 2.587 peak 15695 weight  1.00000E+00 volume  3.08007E+05 ppm1      2.333 ppm2      4.618 !1

ASSI {107}   (( resid 13   and name  HB1 ))   (( resid 13   and name  HN  )) 2.971 1.171 1.171 peak 15707 weight  1.00000E+00 volume  8.77756E+05 ppm1      2.332 ppm2      8.064

ASSI {108}   (( resid 13   and name  HB2 ))   (( resid 13   and name  HN  )) 2.976 1.176 1.176 peak 15708 weight  1.00000E+00 volume  8.64643E+05 ppm1      2.778 ppm2      8.063

ASSI {109}   (( resid 18   and name  HA2 ))   (( resid 13   and name  HA  )) 3.848 2.148 3.158 peak 17007 weight  1.00000E+00 volume  1.09731E+05 ppm1      4.506 ppm2      5.403 !2

ASSI {110}   (( resid 18   and name  HA1 ))   (( resid 13   and name  HN  )) 2.892 1.092 1.092 peak 17013 weight  1.00000E+00 volume  1.07000E+06 ppm1      3.837 ppm2      8.046

ASSI {111}   (( resid 38   and name  HB1 ))   (( resid 13   and name  HN  )) 2.992 1.292 1.982 peak 18849 weight  1.00000E+00 volume  8.22347E+05 ppm1      2.332 ppm2      8.069 !1

ASSI {112}   (( resid 38   and name  HB2 ))   (( resid 13   and name  HN  )) 3.009 1.209 1.209 peak 18850 weight  1.00000E+00 volume  7.87357E+05 ppm1      2.771 ppm2      8.061

ASSI {113}   (( resid 17   and name  HA  ))   (( resid 13   and name  HB2 )) 3.307 1.507 1.507 peak 18884 weight  1.00000E+00 volume  3.34926E+05 ppm1      4.632 ppm2      2.786

ASSI {114}   (( resid 14   and name  HG1 ))   (( resid 69   and name  HA  )) 3.487 1.687 1.687 peak 12291 weight  1.00000E+00 volume  2.25560E+05 ppm1      1.750 ppm2      5.373

ASSI {115}   (( resid 14   and name  HG1 ))   (( resid 70   and name  HN  )) 3.468 1.668 1.668 peak 12294 weight  1.00000E+00 volume  2.08186E+05 ppm1      1.741 ppm2      8.418

ASSI {116}   (( resid 14   and name  HA  ))   (( resid 39   and name  HA  )) 2.921 1.121 1.121 peak 12620 weight  1.00000E+00 volume  1.01293E+06 ppm1      5.010 ppm2      3.867

ASSI {117}   (( resid 14   and name  HA  ))   (  resid 14   and name  HD# ) 3.233 1.433 1.433 peak 13579 weight  1.00000E+00 volume  4.12653E+05 ppm1      1.651 ppm2      3.872

ASSI {118}   (( resid 14   and name  HA  ))   (( resid 38   and name  HA  )) 3.232 1.532 1.942 peak 14016 weight  1.00000E+00 volume  4.22791E+05 ppm1      5.283 ppm2      3.876 !1

ASSI {119}   (( resid 14   and name  HB2 ))   (( resid 15   and name  HA  )) 3.337 1.637 2.847 peak 15609 weight  1.00000E+00 volume  3.42148E+05 ppm1      1.712 ppm2      3.159 !2

ASSI {120}   (( resid 14   and name  HB1 ))   (( resid 69   and name  HA  )) 3.294 1.494 1.494 peak 15619 weight  1.00000E+00 volume  3.65181E+05 ppm1      1.827 ppm2      5.382

ASSI {121}   (( resid 15   and name  HN  ))   (( resid 14   and name  HB2 )) 3.448 1.648 1.648 peak 15622 weight  1.00000E+00 volume  2.69040E+05 ppm1      1.715 ppm2      9.274

ASSI {122}   (( resid 15   and name  HN  ))   (( resid 14   and name  HB1 )) 3.373 1.573 1.573 peak 15623 weight  1.00000E+00 volume  3.14752E+05 ppm1      1.819 ppm2      9.275

ASSI {123}   (( resid 37   and name  HA  ))   (( resid 14   and name  HA  )) 3.323 1.623 4.533 peak 16141 weight  1.00000E+00 volume  3.41883E+05 ppm1      5.327 ppm2      3.873 !3

ASSI {124}   (  resid 14   and name  HE# )   (( resid 69   and name  HA  )) 3.393 1.693 2.103 peak 16409 weight  1.00000E+00 volume  3.10960E+05 ppm1      2.974 ppm2      5.375 !1

ASSI {125}   (  resid 14   and name  HE# )   (( resid 14   and name  HN  )) 3.366 1.566 1.566 peak 16416 weight  1.00000E+00 volume  3.24445E+05 ppm1      2.974 ppm2      8.579

ASSI {126}   (( resid 68   and name  HA  ))   (( resid 14   and name  HG1 )) 3.301 1.601 4.011 peak 19427 weight  1.00000E+00 volume  3.57876E+05 ppm1      3.697 ppm2      1.760 !3

ASSI {127}   (( resid 15   and name  HB1 ))   (( resid 14   and name  HA  )) 3.529 1.829 2.649 peak 20550 weight  1.00000E+00 volume  2.13737E+05 ppm1      3.874 ppm2      2.545 !1

ASSI {128}   (( resid 14   and name  HB1 ))   (( resid 14   and name  HA  )) 2.632 0.832 0.832 peak 20553 weight  1.00000E+00 volume  2.57059E+06 ppm1      3.866 ppm2      1.826

ASSI {129}   (( resid 14   and name  HG2 ))   (( resid 14   and name  HA  )) 2.899 1.099 1.099 peak 20555 weight  1.00000E+00 volume  9.75802E+05 ppm1      3.865 ppm2      1.491

ASSI {130}   (( resid 40   and name  HG11))   (( resid 14   and name  HA  )) 3.234 1.534 4.034 peak 20556 weight  1.00000E+00 volume  4.17134E+05 ppm1      3.869 ppm2      1.385 !2

ASSI {131}   (( resid 14   and name  HA  ))   (( resid 39   and name  HB2 )) 3.194 1.394 1.394 peak 20557 weight  1.00000E+00 volume  5.00525E+05 ppm1      3.866 ppm2      4.303

ASSI {132}   (( resid 14   and name  HG2 ))   (( resid 69   and name  HA  )) 3.333 1.533 1.533 peak 23962 weight  1.00000E+00 volume  3.12558E+05 ppm1      5.377 ppm2      1.453

ASSI {133}   (( resid 14   and name  HB2 ))   (( resid 14   and name  HA  )) 2.773 0.973 0.973 peak 24206 weight  1.00000E+00 volume  1.61260E+06 ppm1      3.870 ppm2      1.686

ASSI {134}   (( resid 69   and name  HB2 ))   (( resid 15   and name  HA  )) 3.438 1.738 3.428 peak 11114 weight  1.00000E+00 volume  2.50328E+05 ppm1      2.182 ppm2      3.168 !2

ASSI {135}   (( resid 69   and name  HB1 ))   (( resid 15   and name  HA  )) 3.567 1.867 4.388 peak 11115 weight  1.00000E+00 volume  1.91518E+05 ppm1      1.769 ppm2      3.163 !3

ASSI {136}   (( resid 17   and name  HG2 ))   (( resid 15   and name  HA  )) 3.454 1.754 3.784 peak 11352 weight  1.00000E+00 volume  2.60283E+05 ppm1      2.350 ppm2      3.171 !3

ASSI {137}   (( resid 17   and name  HG1 ))   (( resid 15   and name  HA  )) 3.41 1.71 4.321 peak 11353 weight  1.00000E+00 volume  2.91852E+05 ppm1      2.282 ppm2      3.170 !3

ASSI {138}   (( resid 68   and name  HG2 ))   (( resid 15   and name  HA  )) 3.454 1.754 2.944 peak 11876 weight  1.00000E+00 volume  2.61455E+05 ppm1      2.185 ppm2      3.161 !2

ASSI {139}   (( resid 16   and name  HA  ))   (( resid 15   and name  HA  )) 2.708 1.008 3.029 peak 15825 weight  1.00000E+00 volume  1.99087E+06 ppm1      3.168 ppm2      2.848 !3

ASSI {140}   (( resid 68   and name  HB2 ))   (( resid 15   and name  HA  )) 2.791 1.091 1.581 peak 15830 weight  1.00000E+00 volume  1.53514E+06 ppm1      3.170 ppm2      2.145 !1

ASSI {141}   (( resid 69   and name  HG1 ))   (( resid 15   and name  HA  )) 2.859 1.159 1.869 peak 15831 weight  1.00000E+00 volume  1.20989E+06 ppm1      3.170 ppm2      2.068 !1

ASSI {142}   (( resid 41   and name  HB1 ))   (( resid 15   and name  HA  )) 3.1 1.4 6.2 peak 15834 weight  1.00000E+00 volume  6.00576E+05 ppm1      3.172 ppm2      1.725 !2

ASSI {143}   (( resid 39   and name  HB2 ))   (( resid 15   and name  HA  )) 3.398 1.598 1.598 peak 15840 weight  1.00000E+00 volume  2.81715E+05 ppm1      3.168 ppm2      4.313

ASSI {144}   (( resid 69   and name  HG2 ))   (( resid 15   and name  HA  )) 3.482 1.683 1.683 peak 17979 weight  1.00000E+00 volume  2.34742E+05 ppm1      1.953 ppm2      3.177

ASSI {145}   (( resid 15   and name  HB2 ))   (( resid 15   and name  HA  )) 2.564 0.764 0.764 peak 19220 weight  1.00000E+00 volume  3.42957E+06 ppm1      2.815 ppm2      3.155

ASSI {146}   (( resid 15   and name  HB1 ))   (( resid 15   and name  HA  )) 2.581 0.781 0.781 peak 19221 weight  1.00000E+00 volume  3.10048E+06 ppm1      2.536 ppm2      3.164

ASSI {147}   (( resid 15   and name  HB1 ))   (( resid 39   and name  HA  )) 3.292 1.592 4.732 peak 19237 weight  1.00000E+00 volume  3.63065E+05 ppm1      2.534 ppm2      5.012 !2

ASSI {148}   (( resid 15   and name  HB2 ))   (( resid 17   and name  HN  )) 3.908 2.108 2.108 peak 19239 weight  1.00000E+00 volume  9.68168E+04 ppm1      2.823 ppm2      6.259

ASSI {149}   (( resid 16   and name  HN  ))   (( resid 15   and name  HB2 )) 3.977 2.177 2.177 peak 19249 weight  1.00000E+00 volume  8.05877E+04 ppm1      2.819 ppm2      8.014

ASSI {150}   (( resid 68   and name  HA  ))   (( resid 15   and name  HA  )) 3.01 1.21 1.21 peak 19419 weight  1.00000E+00 volume  8.00060E+05 ppm1      3.689 ppm2      3.175

ASSI {151}   (( resid 15   and name  HA  ))   (( resid 69   and name  HA  )) 3.576 1.776 1.776 peak 19969 weight  1.00000E+00 volume  1.84859E+05 ppm1      5.373 ppm2      3.176

ASSI {152}   (( resid 15   and name  HB1 ))   (( resid 69   and name  HA  )) 3.457 1.757 3.827 peak 19971 weight  1.00000E+00 volume  2.44723E+05 ppm1      5.377 ppm2      2.536 !2

ASSI {153}   (( resid 68   and name  HG1 ))   (( resid 15   and name  HA  )) 3.334 1.634 2.604 peak 21372 weight  1.00000E+00 volume  2.99853E+05 ppm1      1.938 ppm2      3.159 !2

ASSI {154}   (( resid 17   and name  HG2 ))   (( resid 16   and name  HA  )) 3.039 1.339 3.949 peak 11351 weight  1.00000E+00 volume  7.18054E+05 ppm1      2.349 ppm2      2.840 !3

ASSI {155}   (( resid 16   and name  HN  ))   (( resid 16   and name  HB2 )) 3.628 1.828 1.828 peak 11551 weight  1.00000E+00 volume  1.44012E+05 ppm1      2.013 ppm2      7.995

ASSI {156}   (( resid 16   and name  HN  ))   (( resid 39   and name  HA  )) 3.511 1.711 1.711 peak 12649 weight  1.00000E+00 volume  2.02462E+05 ppm1      5.016 ppm2      8.007

ASSI {157}   (( resid 39   and name  HB1 ))   (( resid 16   and name  HA  )) 3.358 1.558 1.558 peak 13135 weight  1.00000E+00 volume  3.09361E+05 ppm1      3.841 ppm2      2.858

ASSI {158}   (( resid 39   and name  HB2 ))   (( resid 16   and name  HA  )) 3.401 1.601 1.601 peak 13138 weight  1.00000E+00 volume  2.79191E+05 ppm1      4.316 ppm2      2.857

ASSI {159}   (( resid 16   and name  HN  ))   (( resid 39   and name  HB2 )) 3.34 1.539 1.539 peak 13178 weight  1.00000E+00 volume  3.30747E+05 ppm1      4.320 ppm2      7.999

ASSI {160}   (( resid 16   and name  HN  ))   (( resid 68   and name  HB2 )) 3.522 1.822 3.522 peak 15038 weight  1.00000E+00 volume  1.98010E+05 ppm1      2.132 ppm2      8.012 !2

ASSI {161}   (( resid 16   and name  HB1 ))   (( resid 16   and name  HA  )) 2.845 1.045 1.045 peak 19759 weight  1.00000E+00 volume  1.36115E+06 ppm1      2.850 ppm2      2.950

ASSI {162}   (( resid 16   and name  HB2 ))   (( resid 16   and name  HA  )) 2.989 1.189 1.189 peak 19762 weight  1.00000E+00 volume  8.41751E+05 ppm1      2.850 ppm2      2.007

ASSI {163}   (( resid 16   and name  HA  ))   (( resid 17   and name  HB1 )) 3.766 2.066 2.716 peak 19763 weight  1.00000E+00 volume  1.17163E+05 ppm1      2.852 ppm2      1.776 !1

ASSI {164}   (  resid 16   and name  HE# )   (( resid 16   and name  HA  )) 3.829 2.029 2.029 peak 19772 weight  1.00000E+00 volume  2.30648E+05 ppm1      2.850 ppm2      7.272

ASSI {165}   (( resid 17   and name  HA  ))   (( resid 17   and name  HG2 )) 2.779 0.979 0.979 peak 11358 weight  1.00000E+00 volume  1.61243E+06 ppm1      2.347 ppm2      4.647

ASSI {166}   (( resid 17   and name  HA  ))   (( resid 17   and name  HG1 )) 2.829 1.129 1.649 peak 11359 weight  1.00000E+00 volume  1.40372E+06 ppm1      2.286 ppm2      4.643 !1

ASSI {167}   (( resid 17   and name  HG2 ))   (( resid 17   and name  HN  )) 3.109 1.308 1.308 peak 11360 weight  1.00000E+00 volume  6.25293E+05 ppm1      2.349 ppm2      6.269

ASSI {168}   (( resid 17   and name  HG1 ))   (( resid 17   and name  HN  )) 3.102 1.302 1.302 peak 11361 weight  1.00000E+00 volume  6.48732E+05 ppm1      2.282 ppm2      6.265

ASSI {169}   (( resid 17   and name  HG2 ))   (( resid 18   and name  HN  )) 2.873 1.173 1.874 peak 11365 weight  1.00000E+00 volume  1.14067E+06 ppm1      2.348 ppm2      8.380 !1

ASSI {170}   (( resid 17   and name  HA  ))   (( resid 17   and name  HB2 )) 2.881 1.081 1.081 peak 13531 weight  1.00000E+00 volume  1.12807E+06 ppm1      2.285 ppm2      4.640

ASSI {171}   (( resid 17   and name  HA  ))   (( resid 17   and name  HB1 )) 2.998 1.198 1.198 peak 13532 weight  1.00000E+00 volume  7.91350E+05 ppm1      1.785 ppm2      4.625

ASSI {172}   (( resid 17   and name  HN  ))   (( resid 17   and name  HB2 )) 3.314 1.514 1.514 peak 13534 weight  1.00000E+00 volume  3.40657E+05 ppm1      2.278 ppm2      6.263

ASSI {173}   (( resid 18   and name  HA1 ))   (( resid 17   and name  HA  )) 3.013 1.313 2.443 peak 17005 weight  1.00000E+00 volume  7.38639E+05 ppm1      3.837 ppm2      4.647 !2

ASSI {174}   (( resid 18   and name  HA1 ))   (( resid 17   and name  HN  )) 3.7 1.9 1.9 peak 17009 weight  1.00000E+00 volume  1.42985E+05 ppm1      3.831 ppm2      6.266

ASSI {175}   (( resid 18   and name  HA2 ))   (( resid 17   and name  HA  )) 2.867 1.167 1.887 peak 18876 weight  1.00000E+00 volume  1.17565E+06 ppm1      4.636 ppm2      4.488 !1

ASSI {176}   (( resid 17   and name  HA  ))   (( resid 39   and name  HB2 )) 3.365 1.665 4.836 peak 18877 weight  1.00000E+00 volume  3.11614E+05 ppm1      4.646 ppm2      4.317 !3

ASSI {177}   (( resid 20   and name  HG1 ))   (( resid 17   and name  HA  )) 2.848 1.148 5.818 peak 18891 weight  1.00000E+00 volume  1.25150E+06 ppm1      4.624 ppm2      1.453 !4

ASSI {178}   (( resid 18   and name  HA1 ))   (( resid 21   and name  HN  )) 3.155 1.455 6.586 peak 11080 weight  1.00000E+00 volume  5.15229E+05 ppm1      3.846 ppm2      8.937 !4

ASSI {179}   (( resid 18   and name  HA2 ))   (( resid 19   and name  HA  )) 3.216 1.516 1.876 peak 16989 weight  1.00000E+00 volume  4.49118E+05 ppm1      4.509 ppm2      4.208 !1

ASSI {180}   (( resid 18   and name  HA1 ))   (( resid 19   and name  HA  )) 3.102 1.402 1.962 peak 18723 weight  1.00000E+00 volume  6.02901E+05 ppm1      4.191 ppm2      3.849 !1

ASSI {181}   (  resid 19   and name  HD# )   (( resid 19   and name  HA  )) 3.045 1.245 1.245 peak 11234 weight  1.00000E+00 volume  7.35126E+05 ppm1      3.346 ppm2      4.192

ASSI {182}   (  resid 19   and name  HD# )   (( resid 34   and name  HA  )) 3.415 1.715 2.275 peak 11236 weight  1.00000E+00 volume  2.70883E+05 ppm1      3.342 ppm2      4.617 !1

ASSI {183}   (( resid 19   and name  HB2 ))   (( resid 19   and name  HA  )) 2.845 1.045 1.045 peak 12574 weight  1.00000E+00 volume  1.29764E+06 ppm1      1.764 ppm2      4.183

ASSI {184}   (( resid 19   and name  HG1 ))   (( resid 19   and name  HA  )) 2.787 0.987 0.987 peak 13196 weight  1.00000E+00 volume  1.58319E+06 ppm1      1.766 ppm2      4.183

ASSI {185}   (( resid 19   and name  HG2 ))   (( resid 19   and name  HN  )) 3.083 1.383 2.574 peak 13199 weight  1.00000E+00 volume  6.17399E+05 ppm1      1.924 ppm2      8.515 !2

ASSI {186}   (( resid 19   and name  HG1 ))   (( resid 19   and name  HN  )) 3.172 1.472 1.912 peak 13200 weight  1.00000E+00 volume  4.69371E+05 ppm1      1.766 ppm2      8.513 !1

ASSI {187}   (( resid 19   and name  HG1 ))   (( resid 20   and name  HN  )) 3.3 1.5 1.5 peak 13201 weight  1.00000E+00 volume  3.56686E+05 ppm1      1.765 ppm2      8.174

ASSI {188}   (( resid 20   and name  HB2 ))   (( resid 19   and name  HA  )) 3.521 1.821 2.391 peak 13749 weight  1.00000E+00 volume  2.17017E+05 ppm1      1.362 ppm2      4.192 !1

ASSI {189}   (( resid 20   and name  HB1 ))   (( resid 19   and name  HA  )) 3.495 1.695 1.695 peak 13750 weight  1.00000E+00 volume  2.35828E+05 ppm1      1.224 ppm2      4.185

ASSI {190}   (( resid 20   and name  HA  ))   (( resid 19   and name  HG1 )) 3.686 1.886 1.886 peak 16798 weight  1.00000E+00 volume  1.36529E+05 ppm1      5.713 ppm2      1.761
OR {190}   (( resid 20   and name  HA  ))   (( resid 19   and name  HB2 ))

ASSI {191}   (( resid 20   and name  HD2 ))   (( resid 19   and name  HA  )) 3.713 2.013 2.943 peak 18725 weight  1.00000E+00 volume  1.32332E+05 ppm1      4.193 ppm2      3.079 !1

ASSI {192}   (( resid 19   and name  HG2 ))   (( resid 19   and name  HA  )) 2.709 1.009 1.719 peak 18730 weight  1.00000E+00 volume  1.92949E+06 ppm1      4.196 ppm2      1.912 !1

ASSI {193}   (( resid 20   and name  HA  ))   (( resid 19   and name  HA  )) 3.586 1.786 1.786 peak 18736 weight  1.00000E+00 volume  1.81095E+05 ppm1      4.200 ppm2      5.724

ASSI {194}   (  resid 34   and name  HD1#)   (( resid 19   and name  HN  )) 3.955 2.155 2.155 peak 19048 weight  1.00000E+00 volume  2.69176E+05 ppm1      0.866 ppm2      8.480

ASSI {195}   (( resid 19   and name  HE  ))   (( resid 19   and name  HA  )) 3.93 2.13 2.13 peak 23577 weight  1.00000E+00 volume  8.50613E+04 ppm1      4.185 ppm2      7.300

ASSI {196}   (  resid 9    and name  HG2#)   (( resid 20   and name  HA  )) 3.661 1.861 1.861 peak 11733 weight  1.00000E+00 volume  5.15589E+05 ppm1      0.546 ppm2      5.720

ASSI {197}   (( resid 20   and name  HA  ))   (( resid 20   and name  HG1 )) 3.424 1.624 1.624 peak 12784 weight  1.00000E+00 volume  2.74493E+05 ppm1      1.469 ppm2      5.711

ASSI {198}   (( resid 20   and name  HA  ))   (( resid 20   and name  HG2 )) 3.358 1.558 1.558 peak 12785 weight  1.00000E+00 volume  3.24641E+05 ppm1      1.107 ppm2      5.721

ASSI {199}   (( resid 20   and name  HG1 ))   (( resid 22   and name  HN  )) 3.339 1.639 2.539 peak 12789 weight  1.00000E+00 volume  3.43169E+05 ppm1      1.461 ppm2      7.548 !1

ASSI {200}   (( resid 20   and name  HA  ))   (( resid 20   and name  HB2 )) 2.922 1.122 1.122 peak 13757 weight  1.00000E+00 volume  1.03419E+06 ppm1      1.364 ppm2      5.717

ASSI {201}   (( resid 20   and name  HB1 ))   (( resid 20   and name  HN  )) 3.482 1.682 1.682 peak 13767 weight  1.00000E+00 volume  2.26766E+05 ppm1      1.223 ppm2      8.181

ASSI {202}   (( resid 20   and name  HA  ))   (( resid 20   and name  HB1 )) 2.894 1.095 1.095 peak 16800 weight  1.00000E+00 volume  1.13997E+06 ppm1      5.711 ppm2      1.200

ASSI {203}   (( resid 20   and name  HD2 ))   (( resid 20   and name  HN  )) 3.441 1.641 1.641 peak 17219 weight  1.00000E+00 volume  2.52733E+05 ppm1      3.071 ppm2      8.157

ASSI {204}   (( resid 20   and name  HA  ))   (( resid 21   and name  HA  )) 3.787 1.986 1.986 peak 18568 weight  1.00000E+00 volume  1.20706E+05 ppm1      4.647 ppm2      5.697

ASSI {205}   (  resid 34   and name  HD1#)   (( resid 20   and name  HA  )) 3.421 1.621 1.621 peak 19030 weight  1.00000E+00 volume  8.74759E+05 ppm1      0.869 ppm2      5.722

ASSI {206}   (  resid 34   and name  HD2#)   (( resid 20   and name  HA  )) 3.764 1.964 1.964 peak 19031 weight  1.00000E+00 volume  4.07418E+05 ppm1      0.777 ppm2      5.726

ASSI {207}   (( resid 20   and name  HA  ))   (( resid 21   and name  HB2 )) 3.979 2.179 2.179 peak 21189 weight  1.00000E+00 volume  8.17074E+04 ppm1      2.396 ppm2      5.712

ASSI {208}   (( resid 20   and name  HD2 ))   (( resid 20   and name  HA  )) 3.689 1.889 1.889 peak 23037 weight  1.00000E+00 volume  1.49224E+05 ppm1      3.064 ppm2      5.730

ASSI {209}   (( resid 20   and name  HD1 ))   (( resid 20   and name  HA  )) 3.591 1.792 1.792 peak 23038 weight  1.00000E+00 volume  1.90062E+05 ppm1      2.992 ppm2      5.736

ASSI {210}   (( resid 20   and name  HD1 ))   (( resid 20   and name  HN  )) 3.336 1.636 3.006 peak 23046 weight  1.00000E+00 volume  3.37569E+05 ppm1      2.995 ppm2      8.159 !2

ASSI {211}   (( resid 21   and name  HB2 ))   (( resid 21   and name  HN  )) 3.624 1.824 1.824 peak 11189 weight  1.00000E+00 volume  1.61331E+05 ppm1      2.399 ppm2      8.931

ASSI {212}   (  resid 21   and name  HE# )   (( resid 23   and name  HA  )) 3.848 2.048 2.048 peak 12969 weight  1.00000E+00 volume  2.04394E+05 ppm1      4.581 ppm2      6.337

ASSI {213}   (( resid 21   and name  HB1 ))   (( resid 9    and name  HA  )) 3.846 2.046 2.046 peak 13913 weight  1.00000E+00 volume  1.07623E+05 ppm1      4.618 ppm2      2.786

ASSI {214}   (( resid 21   and name  HA  ))   (( resid 22   and name  HA  )) 3.397 1.597 1.597 peak 18558 weight  1.00000E+00 volume  2.63585E+05 ppm1      4.648 ppm2      5.015

ASSI {215}   (( resid 21   and name  HA  ))   (( resid 21   and name  HB2 )) 3.168 1.369 1.369 peak 18560 weight  1.00000E+00 volume  5.16898E+05 ppm1      4.638 ppm2      2.395

ASSI {216}   (( resid 21   and name  HA  ))   (  resid 22   and name  HB# ) 3.318 1.518 1.518 peak 18561 weight  1.00000E+00 volume  3.47338E+05 ppm1      4.643 ppm2      2.186

ASSI {217}   (  resid 34   and name  HD1#)   (( resid 21   and name  HA  )) 4.093 2.293 2.293 peak 18564 weight  1.00000E+00 volume  1.89930E+05 ppm1      4.646 ppm2      0.875

ASSI {218}   (( resid 21   and name  HA  ))   (  resid 21   and name  HE# ) 3.752 1.952 1.952 peak 18569 weight  1.00000E+00 volume  2.60901E+05 ppm1      4.642 ppm2      6.332

ASSI {219}   (( resid 21   and name  HA  ))   (( resid 22   and name  HN  )) 3.004 1.204 1.204 peak 18574 weight  1.00000E+00 volume  7.96894E+05 ppm1      4.640 ppm2      7.537

ASSI {220}   (( resid 22   and name  HA  ))   (( resid 23   and name  HA  )) 2.772 1.072 1.782 peak 14061 weight  1.00000E+00 volume  1.57345E+06 ppm1      5.007 ppm2      4.595 !1

ASSI {221}   (( resid 22   and name  HA  ))   (( resid 23   and name  HN  )) 2.986 1.186 1.186 peak 14064 weight  1.00000E+00 volume  8.26015E+05 ppm1      5.004 ppm2      8.741

ASSI {222}   (  resid 22   and name  HB# )   (( resid 22   and name  HA  )) 2.85 1.05 1.05 peak 14065 weight  1.00000E+00 volume  1.27198E+06 ppm1      5.011 ppm2      2.180

ASSI {223}   (  resid 22   and name  HB# )   (( resid 9    and name  HA  )) 3.12 1.42 2.46 peak 14768 weight  1.00000E+00 volume  5.92394E+05 ppm1      2.182 ppm2      4.614 !2

ASSI {224}   (( resid 7    and name  HB2 ))   (( resid 23   and name  HA  )) 3.319 1.619 3.489 peak 12964 weight  1.00000E+00 volume  3.18864E+05 ppm1      4.579 ppm2      1.719 !2

ASSI {225}   (( resid 7    and name  HD2 ))   (( resid 23   and name  HA  )) 3.296 1.596 3.556 peak 12966 weight  1.00000E+00 volume  3.47286E+05 ppm1      4.584 ppm2      1.481 !2

ASSI {226}   (( resid 23   and name  HA  ))   (( resid 47   and name  HH2 )) 3.646 1.946 3.455 peak 12970 weight  1.00000E+00 volume  1.54804E+05 ppm1      4.583 ppm2      6.660 !2

ASSI {227}   (( resid 23   and name  HB2 ))   (( resid 23   and name  HA  )) 2.928 1.128 1.128 peak 13325 weight  1.00000E+00 volume  1.05280E+06 ppm1      3.036 ppm2      4.565

ASSI {228}   (( resid 23   and name  HB1 ))   (( resid 23   and name  HA  )) 2.908 1.108 1.108 peak 13326 weight  1.00000E+00 volume  1.14148E+06 ppm1      2.456 ppm2      4.575

ASSI {229}   (( resid 24   and name  HA  ))   (( resid 23   and name  HB1 )) 3.952 2.151 2.151 peak 13332 weight  1.00000E+00 volume  9.11531E+04 ppm1      2.447 ppm2      5.270

ASSI {230}   (( resid 24   and name  HA  ))   (( resid 23   and name  HA  )) 3.046 1.246 1.246 peak 17068 weight  1.00000E+00 volume  6.72913E+05 ppm1      5.276 ppm2      4.588

ASSI {231}   (  resid 8    and name  HG2#)   (( resid 23   and name  HA  )) 3.832 2.032 2.032 peak 17590 weight  1.00000E+00 volume  3.28332E+05 ppm1     -0.561 ppm2      4.593

ASSI {232}   (( resid 7    and name  HG2 ))   (( resid 24   and name  HA  )) 3.295 1.595 3.405 peak 10959 weight  1.00000E+00 volume  3.48902E+05 ppm1      1.207 ppm2      5.274 !2

ASSI {233}   (( resid 7    and name  HG1 ))   (( resid 24   and name  HA  )) 3.095 1.295 1.295 peak 10960 weight  1.00000E+00 volume  6.32973E+05 ppm1      1.170 ppm2      5.273

ASSI {234}   (( resid 24   and name  HN  ))   (( resid 25   and name  HB1 )) 3.85 2.05 2.05 peak 11425 weight  1.00000E+00 volume  1.07227E+05 ppm1      3.252 ppm2      8.567

ASSI {235}   (( resid 24   and name  HA  ))   (  resid 27   and name  HB# ) 3.04 1.34 4.68 peak 17072 weight  1.00000E+00 volume  6.92847E+05 ppm1      5.277 ppm2      3.429 !2

ASSI {236}   (( resid 24   and name  HA  ))   (( resid 24   and name  HB2 )) 2.722 0.922 0.922 peak 17077 weight  1.00000E+00 volume  1.92070E+06 ppm1      5.272 ppm2      2.566

ASSI {237}   (( resid 7    and name  HB2 ))   (( resid 24   and name  HA  )) 3.047 1.347 1.797 peak 17080 weight  1.00000E+00 volume  6.87324E+05 ppm1      5.278 ppm2      1.717 !1

ASSI {238}   (  resid 6    and name  HG2#)   (( resid 24   and name  HA  )) 3.783 2.083 3.193 peak 17085 weight  1.00000E+00 volume  3.57155E+05 ppm1      5.279 ppm2      0.998 !2

ASSI {239}   (( resid 24   and name  HA  ))   (( resid 47   and name  HE3 )) 3.647 1.947 3.327 peak 17090 weight  1.00000E+00 volume  1.54344E+05 ppm1      5.284 ppm2      7.171 !2

ASSI {240}   (( resid 24   and name  HA  ))   (( resid 6    and name  HN  )) 3.424 1.724 3.624 peak 17093 weight  1.00000E+00 volume  2.53705E+05 ppm1      5.277 ppm2      8.134 !2

ASSI {241}   (( resid 8    and name  HN  ))   (( resid 24   and name  HA  )) 3.007 1.207 1.207 peak 17095 weight  1.00000E+00 volume  7.77100E+05 ppm1      5.272 ppm2      8.469

ASSI {242}   (( resid 7    and name  HA  ))   (( resid 24   and name  HB2 )) 3.285 1.486 1.486 peak 23218 weight  1.00000E+00 volume  3.59003E+05 ppm1      5.006 ppm2      2.544

ASSI {243}   (( resid 25   and name  HB1 ))   (( resid 26   and name  HA  )) 2.894 1.194 3.825 peak 11418 weight  1.00000E+00 volume  1.12991E+06 ppm1      3.262 ppm2      4.896 !3

ASSI {244}   (( resid 25   and name  HB1 ))   (( resid 25   and name  HA  )) 2.886 1.086 1.086 peak 11419 weight  1.00000E+00 volume  1.16973E+06 ppm1      3.266 ppm2      4.940

ASSI {245}   (( resid 25   and name  HB2 ))   (( resid 26   and name  HA  )) 2.853 1.153 4.243 peak 11420 weight  1.00000E+00 volume  1.29342E+06 ppm1      3.153 ppm2      4.893 !3

ASSI {246}   (( resid 25   and name  HB1 ))   (( resid 26   and name  HN  )) 3.195 1.395 1.395 peak 11423 weight  1.00000E+00 volume  4.69382E+05 ppm1      3.266 ppm2      8.171

ASSI {247}   (( resid 25   and name  HB2 ))   (( resid 26   and name  HN  )) 3.13 1.33 1.33 peak 11424 weight  1.00000E+00 volume  5.64564E+05 ppm1      3.154 ppm2      8.168

ASSI {248}   (  resid 26   and name  HB# )   (( resid 25   and name  HA  )) 3.003 1.303 1.913 peak 11613 weight  1.00000E+00 volume  8.02583E+05 ppm1      2.887 ppm2      4.941 !1

ASSI {249}   (( resid 47   and name  HH2 ))   (( resid 25   and name  HA  )) 3.145 1.345 1.345 peak 14118 weight  1.00000E+00 volume  5.41944E+05 ppm1      4.931 ppm2      6.654

ASSI {250}   (  resid 85   and name  HB# )   (( resid 25   and name  HA  )) 3.559 1.759 1.759 peak 16739 weight  1.00000E+00 volume  5.85425E+05 ppm1      0.135 ppm2      4.941

ASSI {251}   (( resid 25   and name  HB2 ))   (( resid 25   and name  HA  )) 2.792 0.992 0.992 peak 19205 weight  1.00000E+00 volume  1.52201E+06 ppm1      4.932 ppm2      3.144

ASSI {252}   (( resid 25   and name  HA  ))   (( resid 47   and name  HZ3 )) 3.335 1.535 1.535 peak 19206 weight  1.00000E+00 volume  3.16997E+05 ppm1      4.931 ppm2      6.871

ASSI {253}   (  resid 26   and name  HB# )   (( resid 26   and name  HA  )) 2.991 1.191 1.191 peak 11612 weight  1.00000E+00 volume  8.27431E+05 ppm1      2.888 ppm2      4.883

ASSI {254}   (  resid 84   and name  HB# )   (( resid 26   and name  HA  )) 3.167 1.367 1.367 peak 11864 weight  1.00000E+00 volume  4.91913E+05 ppm1      1.691 ppm2      4.898

ASSI {255}   (  resid 28   and name  HB# )   (( resid 27   and name  HA  )) 3.404 1.604 1.604 peak 10822 weight  1.00000E+00 volume  9.01997E+05 ppm1      1.386 ppm2      5.011

ASSI {256}   (( resid 27   and name  HA  ))   (( resid 28   and name  HA  )) 3.419 1.619 1.619 peak 18970 weight  1.00000E+00 volume  2.73881E+05 ppm1      5.018 ppm2      3.672

ASSI {257}   (( resid 27   and name  HA  ))   (  resid 27   and name  HB# ) 2.91 1.11 1.11 peak 18971 weight  1.00000E+00 volume  1.10000E+06 ppm1      5.017 ppm2      3.445

ASSI {258}   (( resid 83   and name  HB1 ))   (( resid 28   and name  HA  )) 2.984 1.284 6.504 peak 10771 weight  1.00000E+00 volume  8.42063E+05 ppm1      3.610 ppm2      3.679 !4

ASSI {259}   (  resid 28   and name  HB# )   (( resid 28   and name  HA  )) 2.817 1.018 1.018 peak 10817 weight  1.00000E+00 volume  4.47152E+06 ppm1      1.385 ppm2      3.664

ASSI {260}   (( resid 29   and name  HA  ))   (  resid 28   and name  HB# ) 3.99 2.19 2.19 peak 10821 weight  1.00000E+00 volume  2.50632E+05 ppm1      1.389 ppm2      4.861

ASSI {261}   (  resid 28   and name  HB# )   (( resid 54   and name  HA  )) 3.263 1.463 1.463 peak 11825 weight  1.00000E+00 volume  1.21718E+06 ppm1      3.219 ppm2      1.386

ASSI {262}   (( resid 54   and name  HA  ))   (( resid 28   and name  HA  )) 3.424 1.724 2.134 peak 11826 weight  1.00000E+00 volume  2.57511E+05 ppm1      3.224 ppm2      3.658 !1

ASSI {263}   (( resid 29   and name  HA  ))   (  resid 55   and name  HD# ) 3.854 2.154 5.124 peak 13848 weight  1.00000E+00 volume  2.27123E+05 ppm1      4.878 ppm2      6.807 !3

ASSI {264}   (( resid 29   and name  HA  ))   (( resid 31   and name  HB1 )) 3.189 1.489 3.219 peak 13853 weight  1.00000E+00 volume  4.69165E+05 ppm1      4.879 ppm2      3.079 !3

ASSI {265}   (( resid 81   and name  HB2 ))   (( resid 29   and name  HA  )) 3.16 1.36 1.36 peak 13854 weight  1.00000E+00 volume  5.13908E+05 ppm1      4.882 ppm2      2.987

ASSI {266}   (( resid 29   and name  HB2 ))   (( resid 30   and name  HA  )) 3.361 1.661 2.721 peak 13984 weight  1.00000E+00 volume  3.01991E+05 ppm1      3.023 ppm2      5.049 !1

ASSI {267}   (( resid 29   and name  HA  ))   (( resid 53   and name  HA  )) 2.971 1.271 1.721 peak 22185 weight  1.00000E+00 volume  8.71343E+05 ppm1      3.968 ppm2      4.888 !1

ASSI {268}   (( resid 30   and name  HB2 ))   (( resid 30   and name  HA  )) 2.938 1.138 1.138 peak 11851 weight  1.00000E+00 volume  9.90932E+05 ppm1      5.059 ppm2      2.908

ASSI {269}   (( resid 30   and name  HB1 ))   (( resid 30   and name  HA  )) 2.934 1.134 1.134 peak 11852 weight  1.00000E+00 volume  9.76595E+05 ppm1      5.063 ppm2      2.711

ASSI {270}   (( resid 80   and name  HB1 ))   (( resid 30   and name  HN  )) 4.026 2.326 5.785 peak 12716 weight  1.00000E+00 volume  7.49633E+04 ppm1      1.567 ppm2      8.637 !3

ASSI {271}   (( resid 34   and name  HB2 ))   (( resid 30   and name  HA  )) 3.673 1.973 3.223 peak 14163 weight  1.00000E+00 volume  1.48181E+05 ppm1      1.299 ppm2      5.080 !1

ASSI {272}   (  resid 30   and name  HD# )   (( resid 53   and name  HA  )) 4.038 2.239 2.239 peak 14602 weight  1.00000E+00 volume  1.45325E+05 ppm1      3.961 ppm2      6.837

ASSI {273}   (( resid 33   and name  HB2 ))   (( resid 30   and name  HA  )) 3.841 2.041 2.041 peak 16491 weight  1.00000E+00 volume  1.05026E+05 ppm1      2.245 ppm2      5.056

ASSI {274}   (( resid 33   and name  HB1 ))   (( resid 30   and name  HA  )) 3.667 1.867 1.867 peak 16492 weight  1.00000E+00 volume  1.52186E+05 ppm1      3.104 ppm2      5.074

ASSI {275}   (( resid 30   and name  HZ  ))   (( resid 81   and name  HA  )) 3.833 2.034 2.034 peak 16696 weight  1.00000E+00 volume  1.15101E+05 ppm1      3.357 ppm2      5.754

ASSI {276}   (  resid 30   and name  HD# )   (( resid 81   and name  HA  )) 3.687 1.887 1.887 peak 16698 weight  1.00000E+00 volume  3.03352E+05 ppm1      3.368 ppm2      6.841

ASSI {277}   (  resid 30   and name  HE# )   (( resid 33   and name  HA  )) 3.709 2.009 3.219 peak 16943 weight  1.00000E+00 volume  2.70856E+05 ppm1      4.436 ppm2      6.364 !1

ASSI {278}   (( resid 30   and name  HB2 ))   (( resid 33   and name  HA  )) 3.507 1.807 2.777 peak 16950 weight  1.00000E+00 volume  2.19106E+05 ppm1      4.424 ppm2      2.918 !1

ASSI {279}   (( resid 30   and name  HB1 ))   (( resid 33   and name  HA  )) 3.255 1.555 4.534 peak 16951 weight  1.00000E+00 volume  3.91274E+05 ppm1      4.434 ppm2      2.715 !2

ASSI {280}   (( resid 30   and name  HN  ))   (  resid 32   and name  HG2#) 3.987 2.187 2.187 peak 17802 weight  1.00000E+00 volume  2.12055E+05 ppm1      0.541 ppm2      8.625

ASSI {281}   (( resid 81   and name  HB1 ))   (( resid 30   and name  HN  )) 3.245 1.545 3.306 peak 19178 weight  1.00000E+00 volume  4.37134E+05 ppm1      3.319 ppm2      8.625 !2

ASSI {282}   (  resid 30   and name  HD# )   (( resid 80   and name  HA  )) 3.641 1.941 2.821 peak 20365 weight  1.00000E+00 volume  3.15212E+05 ppm1      4.961 ppm2      6.875 !1

ASSI {283}   (( resid 35   and name  HA  ))   (( resid 31   and name  HA  )) 3.334 1.534 1.534 peak 11307 weight  1.00000E+00 volume  3.14098E+05 ppm1      4.499 ppm2      4.857

ASSI {284}   (( resid 31   and name  HA  ))   (( resid 31   and name  HB1 )) 2.925 1.125 1.125 peak 13117 weight  1.00000E+00 volume  1.01574E+06 ppm1      3.088 ppm2      4.859

ASSI {285}   (( resid 35   and name  HA  ))   (( resid 31   and name  HB2 )) 3.564 1.864 3.834 peak 13120 weight  1.00000E+00 volume  1.98479E+05 ppm1      3.567 ppm2      4.510 !2

ASSI {286}   (( resid 81   and name  HA  ))   (( resid 31   and name  HB2 )) 3.501 1.701 1.701 peak 16690 weight  1.00000E+00 volume  2.27203E+05 ppm1      3.368 ppm2      3.573

ASSI {287}   (( resid 31   and name  HA  ))   (( resid 81   and name  HA  )) 3.489 1.689 1.689 peak 16694 weight  1.00000E+00 volume  2.22658E+05 ppm1      3.367 ppm2      4.849

ASSI {288}   (( resid 31   and name  HB2 ))   (( resid 32   and name  HA  )) 2.822 1.122 3.022 peak 18060 weight  1.00000E+00 volume  1.08599E+06 ppm1      3.661 ppm2      3.553 !1

ASSI {289}   (( resid 35   and name  HA  ))   (( resid 31   and name  HE1 )) 3.178 1.377 1.377 peak 21228 weight  1.00000E+00 volume  4.62614E+05 ppm1      4.495 ppm2      8.420

ASSI {290}   (( resid 53   and name  HB2 ))   (( resid 31   and name  HA  )) 3.404 1.704 4.104 peak 23521 weight  1.00000E+00 volume  2.73363E+05 ppm1      2.163 ppm2      4.852 !2

ASSI {291}   (( resid 33   and name  HA  ))   (( resid 32   and name  HB  )) 3.777 1.978 1.978 peak 13901 weight  1.00000E+00 volume  1.25489E+05 ppm1      3.619 ppm2      4.437

ASSI {292}   (( resid 33   and name  HN  ))   (( resid 32   and name  HB  )) 3.797 1.997 1.997 peak 13904 weight  1.00000E+00 volume  1.10463E+05 ppm1      3.620 ppm2      7.276

ASSI {293}   (( resid 33   and name  HA  ))   (  resid 32   and name  HG2#) 4.1 2.3 2.3 peak 16956 weight  1.00000E+00 volume  1.85523E+05 ppm1      4.429 ppm2      0.547

ASSI {294}   (( resid 34   and name  HN  ))   (  resid 32   and name  HG2#) 3.695 1.895 1.895 peak 17799 weight  1.00000E+00 volume  4.50342E+05 ppm1      0.539 ppm2      7.311

ASSI {295}   (  resid 32   and name  HG2#)   (( resid 32   and name  HA  )) 2.961 1.161 1.161 peak 18062 weight  1.00000E+00 volume  2.90207E+06 ppm1      3.657 ppm2      0.544

ASSI {296}   (  resid 33   and name  HD# )   (( resid 32   and name  HA  )) 3.986 2.186 2.186 peak 18066 weight  1.00000E+00 volume  1.40029E+05 ppm1      3.663 ppm2      6.756

ASSI {297}   (( resid 34   and name  HB1 ))   (( resid 33   and name  HA  )) 3.788 1.989 1.989 peak 14158 weight  1.00000E+00 volume  1.25106E+05 ppm1      1.879 ppm2      4.427

ASSI {298}   (( resid 33   and name  HB1 ))   (( resid 33   and name  HA  )) 2.987 1.187 1.187 peak 16489 weight  1.00000E+00 volume  8.66547E+05 ppm1      3.104 ppm2      4.426

ASSI {299}   (( resid 33   and name  HB2 ))   (( resid 33   and name  HN  )) 3.401 1.601 1.601 peak 16499 weight  1.00000E+00 volume  2.77314E+05 ppm1      2.244 ppm2      7.282

ASSI {300}   (( resid 33   and name  HB2 ))   (( resid 33   and name  HA  )) 2.894 1.095 1.095 peak 16953 weight  1.00000E+00 volume  1.08887E+06 ppm1      4.423 ppm2      2.255

ASSI {301}   (( resid 34   and name  HB2 ))   (( resid 33   and name  HA  )) 3.59 1.79 1.79 peak 16954 weight  1.00000E+00 volume  1.79385E+05 ppm1      4.419 ppm2      1.311

ASSI {302}   (( resid 33   and name  HN  ))   (( resid 34   and name  HA  )) 3.384 1.584 1.584 peak 17618 weight  1.00000E+00 volume  2.87750E+05 ppm1      4.611 ppm2      7.297

ASSI {303}   (  resid 34   and name  HD2#)   (( resid 33   and name  HA  )) 3.838 2.138 2.908 peak 19022 weight  1.00000E+00 volume  3.16106E+05 ppm1      0.777 ppm2      4.436 !1

ASSI {304}   (  resid 34   and name  HD1#)   (( resid 33   and name  HA  )) 3.83 2.03 2.03 peak 23658 weight  1.00000E+00 volume  3.30354E+05 ppm1      0.869 ppm2      4.448

ASSI {305}   (( resid 34   and name  HB1 ))   (( resid 35   and name  HA  )) 3.405 1.605 1.605 peak 11300 weight  1.00000E+00 volume  2.83405E+05 ppm1      4.496 ppm2      1.888

ASSI {306}   (  resid 34   and name  HD1#)   (( resid 36   and name  HA  )) 3.588 1.888 2.308 peak 11410 weight  1.00000E+00 volume  5.49206E+05 ppm1      0.864 ppm2      4.796 !1

ASSI {307}   (( resid 34   and name  HB2 ))   (( resid 36   and name  HA  )) 3.766 2.066 3.036 peak 14161 weight  1.00000E+00 volume  1.22849E+05 ppm1      1.295 ppm2      4.787 !1

ASSI {308}   (( resid 34   and name  HB1 ))   (( resid 36   and name  HA  )) 3.881 2.082 2.082 peak 14162 weight  1.00000E+00 volume  9.47723E+04 ppm1      1.879 ppm2      4.797

ASSI {309}   (( resid 34   and name  HB2 ))   (( resid 35   and name  HN  )) 3.721 1.921 1.921 peak 14178 weight  1.00000E+00 volume  1.29595E+05 ppm1      1.304 ppm2      9.617

ASSI {310}   (  resid 34   and name  HD2#)   (( resid 37   and name  HA  )) 3.741 1.941 1.941 peak 16156 weight  1.00000E+00 volume  3.72271E+05 ppm1      5.321 ppm2      0.789

ASSI {311}   (( resid 34   and name  HB2 ))   (( resid 81   and name  HA  )) 3.827 2.127 3.637 peak 16693 weight  1.00000E+00 volume  1.13028E+05 ppm1      3.358 ppm2      1.313 !2

ASSI {312}   (( resid 36   and name  HA  ))   (( resid 34   and name  HG  )) 3.237 1.437 1.437 peak 17129 weight  1.00000E+00 volume  3.83301E+05 ppm1      1.698 ppm2      4.805

ASSI {313}   (  resid 35   and name  HB# )   (( resid 34   and name  HA  )) 3.192 1.393 1.393 peak 17607 weight  1.00000E+00 volume  4.66346E+05 ppm1      4.614 ppm2      3.952

ASSI {314}   (( resid 34   and name  HG  ))   (( resid 34   and name  HA  )) 2.824 1.023 1.023 peak 17613 weight  1.00000E+00 volume  1.31332E+06 ppm1      4.618 ppm2      1.704

ASSI {315}   (( resid 34   and name  HB2 ))   (( resid 34   and name  HA  )) 3.042 1.241 1.241 peak 17614 weight  1.00000E+00 volume  7.11673E+05 ppm1      4.609 ppm2      1.312

ASSI {316}   (  resid 34   and name  HD1#)   (( resid 34   and name  HA  )) 3.309 1.509 1.509 peak 17616 weight  1.00000E+00 volume  1.05783E+06 ppm1      4.612 ppm2      0.865

ASSI {317}   (  resid 34   and name  HD2#)   (( resid 34   and name  HA  )) 3.46 1.659 1.659 peak 17617 weight  1.00000E+00 volume  7.04672E+05 ppm1      4.612 ppm2      0.769

ASSI {318}   (  resid 34   and name  HD2#)   (( resid 36   and name  HA  )) 3.518 1.718 1.718 peak 19026 weight  1.00000E+00 volume  6.38521E+05 ppm1      0.785 ppm2      4.803

ASSI {319}   (  resid 34   and name  HD2#)   (( resid 36   and name  HN  )) 3.785 1.986 1.986 peak 19046 weight  1.00000E+00 volume  3.54334E+05 ppm1      0.775 ppm2      7.962

ASSI {320}   (  resid 34   and name  HD2#)   (( resid 39   and name  HA  )) 4.068 2.368 3.558 peak 21580 weight  1.00000E+00 volume  1.90689E+05 ppm1      5.016 ppm2      0.765 !1

ASSI {321}   (( resid 35   and name  HA  ))   (( resid 34   and name  HA  )) 2.894 1.194 1.704 peak 23186 weight  1.00000E+00 volume  1.06710E+06 ppm1      4.611 ppm2      4.481 !1

ASSI {322}   (( resid 36   and name  HB1 ))   (( resid 35   and name  HA  )) 3.476 1.776 3.296 peak 11299 weight  1.00000E+00 volume  2.31617E+05 ppm1      4.497 ppm2      2.069 !2

ASSI {323}   (( resid 36   and name  HA  ))   (( resid 35   and name  HA  )) 3.237 1.437 1.437 peak 11306 weight  1.00000E+00 volume  4.35408E+05 ppm1      4.497 ppm2      4.787

ASSI {324}   (( resid 35   and name  HA  ))   (  resid 35   and name  HB# ) 2.394 0.594 0.594 peak 18476 weight  1.00000E+00 volume  6.47114E+06 ppm1      3.955 ppm2      4.493

ASSI {325}   (( resid 36   and name  HA  ))   (  resid 35   and name  HB# ) 2.927 1.227 2.037 peak 18478 weight  1.00000E+00 volume  1.03251E+06 ppm1      3.952 ppm2      4.814 !1

ASSI {326}   (  resid 80   and name  HD2#)   (( resid 36   and name  HA  )) 3.627 1.927 5.267 peak 10953 weight  1.00000E+00 volume  4.91421E+05 ppm1      0.861 ppm2      4.803 !3

ASSI {327}   (  resid 80   and name  HD2#)   (( resid 36   and name  HN  )) 4.16 2.46 5.211 peak 10978 weight  1.00000E+00 volume  1.63670E+05 ppm1      0.870 ppm2      7.964 !3

ASSI {328}   (( resid 36   and name  HG1 ))   (( resid 36   and name  HA  )) 3.273 1.473 1.473 peak 12062 weight  1.00000E+00 volume  3.79053E+05 ppm1      1.788 ppm2      4.781

ASSI {329}   (( resid 36   and name  HG2 ))   (( resid 36   and name  HA  )) 3.194 1.394 1.394 peak 12064 weight  1.00000E+00 volume  4.84191E+05 ppm1      1.563 ppm2      4.793

ASSI {330}   (( resid 36   and name  HG2 ))   (( resid 38   and name  HA  )) 3.582 1.782 1.782 peak 12065 weight  1.00000E+00 volume  1.92887E+05 ppm1      1.549 ppm2      5.285

ASSI {331}   (( resid 36   and name  HG1 ))   (( resid 36   and name  HN  )) 3.666 1.866 1.866 peak 12069 weight  1.00000E+00 volume  1.44542E+05 ppm1      1.795 ppm2      7.955

ASSI {332}   (( resid 36   and name  HG2 ))   (( resid 36   and name  HN  )) 3.422 1.622 1.622 peak 12070 weight  1.00000E+00 volume  2.63752E+05 ppm1      1.560 ppm2      7.957

ASSI {333}   (( resid 36   and name  HG2 ))   (( resid 38   and name  HN  )) 3.67 1.87 1.87 peak 12072 weight  1.00000E+00 volume  1.49626E+05 ppm1      1.555 ppm2      8.504

ASSI {334}   (( resid 37   and name  HN  ))   (( resid 36   and name  HG2 )) 3.801 2.002 2.002 peak 12074 weight  1.00000E+00 volume  1.19290E+05 ppm1      1.558 ppm2      9.766

ASSI {335}   (( resid 36   and name  HB1 ))   (( resid 36   and name  HA  )) 2.79 0.99 0.99 peak 12393 weight  1.00000E+00 volume  1.51311E+06 ppm1      2.064 ppm2      4.782

ASSI {336}   (( resid 78   and name  HA  ))   (( resid 36   and name  HA  )) 3.23 1.53 3.35 peak 15436 weight  1.00000E+00 volume  4.23429E+05 ppm1      4.621 ppm2      4.796 !2

ASSI {337}   (( resid 37   and name  HB1 ))   (( resid 36   and name  HA  )) 3.622 1.822 1.822 peak 18611 weight  1.00000E+00 volume  1.70691E+05 ppm1      2.624 ppm2      4.777

ASSI {338}   (( resid 37   and name  HB2 ))   (( resid 36   and name  HA  )) 3.55 1.85 2.32 peak 18612 weight  1.00000E+00 volume  1.98418E+05 ppm1      2.746 ppm2      4.804 !1

ASSI {339}   (( resid 78   and name  HB2 ))   (( resid 36   and name  HA  )) 3.408 1.608 1.608 peak 20267 weight  1.00000E+00 volume  2.64761E+05 ppm1      3.133 ppm2      4.788

ASSI {340}   (( resid 78   and name  HB1 ))   (( resid 36   and name  HA  )) 3.51 1.81 4.43 peak 20268 weight  1.00000E+00 volume  2.24726E+05 ppm1      2.585 ppm2      4.810 !3

ASSI {341}   (( resid 38   and name  HA  ))   (( resid 36   and name  HA  )) 3.295 1.595 4.114 peak 22364 weight  1.00000E+00 volume  3.48011E+05 ppm1      5.287 ppm2      4.792 !2

ASSI {342}   (( resid 37   and name  HN  ))   (( resid 78   and name  HA  )) 3.652 1.852 1.852 peak 15444 weight  1.00000E+00 volume  1.53692E+05 ppm1      4.624 ppm2      9.784

ASSI {343}   (( resid 37   and name  HA  ))   (( resid 37   and name  HB1 )) 3.064 1.264 1.264 peak 16145 weight  1.00000E+00 volume  6.76680E+05 ppm1      5.317 ppm2      2.617

ASSI {344}   (( resid 37   and name  HA  ))   (( resid 70   and name  HB1 )) 2.883 1.183 3.653 peak 16147 weight  1.00000E+00 volume  1.12503E+06 ppm1      5.318 ppm2      2.314 !3

ASSI {345}   (( resid 37   and name  HA  ))   (( resid 37   and name  HN  )) 3.521 1.721 1.721 peak 16164 weight  1.00000E+00 volume  2.09262E+05 ppm1      5.318 ppm2      9.775

ASSI {346}   (( resid 37   and name  HB2 ))   (( resid 80   and name  HA  )) 3.756 1.957 1.957 peak 18613 weight  1.00000E+00 volume  1.27333E+05 ppm1      2.751 ppm2      4.971

ASSI {347}   (( resid 37   and name  HB1 ))   (( resid 80   and name  HA  )) 3.966 2.167 2.167 peak 18614 weight  1.00000E+00 volume  8.08344E+04 ppm1      2.621 ppm2      4.963

ASSI {348}   (( resid 37   and name  HB2 ))   (( resid 80   and name  HN  )) 3.79 1.99 1.99 peak 18619 weight  1.00000E+00 volume  1.13653E+05 ppm1      2.750 ppm2      7.151

ASSI {349}   (( resid 37   and name  HB1 ))   (( resid 80   and name  HN  )) 3.927 2.127 2.127 peak 18620 weight  1.00000E+00 volume  7.84986E+04 ppm1      2.621 ppm2      7.151

ASSI {350}   (( resid 37   and name  HB1 ))   (( resid 38   and name  HN  )) 3.795 1.995 1.995 peak 18622 weight  1.00000E+00 volume  1.12283E+05 ppm1      2.620 ppm2      8.494

ASSI {351}   (( resid 37   and name  HB1 ))   (( resid 37   and name  HN  )) 3.611 1.811 1.811 peak 18624 weight  1.00000E+00 volume  1.70850E+05 ppm1      2.621 ppm2      9.777

ASSI {352}   (( resid 37   and name  HN  ))   (( resid 78   and name  HB2 )) 3.477 1.677 1.677 peak 20281 weight  1.00000E+00 volume  2.25578E+05 ppm1      3.139 ppm2      9.770

ASSI {353}   (( resid 37   and name  HN  ))   (( resid 78   and name  HB1 )) 3.592 1.792 1.792 peak 20282 weight  1.00000E+00 volume  1.76451E+05 ppm1      2.570 ppm2      9.773

ASSI {354}   (( resid 39   and name  HA  ))   (( resid 38   and name  HA  )) 3.105 1.305 1.305 peak 14013 weight  1.00000E+00 volume  5.73946E+05 ppm1      5.286 ppm2      4.994

ASSI {355}   (( resid 38   and name  HA  ))   (( resid 70   and name  HB1 )) 2.764 0.9635 0.9635 peak 14021 weight  1.00000E+00 volume  1.69453E+06 ppm1      5.292 ppm2      2.296

ASSI {356}   (( resid 73   and name  HH2 ))   (( resid 38   and name  HA  )) 3.15 1.45 1.85 peak 15069 weight  1.00000E+00 volume  5.11761E+05 ppm1      5.292 ppm2      6.671 !1
OR {356}   (( resid 73   and name  HZ3 ))   (( resid 38   and name  HA  ))

ASSI {357}   (( resid 38   and name  HA  ))   (( resid 39   and name  HN  )) 3.037 1.237 1.237 peak 15073 weight  1.00000E+00 volume  6.99592E+05 ppm1      5.285 ppm2      8.393

ASSI {358}   (( resid 78   and name  HA  ))   (( resid 38   and name  HN  )) 3.456 1.756 3.196 peak 15443 weight  1.00000E+00 volume  2.34121E+05 ppm1      4.624 ppm2      8.490 !2

ASSI {359}   (( resid 78   and name  HA  ))   (( resid 38   and name  HB1 )) 3.195 1.495 3.825 peak 15450 weight  1.00000E+00 volume  4.94114E+05 ppm1      4.616 ppm2      2.338 !3

ASSI {360}   (( resid 70   and name  HA  ))   (( resid 38   and name  HA  )) 3.365 1.566 1.566 peak 17919 weight  1.00000E+00 volume  3.09279E+05 ppm1      1.191 ppm2      5.283

ASSI {361}   (( resid 38   and name  HB1 ))   (( resid 38   and name  HA  )) 3.073 1.273 1.273 peak 18843 weight  1.00000E+00 volume  6.25778E+05 ppm1      2.335 ppm2      5.291

ASSI {362}   (( resid 38   and name  HB2 ))   (( resid 38   and name  HA  )) 2.918 1.119 1.119 peak 18844 weight  1.00000E+00 volume  9.90289E+05 ppm1      2.776 ppm2      5.293

ASSI {363}   (( resid 38   and name  HB1 ))   (( resid 39   and name  HN  )) 3.369 1.568 1.568 peak 18852 weight  1.00000E+00 volume  2.79628E+05 ppm1      2.333 ppm2      8.393

ASSI {364}   (( resid 38   and name  HB2 ))   (( resid 69   and name  HA  )) 3.591 1.891 2.331 peak 19970 weight  1.00000E+00 volume  1.77659E+05 ppm1      5.370 ppm2      2.786 !1

ASSI {365}   (( resid 78   and name  HB2 ))   (( resid 38   and name  HA  )) 3.528 1.728 1.728 peak 24080 weight  1.00000E+00 volume  2.07030E+05 ppm1      3.142 ppm2      5.277

ASSI {366}   (( resid 39   and name  HB2 ))   (( resid 39   and name  HA  )) 2.971 1.171 1.171 peak 12618 weight  1.00000E+00 volume  8.60964E+05 ppm1      5.011 ppm2      4.317

ASSI {367}   (( resid 39   and name  HA  ))   (( resid 70   and name  HB1 )) 3.721 1.921 1.921 peak 12628 weight  1.00000E+00 volume  1.28851E+05 ppm1      5.010 ppm2      2.313

ASSI {368}   (( resid 69   and name  HG1 ))   (( resid 39   and name  HA  )) 3.508 1.808 2.218 peak 12630 weight  1.00000E+00 volume  2.15918E+05 ppm1      5.012 ppm2      2.060 !1

ASSI {369}   (  resid 72   and name  HG# )   (( resid 39   and name  HA  )) 3.685 1.985 3.035 peak 12632 weight  1.00000E+00 volume  1.43286E+05 ppm1      5.015 ppm2      1.871 !2

ASSI {370}   (( resid 40   and name  HG12))   (( resid 39   and name  HA  )) 3.559 1.859 2.479 peak 12639 weight  1.00000E+00 volume  1.68483E+05 ppm1      5.011 ppm2      0.706 !1

ASSI {371}   (  resid 40   and name  HD1#)   (( resid 39   and name  HA  )) 4.387 2.587 2.587 peak 12641 weight  1.00000E+00 volume  1.20001E+05 ppm1      5.007 ppm2     -0.603

ASSI {372}   (( resid 39   and name  HA  ))   (( resid 40   and name  HN  )) 3.135 1.335 1.335 peak 12652 weight  1.00000E+00 volume  5.32302E+05 ppm1      5.012 ppm2      9.093

ASSI {373}   (( resid 68   and name  HA  ))   (( resid 39   and name  HB2 )) 3.006 1.207 1.207 peak 13127 weight  1.00000E+00 volume  7.57328E+05 ppm1      4.325 ppm2      3.697

ASSI {374}   (( resid 68   and name  HA  ))   (( resid 39   and name  HB1 )) 2.873 1.074 1.074 peak 13128 weight  1.00000E+00 volume  1.09596E+06 ppm1      3.841 ppm2      3.690

ASSI {375}   (( resid 39   and name  HB2 ))   (( resid 70   and name  HN  )) 3.646 1.946 2.755 peak 13179 weight  1.00000E+00 volume  1.61826E+05 ppm1      4.322 ppm2      8.417 !1

ASSI {376}   (( resid 39   and name  HB2 ))   (( resid 40   and name  HN  )) 3.369 1.569 1.569 peak 13183 weight  1.00000E+00 volume  2.97445E+05 ppm1      4.320 ppm2      9.095

ASSI {377}   (( resid 70   and name  HA  ))   (( resid 39   and name  HA  )) 3.753 1.954 1.954 peak 17918 weight  1.00000E+00 volume  1.22426E+05 ppm1      1.184 ppm2      5.001

ASSI {378}   (( resid 40   and name  HA  ))   (( resid 39   and name  HN  )) 3.962 2.162 2.162 peak 18018 weight  1.00000E+00 volume  6.71390E+04 ppm1      5.384 ppm2      8.382

ASSI {379}   (  resid 62   and name  HD1#)   (( resid 39   and name  HA  )) 3.203 1.503 3.703 peak 19671 weight  1.00000E+00 volume  1.48495E+06 ppm1      0.277 ppm2      5.019 !3

ASSI {380}   (( resid 39   and name  HB2 ))   (( resid 69   and name  HA  )) 3.707 1.907 1.907 peak 19965 weight  1.00000E+00 volume  1.30901E+05 ppm1      5.380 ppm2      4.314

ASSI {381}   (( resid 39   and name  HA  ))   (( resid 69   and name  HA  )) 3.492 1.692 1.692 peak 23959 weight  1.00000E+00 volume  2.21833E+05 ppm1      5.375 ppm2      5.023

ASSI {382}   (( resid 41   and name  HA  ))   (( resid 40   and name  HG12)) 3.162 1.462 3.351 peak 11256 weight  1.00000E+00 volume  4.94958E+05 ppm1      4.997 ppm2      0.715 !2

ASSI {383}   (( resid 42   and name  HA  ))   (( resid 40   and name  HG12)) 2.834 1.134 5.164 peak 11649 weight  1.00000E+00 volume  1.42195E+06 ppm1      4.233 ppm2      0.713 !3

ASSI {384}   (  resid 66   and name  HB# )   (( resid 40   and name  HA  )) 3.925 2.225 2.985 peak 13062 weight  1.00000E+00 volume  9.74047E+04 ppm1      1.994 ppm2      5.357 !1

ASSI {385}   (( resid 40   and name  HB  ))   (( resid 66   and name  HA  )) 3.817 2.117 2.517 peak 14461 weight  1.00000E+00 volume  1.13283E+05 ppm1      1.179 ppm2      4.828 !1

ASSI {386}   (( resid 40   and name  HB  ))   (( resid 40   and name  HN  )) 3.269 1.469 1.469 peak 14470 weight  1.00000E+00 volume  4.08413E+05 ppm1      1.178 ppm2      9.090

ASSI {387}   (( resid 67   and name  HB1 ))   (( resid 40   and name  HN  )) 3.697 1.897 1.897 peak 16911 weight  1.00000E+00 volume  1.29281E+05 ppm1      3.817 ppm2      9.097

ASSI {388}   (( resid 70   and name  HA  ))   (  resid 40   and name  HD1#) 4.461 2.661 2.661 peak 17902 weight  1.00000E+00 volume  1.04051E+05 ppm1      1.171 ppm2     -0.600

ASSI {389}   (( resid 40   and name  HA  ))   (( resid 69   and name  HA  )) 2.732 1.032 5.183 peak 17998 weight  1.00000E+00 volume  1.85045E+06 ppm1      5.375 ppm2      5.375 !3

ASSI {390}   (( resid 41   and name  HB2 ))   (( resid 40   and name  HA  )) 3.678 1.877 1.877 peak 18005 weight  1.00000E+00 volume  1.39783E+05 ppm1      5.380 ppm2      1.687
OR {390}   (( resid 41   and name  HE2 ))   (( resid 40   and name  HA  ))

ASSI {391}   (( resid 40   and name  HG12))   (( resid 40   and name  HA  )) 3.103 1.303 1.303 peak 18009 weight  1.00000E+00 volume  6.17795E+05 ppm1      5.373 ppm2      0.709

ASSI {392}   (  resid 40   and name  HG2#)   (( resid 40   and name  HA  )) 3.334 1.534 1.534 peak 18011 weight  1.00000E+00 volume  1.02814E+06 ppm1      5.381 ppm2      0.248

ASSI {393}   (  resid 62   and name  HD2#)   (( resid 40   and name  HA  )) 4.439 2.639 2.639 peak 18013 weight  1.00000E+00 volume  1.02325E+05 ppm1      5.376 ppm2     -0.255

ASSI {394}   (  resid 40   and name  HD1#)   (( resid 40   and name  HA  )) 3.78 1.98 1.98 peak 18014 weight  1.00000E+00 volume  3.78023E+05 ppm1      5.384 ppm2     -0.593

ASSI {395}   (( resid 40   and name  HB  ))   (( resid 69   and name  HA  )) 3.57 1.87 3.56 peak 19978 weight  1.00000E+00 volume  1.85510E+05 ppm1      5.369 ppm2      1.160 !2

ASSI {396}   (  resid 40   and name  HD1#)   (( resid 73   and name  HA  )) 4.334 2.534 2.534 peak 20039 weight  1.00000E+00 volume  1.24208E+05 ppm1      5.312 ppm2     -0.582

ASSI {397}   (( resid 9    and name  HB  ))   (( resid 40   and name  HA  )) 3.79 1.99 1.99 peak 20818 weight  1.00000E+00 volume  1.13883E+05 ppm1      3.522 ppm2      5.357

ASSI {398}   (( resid 41   and name  HA  ))   (( resid 42   and name  HA  )) 3.173 1.373 1.373 peak 11244 weight  1.00000E+00 volume  4.86623E+05 ppm1      4.998 ppm2      4.223

ASSI {399}   (( resid 41   and name  HA  ))   (( resid 41   and name  HE1 )) 3.127 1.327 1.327 peak 11249 weight  1.00000E+00 volume  5.40299E+05 ppm1      4.995 ppm2      1.949

ASSI {400}   (( resid 41   and name  HB1 ))   (( resid 41   and name  HA  )) 2.877 1.077 1.077 peak 11250 weight  1.00000E+00 volume  1.12582E+06 ppm1      4.997 ppm2      1.734

ASSI {401}   (  resid 9    and name  HG2#)   (( resid 41   and name  HA  )) 4.337 2.537 2.537 peak 11257 weight  1.00000E+00 volume  1.17159E+05 ppm1      4.996 ppm2      0.545

ASSI {402}   (( resid 41   and name  HA  ))   (  resid 8    and name  HG2#) 3.98 2.28 4.02 peak 11260 weight  1.00000E+00 volume  2.25915E+05 ppm1      4.999 ppm2     -0.567 !2

ASSI {403}   (( resid 41   and name  HA  ))   (( resid 41   and name  HG1 )) 3.154 1.354 1.354 peak 11532 weight  1.00000E+00 volume  5.27522E+05 ppm1      0.803 ppm2      4.990

ASSI {404}   (( resid 41   and name  HA  ))   (( resid 41   and name  HG2 )) 3.165 1.365 1.365 peak 11533 weight  1.00000E+00 volume  4.93567E+05 ppm1      1.297 ppm2      4.998

ASSI {405}   (( resid 41   and name  HB2 ))   (( resid 42   and name  HA  )) 3.584 1.784 1.784 peak 11644 weight  1.00000E+00 volume  1.84369E+05 ppm1      4.239 ppm2      1.674
OR {405}   (( resid 42   and name  HA  ))   (( resid 41   and name  HE2 ))

ASSI {406}   (( resid 41   and name  HA  ))   (  resid 66   and name  HB# ) 3.416 1.616 1.616 peak 13060 weight  1.00000E+00 volume  2.66407E+05 ppm1      1.995 ppm2      4.992

ASSI {407}   (( resid 41   and name  HB2 ))   (( resid 9    and name  HA  )) 3.603 1.903 4.923 peak 13916 weight  1.00000E+00 volume  1.74520E+05 ppm1      4.613 ppm2      1.690 !2

ASSI {408}   (( resid 41   and name  HA  ))   (( resid 41   and name  HE2 )) 3.519 1.72 1.72 peak 14432 weight  1.00000E+00 volume  2.08293E+05 ppm1      1.695 ppm2      4.976

ASSI {409}   (( resid 41   and name  HE2 ))   (( resid 43   and name  HA  )) 3.123 1.423 2.863 peak 15659 weight  1.00000E+00 volume  5.53915E+05 ppm1      4.488 ppm2      1.694 !2
OR {409}   (( resid 41   and name  HB2 ))   (( resid 43   and name  HA  ))

ASSI {410}   (( resid 41   and name  HB1 ))   (( resid 66   and name  HA  )) 3.291 1.491 1.491 peak 17143 weight  1.00000E+00 volume  3.52219E+05 ppm1      1.738 ppm2      4.822

ASSI {411}   (( resid 41   and name  HB1 ))   (( resid 42   and name  HN  )) 3.389 1.589 1.589 peak 17150 weight  1.00000E+00 volume  2.91334E+05 ppm1      1.748 ppm2      9.323

ASSI {412}   (( resid 41   and name  HA  ))   (( resid 43   and name  HB1 )) 3.473 1.773 4.733 peak 17546 weight  1.00000E+00 volume  2.31472E+05 ppm1      2.056 ppm2      4.981 !2

ASSI {413}   (( resid 41   and name  HA  ))   (( resid 42   and name  HB  )) 3.229 1.529 2.509 peak 20672 weight  1.00000E+00 volume  3.99761E+05 ppm1      2.482 ppm2      4.993 !1

ASSI {414}   (( resid 41   and name  HA  ))   (( resid 9    and name  HB  )) 3.411 1.711 2.621 peak 20819 weight  1.00000E+00 volume  2.82284E+05 ppm1      3.522 ppm2      4.979 !2

ASSI {415}   (( resid 41   and name  HA  ))   (( resid 47   and name  HD1 )) 3.078 1.378 4.898 peak 21213 weight  1.00000E+00 volume  6.26073E+05 ppm1      5.000 ppm2      6.985 !2

ASSI {416}   (( resid 42   and name  HN  ))   (  resid 42   and name  HG2#) 3.63 1.83 1.83 peak 11479 weight  1.00000E+00 volume  5.23971E+05 ppm1      1.081 ppm2      9.313

ASSI {417}   (( resid 42   and name  HA  ))   (( resid 64   and name  HA  )) 3.111 1.411 3.241 peak 11638 weight  1.00000E+00 volume  5.92593E+05 ppm1      4.239 ppm2      4.018 !2

ASSI {418}   (( resid 42   and name  HA  ))   (( resid 43   and name  HB1 )) 3.361 1.661 2.291 peak 11642 weight  1.00000E+00 volume  3.09003E+05 ppm1      4.234 ppm2      2.074 !1

ASSI {419}   (( resid 42   and name  HA  ))   (  resid 46   and name  HG2#) 3.817 2.117 5.397 peak 11648 weight  1.00000E+00 volume  3.52140E+05 ppm1      4.236 ppm2      0.896 !4

ASSI {420}   (( resid 42   and name  HA  ))   (( resid 8    and name  HG11)) 3.338 1.538 1.538 peak 11650 weight  1.00000E+00 volume  3.34325E+05 ppm1      4.244 ppm2      0.520

ASSI {421}   (( resid 42   and name  HA  ))   (  resid 8    and name  HD1#) 3.944 2.144 2.144 peak 11652 weight  1.00000E+00 volume  2.57669E+05 ppm1      4.229 ppm2     -0.068

ASSI {422}   (( resid 42   and name  HA  ))   (( resid 8    and name  HB  )) 3.456 1.656 1.656 peak 11653 weight  1.00000E+00 volume  2.48205E+05 ppm1      4.238 ppm2     -0.356

ASSI {423}   (( resid 42   and name  HA  ))   (  resid 8    and name  HG2#) 3.987 2.187 2.187 peak 11654 weight  1.00000E+00 volume  2.45504E+05 ppm1      4.245 ppm2     -0.560

ASSI {424}   (( resid 42   and name  HA  ))   (( resid 8    and name  HG12)) 3.505 1.705 1.705 peak 11655 weight  1.00000E+00 volume  2.31343E+05 ppm1      4.243 ppm2     -0.779

ASSI {425}   (( resid 42   and name  HA  ))   (( resid 47   and name  HD1 )) 3.691 1.89 1.89 peak 11658 weight  1.00000E+00 volume  1.43672E+05 ppm1      4.240 ppm2      6.973
OR {425}   (( resid 42   and name  HA  ))   (( resid 47   and name  HZ2 ))

ASSI {426}   (( resid 42   and name  HA  ))   (( resid 44   and name  HN  )) 2.946 1.246 1.586 peak 11660 weight  1.00000E+00 volume  9.57422E+05 ppm1      4.240 ppm2      8.441 !1

ASSI {427}   (( resid 42   and name  HA  ))   (( resid 42   and name  HN  )) 3.711 1.911 1.911 peak 11662 weight  1.00000E+00 volume  1.29601E+05 ppm1      4.239 ppm2      9.334

ASSI {428}   (( resid 42   and name  HA  ))   (( resid 66   and name  HG1 )) 3.574 1.874 4.294 peak 14617 weight  1.00000E+00 volume  1.82894E+05 ppm1      1.901 ppm2      4.229 !2

ASSI {429}   (( resid 42   and name  HN  ))   (( resid 66   and name  HG2 )) 3.466 1.766 2.896 peak 14631 weight  1.00000E+00 volume  2.60181E+05 ppm1      2.275 ppm2      9.325 !2

ASSI {430}   (( resid 43   and name  HA  ))   (  resid 42   and name  HG2#) 3.867 2.067 2.067 peak 15661 weight  1.00000E+00 volume  2.95498E+05 ppm1      4.499 ppm2      1.079

ASSI {431}   (( resid 43   and name  HA  ))   (  resid 42   and name  HG1#) 4.192 2.392 2.392 peak 15664 weight  1.00000E+00 volume  1.59458E+05 ppm1      4.494 ppm2      0.752

ASSI {432}   (( resid 7    and name  HA  ))   (  resid 42   and name  HG1#) 3.569 1.769 1.769 peak 17665 weight  1.00000E+00 volume  5.43593E+05 ppm1      5.002 ppm2      0.760

ASSI {433}   (( resid 66   and name  HA  ))   (  resid 42   and name  HG1#) 3.912 2.212 3.692 peak 18718 weight  1.00000E+00 volume  2.46936E+05 ppm1      4.832 ppm2      0.740 !2

ASSI {434}   (( resid 64   and name  HA  ))   (  resid 42   and name  HG2#) 3.048 1.248 1.248 peak 20486 weight  1.00000E+00 volume  2.19858E+06 ppm1      4.007 ppm2      1.074

ASSI {435}   (( resid 42   and name  HN  ))   (( resid 7    and name  HB1 )) 3.34 1.64 4.51 peak 20518 weight  1.00000E+00 volume  3.32416E+05 ppm1      1.648 ppm2      9.339 !2

ASSI {436}   (( resid 64   and name  HA  ))   (( resid 42   and name  HB  )) 2.787 0.987 0.987 peak 20669 weight  1.00000E+00 volume  1.47199E+06 ppm1      2.476 ppm2      4.009

ASSI {437}   (( resid 42   and name  HB  ))   (( resid 65   and name  HN  )) 2.976 1.276 1.696 peak 20676 weight  1.00000E+00 volume  7.98519E+05 ppm1      2.477 ppm2      8.655 !1

ASSI {438}   (( resid 42   and name  HN  ))   (( resid 42   and name  HB  )) 3.238 1.438 1.438 peak 20677 weight  1.00000E+00 volume  4.08259E+05 ppm1      2.489 ppm2      9.315

ASSI {439}   (( resid 42   and name  HA  ))   (( resid 66   and name  HG2 )) 3.154 1.454 4.094 peak 22191 weight  1.00000E+00 volume  5.61356E+05 ppm1      2.271 ppm2      4.229 !1

ASSI {440}   (( resid 43   and name  HG2 ))   (( resid 44   and name  HN  )) 3.184 1.484 2.044 peak 11743 weight  1.00000E+00 volume  4.76345E+05 ppm1      2.212 ppm2      8.442 !1

ASSI {441}   (( resid 43   and name  HB1 ))   (( resid 6    and name  HA  )) 3.552 1.852 3.812 peak 15082 weight  1.00000E+00 volume  1.89972E+05 ppm1      4.534 ppm2      2.068 !2

ASSI {442}   (( resid 43   and name  HB2 ))   (( resid 6    and name  HA  )) 3.522 1.822 4.072 peak 15083 weight  1.00000E+00 volume  2.08851E+05 ppm1      4.538 ppm2      1.888 !3

ASSI {443}   (( resid 43   and name  HA  ))   (( resid 44   and name  HA2 )) 3.123 1.323 1.323 peak 15648 weight  1.00000E+00 volume  5.47554E+05 ppm1      4.489 ppm2      4.086

ASSI {444}   (( resid 43   and name  HA  ))   (  resid 7    and name  HE# ) 3.409 1.609 1.609 peak 15655 weight  1.00000E+00 volume  2.53507E+05 ppm1      4.493 ppm2      2.711

ASSI {445}   (( resid 43   and name  HA  ))   (( resid 43   and name  HG2 )) 2.907 1.107 1.107 peak 15656 weight  1.00000E+00 volume  1.00352E+06 ppm1      4.489 ppm2      2.204

ASSI {446}   (( resid 43   and name  HA  ))   (( resid 43   and name  HB1 )) 2.716 0.916 0.916 peak 15657 weight  1.00000E+00 volume  1.95597E+06 ppm1      4.492 ppm2      2.068

ASSI {447}   (( resid 43   and name  HA  ))   (  resid 8    and name  HD1#) 4.441 2.741 3.78 peak 15667 weight  1.00000E+00 volume  1.08734E+05 ppm1      4.500 ppm2     -0.046 !1

ASSI {448}   (( resid 43   and name  HA  ))   (  resid 67   and name  HE# ) 3.866 2.166 5.636 peak 15669 weight  1.00000E+00 volume  2.04802E+05 ppm1      4.493 ppm2      6.853 !3

ASSI {449}   (( resid 8    and name  HN  ))   (( resid 43   and name  HG2 )) 3.159 1.459 4.468 peak 17361 weight  1.00000E+00 volume  4.99580E+05 ppm1      2.205 ppm2      8.472 !2

ASSI {450}   (( resid 7    and name  HA  ))   (( resid 43   and name  HB2 )) 3.066 1.366 2.575 peak 17660 weight  1.00000E+00 volume  6.43217E+05 ppm1      5.002 ppm2      1.904 !2

ASSI {451}   (( resid 7    and name  HD2 ))   (( resid 44   and name  HN  )) 3.412 1.712 4.041 peak 15742 weight  1.00000E+00 volume  2.55459E+05 ppm1      1.484 ppm2      8.446 !2

ASSI {452}   (  resid 8    and name  HG2#)   (( resid 44   and name  HN  )) 3.29 1.59 5.14 peak 17601 weight  1.00000E+00 volume  1.15248E+06 ppm1     -0.562 ppm2      8.447 !3

ASSI {453}   (( resid 8    and name  HA  ))   (( resid 44   and name  HA2 )) 3.287 1.587 4.727 peak 18774 weight  1.00000E+00 volume  3.76577E+05 ppm1      4.085 ppm2      4.473 !2

ASSI {454}   (( resid 44   and name  HA2 ))   (( resid 6    and name  HA  )) 3.353 1.553 1.553 peak 18775 weight  1.00000E+00 volume  2.96448E+05 ppm1      4.085 ppm2      4.525

ASSI {455}   (( resid 44   and name  HA2 ))   (( resid 45   and name  HN  )) 3.211 1.411 1.411 peak 18778 weight  1.00000E+00 volume  4.31219E+05 ppm1      4.080 ppm2      8.091

ASSI {456}   (( resid 44   and name  HA2 ))   (( resid 44   and name  HN  )) 3.312 1.513 1.513 peak 18779 weight  1.00000E+00 volume  3.38917E+05 ppm1      4.081 ppm2      8.436

ASSI {457}   (( resid 44   and name  HA1 ))   (( resid 45   and name  HN  )) 3.145 1.345 1.345 peak 18780 weight  1.00000E+00 volume  5.37740E+05 ppm1      4.237 ppm2      8.089

ASSI {458}   (( resid 44   and name  HA1 ))   (( resid 44   and name  HN  )) 3.275 1.475 1.475 peak 18781 weight  1.00000E+00 volume  3.64434E+05 ppm1      4.234 ppm2      8.445

ASSI {459}   (( resid 46   and name  HA  ))   (( resid 44   and name  HA1 )) 3.878 2.178 4.358 peak 18783 weight  1.00000E+00 volume  9.38527E+04 ppm1      4.230 ppm2      4.841 !3

ASSI {460}   (( resid 44   and name  HA1 ))   (( resid 6    and name  HA  )) 3.16 1.36 1.36 peak 18784 weight  1.00000E+00 volume  5.37510E+05 ppm1      4.239 ppm2      4.527

ASSI {461}   (( resid 44   and name  HA1 ))   (( resid 7    and name  HN  )) 3.608 1.808 1.808 peak 18794 weight  1.00000E+00 volume  1.58304E+05 ppm1      4.230 ppm2      8.604

ASSI {462}   (( resid 64   and name  HG2 ))   (( resid 45   and name  HN  )) 3.326 1.526 1.526 peak 11334 weight  1.00000E+00 volume  3.19798E+05 ppm1      2.478 ppm2      8.096

ASSI {463}   (( resid 46   and name  HA  ))   (( resid 45   and name  HA2 )) 2.99 1.29 1.741 peak 20186 weight  1.00000E+00 volume  8.51461E+05 ppm1      4.853 ppm2      4.037 !1

ASSI {464}   (( resid 46   and name  HA  ))   (( resid 45   and name  HA1 )) 3.298 1.498 1.498 peak 20187 weight  1.00000E+00 volume  3.47436E+05 ppm1      4.855 ppm2      3.853

ASSI {465}   (( resid 46   and name  HA  ))   (( resid 63   and name  HB2 )) 3.127 1.427 2.036 peak 11500 weight  1.00000E+00 volume  5.53156E+05 ppm1      2.102 ppm2      4.849 !1

ASSI {466}   (( resid 46   and name  HA  ))   (( resid 63   and name  HB1 )) 3.013 1.213 1.213 peak 11501 weight  1.00000E+00 volume  7.89403E+05 ppm1      2.446 ppm2      4.849

ASSI {467}   (( resid 46   and name  HA  ))   (  resid 63   and name  HG# ) 3.389 1.689 3.029 peak 12307 weight  1.00000E+00 volume  2.76497E+05 ppm1      2.001 ppm2      4.853 !2

ASSI {468}   (( resid 46   and name  HB  ))   (( resid 47   and name  HA  )) 2.892 1.192 1.902 peak 13379 weight  1.00000E+00 volume  1.15408E+06 ppm1      3.641 ppm2      4.818 !1

ASSI {469}   (( resid 46   and name  HB  ))   (( resid 47   and name  HN  )) 3.439 1.639 1.639 peak 13383 weight  1.00000E+00 volume  2.46280E+05 ppm1      3.647 ppm2      8.573

ASSI {470}   (( resid 46   and name  HA  ))   (( resid 63   and name  HD2 )) 3.343 1.643 2.982 peak 18246 weight  1.00000E+00 volume  3.27405E+05 ppm1      4.146 ppm2      4.856 !2

ASSI {471}   (( resid 88   and name  HA  ))   (( resid 46   and name  HB  )) 2.541 0.841 2.871 peak 19586 weight  1.00000E+00 volume  3.61215E+06 ppm1      4.539 ppm2      3.639 !2

ASSI {472}   (  resid 46   and name  HG2#)   (( resid 64   and name  HA  )) 3.84 2.04 2.04 peak 20487 weight  1.00000E+00 volume  3.36736E+05 ppm1      4.006 ppm2      0.885

ASSI {473}   (( resid 46   and name  HA  ))   (( resid 64   and name  HA  )) 3.416 1.616 1.616 peak 20490 weight  1.00000E+00 volume  2.65899E+05 ppm1      4.015 ppm2      4.863

ASSI {474}   (( resid 61   and name  HB  ))   (( resid 46   and name  HA  )) 3.488 1.788 3.888 peak 23812 weight  1.00000E+00 volume  2.22582E+05 ppm1      2.052 ppm2      4.839 !1

ASSI {475}   (( resid 85   and name  HA  ))   (( resid 47   and name  HN  )) 3.8 2.0 2.0 peak 12611 weight  1.00000E+00 volume  1.14071E+05 ppm1      3.217 ppm2      8.571

ASSI {476}   (( resid 8    and name  HA  ))   (( resid 47   and name  HD1 )) 3.274 1.474 1.474 peak 13572 weight  1.00000E+00 volume  3.54679E+05 ppm1      4.491 ppm2      6.964
OR {476}   (( resid 8    and name  HA  ))   (( resid 47   and name  HZ2 ))

ASSI {477}   (  resid 6    and name  HG2#)   (( resid 47   and name  HA  )) 3.846 2.046 2.046 peak 13868 weight  1.00000E+00 volume  3.22297E+05 ppm1      0.989 ppm2      4.818

ASSI {478}   (  resid 61   and name  HD1#)   (( resid 47   and name  HA  )) 3.742 2.042 3.502 peak 14755 weight  1.00000E+00 volume  3.97328E+05 ppm1      0.663 ppm2      4.819 !2

ASSI {479}   (  resid 61   and name  HG2#)   (( resid 47   and name  HN  )) 3.888 2.087 2.087 peak 15995 weight  1.00000E+00 volume  2.88563E+05 ppm1      0.672 ppm2      8.585

ASSI {480}   (( resid 47   and name  HA  ))   (  resid 49   and name  HG2#) 3.884 2.084 2.084 peak 16643 weight  1.00000E+00 volume  2.81232E+05 ppm1      0.826 ppm2      4.816

ASSI {481}   (( resid 7    and name  HA  ))   (( resid 47   and name  HH2 )) 3.41 1.611 1.611 peak 17669 weight  1.00000E+00 volume  2.68447E+05 ppm1      5.005 ppm2      6.643

ASSI {482}   (( resid 63   and name  HD1 ))   (( resid 47   and name  HN  )) 3.538 1.838 2.258 peak 18251 weight  1.00000E+00 volume  1.97055E+05 ppm1      3.648 ppm2      8.590 !1

ASSI {483}   (  resid 48   and name  HB# )   (( resid 47   and name  HA  )) 3.448 1.648 1.648 peak 19390 weight  1.00000E+00 volume  7.95385E+05 ppm1      1.111 ppm2      4.821

ASSI {484}   (  resid 86   and name  HG2#)   (( resid 47   and name  HA  )) 3.171 1.371 1.371 peak 19792 weight  1.00000E+00 volume  1.59687E+06 ppm1      0.630 ppm2      4.822

ASSI {485}   (  resid 84   and name  HB# )   (( resid 47   and name  HA  )) 3.328 1.628 3.008 peak 23533 weight  1.00000E+00 volume  3.09042E+05 ppm1      4.816 ppm2      1.683 !2

ASSI {486}   (( resid 83   and name  HB1 ))   (( resid 48   and name  HN  )) 3.634 1.834 1.834 peak 10807 weight  1.00000E+00 volume  1.66309E+05 ppm1      3.619 ppm2      9.525

ASSI {487}   (  resid 48   and name  HB# )   (( resid 85   and name  HA  )) 4.112 2.312 2.312 peak 12595 weight  1.00000E+00 volume  1.88164E+05 ppm1      3.217 ppm2      1.128

ASSI {488}   (( resid 48   and name  HA  ))   (( resid 85   and name  HA  )) 3.931 2.231 2.951 peak 12606 weight  1.00000E+00 volume  9.20744E+04 ppm1      3.206 ppm2      5.172 !1

ASSI {489}   (( resid 48   and name  HA  ))   (( resid 49   and name  HA  )) 3.203 1.403 1.403 peak 14397 weight  1.00000E+00 volume  4.53144E+05 ppm1      5.352 ppm2      5.184

ASSI {490}   (  resid 48   and name  HB# )   (( resid 49   and name  HA  )) 3.606 1.806 1.806 peak 14405 weight  1.00000E+00 volume  5.17238E+05 ppm1      5.351 ppm2      1.133

ASSI {491}   (  resid 61   and name  HD1#)   (( resid 48   and name  HA  )) 3.199 1.398 1.398 peak 14756 weight  1.00000E+00 volume  1.45249E+06 ppm1      0.664 ppm2      5.173

ASSI {492}   (  resid 62   and name  HD1#)   (( resid 48   and name  HA  )) 4.224 2.424 2.424 peak 15939 weight  1.00000E+00 volume  1.60033E+05 ppm1      5.182 ppm2      0.282

ASSI {493}   (( resid 48   and name  HA  ))   (  resid 49   and name  HG2#) 3.457 1.657 1.657 peak 16645 weight  1.00000E+00 volume  7.68606E+05 ppm1      0.830 ppm2      5.163

ASSI {494}   (( resid 48   and name  HA  ))   (  resid 49   and name  HG1#) 3.525 1.725 1.725 peak 16648 weight  1.00000E+00 volume  6.86110E+05 ppm1      1.068 ppm2      5.160

ASSI {495}   (  resid 49   and name  HG1#)   (( resid 48   and name  HN  )) 4.149 2.349 2.349 peak 16669 weight  1.00000E+00 volume  1.86276E+05 ppm1      1.069 ppm2      9.529

ASSI {496}   (  resid 49   and name  HG2#)   (( resid 48   and name  HN  )) 4.269 2.469 2.469 peak 16670 weight  1.00000E+00 volume  1.38463E+05 ppm1      0.838 ppm2      9.521

ASSI {497}   (  resid 48   and name  HB# )   (( resid 48   and name  HA  )) 2.958 1.158 1.158 peak 19391 weight  1.00000E+00 volume  2.96216E+06 ppm1      1.115 ppm2      5.170

ASSI {498}   (  resid 48   and name  HB# )   (( resid 83   and name  HA  )) 3.51 1.71 1.71 peak 19393 weight  1.00000E+00 volume  6.99309E+05 ppm1      1.118 ppm2      6.453

ASSI {499}   (  resid 48   and name  HB# )   (( resid 49   and name  HN  )) 3.557 1.757 1.757 peak 19401 weight  1.00000E+00 volume  6.12868E+05 ppm1      1.116 ppm2      9.071

ASSI {500}   (  resid 48   and name  HB# )   (( resid 48   and name  HN  )) 3.295 1.495 1.495 peak 19402 weight  1.00000E+00 volume  1.16115E+06 ppm1      1.116 ppm2      9.531

ASSI {501}   (  resid 48   and name  HB# )   (( resid 84   and name  HN  )) 3.846 2.046 2.046 peak 19403 weight  1.00000E+00 volume  3.87535E+05 ppm1      1.115 ppm2     10.098

ASSI {502}   (( resid 48   and name  HA  ))   (( resid 83   and name  HA  )) 3.761 1.961 1.961 peak 19605 weight  1.00000E+00 volume  1.23947E+05 ppm1      6.438 ppm2      5.174

ASSI {503}   (  resid 86   and name  HG2#)   (( resid 48   and name  HA  )) 3.823 2.023 2.023 peak 19794 weight  1.00000E+00 volume  3.39567E+05 ppm1      0.630 ppm2      5.159

ASSI {504}   (  resid 86   and name  HG2#)   (( resid 48   and name  HN  )) 3.498 1.698 1.698 peak 19797 weight  1.00000E+00 volume  6.87697E+05 ppm1      0.629 ppm2      9.526

ASSI {505}   (( resid 48   and name  HA  ))   (  resid 84   and name  HG# ) 3.704 2.004 3.474 peak 22644 weight  1.00000E+00 volume  1.50488E+05 ppm1      5.181 ppm2      1.320 !2

ASSI {506}   (( resid 60   and name  HA  ))   (( resid 49   and name  HN  )) 2.896 1.196 2.596 peak 12265 weight  1.00000E+00 volume  1.07395E+06 ppm1      4.629 ppm2      9.086 !2

ASSI {507}   (( resid 49   and name  HB  ))   (( resid 50   and name  HA  )) 3.504 1.704 1.704 peak 13275 weight  1.00000E+00 volume  2.13943E+05 ppm1      5.598 ppm2      2.312

ASSI {508}   (( resid 50   and name  HA  ))   (( resid 49   and name  HN  )) 3.784 1.984 1.984 peak 13287 weight  1.00000E+00 volume  1.07000E+05 ppm1      5.588 ppm2      9.071

ASSI {509}   (( resid 51   and name  HB2 ))   (( resid 49   and name  HA  )) 3.801 2.101 4.401 peak 13698 weight  1.00000E+00 volume  1.09390E+05 ppm1      2.615 ppm2      5.371 !2

ASSI {510}   (( resid 49   and name  HA  ))   (( resid 50   and name  HA  )) 3.771 1.971 1.971 peak 14395 weight  1.00000E+00 volume  1.20814E+05 ppm1      5.346 ppm2      5.575

ASSI {511}   (( resid 83   and name  HB2 ))   (( resid 49   and name  HA  )) 3.374 1.574 1.574 peak 14399 weight  1.00000E+00 volume  2.98704E+05 ppm1      5.343 ppm2      3.714

ASSI {512}   (( resid 85   and name  HA  ))   (( resid 49   and name  HA  )) 3.697 1.997 5.597 peak 14400 weight  1.00000E+00 volume  1.38530E+05 ppm1      5.353 ppm2      3.195 !3

ASSI {513}   (( resid 81   and name  HB1 ))   (( resid 49   and name  HA  )) 3.72 2.02 3.559 peak 14401 weight  1.00000E+00 volume  1.26728E+05 ppm1      5.354 ppm2      3.340 !1

ASSI {514}   (( resid 49   and name  HB  ))   (( resid 49   and name  HA  )) 2.948 1.148 1.148 peak 14402 weight  1.00000E+00 volume  9.26412E+05 ppm1      5.348 ppm2      2.310

ASSI {515}   (( resid 49   and name  HA  ))   (  resid 55   and name  HD# ) 3.655 1.955 2.655 peak 14409 weight  1.00000E+00 volume  3.03080E+05 ppm1      5.349 ppm2      6.795 !1

ASSI {516}   (  resid 61   and name  HD1#)   (( resid 49   and name  HN  )) 3.888 2.087 2.087 peak 14758 weight  1.00000E+00 volume  2.96683E+05 ppm1      0.663 ppm2      9.086

ASSI {517}   (  resid 49   and name  HG2#)   (( resid 51   and name  HA  )) 3.961 2.161 2.161 peak 16214 weight  1.00000E+00 volume  2.59682E+05 ppm1      4.742 ppm2      0.845

ASSI {518}   (( resid 8    and name  HA  ))   (  resid 49   and name  HG1#) 4.043 2.244 2.244 peak 16638 weight  1.00000E+00 volume  2.67979E+05 ppm1      1.086 ppm2      4.492

ASSI {519}   (( resid 8    and name  HA  ))   (  resid 49   and name  HG2#) 4.065 2.365 4.085 peak 16641 weight  1.00000E+00 volume  1.93967E+05 ppm1      0.838 ppm2      4.499 !2

ASSI {520}   (  resid 49   and name  HG2#)   (( resid 49   and name  HA  )) 3.538 1.738 1.738 peak 16646 weight  1.00000E+00 volume  6.56029E+05 ppm1      0.833 ppm2      5.346

ASSI {521}   (  resid 49   and name  HG1#)   (( resid 49   and name  HA  )) 3.123 1.323 1.323 peak 16647 weight  1.00000E+00 volume  1.85668E+06 ppm1      1.070 ppm2      5.338

ASSI {522}   (( resid 83   and name  HA  ))   (  resid 49   and name  HG1#) 3.341 1.541 1.541 peak 16653 weight  1.00000E+00 volume  1.02803E+06 ppm1      1.068 ppm2      6.439

ASSI {523}   (( resid 83   and name  HA  ))   (  resid 49   and name  HG2#) 4.005 2.205 2.205 peak 16654 weight  1.00000E+00 volume  2.41384E+05 ppm1      0.828 ppm2      6.440

ASSI {524}   (( resid 49   and name  HB  ))   (( resid 60   and name  HA  )) 2.924 1.224 4.634 peak 17290 weight  1.00000E+00 volume  1.04604E+06 ppm1      2.283 ppm2      4.651 !3

ASSI {525}   (( resid 83   and name  HA  ))   (( resid 49   and name  HA  )) 3.053 1.253 1.253 peak 19603 weight  1.00000E+00 volume  7.04017E+05 ppm1      6.446 ppm2      5.338

ASSI {526}   (( resid 83   and name  HA  ))   (( resid 49   and name  HB  )) 3.33 1.63 3.0 peak 21341 weight  1.00000E+00 volume  3.44190E+05 ppm1      2.307 ppm2      6.433 !2

ASSI {527}   (  resid 49   and name  HG1#)   (( resid 49   and name  HN  )) 3.554 1.755 1.755 peak 22871 weight  1.00000E+00 volume  5.91680E+05 ppm1      1.074 ppm2      9.057

ASSI {528}   (( resid 50   and name  HA  ))   (( resid 59   and name  HA  )) 3.184 1.384 1.384 peak 13269 weight  1.00000E+00 volume  4.89708E+05 ppm1      5.586 ppm2      5.109

ASSI {529}   (( resid 51   and name  HB2 ))   (( resid 50   and name  HA  )) 3.401 1.601 1.601 peak 13273 weight  1.00000E+00 volume  2.71769E+05 ppm1      5.596 ppm2      2.613

ASSI {530}   (( resid 51   and name  HB1 ))   (( resid 50   and name  HA  )) 3.381 1.581 1.581 peak 13274 weight  1.00000E+00 volume  2.88994E+05 ppm1      5.592 ppm2      2.480

ASSI {531}   (  resid 79   and name  HG# )   (( resid 50   and name  HA  )) 3.385 1.685 4.145 peak 13277 weight  1.00000E+00 volume  2.89383E+05 ppm1      5.604 ppm2      1.604 !2

ASSI {532}   (( resid 52   and name  HG2 ))   (( resid 50   and name  HA  )) 3.429 1.729 4.72 peak 13278 weight  1.00000E+00 volume  2.59562E+05 ppm1      5.595 ppm2      1.417 !2

ASSI {533}   (  resid 80   and name  HD1#)   (( resid 50   and name  HA  )) 3.937 2.137 2.137 peak 13279 weight  1.00000E+00 volume  2.61800E+05 ppm1      5.597 ppm2      1.198

ASSI {534}   (( resid 50   and name  HA  ))   (  resid 55   and name  HD# ) 3.654 1.954 2.584 peak 13282 weight  1.00000E+00 volume  3.31045E+05 ppm1      5.598 ppm2      6.807 !1

ASSI {535}   (( resid 51   and name  HA  ))   (( resid 50   and name  HA  )) 3.626 1.826 1.826 peak 16199 weight  1.00000E+00 volume  1.84053E+05 ppm1      4.742 ppm2      5.586

ASSI {536}   (( resid 55   and name  HA  ))   (( resid 50   and name  HA  )) 3.98 2.18 2.18 peak 16720 weight  1.00000E+00 volume  8.33502E+04 ppm1      3.018 ppm2      5.581

ASSI {537}   (( resid 50   and name  HB2 ))   (( resid 50   and name  HA  )) 3.417 1.616 1.616 peak 16902 weight  1.00000E+00 volume  2.69464E+05 ppm1      3.215 ppm2      5.596

ASSI {538}   (( resid 50   and name  HB2 ))   (( resid 81   and name  HA  )) 2.934 1.234 3.584 peak 19540 weight  1.00000E+00 volume  9.39107E+05 ppm1      3.221 ppm2      3.375 !1

ASSI {539}   (( resid 50   and name  HB1 ))   (( resid 53   and name  HA  )) 3.546 1.746 1.746 peak 19544 weight  1.00000E+00 volume  1.95247E+05 ppm1      3.313 ppm2      3.953

ASSI {540}   (( resid 50   and name  HB1 ))   (( resid 50   and name  HA  )) 3.378 1.578 1.578 peak 19546 weight  1.00000E+00 volume  3.06194E+05 ppm1      3.313 ppm2      5.581

ASSI {541}   (( resid 50   and name  HB1 ))   (( resid 51   and name  HN  )) 3.765 1.965 1.965 peak 19552 weight  1.00000E+00 volume  1.19750E+05 ppm1      3.330 ppm2      9.617

ASSI {542}   (( resid 50   and name  HB2 ))   (( resid 53   and name  HA  )) 3.442 1.642 1.642 peak 22928 weight  1.00000E+00 volume  2.49768E+05 ppm1      3.217 ppm2      3.962

ASSI {543}   (( resid 50   and name  HB2 ))   (( resid 59   and name  HA  )) 3.087 1.387 4.407 peak 22934 weight  1.00000E+00 volume  6.23556E+05 ppm1      3.225 ppm2      5.133 !3

ASSI {544}   (  resid 80   and name  HD2#)   (( resid 51   and name  HA  )) 3.636 1.836 1.836 peak 10952 weight  1.00000E+00 volume  4.79113E+05 ppm1      0.863 ppm2      4.751

ASSI {545}   (( resid 79   and name  HB1 ))   (( resid 51   and name  HA  )) 2.963 1.163 1.163 peak 12916 weight  1.00000E+00 volume  8.76909E+05 ppm1      1.817 ppm2      4.749

ASSI {546}   (( resid 51   and name  HB2 ))   (( resid 58   and name  HA  )) 3.416 1.716 2.156 peak 13691 weight  1.00000E+00 volume  2.59871E+05 ppm1      2.611 ppm2      4.227 !1

ASSI {547}   (( resid 53   and name  HD2 ))   (( resid 51   and name  HA  )) 3.477 1.777 3.927 peak 16204 weight  1.00000E+00 volume  2.67151E+05 ppm1      4.747 ppm2      3.349 !1

ASSI {548}   (( resid 51   and name  HG1 ))   (( resid 51   and name  HA  )) 3.216 1.416 1.416 peak 16206 weight  1.00000E+00 volume  4.77947E+05 ppm1      4.734 ppm2      2.696

ASSI {549}   (( resid 80   and name  HB1 ))   (( resid 51   and name  HA  )) 3.364 1.664 2.713 peak 16210 weight  1.00000E+00 volume  2.90663E+05 ppm1      4.739 ppm2      1.559 !2

ASSI {550}   (( resid 52   and name  HG1 ))   (( resid 51   and name  HA  )) 3.336 1.636 2.646 peak 16211 weight  1.00000E+00 volume  3.19106E+05 ppm1      4.742 ppm2      1.498 !1

ASSI {551}   (( resid 79   and name  HA  ))   (( resid 51   and name  HG2 )) 3.309 1.609 2.039 peak 16237 weight  1.00000E+00 volume  3.38898E+05 ppm1      1.989 ppm2      4.698 !1

ASSI {552}   (( resid 51   and name  HG2 ))   (( resid 51   and name  HA  )) 3.23 1.43 1.43 peak 16238 weight  1.00000E+00 volume  4.13890E+05 ppm1      1.991 ppm2      4.745

ASSI {553}   (( resid 52   and name  HN  ))   (( resid 51   and name  HG1 )) 3.521 1.721 1.721 peak 16243 weight  1.00000E+00 volume  2.09830E+05 ppm1      2.706 ppm2      8.261

ASSI {554}   (( resid 52   and name  HA  ))   (( resid 51   and name  HG2 )) 3.186 1.385 1.385 peak 18887 weight  1.00000E+00 volume  4.82043E+05 ppm1      4.630 ppm2      1.973

ASSI {555}   (( resid 79   and name  HA  ))   (( resid 51   and name  HG1 )) 3.293 1.593 1.994 peak 20829 weight  1.00000E+00 volume  3.53611E+05 ppm1      4.702 ppm2      2.690 !1

ASSI {556}   (( resid 51   and name  HB1 ))   (( resid 51   and name  HA  )) 3.338 1.538 1.538 peak 21909 weight  1.00000E+00 volume  2.92187E+05 ppm1      2.480 ppm2      4.756

ASSI {557}   (( resid 51   and name  HB1 ))   (( resid 52   and name  HA  )) 3.388 1.588 1.588 peak 23624 weight  1.00000E+00 volume  2.82545E+05 ppm1      4.630 ppm2      2.472

ASSI {558}   (( resid 51   and name  HG1 ))   (( resid 80   and name  HA  )) 3.567 1.767 1.767 peak 24112 weight  1.00000E+00 volume  1.81998E+05 ppm1      4.989 ppm2      2.715

ASSI {559}   (( resid 52   and name  HA  ))   (( resid 52   and name  HB1 )) 2.906 1.106 1.106 peak 13965 weight  1.00000E+00 volume  1.01707E+06 ppm1      1.228 ppm2      4.627

ASSI {560}   (( resid 52   and name  HB1 ))   (( resid 56   and name  HA  )) 3.377 1.677 3.387 peak 13968 weight  1.00000E+00 volume  2.84911E+05 ppm1      1.231 ppm2      4.920 !2

ASSI {561}   (( resid 52   and name  HN  ))   (( resid 52   and name  HB1 )) 3.562 1.762 1.762 peak 13973 weight  1.00000E+00 volume  1.75865E+05 ppm1      1.218 ppm2      8.261

ASSI {562}   (( resid 52   and name  HG2 ))   (( resid 56   and name  HA  )) 3.255 1.555 4.275 peak 14010 weight  1.00000E+00 volume  4.23339E+05 ppm1      4.910 ppm2      1.437 !2

ASSI {563}   (( resid 52   and name  HG1 ))   (( resid 52   and name  HA  )) 2.896 1.095 1.095 peak 15274 weight  1.00000E+00 volume  1.07911E+06 ppm1      1.484 ppm2      4.616

ASSI {564}   (( resid 52   and name  HG2 ))   (( resid 52   and name  HA  )) 3.021 1.22 1.22 peak 15275 weight  1.00000E+00 volume  7.55574E+05 ppm1      1.420 ppm2      4.617

ASSI {565}   (( resid 52   and name  HA  ))   (  resid 56   and name  HB# ) 3.638 1.938 2.378 peak 16056 weight  1.00000E+00 volume  5.22562E+05 ppm1      1.256 ppm2      4.616 !1

ASSI {566}   (( resid 52   and name  HN  ))   (  resid 56   and name  HB# ) 3.59 1.79 1.79 peak 16062 weight  1.00000E+00 volume  5.88734E+05 ppm1      1.254 ppm2      8.260

ASSI {567}   (( resid 52   and name  HD2 ))   (( resid 52   and name  HA  )) 3.174 1.374 1.374 peak 17200 weight  1.00000E+00 volume  5.08933E+05 ppm1      3.092 ppm2      4.628

ASSI {568}   (( resid 52   and name  HD1 ))   (( resid 52   and name  HN  )) 3.281 1.581 2.041 peak 18058 weight  1.00000E+00 volume  3.80603E+05 ppm1      2.981 ppm2      8.275 !1

ASSI {569}   (( resid 53   and name  HB1 ))   (( resid 52   and name  HA  )) 3.039 1.339 2.309 peak 18551 weight  1.00000E+00 volume  7.17780E+05 ppm1      1.592 ppm2      4.624 !1

ASSI {570}   (  resid 79   and name  HG# )   (( resid 52   and name  HA  )) 3.045 1.245 1.245 peak 18890 weight  1.00000E+00 volume  6.63057E+05 ppm1      4.631 ppm2      1.625

ASSI {571}   (( resid 81   and name  HB1 ))   (( resid 52   and name  HA  )) 3.042 1.241 1.241 peak 19160 weight  1.00000E+00 volume  7.48679E+05 ppm1      3.321 ppm2      4.634

ASSI {572}   (( resid 81   and name  HB2 ))   (( resid 52   and name  HA  )) 3.082 1.382 1.812 peak 19163 weight  1.00000E+00 volume  6.57949E+05 ppm1      2.977 ppm2      4.644 !1

ASSI {573}   (( resid 53   and name  HD2 ))   (( resid 52   and name  HA  )) 2.913 1.114 1.114 peak 19938 weight  1.00000E+00 volume  1.07104E+06 ppm1      3.351 ppm2      4.623

ASSI {574}   (( resid 53   and name  HD1 ))   (( resid 52   and name  HA  )) 2.799 0.999 0.999 peak 19939 weight  1.00000E+00 volume  1.50021E+06 ppm1      3.596 ppm2      4.626

ASSI {575}   (( resid 52   and name  HD2 ))   (( resid 58   and name  HA  )) 3.901 2.201 4.931 peak 23411 weight  1.00000E+00 volume  8.79653E+04 ppm1      4.233 ppm2      3.097 !2

ASSI {576}   (( resid 53   and name  HB1 ))   (( resid 54   and name  HA  )) 3.478 1.778 2.138 peak 11822 weight  1.00000E+00 volume  2.39135E+05 ppm1      3.221 ppm2      1.579 !1

ASSI {577}   (( resid 53   and name  HB2 ))   (( resid 54   and name  HA  )) 3.3 1.5 1.5 peak 11823 weight  1.00000E+00 volume  3.61667E+05 ppm1      3.222 ppm2      2.162

ASSI {578}   (( resid 53   and name  HG1 ))   (( resid 54   and name  HA  )) 3.495 1.795 3.745 peak 11824 weight  1.00000E+00 volume  2.17149E+05 ppm1      3.223 ppm2      1.877 !2

ASSI {579}   (( resid 54   and name  HA  ))   (( resid 53   and name  HA  )) 3.207 1.406 1.406 peak 11827 weight  1.00000E+00 volume  4.67097E+05 ppm1      3.224 ppm2      3.954

ASSI {580}   (  resid 79   and name  HG# )   (( resid 53   and name  HA  )) 2.987 1.287 4.317 peak 14590 weight  1.00000E+00 volume  8.68034E+05 ppm1      3.956 ppm2      1.623 !2

ASSI {581}   (( resid 55   and name  HA  ))   (( resid 53   and name  HA  )) 3.732 1.932 1.932 peak 16717 weight  1.00000E+00 volume  1.42956E+05 ppm1      3.009 ppm2      3.964

ASSI {582}   (( resid 53   and name  HB2 ))   (( resid 53   and name  HA  )) 2.938 1.138 1.138 peak 18547 weight  1.00000E+00 volume  9.54566E+05 ppm1      2.155 ppm2      3.939

ASSI {583}   (( resid 53   and name  HB1 ))   (( resid 53   and name  HA  )) 2.995 1.195 1.195 peak 18548 weight  1.00000E+00 volume  8.26990E+05 ppm1      1.602 ppm2      3.945

ASSI {584}   (( resid 81   and name  HB2 ))   (( resid 53   and name  HA  )) 3.312 1.512 1.512 peak 19157 weight  1.00000E+00 volume  3.68499E+05 ppm1      2.981 ppm2      3.968

ASSI {585}   (( resid 81   and name  HB1 ))   (( resid 53   and name  HA  )) 3.275 1.475 1.475 peak 19158 weight  1.00000E+00 volume  4.00135E+05 ppm1      3.321 ppm2      3.953

ASSI {586}   (( resid 53   and name  HD1 ))   (( resid 53   and name  HA  )) 3.303 1.503 1.503 peak 19934 weight  1.00000E+00 volume  3.54006E+05 ppm1      3.596 ppm2      3.950

ASSI {587}   (( resid 53   and name  HD2 ))   (( resid 53   and name  HA  )) 3.693 1.893 1.893 peak 19935 weight  1.00000E+00 volume  1.43619E+05 ppm1      3.344 ppm2      3.950

ASSI {588}   (( resid 54   and name  HB2 ))   (( resid 54   and name  HA  )) 2.706 0.906 0.906 peak 11820 weight  1.00000E+00 volume  2.00153E+06 ppm1      3.225 ppm2      2.728

ASSI {589}   (( resid 54   and name  HA  ))   (( resid 55   and name  HN  )) 3.235 1.435 1.435 peak 11831 weight  1.00000E+00 volume  4.30918E+05 ppm1      3.230 ppm2      7.426

ASSI {590}   (( resid 54   and name  HA  ))   (( resid 54   and name  HN  )) 3.127 1.327 1.327 peak 11833 weight  1.00000E+00 volume  5.40013E+05 ppm1      3.220 ppm2      9.931

ASSI {591}   (( resid 54   and name  HB1 ))   (( resid 54   and name  HN  )) 3.89 2.09 2.09 peak 12934 weight  1.00000E+00 volume  9.07053E+04 ppm1      2.658 ppm2      9.923

ASSI {592}   (( resid 55   and name  HA  ))   (  resid 56   and name  HB# ) 4.145 2.345 2.345 peak 16714 weight  1.00000E+00 volume  1.78596E+05 ppm1      3.018 ppm2      1.247

ASSI {593}   (( resid 55   and name  HA  ))   (( resid 56   and name  HA  )) 3.468 1.667 1.667 peak 16719 weight  1.00000E+00 volume  2.26470E+05 ppm1      3.012 ppm2      4.915

ASSI {594}   (( resid 55   and name  HA  ))   (( resid 56   and name  HN  )) 3.376 1.576 1.576 peak 16721 weight  1.00000E+00 volume  3.04280E+05 ppm1      3.017 ppm2      6.354

ASSI {595}   (( resid 55   and name  HA  ))   (( resid 55   and name  HN  )) 3.286 1.486 1.486 peak 16723 weight  1.00000E+00 volume  5.03635E+05 ppm1      3.016 ppm2      7.411
OR {595}   (( resid 55   and name  HA  ))   (  resid 55   and name  HE# )

ASSI {596}   (( resid 55   and name  HA  ))   (  resid 55   and name  HB# ) 2.708 0.9085 0.9085 peak 17370 weight  1.00000E+00 volume  1.98701E+06 ppm1      1.724 ppm2      3.013

ASSI {597}   (( resid 56   and name  HA  ))   (  resid 55   and name  HB# ) 3.326 1.526 1.526 peak 17378 weight  1.00000E+00 volume  3.24110E+05 ppm1      1.729 ppm2      4.920

ASSI {598}   (( resid 56   and name  HN  ))   (  resid 55   and name  HB# ) 3.321 1.521 1.521 peak 17380 weight  1.00000E+00 volume  3.45835E+05 ppm1      1.729 ppm2      6.358

ASSI {599}   (( resid 81   and name  HB1 ))   (( resid 55   and name  HN  )) 4.031 2.231 2.231 peak 19173 weight  1.00000E+00 volume  7.78799E+04 ppm1      3.328 ppm2      7.425

ASSI {600}   (( resid 83   and name  HA  ))   (  resid 55   and name  HB# ) 3.62 1.92 4.531 peak 19613 weight  1.00000E+00 volume  1.66768E+05 ppm1      6.444 ppm2      1.725 !3

ASSI {601}   (( resid 83   and name  HA  ))   (  resid 55   and name  HD# ) 3.4 1.7 2.11 peak 19620 weight  1.00000E+00 volume  5.61197E+05 ppm1      6.443 ppm2      6.811 !1

ASSI {602}   (( resid 56   and name  HA  ))   (  resid 56   and name  HB# ) 2.655 0.8545 0.8545 peak 16054 weight  1.00000E+00 volume  7.64068E+06 ppm1      1.258 ppm2      4.902

ASSI {603}   (( resid 81   and name  HB2 ))   (( resid 56   and name  HN  )) 4.059 2.26 2.26 peak 19168 weight  1.00000E+00 volume  6.74064E+04 ppm1      2.973 ppm2      6.361

ASSI {604}   (  resid 76   and name  HD1#)   (( resid 58   and name  HA  )) 3.892 2.192 3.362 peak 18274 weight  1.00000E+00 volume  2.88580E+05 ppm1      4.211 ppm2      0.736 !1

ASSI {605}   (  resid 76   and name  HD2#)   (( resid 58   and name  HA  )) 4.43 2.73 3.17 peak 18275 weight  1.00000E+00 volume  1.08316E+05 ppm1      4.209 ppm2      0.600 !1

ASSI {606}   (  resid 61   and name  HD1#)   (( resid 59   and name  HA  )) 3.114 1.414 2.753 peak 14752 weight  1.00000E+00 volume  1.81915E+06 ppm1      0.665 ppm2      5.115 !2

ASSI {607}   (( resid 60   and name  HB1 ))   (( resid 59   and name  HA  )) 3.778 1.978 1.978 peak 16311 weight  1.00000E+00 volume  1.10197E+05 ppm1      2.341 ppm2      5.114

ASSI {608}   (( resid 60   and name  HB2 ))   (( resid 60   and name  HA  )) 2.927 1.127 1.127 peak 12255 weight  1.00000E+00 volume  9.57856E+05 ppm1      4.651 ppm2      3.225

ASSI {609}   (  resid 62   and name  HD1#)   (( resid 60   and name  HA  )) 3.893 2.193 3.403 peak 12261 weight  1.00000E+00 volume  2.76010E+05 ppm1      4.646 ppm2      0.284 !2

ASSI {610}   (  resid 61   and name  HD1#)   (( resid 60   and name  HA  )) 3.891 2.091 2.091 peak 14750 weight  1.00000E+00 volume  2.89541E+05 ppm1      0.670 ppm2      4.646

ASSI {611}   (  resid 61   and name  HG2#)   (( resid 60   and name  HA  )) 4.008 2.208 2.208 peak 15990 weight  1.00000E+00 volume  2.25658E+05 ppm1      0.681 ppm2      4.629

ASSI {612}   (( resid 60   and name  HB1 ))   (( resid 60   and name  HA  )) 3.178 1.378 1.378 peak 16308 weight  1.00000E+00 volume  4.95430E+05 ppm1      2.349 ppm2      4.641

ASSI {613}   (( resid 63   and name  HD1 ))   (( resid 60   and name  HA  )) 3.259 1.559 4.239 peak 18243 weight  1.00000E+00 volume  3.82831E+05 ppm1      3.659 ppm2      4.651 !2

ASSI {614}   (( resid 61   and name  HB  ))   (( resid 60   and name  HA  )) 3.351 1.55 1.55 peak 19512 weight  1.00000E+00 volume  3.15373E+05 ppm1      2.051 ppm2      4.629

ASSI {615}   (( resid 61   and name  HG12))   (( resid 61   and name  HA  )) 3.269 1.469 1.469 peak 11759 weight  1.00000E+00 volume  3.58234E+05 ppm1      1.511 ppm2      4.967

ASSI {616}   (( resid 61   and name  HG12))   (( resid 61   and name  HN  )) 3.312 1.513 1.513 peak 11760 weight  1.00000E+00 volume  3.33356E+05 ppm1      1.520 ppm2      8.180

ASSI {617}   (  resid 61   and name  HG2#)   (( resid 61   and name  HN  )) 3.696 1.896 1.896 peak 15994 weight  1.00000E+00 volume  4.44564E+05 ppm1      0.681 ppm2      8.174

ASSI {618}   (( resid 62   and name  HN  ))   (  resid 61   and name  HG2#) 3.341 1.541 1.541 peak 15998 weight  1.00000E+00 volume  1.01705E+06 ppm1      0.677 ppm2      9.636

ASSI {619}   (  resid 61   and name  HG2#)   (( resid 62   and name  HA  )) 3.571 1.77 1.77 peak 18749 weight  1.00000E+00 volume  5.33393E+05 ppm1      5.046 ppm2      0.696

ASSI {620}   (  resid 80   and name  HD2#)   (( resid 61   and name  HA  )) 3.792 2.092 3.291 peak 20658 weight  1.00000E+00 volume  3.66030E+05 ppm1      4.982 ppm2      0.866 !1

ASSI {621}   (  resid 62   and name  HD1#)   (( resid 61   and name  HA  )) 3.881 2.082 2.082 peak 20660 weight  1.00000E+00 volume  2.88762E+05 ppm1      4.972 ppm2      0.281

ASSI {622}   (( resid 61   and name  HB  ))   (( resid 61   and name  HA  )) 3.24 1.441 1.441 peak 23813 weight  1.00000E+00 volume  4.20632E+05 ppm1      2.049 ppm2      4.979

ASSI {623}   (  resid 62   and name  HD1#)   (( resid 72   and name  HA  )) 4.352 2.652 3.502 peak 10703 weight  1.00000E+00 volume  1.18271E+05 ppm1      4.371 ppm2      0.271 !1

ASSI {624}   (( resid 62   and name  HN  ))   (( resid 62   and name  HB1 )) 3.571 1.77 1.77 peak 11047 weight  1.00000E+00 volume  1.75068E+05 ppm1      1.399 ppm2      9.638

ASSI {625}   (  resid 62   and name  HD2#)   (( resid 67   and name  HA  )) 4.108 2.308 2.308 peak 13894 weight  1.00000E+00 volume  1.97642E+05 ppm1      5.168 ppm2     -0.226

ASSI {626}   (( resid 62   and name  HG  ))   (( resid 73   and name  HA  )) 3.284 1.484 1.484 peak 17785 weight  1.00000E+00 volume  3.87465E+05 ppm1      1.101 ppm2      5.303

ASSI {627}   (( resid 62   and name  HG  ))   (( resid 67   and name  HN  )) 3.526 1.826 6.446 peak 17791 weight  1.00000E+00 volume  2.12912E+05 ppm1      1.102 ppm2      9.268 !4

ASSI {628}   (( resid 62   and name  HN  ))   (( resid 62   and name  HG  )) 3.518 1.718 1.718 peak 17792 weight  1.00000E+00 volume  2.05935E+05 ppm1      1.103 ppm2      9.631

ASSI {629}   (( resid 62   and name  HA  ))   (( resid 63   and name  HD1 )) 2.568 0.768 0.768 peak 18244 weight  1.00000E+00 volume  3.27264E+06 ppm1      3.660 ppm2      5.026

ASSI {630}   (( resid 62   and name  HA  ))   (( resid 63   and name  HD2 )) 2.769 0.969 0.969 peak 18740 weight  1.00000E+00 volume  1.64875E+06 ppm1      5.045 ppm2      4.146

ASSI {631}   (( resid 62   and name  HA  ))   (( resid 73   and name  HB2 )) 3.596 1.796 1.796 peak 18742 weight  1.00000E+00 volume  1.77732E+05 ppm1      5.052 ppm2      3.464

ASSI {632}   (  resid 62   and name  HD1#)   (( resid 62   and name  HA  )) 3.621 1.821 1.821 peak 18750 weight  1.00000E+00 volume  5.23401E+05 ppm1      5.050 ppm2      0.279

ASSI {633}   (  resid 62   and name  HD2#)   (( resid 62   and name  HA  )) 3.644 1.845 1.845 peak 18751 weight  1.00000E+00 volume  5.04533E+05 ppm1      5.045 ppm2     -0.237

ASSI {634}   (  resid 62   and name  HD2#)   (( resid 73   and name  HA  )) 3.508 1.708 1.708 peak 19673 weight  1.00000E+00 volume  6.93388E+05 ppm1     -0.240 ppm2      5.317

ASSI {635}   (  resid 62   and name  HD1#)   (( resid 72   and name  HN  )) 4.528 2.728 2.728 peak 19685 weight  1.00000E+00 volume  8.93130E+04 ppm1      0.277 ppm2      8.036

ASSI {636}   (  resid 62   and name  HD2#)   (( resid 67   and name  HN  )) 3.815 2.015 2.015 peak 19689 weight  1.00000E+00 volume  3.49905E+05 ppm1     -0.241 ppm2      9.250

ASSI {637}   (  resid 62   and name  HD1#)   (( resid 67   and name  HN  )) 4.288 2.488 2.488 peak 19690 weight  1.00000E+00 volume  1.36792E+05 ppm1      0.275 ppm2      9.262

ASSI {638}   (  resid 62   and name  HD1#)   (( resid 73   and name  HA  )) 3.565 1.765 1.765 peak 20037 weight  1.00000E+00 volume  5.95566E+05 ppm1      5.317 ppm2      0.280

ASSI {639}   (( resid 63   and name  HB1 ))   (( resid 64   and name  HN  )) 2.803 1.003 1.003 peak 11503 weight  1.00000E+00 volume  1.40501E+06 ppm1      2.452 ppm2      8.555

ASSI {640}   (( resid 64   and name  HN  ))   (  resid 63   and name  HG# ) 3.409 1.609 1.609 peak 12309 weight  1.00000E+00 volume  2.51881E+05 ppm1      2.000 ppm2      8.550

ASSI {641}   (( resid 67   and name  HA  ))   (( resid 63   and name  HD2 )) 3.716 2.016 4.506 peak 13879 weight  1.00000E+00 volume  1.35154E+05 ppm1      5.163 ppm2      4.135 !2

ASSI {642}   (( resid 63   and name  HD1 ))   (( resid 73   and name  HA  )) 3.567 1.867 3.367 peak 20040 weight  1.00000E+00 volume  1.87623E+05 ppm1      5.319 ppm2      3.646 !2

ASSI {643}   (( resid 63   and name  HA  ))   (( resid 63   and name  HB1 )) 2.721 0.921 0.921 peak 20303 weight  1.00000E+00 volume  1.95867E+06 ppm1      5.060 ppm2      2.447

ASSI {644}   (( resid 64   and name  HG2 ))   (( resid 64   and name  HA  )) 2.777 0.977 0.977 peak 11321 weight  1.00000E+00 volume  1.54439E+06 ppm1      2.483 ppm2      3.998

ASSI {645}   (( resid 64   and name  HG1 ))   (( resid 64   and name  HA  )) 2.838 1.038 1.038 peak 11323 weight  1.00000E+00 volume  1.31760E+06 ppm1      2.312 ppm2      3.995

ASSI {646}   (( resid 64   and name  HB2 ))   (( resid 64   and name  HA  )) 2.771 0.971 0.971 peak 13459 weight  1.00000E+00 volume  1.64439E+06 ppm1      2.112 ppm2      4.016

ASSI {647}   (( resid 64   and name  HB1 ))   (( resid 64   and name  HA  )) 2.804 1.005 1.005 peak 13460 weight  1.00000E+00 volume  1.48165E+06 ppm1      2.017 ppm2      4.025

ASSI {648}   (( resid 64   and name  HA  ))   (  resid 67   and name  HE# ) 3.794 1.994 1.994 peak 20492 weight  1.00000E+00 volume  2.34759E+05 ppm1      4.012 ppm2      6.843

ASSI {649}   (( resid 65   and name  HA1 ))   (( resid 66   and name  HN  )) 2.822 1.022 1.022 peak 19489 weight  1.00000E+00 volume  1.34430E+06 ppm1      4.260 ppm2      8.327

ASSI {650}   (( resid 65   and name  HA1 ))   (( resid 65   and name  HN  )) 3.338 1.538 1.538 peak 19491 weight  1.00000E+00 volume  3.18042E+05 ppm1      4.256 ppm2      8.654

ASSI {651}   (  resid 66   and name  HB# )   (( resid 66   and name  HA  )) 2.923 1.123 1.123 peak 13059 weight  1.00000E+00 volume  9.76265E+05 ppm1      2.002 ppm2      4.831

ASSI {652}   (( resid 67   and name  HA  ))   (  resid 66   and name  HB# ) 3.663 1.863 1.863 peak 13061 weight  1.00000E+00 volume  1.54837E+05 ppm1      1.986 ppm2      5.169

ASSI {653}   (  resid 66   and name  HB# )   (( resid 66   and name  HN  )) 3.18 1.38 1.38 peak 13067 weight  1.00000E+00 volume  4.72422E+05 ppm1      1.997 ppm2      8.335

ASSI {654}   (( resid 67   and name  HN  ))   (  resid 66   and name  HB# ) 3.439 1.639 1.639 peak 13068 weight  1.00000E+00 volume  2.38957E+05 ppm1      1.994 ppm2      9.261

ASSI {655}   (( resid 66   and name  HA  ))   (( resid 66   and name  HG1 )) 2.835 1.034 1.034 peak 14620 weight  1.00000E+00 volume  1.36422E+06 ppm1      1.895 ppm2      4.824

ASSI {656}   (( resid 67   and name  HA  ))   (( resid 66   and name  HG1 )) 3.665 1.965 2.835 peak 14623 weight  1.00000E+00 volume  1.53393E+05 ppm1      1.907 ppm2      5.165 !1

ASSI {657}   (( resid 67   and name  HA  ))   (( resid 66   and name  HG2 )) 3.762 2.062 2.862 peak 14624 weight  1.00000E+00 volume  1.31336E+05 ppm1      2.278 ppm2      5.158 !1

ASSI {658}   (( resid 66   and name  HA  ))   (( resid 67   and name  HB2 )) 3.204 1.404 1.404 peak 16896 weight  1.00000E+00 volume  4.53177E+05 ppm1      3.213 ppm2      4.815

ASSI {659}   (( resid 66   and name  HA  ))   (  resid 72   and name  HD# ) 3.514 1.814 4.944 peak 18722 weight  1.00000E+00 volume  2.03733E+05 ppm1      4.826 ppm2      3.425 !2

ASSI {660}   (( resid 73   and name  HB1 ))   (( resid 66   and name  HA  )) 3.777 2.077 5.998 peak 21487 weight  1.00000E+00 volume  1.21170E+05 ppm1      2.567 ppm2      4.814 !3

ASSI {661}   (( resid 66   and name  HN  ))   (( resid 66   and name  HG2 )) 3.094 1.294 1.294 peak 22193 weight  1.00000E+00 volume  6.31160E+05 ppm1      2.271 ppm2      8.329

ASSI {662}   (( resid 66   and name  HA  ))   (( resid 68   and name  HD1 )) 3.678 1.877 1.877 peak 22944 weight  1.00000E+00 volume  1.50210E+05 ppm1      3.817 ppm2      4.814

ASSI {663}   (( resid 72   and name  HA  ))   (( resid 67   and name  HB2 )) 2.969 1.269 4.449 peak 10686 weight  1.00000E+00 volume  9.17238E+05 ppm1      4.381 ppm2      3.234 !2

ASSI {664}   (( resid 72   and name  HA  ))   (  resid 67   and name  HE# ) 3.502 1.802 2.222 peak 10711 weight  1.00000E+00 volume  4.40775E+05 ppm1      4.377 ppm2      6.852 !1

ASSI {665}   (( resid 67   and name  HA  ))   (( resid 69   and name  HB2 )) 3.437 1.737 2.867 peak 11124 weight  1.00000E+00 volume  2.63773E+05 ppm1      2.181 ppm2      5.171 !1

ASSI {666}   (( resid 67   and name  HA  ))   (( resid 69   and name  HB1 )) 3.482 1.782 4.033 peak 11125 weight  1.00000E+00 volume  2.33254E+05 ppm1      1.769 ppm2      5.173 !2

ASSI {667}   (( resid 67   and name  HA  ))   (( resid 68   and name  HG1 )) 3.319 1.519 1.519 peak 11886 weight  1.00000E+00 volume  3.39045E+05 ppm1      1.934 ppm2      5.150

ASSI {668}   (( resid 67   and name  HA  ))   (( resid 68   and name  HG2 )) 3.21 1.409 1.409 peak 11887 weight  1.00000E+00 volume  4.89990E+05 ppm1      2.184 ppm2      5.147

ASSI {669}   (( resid 67   and name  HA  ))   (( resid 68   and name  HD2 )) 2.75 0.95 0.95 peak 13880 weight  1.00000E+00 volume  1.74499E+06 ppm1      5.158 ppm2      3.923

ASSI {670}   (( resid 67   and name  HA  ))   (( resid 67   and name  HB2 )) 2.995 1.195 1.195 peak 13884 weight  1.00000E+00 volume  8.33110E+05 ppm1      5.158 ppm2      3.228

ASSI {671}   (( resid 67   and name  HA  ))   (( resid 68   and name  HB2 )) 3.152 1.452 2.743 peak 13888 weight  1.00000E+00 volume  5.15482E+05 ppm1      5.159 ppm2      2.116 !2

ASSI {672}   (( resid 67   and name  HA  ))   (  resid 67   and name  HE# ) 3.324 1.524 1.524 peak 13898 weight  1.00000E+00 volume  6.69069E+05 ppm1      5.157 ppm2      6.844

ASSI {673}   (( resid 67   and name  HA  ))   (( resid 72   and name  HB2 )) 3.619 1.819 1.819 peak 14258 weight  1.00000E+00 volume  1.79457E+05 ppm1      2.444 ppm2      5.148

ASSI {674}   (( resid 67   and name  HA  ))   (( resid 72   and name  HB1 )) 3.5 1.7 1.7 peak 14259 weight  1.00000E+00 volume  2.37669E+05 ppm1      2.571 ppm2      5.158

ASSI {675}   (( resid 67   and name  HA  ))   (( resid 68   and name  HB1 )) 3.553 1.853 2.303 peak 15029 weight  1.00000E+00 volume  1.97264E+05 ppm1      2.094 ppm2      5.150 !1

ASSI {676}   (( resid 67   and name  HA  ))   (  resid 72   and name  HG# ) 3.14 1.34 1.34 peak 16759 weight  1.00000E+00 volume  5.50059E+05 ppm1      1.886 ppm2      5.152

ASSI {677}   (( resid 67   and name  HA  ))   (( resid 67   and name  HB1 )) 3.319 1.519 1.519 peak 16899 weight  1.00000E+00 volume  3.46955E+05 ppm1      3.811 ppm2      5.146

ASSI {678}   (( resid 67   and name  HA  ))   (( resid 68   and name  HD1 )) 2.833 1.033 1.033 peak 16934 weight  1.00000E+00 volume  1.37080E+06 ppm1      3.823 ppm2      5.151

ASSI {679}   (( resid 67   and name  HA  ))   (  resid 72   and name  HD# ) 3.051 1.251 1.251 peak 17034 weight  1.00000E+00 volume  7.09636E+05 ppm1      3.416 ppm2      5.166

ASSI {680}   (( resid 70   and name  HA  ))   (  resid 67   and name  HD# ) 4.059 2.259 2.259 peak 17923 weight  1.00000E+00 volume  1.44228E+05 ppm1      1.180 ppm2      7.051

ASSI {681}   (( resid 67   and name  HA  ))   (( resid 69   and name  HG1 )) 3.44 1.74 2.84 peak 17987 weight  1.00000E+00 volume  2.57803E+05 ppm1      2.060 ppm2      5.156 !1

ASSI {682}   (( resid 67   and name  HA  ))   (( resid 72   and name  HA  )) 3.592 1.892 2.322 peak 21073 weight  1.00000E+00 volume  1.79310E+05 ppm1      4.383 ppm2      5.141 !1

ASSI {683}   (( resid 67   and name  HB1 ))   (( resid 73   and name  HA  )) 3.816 2.015 2.015 peak 22935 weight  1.00000E+00 volume  1.14299E+05 ppm1      3.820 ppm2      5.330

ASSI {684}   (( resid 72   and name  HA  ))   (( resid 68   and name  HD2 )) 3.054 1.354 3.144 peak 10683 weight  1.00000E+00 volume  6.81448E+05 ppm1      4.380 ppm2      3.920 !2

ASSI {685}   (( resid 68   and name  HA  ))   (( resid 68   and name  HG2 )) 3.124 1.324 1.324 peak 11881 weight  1.00000E+00 volume  5.65110E+05 ppm1      2.184 ppm2      3.680

ASSI {686}   (( resid 68   and name  HB1 ))   (( resid 68   and name  HA  )) 2.87 1.071 1.071 peak 15015 weight  1.00000E+00 volume  1.15234E+06 ppm1      2.097 ppm2      3.688

ASSI {687}   (( resid 68   and name  HA  ))   (( resid 68   and name  HD2 )) 3.14 1.34 1.34 peak 19433 weight  1.00000E+00 volume  5.56840E+05 ppm1      3.690 ppm2      3.929

ASSI {688}   (( resid 68   and name  HB2 ))   (( resid 69   and name  HA  )) 2.835 1.135 1.954 peak 19974 weight  1.00000E+00 volume  1.27032E+06 ppm1      5.377 ppm2      2.130 !1

ASSI {689}   (( resid 68   and name  HB2 ))   (( resid 68   and name  HA  )) 2.62 0.82 0.82 peak 23776 weight  1.00000E+00 volume  2.75120E+06 ppm1      3.690 ppm2      2.114

ASSI {690}   (( resid 69   and name  HB2 ))   (( resid 69   and name  HA  )) 2.726 0.926 0.926 peak 11122 weight  1.00000E+00 volume  1.96282E+06 ppm1      2.181 ppm2      5.367

ASSI {691}   (( resid 69   and name  HB2 ))   (( resid 69   and name  HN  )) 3.354 1.554 1.554 peak 11127 weight  1.00000E+00 volume  2.93638E+05 ppm1      2.186 ppm2      6.901

ASSI {692}   (( resid 72   and name  HN  ))   (( resid 69   and name  HB1 )) 3.27 1.47 1.47 peak 11129 weight  1.00000E+00 volume  3.69743E+05 ppm1      1.770 ppm2      8.042

ASSI {693}   (( resid 69   and name  HB2 ))   (( resid 70   and name  HN  )) 3.135 1.335 1.335 peak 11130 weight  1.00000E+00 volume  5.46396E+05 ppm1      2.181 ppm2      8.413

ASSI {694}   (( resid 69   and name  HB2 ))   (( resid 71   and name  HN  )) 3.132 1.332 1.332 peak 11131 weight  1.00000E+00 volume  5.52360E+05 ppm1      2.184 ppm2      8.524

ASSI {695}   (( resid 69   and name  HB1 ))   (( resid 70   and name  HN  )) 3.042 1.241 1.241 peak 11133 weight  1.00000E+00 volume  7.02895E+05 ppm1      1.772 ppm2      8.412

ASSI {696}   (( resid 69   and name  HN  ))   (( resid 70   and name  HB2 )) 3.605 1.905 3.465 peak 11793 weight  1.00000E+00 volume  1.72903E+05 ppm1      2.204 ppm2      6.921 !2

ASSI {697}   (  resid 72   and name  HG# )   (( resid 69   and name  HA  )) 3.703 2.003 3.003 peak 16760 weight  1.00000E+00 volume  1.45650E+05 ppm1      1.883 ppm2      5.356 !2

ASSI {698}   (  resid 72   and name  HD# )   (( resid 69   and name  HN  )) 2.871 1.171 1.591 peak 17037 weight  1.00000E+00 volume  1.18384E+06 ppm1      3.427 ppm2      6.901 !1

ASSI {699}   (( resid 69   and name  HN  ))   (( resid 71   and name  HG1 )) 3.327 1.627 4.076 peak 17692 weight  1.00000E+00 volume  3.26693E+05 ppm1      2.442 ppm2      6.913 !3

ASSI {700}   (( resid 69   and name  HG1 ))   (( resid 69   and name  HA  )) 3.04 1.24 1.24 peak 17989 weight  1.00000E+00 volume  7.53274E+05 ppm1      2.070 ppm2      5.369

ASSI {701}   (( resid 69   and name  HG2 ))   (( resid 69   and name  HA  )) 2.957 1.157 1.157 peak 19975 weight  1.00000E+00 volume  9.02159E+05 ppm1      5.380 ppm2      1.954

ASSI {702}   (( resid 69   and name  HN  ))   (( resid 69   and name  HA  )) 3.248 1.448 1.448 peak 19980 weight  1.00000E+00 volume  3.86668E+05 ppm1      5.374 ppm2      6.912

ASSI {703}   (( resid 69   and name  HB1 ))   (( resid 69   and name  HA  )) 2.773 0.973 0.973 peak 21184 weight  1.00000E+00 volume  1.65368E+06 ppm1      1.766 ppm2      5.367

ASSI {704}   (( resid 69   and name  HB1 ))   (( resid 69   and name  HN  )) 3.306 1.506 1.506 peak 21185 weight  1.00000E+00 volume  3.45865E+05 ppm1      1.770 ppm2      6.907

ASSI {705}   (( resid 73   and name  HZ2 ))   (( resid 70   and name  HB1 )) 3.424 1.624 1.624 peak 11795 weight  1.00000E+00 volume  2.58015E+05 ppm1      2.295 ppm2      7.283
OR {705}   (( resid 73   and name  HN  ))   (( resid 70   and name  HB1 ))

ASSI {706}   (( resid 77   and name  HA  ))   (  resid 70   and name  HD# ) 3.905 2.106 2.106 peak 13492 weight  1.00000E+00 volume  1.75405E+05 ppm1      3.602 ppm2      6.588

ASSI {707}   (( resid 78   and name  HA  ))   (( resid 70   and name  HB2 )) 3.271 1.47 1.47 peak 15451 weight  1.00000E+00 volume  3.72407E+05 ppm1      4.617 ppm2      2.211

ASSI {708}   (  resid 70   and name  HD# )   (( resid 71   and name  HA  )) 3.49 1.69 1.69 peak 15755 weight  1.00000E+00 volume  4.58806E+05 ppm1      3.815 ppm2      6.587

ASSI {709}   (( resid 71   and name  HA  ))   (  resid 70   and name  HE# ) 3.506 1.706 1.706 peak 15756 weight  1.00000E+00 volume  4.42271E+05 ppm1      3.817 ppm2      6.534

ASSI {710}   (( resid 70   and name  HA  ))   (( resid 70   and name  HB1 )) 2.83 1.03 1.03 peak 17909 weight  1.00000E+00 volume  1.35183E+06 ppm1      1.183 ppm2      2.297

ASSI {711}   (( resid 70   and name  HA  ))   (( resid 72   and name  HA  )) 3.972 2.172 2.172 peak 17917 weight  1.00000E+00 volume  7.76126E+04 ppm1      1.191 ppm2      4.379

ASSI {712}   (( resid 70   and name  HA  ))   (  resid 70   and name  HD# ) 3.283 1.483 1.483 peak 17921 weight  1.00000E+00 volume  7.64225E+05 ppm1      1.183 ppm2      6.592

ASSI {713}   (( resid 70   and name  HA  ))   (( resid 73   and name  HN  )) 3.089 1.289 1.289 peak 17924 weight  1.00000E+00 volume  6.37039E+05 ppm1      1.178 ppm2      7.258

ASSI {714}   (( resid 72   and name  HN  ))   (( resid 70   and name  HA  )) 3.66 1.86 1.86 peak 17926 weight  1.00000E+00 volume  1.57159E+05 ppm1      1.184 ppm2      8.035

ASSI {715}   (( resid 76   and name  HA  ))   (  resid 70   and name  HE# ) 3.48 1.78 3.94 peak 20615 weight  1.00000E+00 volume  4.49730E+05 ppm1      4.321 ppm2      6.519 !3

ASSI {716}   (( resid 71   and name  HB2 ))   (( resid 72   and name  HA  )) 2.724 1.024 1.594 peak 10700 weight  1.00000E+00 volume  1.81870E+06 ppm1      4.384 ppm2      1.740 !1

ASSI {717}   (( resid 74   and name  HA  ))   (( resid 71   and name  HA  )) 3.187 1.487 1.897 peak 15744 weight  1.00000E+00 volume  4.34619E+05 ppm1      3.818 ppm2      4.000 !1

ASSI {718}   (  resid 72   and name  HD# )   (( resid 71   and name  HA  )) 3.6 1.9 3.34 peak 15745 weight  1.00000E+00 volume  1.78109E+05 ppm1      3.822 ppm2      3.430 !2

ASSI {719}   (( resid 74   and name  HB2 ))   (( resid 71   and name  HA  )) 3.595 1.895 3.305 peak 15747 weight  1.00000E+00 volume  1.88581E+05 ppm1      3.811 ppm2      2.816 !2

ASSI {720}   (( resid 71   and name  HB2 ))   (( resid 71   and name  HA  )) 2.821 1.021 1.021 peak 15753 weight  1.00000E+00 volume  1.39081E+06 ppm1      3.813 ppm2      1.732

ASSI {721}   (  resid 76   and name  HD1#)   (( resid 71   and name  HA  )) 4.277 2.577 3.877 peak 15754 weight  1.00000E+00 volume  1.39898E+05 ppm1      3.817 ppm2      0.738 !2

ASSI {722}   (( resid 71   and name  HA  ))   (( resid 74   and name  HN  )) 3.396 1.596 1.596 peak 15759 weight  1.00000E+00 volume  2.73046E+05 ppm1      3.819 ppm2      7.654

ASSI {723}   (( resid 72   and name  HN  ))   (( resid 71   and name  HA  )) 3.772 1.972 1.972 peak 15760 weight  1.00000E+00 volume  1.16796E+05 ppm1      3.813 ppm2      8.027

ASSI {724}   (( resid 71   and name  HA  ))   (( resid 71   and name  HN  )) 3.286 1.486 1.486 peak 15761 weight  1.00000E+00 volume  3.72321E+05 ppm1      3.812 ppm2      8.517

ASSI {725}   (( resid 71   and name  HG1 ))   (( resid 74   and name  HN  )) 3.402 1.702 3.982 peak 17695 weight  1.00000E+00 volume  2.70032E+05 ppm1      2.456 ppm2      7.668 !3

ASSI {726}   (( resid 72   and name  HN  ))   (( resid 71   and name  HG1 )) 3.542 1.742 1.742 peak 17696 weight  1.00000E+00 volume  1.88720E+05 ppm1      2.452 ppm2      8.024

ASSI {727}   (( resid 72   and name  HN  ))   (( resid 71   and name  HG2 )) 3.425 1.625 1.625 peak 17697 weight  1.00000E+00 volume  2.59626E+05 ppm1      2.085 ppm2      8.054

ASSI {728}   (( resid 71   and name  HG1 ))   (( resid 71   and name  HN  )) 3.174 1.374 1.374 peak 17698 weight  1.00000E+00 volume  4.50304E+05 ppm1      2.446 ppm2      8.521

ASSI {729}   (( resid 71   and name  HG2 ))   (( resid 71   and name  HN  )) 3.188 1.388 1.388 peak 17699 weight  1.00000E+00 volume  4.48488E+05 ppm1      2.096 ppm2      8.510

ASSI {730}   (( resid 71   and name  HB1 ))   (( resid 75   and name  HN  )) 3.54 1.74 1.74 peak 19072 weight  1.00000E+00 volume  1.90265E+05 ppm1      1.831 ppm2      7.550

ASSI {731}   (( resid 71   and name  HB1 ))   (( resid 72   and name  HN  )) 3.486 1.686 1.686 peak 19073 weight  1.00000E+00 volume  2.22326E+05 ppm1      1.834 ppm2      8.031

ASSI {732}   (( resid 71   and name  HB2 ))   (( resid 72   and name  HN  )) 3.393 1.593 1.593 peak 19074 weight  1.00000E+00 volume  2.79445E+05 ppm1      1.735 ppm2      8.033

ASSI {733}   (( resid 71   and name  HB1 ))   (( resid 71   and name  HN  )) 3.024 1.224 1.224 peak 19075 weight  1.00000E+00 volume  7.32760E+05 ppm1      1.830 ppm2      8.525

ASSI {734}   (( resid 71   and name  HB2 ))   (( resid 71   and name  HN  )) 3.045 1.245 1.245 peak 19076 weight  1.00000E+00 volume  6.58047E+05 ppm1      1.739 ppm2      8.519

ASSI {735}   (( resid 71   and name  HA  ))   (( resid 74   and name  HG2 )) 3.495 1.795 3.965 peak 22595 weight  1.00000E+00 volume  2.42264E+05 ppm1      3.813 ppm2      2.627 !3

ASSI {736}   (( resid 74   and name  HA  ))   (( resid 71   and name  HG1 )) 3.292 1.592 5.462 peak 23231 weight  1.00000E+00 volume  3.44537E+05 ppm1      2.457 ppm2      4.026 !3

ASSI {737}   (( resid 72   and name  HA  ))   (  resid 72   and name  HG# ) 2.566 0.7655 0.7655 peak 10699 weight  1.00000E+00 volume  3.20525E+06 ppm1      4.384 ppm2      1.894

ASSI {738}   (( resid 72   and name  HA  ))   (( resid 74   and name  HN  )) 3.051 1.252 1.252 peak 10715 weight  1.00000E+00 volume  6.60499E+05 ppm1      4.382 ppm2      7.653

ASSI {739}   (( resid 72   and name  HN  ))   (( resid 73   and name  HB2 )) 4.123 2.323 2.323 peak 12377 weight  1.00000E+00 volume  6.03139E+04 ppm1      3.460 ppm2      8.046

ASSI {740}   (( resid 72   and name  HB1 ))   (( resid 74   and name  HA  )) 3.603 1.903 4.302 peak 14248 weight  1.00000E+00 volume  1.74911E+05 ppm1      2.568 ppm2      3.991 !3

ASSI {741}   (( resid 72   and name  HB2 ))   (( resid 74   and name  HA  )) 3.707 2.007 3.907 peak 14249 weight  1.00000E+00 volume  1.27699E+05 ppm1      2.447 ppm2      3.997 !2

ASSI {742}   (( resid 72   and name  HA  ))   (( resid 72   and name  HB1 )) 2.946 1.146 1.146 peak 14250 weight  1.00000E+00 volume  1.00085E+06 ppm1      2.568 ppm2      4.373

ASSI {743}   (( resid 72   and name  HA  ))   (( resid 72   and name  HB2 )) 3.069 1.269 1.269 peak 14251 weight  1.00000E+00 volume  6.96148E+05 ppm1      2.442 ppm2      4.372

ASSI {744}   (( resid 73   and name  HN  ))   (( resid 72   and name  HB1 )) 3.579 1.779 1.779 peak 14269 weight  1.00000E+00 volume  1.96462E+05 ppm1      2.572 ppm2      7.285

ASSI {745}   (( resid 72   and name  HN  ))   (( resid 72   and name  HB1 )) 3.476 1.676 1.676 peak 14272 weight  1.00000E+00 volume  2.31963E+05 ppm1      2.571 ppm2      8.043

ASSI {746}   (( resid 72   and name  HN  ))   (( resid 72   and name  HB2 )) 3.471 1.671 1.671 peak 14273 weight  1.00000E+00 volume  2.35748E+05 ppm1      2.441 ppm2      8.039

ASSI {747}   (( resid 72   and name  HN  ))   (  resid 72   and name  HG# ) 3.194 1.394 1.394 peak 16765 weight  1.00000E+00 volume  4.59463E+05 ppm1      1.891 ppm2      8.044

ASSI {748}   (( resid 72   and name  HA  ))   (  resid 72   and name  HD# ) 2.438 0.738 1.248 peak 17031 weight  1.00000E+00 volume  5.53946E+06 ppm1      3.419 ppm2      4.373 !1

ASSI {749}   (  resid 72   and name  HG# )   (( resid 73   and name  HA  )) 3.405 1.705 2.706 peak 20034 weight  1.00000E+00 volume  2.67407E+05 ppm1      5.313 ppm2      1.881 !1

ASSI {750}   (( resid 72   and name  HB2 ))   (( resid 73   and name  HA  )) 3.894 2.094 2.094 peak 22065 weight  1.00000E+00 volume  9.71335E+04 ppm1      2.446 ppm2      5.326

ASSI {751}   (( resid 72   and name  HB1 ))   (( resid 73   and name  HA  )) 2.643 0.943 3.264 peak 23984 weight  1.00000E+00 volume  2.44089E+06 ppm1      5.320 ppm2      2.587 !2

ASSI {752}   (( resid 75   and name  HA1 ))   (( resid 73   and name  HZ2 )) 3.514 1.714 1.714 peak 13404 weight  1.00000E+00 volume  2.08037E+05 ppm1      2.864 ppm2      7.281
OR {752}   (( resid 75   and name  HA1 ))   (( resid 73   and name  HN  ))

ASSI {753}   (( resid 73   and name  HB2 ))   (( resid 73   and name  HA  )) 2.689 0.889 0.889 peak 20025 weight  1.00000E+00 volume  2.13478E+06 ppm1      5.316 ppm2      3.455

ASSI {754}   (( resid 74   and name  HB1 ))   (( resid 73   and name  HA  )) 3.183 1.483 2.922 peak 20032 weight  1.00000E+00 volume  4.68271E+05 ppm1      5.315 ppm2      2.380 !2

ASSI {755}   (( resid 73   and name  HN  ))   (( resid 73   and name  HA  )) 3.096 1.296 1.296 peak 20045 weight  1.00000E+00 volume  5.91698E+05 ppm1      5.317 ppm2      7.262

ASSI {756}   (( resid 74   and name  HB2 ))   (( resid 74   and name  HA  )) 2.834 1.034 1.034 peak 12210 weight  1.00000E+00 volume  1.36046E+06 ppm1      4.014 ppm2      2.812

ASSI {757}   (( resid 74   and name  HA  ))   (( resid 74   and name  HG2 )) 2.856 1.056 1.056 peak 12211 weight  1.00000E+00 volume  1.26258E+06 ppm1      4.019 ppm2      2.610

ASSI {758}   (( resid 74   and name  HB1 ))   (( resid 74   and name  HA  )) 2.869 1.069 1.069 peak 12213 weight  1.00000E+00 volume  1.22058E+06 ppm1      4.015 ppm2      2.372

ASSI {759}   (( resid 74   and name  HA  ))   (( resid 74   and name  HG1 )) 2.982 1.183 1.183 peak 14860 weight  1.00000E+00 volume  9.04983E+05 ppm1      2.873 ppm2      4.010

ASSI {760}   (( resid 74   and name  HG2 ))   (( resid 75   and name  HN  )) 3.393 1.592 1.592 peak 14864 weight  1.00000E+00 volume  2.90757E+05 ppm1      2.618 ppm2      7.564

ASSI {761}   (( resid 75   and name  HA2 ))   (( resid 76   and name  HA  )) 3.703 1.903 1.903 peak 13396 weight  1.00000E+00 volume  1.25057E+05 ppm1      3.673 ppm2      4.311

ASSI {762}   (( resid 76   and name  HG  ))   (( resid 77   and name  HA  )) 3.121 1.421 3.491 peak 13484 weight  1.00000E+00 volume  5.36349E+05 ppm1      3.595 ppm2      1.638 !2

ASSI {763}   (( resid 77   and name  HA  ))   (( resid 76   and name  HB2 )) 2.981 1.281 2.371 peak 13485 weight  1.00000E+00 volume  7.53255E+05 ppm1      3.600 ppm2      1.458 !1

ASSI {764}   (( resid 76   and name  HA  ))   (( resid 77   and name  HA  )) 3.514 1.714 1.714 peak 20603 weight  1.00000E+00 volume  2.10098E+05 ppm1      4.312 ppm2      3.605

ASSI {765}   (( resid 76   and name  HA  ))   (( resid 77   and name  HB1 )) 3.591 1.791 1.791 peak 20604 weight  1.00000E+00 volume  1.91245E+05 ppm1      4.319 ppm2      3.276

ASSI {766}   (( resid 76   and name  HG  ))   (( resid 76   and name  HA  )) 2.784 0.984 0.984 peak 20608 weight  1.00000E+00 volume  1.59440E+06 ppm1      4.316 ppm2      1.642

ASSI {767}   (( resid 76   and name  HA  ))   (( resid 76   and name  HB2 )) 2.659 0.859 0.859 peak 20609 weight  1.00000E+00 volume  2.43267E+06 ppm1      4.314 ppm2      1.457

ASSI {768}   (( resid 76   and name  HA  ))   (( resid 76   and name  HB1 )) 2.74 0.9395 0.9395 peak 20610 weight  1.00000E+00 volume  1.86935E+06 ppm1      4.315 ppm2      1.277

ASSI {769}   (( resid 76   and name  HA  ))   (  resid 76   and name  HD1#) 2.853 1.153 1.583 peak 20611 weight  1.00000E+00 volume  3.90909E+06 ppm1      4.313 ppm2      0.746 !1

ASSI {770}   (( resid 77   and name  HB1 ))   (( resid 77   and name  HA  )) 2.739 0.939 0.939 peak 13477 weight  1.00000E+00 volume  1.72273E+06 ppm1      3.600 ppm2      3.273

ASSI {771}   (( resid 77   and name  HA  ))   (( resid 78   and name  HN  )) 3.112 1.312 1.312 peak 13494 weight  1.00000E+00 volume  5.63477E+05 ppm1      3.596 ppm2      7.717

ASSI {772}   (( resid 77   and name  HB2 ))   (( resid 77   and name  HA  )) 2.966 1.167 1.167 peak 15323 weight  1.00000E+00 volume  8.98734E+05 ppm1      2.859 ppm2      3.603

ASSI {773}   (( resid 77   and name  HB1 ))   (( resid 78   and name  HA  )) 3.827 2.127 2.847 peak 15326 weight  1.00000E+00 volume  1.10777E+05 ppm1      3.282 ppm2      4.621 !1

ASSI {774}   (( resid 77   and name  HB2 ))   (( resid 78   and name  HA  )) 3.91 2.21 2.87 peak 15327 weight  1.00000E+00 volume  8.76589E+04 ppm1      2.877 ppm2      4.619 !1

ASSI {775}   (( resid 77   and name  HB1 ))   (( resid 78   and name  HN  )) 3.072 1.272 1.272 peak 15330 weight  1.00000E+00 volume  6.38834E+05 ppm1      3.271 ppm2      7.712

ASSI {776}   (( resid 78   and name  HB1 ))   (( resid 77   and name  HA  )) 3.987 2.187 2.187 peak 20263 weight  1.00000E+00 volume  8.23295E+04 ppm1      2.581 ppm2      3.618

ASSI {777}   (( resid 77   and name  HA  ))   (( resid 78   and name  HA  )) 2.958 1.258 1.959 peak 21856 weight  1.00000E+00 volume  9.01937E+05 ppm1      3.600 ppm2      4.638 !1

ASSI {778}   (( resid 78   and name  HB2 ))   (( resid 78   and name  HA  )) 2.76 0.9605 0.9605 peak 15445 weight  1.00000E+00 volume  1.68823E+06 ppm1      4.620 ppm2      3.124

ASSI {779}   (( resid 80   and name  HB1 ))   (( resid 78   and name  HA  )) 3.195 1.495 3.625 peak 15453 weight  1.00000E+00 volume  4.42786E+05 ppm1      4.622 ppm2      1.577 !2

ASSI {780}   (( resid 78   and name  HB1 ))   (( resid 78   and name  HA  )) 2.872 1.072 1.072 peak 20265 weight  1.00000E+00 volume  1.20366E+06 ppm1      2.580 ppm2      4.626

ASSI {781}   (( resid 78   and name  HB2 ))   (( resid 78   and name  HN  )) 3.524 1.724 1.724 peak 20278 weight  1.00000E+00 volume  2.08586E+05 ppm1      3.137 ppm2      7.720

ASSI {782}   (( resid 78   and name  HB1 ))   (( resid 79   and name  HA  )) 3.318 1.618 2.488 peak 20830 weight  1.00000E+00 volume  3.25638E+05 ppm1      4.697 ppm2      2.580 !1

ASSI {783}   (( resid 79   and name  HB2 ))   (( resid 79   and name  HA  )) 2.955 1.155 1.155 peak 12914 weight  1.00000E+00 volume  9.19500E+05 ppm1      1.895 ppm2      4.693

ASSI {784}   (( resid 79   and name  HB2 ))   (( resid 80   and name  HA  )) 3.732 1.932 1.932 peak 12917 weight  1.00000E+00 volume  1.24987E+05 ppm1      1.893 ppm2      4.988

ASSI {785}   (( resid 80   and name  HB1 ))   (( resid 80   and name  HA  )) 3.439 1.639 1.639 peak 12705 weight  1.00000E+00 volume  2.60906E+05 ppm1      1.567 ppm2      4.982

ASSI {786}   (( resid 80   and name  HB1 ))   (( resid 80   and name  HN  )) 3.599 1.8 1.8 peak 12714 weight  1.00000E+00 volume  1.73496E+05 ppm1      1.565 ppm2      7.133

ASSI {787}   (( resid 81   and name  HA  ))   (( resid 80   and name  HA  )) 3.724 1.924 1.924 peak 16695 weight  1.00000E+00 volume  1.26622E+05 ppm1      3.368 ppm2      4.972

ASSI {788}   (( resid 81   and name  HB1 ))   (( resid 80   and name  HA  )) 3.564 1.764 1.764 peak 19165 weight  1.00000E+00 volume  1.95157E+05 ppm1      3.322 ppm2      4.978

ASSI {789}   (( resid 81   and name  HB2 ))   (( resid 80   and name  HA  )) 3.613 1.813 1.813 peak 19166 weight  1.00000E+00 volume  1.75408E+05 ppm1      2.978 ppm2      4.980

ASSI {790}   (( resid 81   and name  HB1 ))   (( resid 80   and name  HN  )) 4.026 2.226 2.226 peak 19170 weight  1.00000E+00 volume  6.96241E+04 ppm1      3.326 ppm2      7.146

ASSI {791}   (( resid 80   and name  HB1 ))   (( resid 83   and name  HA  )) 3.577 1.877 4.547 peak 19614 weight  1.00000E+00 volume  1.89203E+05 ppm1      6.444 ppm2      1.568 !2

ASSI {792}   (( resid 80   and name  HB2 ))   (( resid 80   and name  HA  )) 3.104 1.304 1.304 peak 20356 weight  1.00000E+00 volume  5.75106E+05 ppm1      4.972 ppm2      1.351

ASSI {793}   (  resid 80   and name  HD1#)   (( resid 80   and name  HA  )) 3.288 1.488 1.488 peak 20357 weight  1.00000E+00 volume  1.12367E+06 ppm1      4.981 ppm2      1.167

ASSI {794}   (( resid 80   and name  HG  ))   (( resid 80   and name  HA  )) 3.526 1.726 1.726 peak 23746 weight  1.00000E+00 volume  2.07877E+05 ppm1      1.798 ppm2      4.997

ASSI {795}   (( resid 81   and name  HB2 ))   (( resid 81   and name  HA  )) 3.006 1.207 1.207 peak 16692 weight  1.00000E+00 volume  8.15296E+05 ppm1      3.371 ppm2      2.979

ASSI {796}   (( resid 83   and name  HA  ))   (( resid 81   and name  HB2 )) 3.646 1.946 4.366 peak 19610 weight  1.00000E+00 volume  1.66107E+05 ppm1      6.437 ppm2      2.967 !1

ASSI {797}   (( resid 83   and name  HA  ))   (( resid 83   and name  HB2 )) 3.073 1.273 1.273 peak 19606 weight  1.00000E+00 volume  6.53721E+05 ppm1      6.447 ppm2      3.736

ASSI {798}   (( resid 83   and name  HA  ))   (( resid 83   and name  HB1 )) 3.104 1.304 1.304 peak 19607 weight  1.00000E+00 volume  6.03007E+05 ppm1      6.451 ppm2      3.600

ASSI {799}   (( resid 83   and name  HA  ))   (( resid 83   and name  HN  )) 3.926 2.126 2.126 peak 19625 weight  1.00000E+00 volume  8.33403E+04 ppm1      6.440 ppm2      9.728

ASSI {800}   (( resid 84   and name  HA  ))   (  resid 84   and name  HG# ) 3.104 1.304 1.304 peak 13999 weight  1.00000E+00 volume  5.71830E+05 ppm1      4.961 ppm2      1.331

ASSI {801}   (( resid 84   and name  HN  ))   (  resid 84   and name  HG# ) 3.675 1.875 1.875 peak 21669 weight  1.00000E+00 volume  1.38978E+05 ppm1      1.323 ppm2     10.093

ASSI {802}   (  resid 86   and name  HG2#)   (( resid 85   and name  HA  )) 3.567 1.767 1.767 peak 12598 weight  1.00000E+00 volume  5.83821E+05 ppm1      3.211 ppm2      0.635

ASSI {803}   (( resid 85   and name  HA  ))   (( resid 87   and name  HA  )) 3.448 1.748 3.398 peak 12603 weight  1.00000E+00 volume  2.49185E+05 ppm1      3.217 ppm2      4.657 !2

ASSI {804}   (( resid 85   and name  HA  ))   (  resid 85   and name  HB# ) 2.872 1.071 1.071 peak 16732 weight  1.00000E+00 volume  3.75184E+06 ppm1      0.141 ppm2      3.210

ASSI {805}   (( resid 85   and name  HA  ))   (( resid 86   and name  HB  )) 3.234 1.434 1.434 peak 18395 weight  1.00000E+00 volume  4.06547E+05 ppm1      1.558 ppm2      3.194

ASSI {806}   (  resid 85   and name  HB# )   (( resid 86   and name  HA  )) 3.518 1.718 1.718 peak 19412 weight  1.00000E+00 volume  6.83966E+05 ppm1      3.677 ppm2      0.144

ASSI {807}   (( resid 86   and name  HB  ))   (( resid 86   and name  HA  )) 2.955 1.155 1.155 peak 19407 weight  1.00000E+00 volume  9.55494E+05 ppm1      3.676 ppm2      1.556

ASSI {808}   (( resid 87   and name  HA  ))   (( resid 86   and name  HA  )) 3.385 1.585 1.585 peak 19413 weight  1.00000E+00 volume  3.10922E+05 ppm1      3.667 ppm2      4.653

ASSI {809}   (( resid 86   and name  HA  ))   (( resid 87   and name  HN  )) 2.709 0.9095 0.9095 peak 19417 weight  1.00000E+00 volume  1.97786E+06 ppm1      3.672 ppm2      8.661

ASSI {810}   (  resid 86   and name  HG2#)   (( resid 87   and name  HN  )) 3.492 1.692 1.692 peak 19796 weight  1.00000E+00 volume  6.64307E+05 ppm1      0.641 ppm2      8.658

ASSI {811}   (( resid 88   and name  HB1 ))   (( resid 87   and name  HA  )) 3.399 1.699 2.169 peak 10676 weight  1.00000E+00 volume  2.82577E+05 ppm1      1.603 ppm2      4.674 !1

ASSI {812}   (  resid 87   and name  HB# )   (( resid 89   and name  HA  )) 3.59 1.79 1.79 peak 20091 weight  1.00000E+00 volume  1.77910E+05 ppm1      4.524 ppm2      3.095

ASSI {813}   (( resid 88   and name  HB2 ))   (( resid 90   and name  HA  )) 3.468 1.768 2.858 peak 10671 weight  1.00000E+00 volume  2.31467E+05 ppm1      1.480 ppm2      4.371 !1

ASSI {814}   (( resid 88   and name  HB2 ))   (( resid 89   and name  HA  )) 2.998 1.298 2.568 peak 10672 weight  1.00000E+00 volume  8.21252E+05 ppm1      1.469 ppm2      4.521 !2

ASSI {815}   (( resid 88   and name  HB1 ))   (( resid 88   and name  HA  )) 3.006 1.206 1.206 peak 10674 weight  1.00000E+00 volume  7.96450E+05 ppm1      1.604 ppm2      4.546

ASSI {816}   (( resid 88   and name  HA  ))   (( resid 89   and name  HB2 )) 3.631 1.931 2.241 peak 19590 weight  1.00000E+00 volume  1.64306E+05 ppm1      4.537 ppm2      2.247 !1

ASSI {817}   (( resid 88   and name  HB2 ))   (( resid 88   and name  HA  )) 2.908 1.108 1.108 peak 19594 weight  1.00000E+00 volume  1.03054E+06 ppm1      4.542 ppm2      1.473

ASSI {818}   (( resid 88   and name  HA  ))   (( resid 89   and name  HD2 )) 2.538 0.738 0.738 peak 19891 weight  1.00000E+00 volume  3.65584E+06 ppm1      3.673 ppm2      4.540

ASSI {819}   (( resid 88   and name  HB1 ))   (( resid 89   and name  HA  )) 3.196 1.496 2.586 peak 20097 weight  1.00000E+00 volume  4.86347E+05 ppm1      4.524 ppm2      1.619 !1

ASSI {820}   (( resid 89   and name  HG1 ))   (( resid 90   and name  HA  )) 3.162 1.462 3.381 peak 17424 weight  1.00000E+00 volume  5.12319E+05 ppm1      1.903 ppm2      4.357 !2

ASSI {821}   (( resid 89   and name  HG2 ))   (( resid 90   and name  HA  )) 3.412 1.611 1.611 peak 17425 weight  1.00000E+00 volume  2.68016E+05 ppm1      1.808 ppm2      4.352

ASSI {822}   (( resid 89   and name  HD2 ))   (( resid 89   and name  HA  )) 3.003 1.204 1.204 peak 20088 weight  1.00000E+00 volume  8.06416E+05 ppm1      4.523 ppm2      3.672

ASSI {823}   (( resid 89   and name  HD1 ))   (( resid 89   and name  HA  )) 3.034 1.234 1.234 peak 20089 weight  1.00000E+00 volume  7.36267E+05 ppm1      4.527 ppm2      3.610

ASSI {824}   (( resid 89   and name  HB2 ))   (( resid 89   and name  HA  )) 2.413 0.613 0.613 peak 20094 weight  1.00000E+00 volume  6.13879E+06 ppm1      4.522 ppm2      2.259

ASSI {825}   (( resid 89   and name  HB1 ))   (( resid 89   and name  HA  )) 2.522 0.7225 0.7225 peak 20095 weight  1.00000E+00 volume  3.99192E+06 ppm1      4.521 ppm2      2.012

ASSI {826}   (( resid 89   and name  HB2 ))   (( resid 90   and name  HA  )) 3.155 1.356 1.356 peak 22292 weight  1.00000E+00 volume  5.57083E+05 ppm1      2.266 ppm2      4.352

ASSI {827}   (  resid 90   and name  HB# )   (( resid 90   and name  HA  )) 2.317 0.517 0.517 peak 20248 weight  1.00000E+00 volume  9.23714E+06 ppm1      3.882 ppm2      4.368

ASSI {828}   (  resid 90   and name  HB# )   (( resid 91   and name  HN  )) 2.519 0.819 1.819 peak 20251 weight  1.00000E+00 volume  4.08886E+06 ppm1      3.881 ppm2      8.633 !1

ASSI {829}   (( resid 92   and name  HA1 ))   (( resid 91   and name  HN  )) 3.054 1.354 2.854 peak 16040 weight  1.00000E+00 volume  6.04309E+05 ppm1      3.886 ppm2      8.636 !2

ASSI {830}   (( resid 91   and name  HA2 ))   (( resid 91   and name  HN  )) 2.857 1.057 1.057 peak 19962 weight  1.00000E+00 volume  1.23830E+06 ppm1      4.159 ppm2      8.635

ASSI {831}   (( resid 93   and name  HA  ))   (( resid 92   and name  HA2 )) 3.292 1.492 1.492 peak 14868 weight  1.00000E+00 volume  3.52857E+05 ppm1      4.482 ppm2      3.939

ASSI {832}   (( resid 93   and name  HA  ))   (( resid 92   and name  HN  )) 3.658 1.858 1.858 peak 14889 weight  1.00000E+00 volume  1.55998E+05 ppm1      4.483 ppm2      8.081

ASSI {833}   (( resid 92   and name  HA2 ))   (( resid 93   and name  HN  )) 3.12 1.32 1.32 peak 16036 weight  1.00000E+00 volume  5.55212E+05 ppm1      3.946 ppm2      7.834

ASSI {834}   (( resid 92   and name  HA1 ))   (( resid 93   and name  HN  )) 3.236 1.436 1.436 peak 16037 weight  1.00000E+00 volume  3.96629E+05 ppm1      3.879 ppm2      7.828

ASSI {835}   (( resid 93   and name  HA  ))   (( resid 94   and name  HA  )) 2.132 0.432 2.842 peak 14867 weight  1.00000E+00 volume  2.08550E+07 ppm1      4.481 ppm2      4.477 !2

ASSI {836}   (( resid 94   and name  HB1 ))   (( resid 93   and name  HA  )) 3.174 1.474 3.464 peak 14874 weight  1.00000E+00 volume  5.06742E+05 ppm1      4.481 ppm2      2.762 !2

ASSI {837}   (( resid 93   and name  HA  ))   (( resid 93   and name  HG1 )) 2.658 0.958 1.328 peak 14877 weight  1.00000E+00 volume  2.40136E+06 ppm1      4.482 ppm2      2.280 !1

ASSI {838}   (( resid 93   and name  HA  ))   (( resid 93   and name  HB1 )) 2.579 0.779 0.779 peak 14879 weight  1.00000E+00 volume  3.22680E+06 ppm1      4.480 ppm2      1.958

ASSI {839}   (( resid 93   and name  HA  ))   (( resid 93   and name  HB2 )) 2.647 0.847 0.847 peak 14880 weight  1.00000E+00 volume  2.53860E+06 ppm1      4.479 ppm2      1.771

ASSI {840}   (  resid 94   and name  HD# )   (( resid 93   and name  HA  )) 3.278 1.578 3.288 peak 14886 weight  1.00000E+00 volume  8.03406E+05 ppm1      4.479 ppm2      6.633 !2

ASSI {841}   (  resid 94   and name  HE# )   (( resid 93   and name  HA  )) 3.488 1.788 4.338 peak 14887 weight  1.00000E+00 volume  4.83950E+05 ppm1      4.479 ppm2      6.829 !2

ASSI {842}   (( resid 93   and name  HA  ))   (( resid 93   and name  HN  )) 3.092 1.292 1.292 peak 14888 weight  1.00000E+00 volume  6.10105E+05 ppm1      4.478 ppm2      7.826

ASSI {843}   (( resid 93   and name  HA  ))   (( resid 94   and name  HN  )) 2.648 0.848 0.848 peak 14890 weight  1.00000E+00 volume  2.44678E+06 ppm1      4.477 ppm2      8.351

ASSI {844}   (( resid 93   and name  HG2 ))   (( resid 93   and name  HN  )) 2.941 1.14 1.14 peak 17298 weight  1.00000E+00 volume  9.59573E+05 ppm1      2.232 ppm2      7.834

ASSI {845}   (( resid 93   and name  HG1 ))   (( resid 94   and name  HN  )) 3.077 1.277 1.277 peak 17299 weight  1.00000E+00 volume  6.27106E+05 ppm1      2.282 ppm2      8.356

ASSI {846}   (( resid 93   and name  HG2 ))   (( resid 94   and name  HN  )) 3.359 1.659 2.189 peak 17300 weight  1.00000E+00 volume  2.95584E+05 ppm1      2.238 ppm2      8.361 !1

ASSI {847}   (( resid 95   and name  HA  ))   (( resid 93   and name  HE22)) 3.394 1.694 4.244 peak 17845 weight  1.00000E+00 volume  2.83683E+05 ppm1      5.012 ppm2      6.877 !2

ASSI {848}   (( resid 96   and name  HN  ))   (( resid 94   and name  HB1 )) 3.497 1.797 3.387 peak 17652 weight  1.00000E+00 volume  2.15061E+05 ppm1      2.768 ppm2      9.039 !1

ASSI {849}   (( resid 95   and name  HA  ))   (  resid 94   and name  HB# ) 3.304 1.504 1.504 peak 17833 weight  1.00000E+00 volume  3.40053E+05 ppm1      5.009 ppm2      2.743

ASSI {850}   (( resid 94   and name  HB2 ))   (( resid 94   and name  HA  )) 3.006 1.207 1.207 peak 20285 weight  1.00000E+00 volume  7.80438E+05 ppm1      4.495 ppm2      2.731

ASSI {851}   (( resid 95   and name  HB1 ))   (( resid 94   and name  HA  )) 2.965 1.265 1.765 peak 20290 weight  1.00000E+00 volume  9.20676E+05 ppm1      4.499 ppm2      1.574 !1

ASSI {852}   (( resid 95   and name  HA  ))   (( resid 94   and name  HA  )) 3.199 1.398 1.398 peak 20292 weight  1.00000E+00 volume  4.39427E+05 ppm1      4.498 ppm2      5.005

ASSI {853}   (( resid 95   and name  HN  ))   (( resid 94   and name  HA  )) 2.978 1.178 1.178 peak 20298 weight  1.00000E+00 volume  9.00352E+05 ppm1      4.500 ppm2      9.121

ASSI {854}   (( resid 95   and name  HB2 ))   (( resid 94   and name  HA  )) 2.932 1.232 2.092 peak 24084 weight  1.00000E+00 volume  8.99103E+05 ppm1      4.503 ppm2      2.081 !1

ASSI {855}   (( resid 94   and name  HA  ))   (( resid 94   and name  HN  )) 3.048 1.248 1.248 peak 24088 weight  1.00000E+00 volume  6.75399E+05 ppm1      4.503 ppm2      8.361

ASSI {856}   (( resid 95   and name  HA  ))   (( resid 95   and name  HD2 )) 3.327 1.526 1.526 peak 12543 weight  1.00000E+00 volume  3.29535E+05 ppm1      1.533 ppm2      4.994

ASSI {857}   (( resid 95   and name  HA  ))   (( resid 95   and name  HB2 )) 3.13 1.33 1.33 peak 15366 weight  1.00000E+00 volume  5.62662E+05 ppm1      2.078 ppm2      4.999

ASSI {858}   (( resid 95   and name  HA  ))   (( resid 95   and name  HB1 )) 3.067 1.267 1.267 peak 15368 weight  1.00000E+00 volume  6.54279E+05 ppm1      1.556 ppm2      5.001

ASSI {859}   (( resid 95   and name  HB2 ))   (( resid 96   and name  HN  )) 3.368 1.568 1.568 peak 15381 weight  1.00000E+00 volume  3.10648E+05 ppm1      2.076 ppm2      9.037

ASSI {860}   (( resid 95   and name  HN  ))   (( resid 95   and name  HB2 )) 3.382 1.582 1.582 peak 15382 weight  1.00000E+00 volume  3.07383E+05 ppm1      2.081 ppm2      9.113

ASSI {861}   (( resid 95   and name  HN  ))   (( resid 95   and name  HB1 )) 3.5 1.7 1.7 peak 15385 weight  1.00000E+00 volume  2.28016E+05 ppm1      1.557 ppm2      9.130

ASSI {862}   (( resid 95   and name  HA  ))   (( resid 95   and name  HE1 )) 3.2 1.4 1.4 peak 17059 weight  1.00000E+00 volume  4.81942E+05 ppm1      2.755 ppm2      4.992

ASSI {863}   (( resid 95   and name  HE1 ))   (( resid 97   and name  HA  )) 3.468 1.768 3.988 peak 17065 weight  1.00000E+00 volume  2.51257E+05 ppm1      2.765 ppm2      5.167 !2

ASSI {864}   (( resid 95   and name  HA  ))   (  resid 95   and name  HG# ) 2.941 1.14 1.14 peak 17839 weight  1.00000E+00 volume  9.64698E+05 ppm1      5.007 ppm2      1.264

ASSI {865}   (( resid 95   and name  HA  ))   (  resid 96   and name  HG2#) 3.437 1.637 1.637 peak 18118 weight  1.00000E+00 volume  7.97274E+05 ppm1     -0.440 ppm2      4.992

ASSI {866}   (( resid 95   and name  HA  ))   (( resid 95   and name  HD1 )) 3.702 1.901 1.901 peak 21545 weight  1.00000E+00 volume  1.47851E+05 ppm1      1.691 ppm2      5.005

ASSI {867}   (( resid 95   and name  HD2 ))   (( resid 96   and name  HN  )) 3.566 1.766 1.766 peak 21547 weight  1.00000E+00 volume  1.80858E+05 ppm1      1.533 ppm2      9.016

ASSI {868}   (( resid 97   and name  HA  ))   (  resid 96   and name  HG2#) 4.277 2.477 2.477 peak 11982 weight  1.00000E+00 volume  1.43658E+05 ppm1      5.146 ppm2     -0.422

ASSI {869}   (  resid 96   and name  HG2#)   (( resid 96   and name  HA  )) 3.492 1.692 1.692 peak 13568 weight  1.00000E+00 volume  6.79360E+05 ppm1      4.493 ppm2     -0.427

ASSI {870}   (( resid 97   and name  HA  ))   (( resid 97   and name  HG1 )) 3.045 1.244 1.244 peak 11973 weight  1.00000E+00 volume  7.21597E+05 ppm1      5.147 ppm2      2.197

ASSI {871}   (( resid 97   and name  HA  ))   (( resid 97   and name  HE21)) 3.824 2.024 2.024 peak 11986 weight  1.00000E+00 volume  1.08866E+05 ppm1      5.150 ppm2      7.902

ASSI {872}   (( resid 97   and name  HB2 ))   (( resid 97   and name  HA  )) 3.298 1.498 1.498 peak 15249 weight  1.00000E+00 volume  3.69038E+05 ppm1      2.010 ppm2      5.152

ASSI {873}   (( resid 99   and name  HA  ))   (( resid 97   and name  HA  )) 3.225 1.525 3.695 peak 20221 weight  1.00000E+00 volume  4.39462E+05 ppm1      5.484 ppm2      5.151 !1

ASSI {874}   (( resid 99   and name  HA  ))   (( resid 97   and name  HE21)) 3.419 1.719 4.379 peak 20236 weight  1.00000E+00 volume  2.60473E+05 ppm1      5.500 ppm2      7.884 !1

ASSI {875}   (( resid 97   and name  HA  ))   (( resid 98   and name  HB  )) 3.849 2.05 2.05 peak 20983 weight  1.00000E+00 volume  9.83607E+04 ppm1      1.695 ppm2      5.147

ASSI {876}   (( resid 97   and name  HB1 ))   (( resid 97   and name  HA  )) 3.2 1.401 1.401 peak 22447 weight  1.00000E+00 volume  4.53734E+05 ppm1      1.488 ppm2      5.152

ASSI {877}   (  resid 98   and name  HG2#)   (( resid 98   and name  HA  )) 3.97 2.169 2.169 peak 19366 weight  1.00000E+00 volume  2.93325E+05 ppm1      4.750 ppm2      0.424

ASSI {878}   (( resid 99   and name  HN  ))   (( resid 98   and name  HA  )) 3.506 1.707 1.707 peak 19367 weight  1.00000E+00 volume  2.13054E+05 ppm1      4.744 ppm2      8.097

ASSI {879}   (( resid 98   and name  HB  ))   (( resid 99   and name  HN  )) 3.37 1.57 1.57 peak 20990 weight  1.00000E+00 volume  2.90770E+05 ppm1      1.692 ppm2      8.074

ASSI {880}   (( resid 99   and name  HA  ))   (( resid 98   and name  HA  )) 3.439 1.639 1.639 peak 24065 weight  1.00000E+00 volume  2.44546E+05 ppm1      5.491 ppm2      4.760

ASSI {881}   (( resid 100  and name  HA  ))   (( resid 106  and name  HA2 )) 2.899 1.199 3.799 peak 11618 weight  1.00000E+00 volume  1.00898E+06 ppm1      4.358 ppm2      4.111 !2

ASSI {882}   (( resid 100  and name  HA  ))   (( resid 100  and name  HG1 )) 2.728 0.928 0.928 peak 11621 weight  1.00000E+00 volume  1.94126E+06 ppm1      4.358 ppm2      2.688

ASSI {883}   (( resid 100  and name  HA  ))   (( resid 100  and name  HB1 )) 2.704 0.904 0.904 peak 11623 weight  1.00000E+00 volume  1.99633E+06 ppm1      4.358 ppm2      2.309

ASSI {884}   (( resid 100  and name  HA  ))   (( resid 127  and name  HG11)) 3.66 1.96 3.8 peak 11630 weight  1.00000E+00 volume  1.49289E+05 ppm1      4.365 ppm2      0.843 !2

ASSI {885}   (( resid 100  and name  HA  ))   (  resid 127  and name  HD1#) 4.487 2.687 2.687 peak 11631 weight  1.00000E+00 volume  9.83446E+04 ppm1      4.356 ppm2      0.349

ASSI {886}   (( resid 100  and name  HA  ))   (( resid 99   and name  HA  )) 3.413 1.613 1.613 peak 11632 weight  1.00000E+00 volume  2.87835E+05 ppm1      4.361 ppm2      5.477

ASSI {887}   (( resid 100  and name  HA  ))   (( resid 129  and name  HN  )) 3.352 1.652 2.082 peak 11636 weight  1.00000E+00 volume  2.86287E+05 ppm1      4.364 ppm2      7.995 !1

ASSI {888}   (( resid 100  and name  HA  ))   (  resid 124  and name  HE# ) 2.673 0.873 0.873 peak 11705 weight  1.00000E+00 volume  7.43426E+06 ppm1      2.022 ppm2      4.347

ASSI {889}   (( resid 107  and name  HA  ))   (( resid 100  and name  HG2 )) 2.939 1.239 1.929 peak 14543 weight  1.00000E+00 volume  9.50192E+05 ppm1      3.867 ppm2      2.323 !1
OR {889}   (( resid 107  and name  HA  ))   (( resid 100  and name  HB1 ))

ASSI {890}   (( resid 100  and name  HN  ))   (( resid 102  and name  HA1 )) 3.16 1.46 5.56 peak 14840 weight  1.00000E+00 volume  4.80373E+05 ppm1      3.848 ppm2      8.940 !2

ASSI {891}   (( resid 100  and name  HN  ))   (( resid 102  and name  HA2 )) 3.396 1.696 4.156 peak 14841 weight  1.00000E+00 volume  2.70427E+05 ppm1      3.789 ppm2      8.939 !2

ASSI {892}   (( resid 100  and name  HA  ))   (( resid 100  and name  HB2 )) 2.877 1.077 1.077 peak 17239 weight  1.00000E+00 volume  1.12844E+06 ppm1      2.445 ppm2      4.346

ASSI {893}   (( resid 100  and name  HB1 ))   (( resid 101  and name  HN  )) 3.317 1.518 1.518 peak 17248 weight  1.00000E+00 volume  3.21729E+05 ppm1      2.311 ppm2      7.887

ASSI {894}   (( resid 100  and name  HN  ))   (( resid 100  and name  HB1 )) 3.181 1.381 1.381 peak 17251 weight  1.00000E+00 volume  4.58556E+05 ppm1      2.306 ppm2      8.917

ASSI {895}   (( resid 100  and name  HN  ))   (( resid 100  and name  HG2 )) 3.499 1.699 1.699 peak 18965 weight  1.00000E+00 volume  2.13986E+05 ppm1      2.343 ppm2      8.923

ASSI {896}   (( resid 100  and name  HN  ))   (  resid 98   and name  HG2#) 3.612 1.812 1.812 peak 20399 weight  1.00000E+00 volume  5.36502E+05 ppm1      0.408 ppm2      8.928

ASSI {897}   (( resid 99   and name  HA  ))   (( resid 100  and name  HB2 )) 3.481 1.681 1.681 peak 23056 weight  1.00000E+00 volume  2.42855E+05 ppm1      2.444 ppm2      5.476

ASSI {898}   (( resid 101  and name  HD1 ))   (( resid 102  and name  HN  )) 3.756 1.956 1.956 peak 10527 weight  1.00000E+00 volume  1.17074E+05 ppm1      1.623 ppm2      8.599

ASSI {899}   (  resid 124  and name  HE# )   (( resid 101  and name  HN  )) 3.432 1.632 1.632 peak 11713 weight  1.00000E+00 volume  8.45741E+05 ppm1      2.023 ppm2      7.890

ASSI {900}   (  resid 101  and name  HE# )   (( resid 101  and name  HA  )) 3.318 1.518 1.518 peak 12168 weight  1.00000E+00 volume  3.62368E+05 ppm1      2.911 ppm2      4.493

ASSI {901}   (( resid 101  and name  HG1 ))   (( resid 102  and name  HN  )) 3.88 2.08 2.08 peak 12206 weight  1.00000E+00 volume  9.23815E+04 ppm1      1.178 ppm2      8.596

ASSI {902}   (( resid 105  and name  HB1 ))   (( resid 101  and name  HN  )) 3.732 1.932 1.932 peak 13108 weight  1.00000E+00 volume  1.39785E+05 ppm1      3.781 ppm2      7.869

ASSI {903}   (( resid 105  and name  HB2 ))   (( resid 101  and name  HN  )) 3.663 1.864 1.864 peak 13109 weight  1.00000E+00 volume  1.53482E+05 ppm1      3.748 ppm2      7.869

ASSI {904}   (( resid 101  and name  HG1 ))   (( resid 107  and name  HA  )) 3.353 1.653 3.263 peak 14549 weight  1.00000E+00 volume  2.88985E+05 ppm1      3.866 ppm2      1.179 !2

ASSI {905}   (( resid 101  and name  HA  ))   (  resid 99   and name  HB# ) 3.558 1.758 1.758 peak 15629 weight  1.00000E+00 volume  1.89943E+05 ppm1      4.500 ppm2      3.378

ASSI {906}   (( resid 128  and name  HB2 ))   (( resid 101  and name  HA  )) 2.973 1.173 1.173 peak 15630 weight  1.00000E+00 volume  8.86755E+05 ppm1      4.505 ppm2      3.153

ASSI {907}   (( resid 104  and name  HA  ))   (( resid 101  and name  HA  )) 3.439 1.739 3.499 peak 15632 weight  1.00000E+00 volume  2.42755E+05 ppm1      4.506 ppm2      2.612 !2

ASSI {908}   (( resid 128  and name  HB1 ))   (( resid 101  and name  HA  )) 2.958 1.158 1.158 peak 15633 weight  1.00000E+00 volume  9.00501E+05 ppm1      4.505 ppm2      2.435

ASSI {909}   (( resid 101  and name  HA  ))   (( resid 126  and name  HB1 )) 3.178 1.478 5.957 peak 15636 weight  1.00000E+00 volume  4.18104E+05 ppm1      4.501 ppm2      1.973 !4

ASSI {910}   (( resid 101  and name  HB1 ))   (( resid 101  and name  HA  )) 2.844 1.044 1.044 peak 15637 weight  1.00000E+00 volume  1.26881E+06 ppm1      4.503 ppm2      1.791

ASSI {911}   (( resid 101  and name  HD1 ))   (( resid 101  and name  HA  )) 2.956 1.256 1.716 peak 15638 weight  1.00000E+00 volume  9.18497E+05 ppm1      4.495 ppm2      1.633 !1

ASSI {912}   (( resid 101  and name  HD2 ))   (( resid 101  and name  HA  )) 2.531 0.831 2.301 peak 15639 weight  1.00000E+00 volume  3.60818E+06 ppm1      4.489 ppm2      1.462 !1

ASSI {913}   (( resid 101  and name  HG2 ))   (( resid 101  and name  HA  )) 2.823 1.023 1.023 peak 15640 weight  1.00000E+00 volume  1.40109E+06 ppm1      4.503 ppm2      1.270

ASSI {914}   (( resid 101  and name  HA  ))   (( resid 101  and name  HN  )) 3.321 1.521 1.521 peak 15644 weight  1.00000E+00 volume  3.33280E+05 ppm1      4.503 ppm2      7.874

ASSI {915}   (( resid 105  and name  HA  ))   (( resid 101  and name  HN  )) 3.371 1.571 1.571 peak 16828 weight  1.00000E+00 volume  2.90566E+05 ppm1      4.906 ppm2      7.859

ASSI {916}   (( resid 101  and name  HB2 ))   (( resid 105  and name  HA  )) 3.33 1.53 1.53 peak 17115 weight  1.00000E+00 volume  3.13070E+05 ppm1      1.493 ppm2      4.913

ASSI {917}   (( resid 101  and name  HB1 ))   (( resid 102  and name  HN  )) 3.321 1.521 1.521 peak 17120 weight  1.00000E+00 volume  3.28514E+05 ppm1      1.790 ppm2      8.595

ASSI {918}   (( resid 101  and name  HB1 ))   (( resid 101  and name  HN  )) 3.473 1.673 1.673 peak 23008 weight  1.00000E+00 volume  2.28013E+05 ppm1      1.788 ppm2      7.882

ASSI {919}   (( resid 102  and name  HN  ))   (( resid 128  and name  HB2 )) 3.447 1.647 1.647 peak 13240 weight  1.00000E+00 volume  2.48100E+05 ppm1      3.155 ppm2      8.593

ASSI {920}   (( resid 160  and name  HG1 ))   (( resid 102  and name  HN  )) 3.316 1.616 3.365 peak 13268 weight  1.00000E+00 volume  3.26805E+05 ppm1      1.492 ppm2      8.603 !2

ASSI {921}   (( resid 102  and name  HA2 ))   (( resid 159  and name  HA  )) 3.364 1.563 1.563 peak 14017 weight  1.00000E+00 volume  2.97274E+05 ppm1      5.284 ppm2      3.777

ASSI {922}   (( resid 102  and name  HA1 ))   (( resid 104  and name  HN  )) 3.195 1.495 1.905 peak 14835 weight  1.00000E+00 volume  4.47445E+05 ppm1      3.841 ppm2      7.908 !1

ASSI {923}   (( resid 102  and name  HA1 ))   (( resid 102  and name  HN  )) 2.955 1.155 1.155 peak 14837 weight  1.00000E+00 volume  8.40021E+05 ppm1      3.848 ppm2      8.594

ASSI {924}   (( resid 102  and name  HA2 ))   (( resid 102  and name  HN  )) 3.228 1.428 1.428 peak 14838 weight  1.00000E+00 volume  4.14296E+05 ppm1      3.783 ppm2      8.592

ASSI {925}   (( resid 102  and name  HA1 ))   (( resid 103  and name  HA  )) 3.199 1.399 1.399 peak 18145 weight  1.00000E+00 volume  4.89681E+05 ppm1      3.080 ppm2      3.843

ASSI {926}   (( resid 102  and name  HA1 ))   (( resid 129  and name  HA  )) 3.172 1.472 2.132 peak 18353 weight  1.00000E+00 volume  4.73535E+05 ppm1      4.629 ppm2      3.858 !1

ASSI {927}   (( resid 102  and name  HA2 ))   (( resid 129  and name  HA  )) 3.147 1.347 1.347 peak 18354 weight  1.00000E+00 volume  5.21553E+05 ppm1      4.629 ppm2      3.788

ASSI {928}   (( resid 159  and name  HD1 ))   (( resid 103  and name  HA  )) 3.056 1.356 6.596 peak 10513 weight  1.00000E+00 volume  7.91710E+05 ppm1      1.618 ppm2      3.075 !4

ASSI {929}   (( resid 159  and name  HD2 ))   (( resid 103  and name  HA  )) 3.484 1.784 6.043 peak 12954 weight  1.00000E+00 volume  2.41151E+05 ppm1      1.568 ppm2      3.070 !4

ASSI {930}   (( resid 159  and name  HG2 ))   (( resid 103  and name  HA  )) 3.63 1.93 3.62 peak 14570 weight  1.00000E+00 volume  1.79822E+05 ppm1      1.327 ppm2      3.092 !2

ASSI {931}   (( resid 103  and name  HA  ))   (( resid 103  and name  HB2 )) 2.773 0.973 0.973 peak 18135 weight  1.00000E+00 volume  1.66907E+06 ppm1      3.077 ppm2      2.386

ASSI {932}   (( resid 103  and name  HA  ))   (( resid 158  and name  HB2 )) 3.088 1.288 1.288 peak 18137 weight  1.00000E+00 volume  6.34390E+05 ppm1      3.078 ppm2      1.968

ASSI {933}   (( resid 103  and name  HA  ))   (( resid 129  and name  HB2 )) 3.711 1.911 1.911 peak 18146 weight  1.00000E+00 volume  1.42617E+05 ppm1      3.072 ppm2      4.283

ASSI {934}   (( resid 103  and name  HA  ))   (( resid 129  and name  HB1 )) 3.34 1.64 1.97 peak 18147 weight  1.00000E+00 volume  3.64116E+05 ppm1      3.081 ppm2      4.502 !1

ASSI {935}   (( resid 103  and name  HA  ))   (  resid 104  and name  HD# ) 3.639 1.839 1.839 peak 18149 weight  1.00000E+00 volume  3.38403E+05 ppm1      3.075 ppm2      6.581

ASSI {936}   (( resid 103  and name  HA  ))   (( resid 158  and name  HN  )) 2.985 1.285 3.545 peak 18157 weight  1.00000E+00 volume  8.81261E+05 ppm1      3.081 ppm2      8.969 !3

ASSI {937}   (( resid 160  and name  HD2 ))   (( resid 103  and name  HA  )) 3.727 2.027 5.407 peak 18489 weight  1.00000E+00 volume  1.39233E+05 ppm1      4.107 ppm2      3.086 !3

ASSI {938}   (( resid 103  and name  HA  ))   (( resid 103  and name  HB1 )) 2.61 0.81 0.81 peak 19455 weight  1.00000E+00 volume  2.78620E+06 ppm1      2.599 ppm2      3.081

ASSI {939}   (( resid 105  and name  HN  ))   (( resid 103  and name  HB2 )) 3.649 1.949 3.529 peak 19461 weight  1.00000E+00 volume  1.47329E+05 ppm1      2.385 ppm2      6.469 !2

ASSI {940}   (( resid 103  and name  HA  ))   (( resid 104  and name  HA  )) 3.571 1.77 1.77 peak 20437 weight  1.00000E+00 volume  1.86292E+05 ppm1      2.582 ppm2      3.068

ASSI {941}   (( resid 103  and name  HA  ))   (  resid 104  and name  HE# ) 3.918 2.119 2.119 peak 23365 weight  1.00000E+00 volume  1.92171E+05 ppm1      3.082 ppm2      7.214

ASSI {942}   (( resid 104  and name  HB1 ))   (( resid 158  and name  HA  )) 3.846 2.146 2.646 peak 13028 weight  1.00000E+00 volume  1.02340E+05 ppm1      2.951 ppm2      3.400 !1

ASSI {943}   (  resid 104  and name  HD# )   (( resid 130  and name  HA  )) 4.096 2.296 2.296 peak 13660 weight  1.00000E+00 volume  1.27719E+05 ppm1      5.819 ppm2      6.606

ASSI {944}   (( resid 130  and name  HA  ))   (( resid 104  and name  HZ  )) 3.166 1.466 4.796 peak 13662 weight  1.00000E+00 volume  5.12478E+05 ppm1      5.813 ppm2      6.891 !3

ASSI {945}   (( resid 104  and name  HZ  ))   (( resid 156  and name  HA  )) 3.96 2.159 2.159 peak 15309 weight  1.00000E+00 volume  8.42194E+04 ppm1      3.943 ppm2      6.874

ASSI {946}   (( resid 129  and name  HA  ))   (  resid 104  and name  HD# ) 3.866 2.066 2.066 peak 18362 weight  1.00000E+00 volume  1.88993E+05 ppm1      4.641 ppm2      6.599

ASSI {947}   (( resid 129  and name  HA  ))   (  resid 104  and name  HE# ) 3.719 1.919 1.919 peak 18364 weight  1.00000E+00 volume  2.75559E+05 ppm1      4.628 ppm2      7.222

ASSI {948}   (  resid 104  and name  HD# )   (( resid 158  and name  HA  )) 4.025 2.225 2.225 peak 19532 weight  1.00000E+00 volume  1.45953E+05 ppm1      3.376 ppm2      6.583

ASSI {949}   (( resid 158  and name  HA  ))   (( resid 104  and name  HZ  )) 3.426 1.626 1.626 peak 19533 weight  1.00000E+00 volume  2.79198E+05 ppm1      3.385 ppm2      6.884

ASSI {950}   (( resid 104  and name  HA  ))   (( resid 105  and name  HA  )) 3.551 1.752 1.752 peak 20442 weight  1.00000E+00 volume  1.89000E+05 ppm1      2.578 ppm2      4.891

ASSI {951}   (( resid 104  and name  HB1 ))   (( resid 105  and name  HA  )) 3.296 1.496 1.496 peak 22912 weight  1.00000E+00 volume  3.51145E+05 ppm1      4.886 ppm2      2.938

ASSI {952}   (( resid 106  and name  HA1 ))   (( resid 105  and name  HA  )) 3.142 1.342 1.342 peak 11076 weight  1.00000E+00 volume  5.26484E+05 ppm1      3.846 ppm2      4.888

ASSI {953}   (( resid 105  and name  HB1 ))   (( resid 105  and name  HA  )) 2.566 0.7655 0.7655 peak 13102 weight  1.00000E+00 volume  3.23276E+06 ppm1      3.779 ppm2      4.886

ASSI {954}   (( resid 105  and name  HB2 ))   (( resid 105  and name  HA  )) 2.555 0.7555 0.7555 peak 13103 weight  1.00000E+00 volume  3.37823E+06 ppm1      3.750 ppm2      4.888

ASSI {955}   (( resid 105  and name  HN  ))   (( resid 105  and name  HB1 )) 2.994 1.193 1.193 peak 13106 weight  1.00000E+00 volume  8.26529E+05 ppm1      3.779 ppm2      6.467

ASSI {956}   (( resid 105  and name  HN  ))   (( resid 105  and name  HB2 )) 2.96 1.16 1.16 peak 13107 weight  1.00000E+00 volume  9.22171E+05 ppm1      3.749 ppm2      6.465

ASSI {957}   (( resid 105  and name  HB1 ))   (( resid 106  and name  HN  )) 2.97 1.17 1.17 peak 13110 weight  1.00000E+00 volume  8.69782E+05 ppm1      3.787 ppm2      8.374

ASSI {958}   (( resid 105  and name  HB2 ))   (( resid 106  and name  HN  )) 2.878 1.078 1.078 peak 13111 weight  1.00000E+00 volume  1.14064E+06 ppm1      3.747 ppm2      8.374

ASSI {959}   (( resid 105  and name  HA  ))   (  resid 99   and name  HE# ) 3.521 1.721 1.721 peak 16826 weight  1.00000E+00 volume  4.33716E+05 ppm1      4.899 ppm2      6.399

ASSI {960}   (( resid 106  and name  HA2 ))   (( resid 105  and name  HA  )) 2.775 1.075 1.815 peak 16831 weight  1.00000E+00 volume  1.51610E+06 ppm1      4.892 ppm2      4.104 !1

ASSI {961}   (( resid 106  and name  HA2 ))   (( resid 106  and name  HN  )) 3.145 1.345 1.345 peak 11077 weight  1.00000E+00 volume  5.06687E+05 ppm1      4.103 ppm2      8.374

ASSI {962}   (( resid 106  and name  HA2 ))   (( resid 107  and name  HN  )) 3.289 1.489 1.489 peak 11079 weight  1.00000E+00 volume  3.66160E+05 ppm1      4.101 ppm2      8.769

ASSI {963}   (( resid 106  and name  HA2 ))   (( resid 107  and name  HA  )) 3.508 1.708 1.708 peak 14535 weight  1.00000E+00 volume  1.62003E+05 ppm1      3.868 ppm2      4.120

ASSI {964}   (( resid 107  and name  HB1 ))   (( resid 108  and name  HA  )) 3.234 1.433 1.433 peak 14335 weight  1.00000E+00 volume  3.92906E+05 ppm1      4.945 ppm2      1.863
OR {964}   (( resid 107  and name  HG2 ))   (( resid 108  and name  HA  ))

ASSI {965}   (( resid 107  and name  HA  ))   (  resid 99   and name  HB# ) 3.665 1.965 2.945 peak 14538 weight  1.00000E+00 volume  1.57743E+05 ppm1      3.872 ppm2      3.367 !1

ASSI {966}   (( resid 107  and name  HA  ))   (( resid 107  and name  HG1 )) 2.874 1.074 1.074 peak 14542 weight  1.00000E+00 volume  1.20032E+06 ppm1      3.868 ppm2      2.375

ASSI {967}   (  resid 124  and name  HE# )   (( resid 107  and name  HA  )) 3.073 1.373 2.263 peak 14544 weight  1.00000E+00 volume  2.06348E+06 ppm1      3.862 ppm2      2.048 !1

ASSI {968}   (( resid 107  and name  HA  ))   (( resid 107  and name  HG2 )) 2.577 0.777 0.777 peak 14545 weight  1.00000E+00 volume  3.26413E+06 ppm1      3.864 ppm2      1.842
OR {968}   (( resid 107  and name  HA  ))   (( resid 107  and name  HB1 ))

ASSI {969}   (( resid 107  and name  HA  ))   (( resid 109  and name  HB2 )) 2.814 1.114 5.524 peak 14546 weight  1.00000E+00 volume  1.41387E+06 ppm1      3.870 ppm2      1.695 !3

ASSI {970}   (  resid 108  and name  HB# )   (( resid 107  and name  HA  )) 2.645 0.945 1.626 peak 14547 weight  1.00000E+00 volume  2.30671E+06 ppm1      3.865 ppm2      1.516 !1

ASSI {971}   (( resid 107  and name  HA  ))   (( resid 108  and name  HA  )) 3.242 1.442 1.442 peak 14552 weight  1.00000E+00 volume  4.09335E+05 ppm1      3.867 ppm2      4.936

ASSI {972}   (( resid 107  and name  HA  ))   (( resid 108  and name  HN  )) 2.688 0.8885 0.8885 peak 14557 weight  1.00000E+00 volume  2.15566E+06 ppm1      3.863 ppm2      7.745

ASSI {973}   (( resid 109  and name  HA  ))   (( resid 107  and name  HA  )) 3.183 1.483 4.513 peak 14982 weight  1.00000E+00 volume  4.64035E+05 ppm1      4.594 ppm2      3.866 !3

ASSI {974}   (( resid 107  and name  HB1 ))   (( resid 107  and name  HN  )) 3.158 1.358 1.358 peak 16178 weight  1.00000E+00 volume  5.22464E+05 ppm1      1.862 ppm2      8.771

ASSI {975}   (( resid 99   and name  HA  ))   (( resid 107  and name  HA  )) 3.524 1.724 1.724 peak 16770 weight  1.00000E+00 volume  2.07865E+05 ppm1      5.484 ppm2      3.876

ASSI {976}   (( resid 107  and name  HG2 ))   (( resid 108  and name  HN  )) 3.285 1.585 2.255 peak 17412 weight  1.00000E+00 volume  3.66587E+05 ppm1      1.854 ppm2      7.745 !1

ASSI {977}   (( resid 107  and name  HG2 ))   (( resid 107  and name  HN  )) 3.208 1.508 2.198 peak 17413 weight  1.00000E+00 volume  4.46119E+05 ppm1      1.854 ppm2      8.763 !1

ASSI {978}   (( resid 99   and name  HA  ))   (( resid 107  and name  HB1 )) 3.429 1.629 1.629 peak 20230 weight  1.00000E+00 volume  2.49758E+05 ppm1      5.490 ppm2      1.842
OR {978}   (( resid 99   and name  HA  ))   (( resid 107  and name  HG2 ))

ASSI {979}   (  resid 98   and name  HG2#)   (( resid 107  and name  HN  )) 3.511 1.811 3.511 peak 20400 weight  1.00000E+00 volume  6.72378E+05 ppm1      0.408 ppm2      8.749 !2

ASSI {980}   (  resid 108  and name  HB# )   (( resid 108  and name  HA  )) 2.967 1.167 1.167 peak 13360 weight  1.00000E+00 volume  8.79012E+05 ppm1      1.521 ppm2      4.954

ASSI {981}   (  resid 108  and name  HB# )   (( resid 97   and name  HA  )) 3.697 1.997 2.657 peak 13361 weight  1.00000E+00 volume  1.36019E+05 ppm1      1.525 ppm2      5.139 !1

ASSI {982}   (  resid 108  and name  HB# )   (( resid 108  and name  HN  )) 3.151 1.351 1.351 peak 13369 weight  1.00000E+00 volume  5.16566E+05 ppm1      1.520 ppm2      7.750

ASSI {983}   (  resid 108  and name  HB# )   (( resid 109  and name  HN  )) 3.488 1.688 1.688 peak 13370 weight  1.00000E+00 volume  2.16493E+05 ppm1      1.523 ppm2      8.236

ASSI {984}   (( resid 108  and name  HA  ))   (  resid 99   and name  HB# ) 3.424 1.624 1.624 peak 14330 weight  1.00000E+00 volume  2.62688E+05 ppm1      4.949 ppm2      3.361

ASSI {985}   (( resid 108  and name  HG1 ))   (( resid 108  and name  HA  )) 2.894 1.095 1.095 peak 14338 weight  1.00000E+00 volume  1.03338E+06 ppm1      4.959 ppm2      1.452

ASSI {986}   (( resid 98   and name  HG11))   (( resid 108  and name  HA  )) 3.476 1.776 2.396 peak 14340 weight  1.00000E+00 volume  2.28257E+05 ppm1      4.959 ppm2      0.734 !1

ASSI {987}   (  resid 127  and name  HD1#)   (( resid 108  and name  HA  )) 4.312 2.612 3.672 peak 14342 weight  1.00000E+00 volume  1.18118E+05 ppm1      4.950 ppm2      0.325 !1

ASSI {988}   (( resid 109  and name  HA  ))   (  resid 108  and name  HE# ) 3.588 1.788 1.788 peak 15720 weight  1.00000E+00 volume  6.20135E+05 ppm1      1.785 ppm2      4.587

ASSI {989}   (  resid 108  and name  HE# )   (( resid 108  and name  HA  )) 3.326 1.526 1.526 peak 15721 weight  1.00000E+00 volume  1.12934E+06 ppm1      1.784 ppm2      4.944

ASSI {990}   (  resid 108  and name  HE# )   (( resid 110  and name  HA  )) 3.473 1.673 1.673 peak 15723 weight  1.00000E+00 volume  7.94996E+05 ppm1      1.786 ppm2      5.454

ASSI {991}   (  resid 108  and name  HE# )   (( resid 110  and name  HN  )) 3.414 1.614 1.614 peak 15731 weight  1.00000E+00 volume  9.14873E+05 ppm1      1.785 ppm2      8.808

ASSI {992}   (( resid 109  and name  HA  ))   (( resid 108  and name  HG2 )) 3.772 1.972 1.972 peak 15909 weight  1.00000E+00 volume  1.16775E+05 ppm1      1.405 ppm2      4.577

ASSI {993}   (( resid 109  and name  HA  ))   (( resid 108  and name  HG1 )) 3.664 1.864 1.864 peak 15910 weight  1.00000E+00 volume  1.32066E+05 ppm1      1.457 ppm2      4.574

ASSI {994}   (( resid 108  and name  HG2 ))   (( resid 108  and name  HA  )) 3.024 1.224 1.224 peak 15913 weight  1.00000E+00 volume  7.72103E+05 ppm1      1.405 ppm2      4.941

ASSI {995}   (( resid 108  and name  HG2 ))   (( resid 97   and name  HA  )) 3.486 1.686 1.686 peak 15915 weight  1.00000E+00 volume  2.31345E+05 ppm1      1.400 ppm2      5.142

ASSI {996}   (( resid 108  and name  HG1 ))   (( resid 97   and name  HA  )) 3.348 1.547 1.547 peak 15916 weight  1.00000E+00 volume  3.08508E+05 ppm1      1.457 ppm2      5.143

ASSI {997}   (( resid 108  and name  HG1 ))   (( resid 99   and name  HA  )) 3.556 1.756 1.756 peak 15917 weight  1.00000E+00 volume  1.88726E+05 ppm1      1.458 ppm2      5.473

ASSI {998}   (( resid 108  and name  HG2 ))   (( resid 99   and name  HA  )) 3.486 1.786 2.816 peak 15918 weight  1.00000E+00 volume  2.35426E+05 ppm1      1.402 ppm2      5.478 !2

ASSI {999}   (( resid 108  and name  HG2 ))   (( resid 109  and name  HN  )) 3.325 1.525 1.525 peak 15926 weight  1.00000E+00 volume  3.26895E+05 ppm1      1.408 ppm2      8.227

ASSI {1000}   (( resid 108  and name  HG2 ))   (( resid 110  and name  HN  )) 3.482 1.683 1.683 peak 15927 weight  1.00000E+00 volume  2.36073E+05 ppm1      1.406 ppm2      8.808

ASSI {1001}   (( resid 108  and name  HG1 ))   (( resid 110  and name  HN  )) 3.396 1.696 3.365 peak 15928 weight  1.00000E+00 volume  2.76600E+05 ppm1      1.454 ppm2      8.809 !2

ASSI {1002}   (( resid 109  and name  HB1 ))   (( resid 108  and name  HA  )) 3.512 1.812 2.432 peak 19849 weight  1.00000E+00 volume  2.18597E+05 ppm1      2.596 ppm2      4.948 !1

ASSI {1003}   (( resid 109  and name  HB2 ))   (( resid 108  and name  HA  )) 3.784 1.984 1.984 peak 19850 weight  1.00000E+00 volume  1.09812E+05 ppm1      1.714 ppm2      4.964

ASSI {1004}   (( resid 99   and name  HA  ))   (( resid 108  and name  HA  )) 3.117 1.317 1.317 peak 20222 weight  1.00000E+00 volume  6.32464E+05 ppm1      5.499 ppm2      4.967

ASSI {1005}   (  resid 98   and name  HG2#)   (( resid 108  and name  HA  )) 3.739 1.939 1.939 peak 20386 weight  1.00000E+00 volume  4.32286E+05 ppm1      0.410 ppm2      4.936

ASSI {1006}   (( resid 98   and name  HB  ))   (( resid 108  and name  HA  )) 3.619 1.818 1.818 peak 20982 weight  1.00000E+00 volume  1.67641E+05 ppm1      1.696 ppm2      4.961

ASSI {1007}   (( resid 97   and name  HB1 ))   (( resid 108  and name  HA  )) 3.402 1.702 3.283 peak 21629 weight  1.00000E+00 volume  2.68043E+05 ppm1      1.508 ppm2      4.939 !2

ASSI {1008}   (( resid 99   and name  HA  ))   (  resid 108  and name  HB# ) 3.495 1.695 1.695 peak 21824 weight  1.00000E+00 volume  2.31508E+05 ppm1      1.521 ppm2      5.478

ASSI {1009}   (  resid 109  and name  HD# )   (( resid 122  and name  HA  )) 3.249 1.449 1.449 peak 10709 weight  1.00000E+00 volume  8.12861E+05 ppm1      4.372 ppm2      6.994

ASSI {1010}   (( resid 109  and name  HA  ))   (( resid 110  and name  HB1 )) 3.448 1.648 1.648 peak 12266 weight  1.00000E+00 volume  2.45419E+05 ppm1      2.008 ppm2      4.571

ASSI {1011}   (( resid 109  and name  HA  ))   (( resid 109  and name  HB2 )) 3.153 1.353 1.353 peak 14222 weight  1.00000E+00 volume  5.40926E+05 ppm1      1.718 ppm2      4.577

ASSI {1012}   (( resid 109  and name  HB2 ))   (( resid 109  and name  HN  )) 3.598 1.798 1.798 peak 14231 weight  1.00000E+00 volume  1.70055E+05 ppm1      1.719 ppm2      8.228

ASSI {1013}   (( resid 109  and name  HA  ))   (( resid 122  and name  HB1 )) 3.326 1.626 3.056 peak 14784 weight  1.00000E+00 volume  3.36481E+05 ppm1      4.597 ppm2      2.781 !2

ASSI {1014}   (( resid 109  and name  HA  ))   (( resid 96   and name  HG12)) 3.503 1.803 4.773 peak 14795 weight  1.00000E+00 volume  2.32793E+05 ppm1      4.588 ppm2      0.914 !3

ASSI {1015}   (( resid 109  and name  HA  ))   (( resid 98   and name  HG11)) 2.886 1.186 2.837 peak 14995 weight  1.00000E+00 volume  1.14044E+06 ppm1      4.591 ppm2      0.721 !2

ASSI {1016}   (( resid 109  and name  HA  ))   (( resid 121  and name  HE21)) 2.804 1.104 6.295 peak 15002 weight  1.00000E+00 volume  1.43091E+06 ppm1      4.591 ppm2      7.022 !2

ASSI {1017}   (( resid 109  and name  HA  ))   (  resid 122  and name  HE# ) 3.793 1.993 1.993 peak 15003 weight  1.00000E+00 volume  2.37013E+05 ppm1      4.588 ppm2      7.333

ASSI {1018}   (  resid 131  and name  HG# )   (( resid 109  and name  HN  )) 3.623 1.923 5.353 peak 18867 weight  1.00000E+00 volume  1.73939E+05 ppm1      1.535 ppm2      8.238 !3

ASSI {1019}   (( resid 109  and name  HA  ))   (( resid 109  and name  HB1 )) 2.965 1.165 1.165 peak 19847 weight  1.00000E+00 volume  8.94068E+05 ppm1      2.601 ppm2      4.598

ASSI {1020}   (( resid 109  and name  HB1 ))   (( resid 110  and name  HA  )) 3.8 2.0 2.0 peak 19853 weight  1.00000E+00 volume  1.13111E+05 ppm1      2.608 ppm2      5.459

ASSI {1021}   (( resid 109  and name  HB1 ))   (( resid 109  and name  HN  )) 3.701 1.901 1.901 peak 19861 weight  1.00000E+00 volume  1.32314E+05 ppm1      2.603 ppm2      8.218

ASSI {1022}   (( resid 109  and name  HB1 ))   (( resid 110  and name  HN  )) 3.33 1.53 1.53 peak 19862 weight  1.00000E+00 volume  3.24763E+05 ppm1      2.602 ppm2      8.812

ASSI {1023}   (( resid 109  and name  HA  ))   (( resid 97   and name  HB1 )) 3.186 1.486 4.026 peak 21627 weight  1.00000E+00 volume  4.94952E+05 ppm1      1.509 ppm2      4.593 !3

ASSI {1024}   (( resid 96   and name  HG12))   (( resid 110  and name  HN  )) 3.612 1.912 4.132 peak 11297 weight  1.00000E+00 volume  1.76446E+05 ppm1      0.911 ppm2      8.821 !3

ASSI {1025}   (( resid 110  and name  HB1 ))   (( resid 110  and name  HA  )) 3.069 1.268 1.268 peak 12267 weight  1.00000E+00 volume  6.84056E+05 ppm1      2.010 ppm2      5.436

ASSI {1026}   (( resid 110  and name  HB2 ))   (( resid 110  and name  HA  )) 3.024 1.224 1.224 peak 12268 weight  1.00000E+00 volume  7.92202E+05 ppm1      1.901 ppm2      5.445

ASSI {1027}   (( resid 111  and name  HA  ))   (( resid 110  and name  HB2 )) 3.165 1.365 1.365 peak 12269 weight  1.00000E+00 volume  4.97252E+05 ppm1      1.899 ppm2      5.217

ASSI {1028}   (( resid 111  and name  HA  ))   (( resid 110  and name  HB1 )) 3.444 1.744 2.484 peak 12270 weight  1.00000E+00 volume  2.49754E+05 ppm1      2.026 ppm2      5.214 !1

ASSI {1029}   (( resid 97   and name  HA  ))   (( resid 110  and name  HB1 )) 3.488 1.688 1.688 peak 12271 weight  1.00000E+00 volume  2.20236E+05 ppm1      2.024 ppm2      5.151

ASSI {1030}   (( resid 110  and name  HB2 ))   (( resid 110  and name  HN  )) 3.203 1.403 1.403 peak 12275 weight  1.00000E+00 volume  4.50859E+05 ppm1      1.908 ppm2      8.807

ASSI {1031}   (( resid 97   and name  HA  ))   (( resid 110  and name  HA  )) 2.956 1.156 1.156 peak 12834 weight  1.00000E+00 volume  9.28800E+05 ppm1      5.446 ppm2      5.141

ASSI {1032}   (( resid 110  and name  HA  ))   (( resid 97   and name  HG1 )) 3.123 1.324 1.324 peak 12836 weight  1.00000E+00 volume  5.43380E+05 ppm1      5.446 ppm2      2.195

ASSI {1033}   (  resid 98   and name  HG2#)   (( resid 110  and name  HA  )) 4.405 2.605 2.605 peak 12841 weight  1.00000E+00 volume  1.13498E+05 ppm1      5.436 ppm2      0.398

ASSI {1034}   (  resid 96   and name  HG2#)   (( resid 110  and name  HA  )) 4.107 2.307 2.307 peak 12842 weight  1.00000E+00 volume  1.83614E+05 ppm1      5.439 ppm2     -0.448

ASSI {1035}   (( resid 110  and name  HA  ))   (  resid 173  and name  HE# ) 4.113 2.413 3.813 peak 12843 weight  1.00000E+00 volume  1.26206E+05 ppm1      5.455 ppm2      7.262 !2

ASSI {1036}   (( resid 95   and name  HB2 ))   (( resid 110  and name  HA  )) 3.908 2.208 3.618 peak 15372 weight  1.00000E+00 volume  9.02666E+04 ppm1      2.074 ppm2      5.452 !2

ASSI {1037}   (  resid 98   and name  HD1#)   (( resid 110  and name  HN  )) 3.671 1.971 2.422 peak 17962 weight  1.00000E+00 volume  4.82481E+05 ppm1      0.296 ppm2      8.815 !1

ASSI {1038}   (( resid 110  and name  HG2 ))   (( resid 110  and name  HA  )) 3.07 1.27 1.27 peak 18910 weight  1.00000E+00 volume  6.97393E+05 ppm1      2.082 ppm2      5.432

ASSI {1039}   (( resid 110  and name  HG1 ))   (( resid 110  and name  HA  )) 3.07 1.27 1.27 peak 18911 weight  1.00000E+00 volume  6.72940E+05 ppm1      2.019 ppm2      5.439

ASSI {1040}   (( resid 111  and name  HA  ))   (( resid 110  and name  HG1 )) 3.406 1.606 1.606 peak 18912 weight  1.00000E+00 volume  2.79469E+05 ppm1      2.029 ppm2      5.211

ASSI {1041}   (( resid 111  and name  HA  ))   (( resid 110  and name  HG2 )) 3.504 1.804 2.954 peak 18913 weight  1.00000E+00 volume  2.19427E+05 ppm1      2.074 ppm2      5.213 !2

ASSI {1042}   (( resid 97   and name  HA  ))   (( resid 110  and name  HG1 )) 3.466 1.766 3.506 peak 18914 weight  1.00000E+00 volume  2.34439E+05 ppm1      2.024 ppm2      5.154 !2

ASSI {1043}   (  resid 111  and name  HG2#)   (( resid 110  and name  HA  )) 3.507 1.707 1.707 peak 20852 weight  1.00000E+00 volume  7.14494E+05 ppm1      1.470 ppm2      5.433

ASSI {1044}   (( resid 97   and name  HA  ))   (( resid 111  and name  HN  )) 3.016 1.316 2.706 peak 11987 weight  1.00000E+00 volume  7.51016E+05 ppm1      5.153 ppm2      8.843 !2

ASSI {1045}   (( resid 111  and name  HA  ))   (  resid 112  and name  HG2#) 2.938 1.138 1.138 peak 12825 weight  1.00000E+00 volume  3.03720E+06 ppm1      1.500 ppm2      5.233

ASSI {1046}   (( resid 111  and name  HB  ))   (( resid 113  and name  HA  )) 3.272 1.572 4.313 peak 14091 weight  1.00000E+00 volume  4.17348E+05 ppm1      4.401 ppm2      4.750 !2

ASSI {1047}   (( resid 111  and name  HA  ))   (( resid 113  and name  HG1 )) 3.445 1.745 2.875 peak 14699 weight  1.00000E+00 volume  2.62420E+05 ppm1      2.332 ppm2      5.213 !2

ASSI {1048}   (( resid 111  and name  HA  ))   (( resid 113  and name  HG2 )) 3.548 1.748 1.748 peak 14700 weight  1.00000E+00 volume  2.23406E+05 ppm1      2.452 ppm2      5.220

ASSI {1049}   (( resid 111  and name  HA  ))   (( resid 113  and name  HA  )) 3.16 1.46 4.87 peak 16118 weight  1.00000E+00 volume  5.22524E+05 ppm1      5.237 ppm2      4.754 !3

ASSI {1050}   (( resid 111  and name  HA  ))   (( resid 111  and name  HB  )) 2.669 0.869 0.869 peak 16119 weight  1.00000E+00 volume  2.33261E+06 ppm1      5.236 ppm2      4.395

ASSI {1051}   (( resid 111  and name  HA  ))   (  resid 95   and name  HG# ) 3.567 1.867 2.648 peak 16126 weight  1.00000E+00 volume  1.95715E+05 ppm1      5.230 ppm2      1.287 !1

ASSI {1052}   (( resid 111  and name  HA  ))   (( resid 98   and name  HG11)) 3.744 2.044 4.183 peak 16128 weight  1.00000E+00 volume  1.27126E+05 ppm1      5.239 ppm2      0.743 !2

ASSI {1053}   (( resid 111  and name  HA  ))   (  resid 96   and name  HG2#) 4.183 2.383 2.383 peak 16129 weight  1.00000E+00 volume  1.69645E+05 ppm1      5.240 ppm2     -0.457

ASSI {1054}   (( resid 111  and name  HA  ))   (  resid 122  and name  HE# ) 3.809 2.01 2.01 peak 16132 weight  1.00000E+00 volume  2.41656E+05 ppm1      5.226 ppm2      7.336

ASSI {1055}   (  resid 111  and name  HG2#)   (( resid 114  and name  HA  )) 3.514 1.714 1.714 peak 20849 weight  1.00000E+00 volume  6.58226E+05 ppm1      1.479 ppm2      4.776

ASSI {1056}   (( resid 95   and name  HA  ))   (  resid 111  and name  HG2#) 3.811 2.01 2.01 peak 20850 weight  1.00000E+00 volume  3.42578E+05 ppm1      1.474 ppm2      5.015

ASSI {1057}   (  resid 111  and name  HG2#)   (( resid 111  and name  HA  )) 3.233 1.433 1.433 peak 20851 weight  1.00000E+00 volume  1.33728E+06 ppm1      1.469 ppm2      5.220

ASSI {1058}   (( resid 112  and name  HN  ))   (  resid 111  and name  HG2#) 3.78 1.98 1.98 peak 20859 weight  1.00000E+00 volume  3.69455E+05 ppm1      1.472 ppm2      8.161

ASSI {1059}   (  resid 111  and name  HG2#)   (( resid 96   and name  HN  )) 3.873 2.073 2.073 peak 20862 weight  1.00000E+00 volume  2.87736E+05 ppm1      1.470 ppm2      9.029

ASSI {1060}   (( resid 95   and name  HA  ))   (( resid 112  and name  HA  )) 2.583 0.7825 0.7825 peak 12076 weight  1.00000E+00 volume  3.14331E+06 ppm1      5.191 ppm2      5.004

ASSI {1061}   (( resid 112  and name  HA  ))   (( resid 112  and name  HB  )) 2.588 0.788 0.788 peak 12077 weight  1.00000E+00 volume  3.04943E+06 ppm1      5.189 ppm2      4.963

ASSI {1062}   (( resid 95   and name  HE1 ))   (( resid 112  and name  HA  )) 3.262 1.562 3.392 peak 12079 weight  1.00000E+00 volume  4.12559E+05 ppm1      5.184 ppm2      2.772 !2

ASSI {1063}   (( resid 112  and name  HA  ))   (( resid 113  and name  HG2 )) 3.63 1.83 1.83 peak 12080 weight  1.00000E+00 volume  1.55011E+05 ppm1      5.194 ppm2      2.461

ASSI {1064}   (  resid 175  and name  HG# )   (( resid 112  and name  HA  )) 3.644 1.944 4.065 peak 12090 weight  1.00000E+00 volume  1.62281E+05 ppm1      5.185 ppm2      0.547 !2

ASSI {1065}   (( resid 112  and name  HA  ))   (  resid 173  and name  HE# ) 3.981 2.181 2.181 peak 12094 weight  1.00000E+00 volume  1.77677E+05 ppm1      5.179 ppm2      7.269

ASSI {1066}   (( resid 112  and name  HN  ))   (( resid 112  and name  HA  )) 3.264 1.464 1.464 peak 12095 weight  1.00000E+00 volume  3.89574E+05 ppm1      5.192 ppm2      8.161

ASSI {1067}   (  resid 112  and name  HG2#)   (( resid 112  and name  HA  )) 2.765 0.9655 0.9655 peak 12824 weight  1.00000E+00 volume  5.34664E+06 ppm1      1.493 ppm2      5.175

ASSI {1068}   (( resid 112  and name  HN  ))   (  resid 112  and name  HG2#) 3.378 1.579 1.579 peak 12831 weight  1.00000E+00 volume  9.53495E+05 ppm1      1.495 ppm2      8.166

ASSI {1069}   (( resid 96   and name  HN  ))   (  resid 112  and name  HG2#) 3.663 1.864 1.864 peak 12833 weight  1.00000E+00 volume  4.96864E+05 ppm1      1.494 ppm2      9.030

ASSI {1070}   (( resid 112  and name  HA  ))   (( resid 113  and name  HA  )) 3.138 1.338 1.338 peak 16957 weight  1.00000E+00 volume  5.49658E+05 ppm1      4.746 ppm2      5.189

ASSI {1071}   (( resid 94   and name  HB1 ))   (( resid 112  and name  HA  )) 3.614 1.814 1.814 peak 17640 weight  1.00000E+00 volume  1.70959E+05 ppm1      2.759 ppm2      5.187

ASSI {1072}   (( resid 95   and name  HA  ))   (  resid 112  and name  HG2#) 3.216 1.417 1.417 peak 17838 weight  1.00000E+00 volume  1.35661E+06 ppm1      5.006 ppm2      1.513

ASSI {1073}   (( resid 95   and name  HA  ))   (( resid 112  and name  HN  )) 3.66 1.86 1.86 peak 17848 weight  1.00000E+00 volume  1.45841E+05 ppm1      5.014 ppm2      8.142

ASSI {1074}   (  resid 96   and name  HG2#)   (( resid 112  and name  HA  )) 3.562 1.762 1.762 peak 18120 weight  1.00000E+00 volume  6.10001E+05 ppm1     -0.442 ppm2      5.192

ASSI {1075}   (( resid 93   and name  HG1 ))   (( resid 112  and name  HA  )) 3.587 1.887 4.067 peak 21410 weight  1.00000E+00 volume  1.84042E+05 ppm1      5.185 ppm2      2.303 !3

ASSI {1076}   (( resid 112  and name  HA  ))   (( resid 175  and name  HN  )) 3.36 1.66 5.39 peak 21418 weight  1.00000E+00 volume  3.13092E+05 ppm1      5.188 ppm2      8.474 !3

ASSI {1077}   (( resid 112  and name  HN  ))   (( resid 113  and name  HG1 )) 3.444 1.643 1.643 peak 22217 weight  1.00000E+00 volume  2.38347E+05 ppm1      2.340 ppm2      8.145

ASSI {1078}   (( resid 114  and name  HB1 ))   (( resid 113  and name  HA  )) 2.963 1.263 2.183 peak 11149 weight  1.00000E+00 volume  8.92748E+05 ppm1      3.310 ppm2      4.745 !1

ASSI {1079}   (( resid 113  and name  HA  ))   (( resid 113  and name  HG2 )) 2.783 0.983 0.983 peak 14694 weight  1.00000E+00 volume  1.64810E+06 ppm1      2.458 ppm2      4.741

ASSI {1080}   (( resid 113  and name  HA  ))   (( resid 113  and name  HG1 )) 2.751 0.9505 0.9505 peak 14696 weight  1.00000E+00 volume  1.73609E+06 ppm1      2.335 ppm2      4.744

ASSI {1081}   (( resid 113  and name  HG1 ))   (( resid 115  and name  HA  )) 3.175 1.475 2.065 peak 14697 weight  1.00000E+00 volume  4.70645E+05 ppm1      2.331 ppm2      4.936 !1

ASSI {1082}   (( resid 113  and name  HG2 ))   (( resid 115  and name  HA  )) 3.532 1.832 3.332 peak 14698 weight  1.00000E+00 volume  1.94654E+05 ppm1      2.464 ppm2      4.931 !2

ASSI {1083}   (( resid 113  and name  HG1 ))   (( resid 114  and name  HN  )) 3.075 1.275 1.275 peak 14707 weight  1.00000E+00 volume  6.35734E+05 ppm1      2.334 ppm2      8.328

ASSI {1084}   (( resid 113  and name  HG1 ))   (( resid 113  and name  HN  )) 3.08 1.28 1.28 peak 14708 weight  1.00000E+00 volume  6.23366E+05 ppm1      2.338 ppm2      8.450

ASSI {1085}   (( resid 113  and name  HB2 ))   (( resid 113  and name  HA  )) 3.016 1.216 1.216 peak 16967 weight  1.00000E+00 volume  8.30091E+05 ppm1      4.735 ppm2      1.931

ASSI {1086}   (( resid 113  and name  HB1 ))   (( resid 113  and name  HA  )) 2.887 1.087 1.087 peak 20048 weight  1.00000E+00 volume  1.09507E+06 ppm1      2.348 ppm2      4.749

ASSI {1087}   (( resid 137  and name  HZ3 ))   (( resid 113  and name  HA  )) 3.562 1.862 4.202 peak 22958 weight  1.00000E+00 volume  2.06548E+05 ppm1      4.756 ppm2      7.313 !3

ASSI {1088}   (( resid 116  and name  HA  ))   (( resid 114  and name  HB2 )) 3.516 1.716 1.716 peak 11145 weight  1.00000E+00 volume  2.08605E+05 ppm1      2.548 ppm2      3.962
OR {1088}   (( resid 116  and name  HD1 ))   (( resid 114  and name  HB2 ))

ASSI {1089}   (( resid 114  and name  HB1 ))   (( resid 114  and name  HA  )) 2.906 1.106 1.106 peak 11146 weight  1.00000E+00 volume  1.06186E+06 ppm1      3.311 ppm2      4.790

ASSI {1090}   (( resid 114  and name  HB2 ))   (( resid 114  and name  HA  )) 2.966 1.166 1.166 peak 11147 weight  1.00000E+00 volume  8.94912E+05 ppm1      2.547 ppm2      4.789

ASSI {1091}   (( resid 114  and name  HB1 ))   (( resid 174  and name  HA  )) 3.194 1.394 1.394 peak 11151 weight  1.00000E+00 volume  4.43925E+05 ppm1      3.312 ppm2      5.261

ASSI {1092}   (( resid 114  and name  HB2 ))   (( resid 174  and name  HA  )) 3.16 1.36 1.36 peak 11152 weight  1.00000E+00 volume  4.71344E+05 ppm1      2.549 ppm2      5.262

ASSI {1093}   (( resid 114  and name  HB1 ))   (( resid 115  and name  HN  )) 3.2 1.4 1.4 peak 11157 weight  1.00000E+00 volume  4.44616E+05 ppm1      3.312 ppm2      8.990

ASSI {1094}   (( resid 114  and name  HB2 ))   (( resid 115  and name  HN  )) 3.253 1.453 1.453 peak 11158 weight  1.00000E+00 volume  3.95517E+05 ppm1      2.546 ppm2      8.989

ASSI {1095}   (( resid 96   and name  HG12))   (( resid 114  and name  HA  )) 3.437 1.737 5.207 peak 11289 weight  1.00000E+00 volume  2.44846E+05 ppm1      0.900 ppm2      4.769 !2

ASSI {1096}   (( resid 114  and name  HB2 ))   (( resid 115  and name  HA  )) 3.224 1.425 1.425 peak 14128 weight  1.00000E+00 volume  4.23656E+05 ppm1      4.950 ppm2      2.533

ASSI {1097}   (( resid 174  and name  HG1 ))   (( resid 114  and name  HA  )) 3.603 1.903 2.552 peak 14503 weight  1.00000E+00 volume  1.49909E+05 ppm1      1.549 ppm2      4.785 !1

ASSI {1098}   (( resid 174  and name  HB2 ))   (( resid 114  and name  HA  )) 3.348 1.547 1.547 peak 15416 weight  1.00000E+00 volume  3.09365E+05 ppm1      1.670 ppm2      4.772

ASSI {1099}   (( resid 174  and name  HB1 ))   (( resid 114  and name  HA  )) 3.297 1.497 1.497 peak 15417 weight  1.00000E+00 volume  3.43063E+05 ppm1      1.731 ppm2      4.770

ASSI {1100}   (( resid 174  and name  HA  ))   (( resid 114  and name  HA  )) 2.872 1.072 1.072 peak 18070 weight  1.00000E+00 volume  1.18033E+06 ppm1      5.258 ppm2      4.766

ASSI {1101}   (( resid 173  and name  HA  ))   (( resid 114  and name  HB2 )) 3.835 2.035 2.035 peak 20627 weight  1.00000E+00 volume  1.10906E+05 ppm1      6.368 ppm2      2.558

ASSI {1102}   (( resid 121  and name  HG1 ))   (( resid 115  and name  HA  )) 3.361 1.661 3.261 peak 12997 weight  1.00000E+00 volume  2.94712E+05 ppm1      1.538 ppm2      4.944 !2

ASSI {1103}   (( resid 117  and name  HN  ))   (( resid 115  and name  HA  )) 3.112 1.312 1.312 peak 14121 weight  1.00000E+00 volume  5.61283E+05 ppm1      4.946 ppm2      7.187

ASSI {1104}   (( resid 121  and name  HG2 ))   (( resid 115  and name  HA  )) 3.189 1.389 1.389 peak 14132 weight  1.00000E+00 volume  4.40000E+05 ppm1      4.941 ppm2      1.196

ASSI {1105}   (( resid 116  and name  HG1 ))   (( resid 115  and name  HA  )) 3.396 1.596 1.596 peak 15175 weight  1.00000E+00 volume  2.92324E+05 ppm1      1.905 ppm2      4.936

ASSI {1106}   (( resid 174  and name  HA  ))   (( resid 115  and name  HN  )) 3.354 1.554 1.554 peak 18094 weight  1.00000E+00 volume  3.06836E+05 ppm1      5.258 ppm2      8.983

ASSI {1107}   (( resid 172  and name  HA  ))   (( resid 115  and name  HB2 )) 3.474 1.674 1.674 peak 19312 weight  1.00000E+00 volume  2.33755E+05 ppm1      1.040 ppm2      4.568

ASSI {1108}   (( resid 121  and name  HB1 ))   (( resid 115  and name  HA  )) 3.465 1.765 2.765 peak 20699 weight  1.00000E+00 volume  2.30858E+05 ppm1      1.533 ppm2      4.962 !2

ASSI {1109}   (  resid 116  and name  HB# )   (( resid 144  and name  HN  )) 3.854 2.054 2.054 peak 12687 weight  1.00000E+00 volume  1.09014E+05 ppm1      1.926 ppm2      9.688

ASSI {1110}   (( resid 116  and name  HA  ))   (( resid 117  and name  HA  )) 2.859 1.159 1.798 peak 13711 weight  1.00000E+00 volume  1.23493E+06 ppm1      4.909 ppm2      3.946 !1
OR {1110}   (( resid 116  and name  HD1 ))   (( resid 117  and name  HA  ))

ASSI {1111}   (( resid 116  and name  HG2 ))   (( resid 144  and name  HA  )) 3.644 1.845 1.845 peak 15163 weight  1.00000E+00 volume  1.56809E+05 ppm1      2.016 ppm2      3.144

ASSI {1112}   (( resid 116  and name  HG1 ))   (( resid 144  and name  HA  )) 3.797 1.997 1.997 peak 15164 weight  1.00000E+00 volume  1.08559E+05 ppm1      1.896 ppm2      3.151

ASSI {1113}   (( resid 143  and name  HA  ))   (( resid 116  and name  HG1 )) 3.606 1.906 4.276 peak 15172 weight  1.00000E+00 volume  1.86672E+05 ppm1      1.910 ppm2      4.164 !2

ASSI {1114}   (( resid 143  and name  HA  ))   (( resid 116  and name  HG2 )) 3.505 1.805 3.635 peak 15173 weight  1.00000E+00 volume  1.76405E+05 ppm1      2.020 ppm2      4.161 !2

ASSI {1115}   (( resid 116  and name  HG1 ))   (( resid 117  and name  HN  )) 3.656 1.856 1.856 peak 15178 weight  1.00000E+00 volume  1.50662E+05 ppm1      1.898 ppm2      7.175

ASSI {1116}   (( resid 116  and name  HG2 ))   (( resid 117  and name  HN  )) 3.781 1.981 1.981 peak 15179 weight  1.00000E+00 volume  1.13790E+05 ppm1      2.014 ppm2      7.169

ASSI {1117}   (( resid 116  and name  HD2 ))   (( resid 143  and name  HA  )) 3.424 1.724 4.264 peak 15213 weight  1.00000E+00 volume  2.68582E+05 ppm1      3.473 ppm2      4.165 !2

ASSI {1118}   (( resid 116  and name  HD2 ))   (( resid 174  and name  HA  )) 3.773 2.073 3.793 peak 15221 weight  1.00000E+00 volume  1.26510E+05 ppm1      3.471 ppm2      5.270 !2

ASSI {1119}   (( resid 116  and name  HA  ))   (( resid 143  and name  HA  )) 2.749 1.049 2.019 peak 18462 weight  1.00000E+00 volume  1.73372E+06 ppm1      3.950 ppm2      4.150 !1

ASSI {1120}   (( resid 116  and name  HA  ))   (( resid 174  and name  HG1 )) 3.149 1.449 4.299 peak 18471 weight  1.00000E+00 volume  5.10079E+05 ppm1      3.947 ppm2      1.558 !2

ASSI {1121}   (( resid 116  and name  HA  ))   (( resid 174  and name  HN  )) 2.927 1.227 4.627 peak 18486 weight  1.00000E+00 volume  9.98982E+05 ppm1      3.949 ppm2      9.554 !2

ASSI {1122}   (( resid 116  and name  HG2 ))   (( resid 121  and name  HA  )) 3.123 1.423 4.843 peak 20014 weight  1.00000E+00 volume  5.02418E+05 ppm1      3.865 ppm2      2.004 !4

ASSI {1123}   (( resid 173  and name  HA  ))   (  resid 116  and name  HB# ) 3.788 2.088 4.009 peak 20628 weight  1.00000E+00 volume  1.16793E+05 ppm1      6.370 ppm2      1.915 !2

ASSI {1124}   (( resid 144  and name  HB2 ))   (( resid 116  and name  HA  )) 3.504 1.804 2.944 peak 23490 weight  1.00000E+00 volume  2.21338E+05 ppm1      3.942 ppm2      2.568 !2

ASSI {1125}   (( resid 116  and name  HA  ))   (( resid 117  and name  HN  )) 3.533 1.733 1.733 peak 23501 weight  1.00000E+00 volume  2.01343E+05 ppm1      3.943 ppm2      7.164

ASSI {1126}   (( resid 116  and name  HA  ))   (( resid 144  and name  HN  )) 2.965 1.164 1.164 peak 23505 weight  1.00000E+00 volume  8.85478E+05 ppm1      3.952 ppm2      9.668

ASSI {1127}   (( resid 117  and name  HA  ))   (  resid 143  and name  HG# ) 3.128 1.329 1.329 peak 11386 weight  1.00000E+00 volume  5.66874E+05 ppm1      2.047 ppm2      4.922

ASSI {1128}   (  resid 143  and name  HG# )   (( resid 117  and name  HN  )) 3.901 2.201 3.761 peak 11388 weight  1.00000E+00 volume  8.92000E+04 ppm1      2.047 ppm2      7.192 !2

ASSI {1129}   (( resid 117  and name  HB2 ))   (( resid 120  and name  HA  )) 3.271 1.571 2.491 peak 13522 weight  1.00000E+00 volume  4.24168E+05 ppm1      3.876 ppm2      3.513 !1

ASSI {1130}   (( resid 117  and name  HA  ))   (( resid 143  and name  HB1 )) 3.238 1.438 1.438 peak 13552 weight  1.00000E+00 volume  4.19472E+05 ppm1      1.820 ppm2      4.913

ASSI {1131}   (( resid 117  and name  HB2 ))   (( resid 117  and name  HA  )) 3.002 1.202 1.202 peak 13712 weight  1.00000E+00 volume  8.19529E+05 ppm1      4.911 ppm2      3.535

ASSI {1132}   (( resid 117  and name  HA  ))   (( resid 117  and name  HN  )) 3.179 1.38 1.38 peak 13720 weight  1.00000E+00 volume  4.76895E+05 ppm1      4.910 ppm2      7.170

ASSI {1133}   (( resid 117  and name  HA  ))   (( resid 144  and name  HN  )) 3.696 1.896 1.896 peak 13722 weight  1.00000E+00 volume  1.49088E+05 ppm1      4.911 ppm2      9.692

ASSI {1134}   (( resid 143  and name  HA  ))   (( resid 117  and name  HB1 )) 3.101 1.401 3.151 peak 14597 weight  1.00000E+00 volume  6.10649E+05 ppm1      3.966 ppm2      4.137 !2

ASSI {1135}   (( resid 117  and name  HB1 ))   (( resid 123  and name  HA  )) 2.846 1.146 4.426 peak 14600 weight  1.00000E+00 volume  1.31603E+06 ppm1      3.967 ppm2      4.817 !2

ASSI {1136}   (( resid 117  and name  HB1 ))   (( resid 117  and name  HN  )) 3.548 1.748 1.748 peak 14604 weight  1.00000E+00 volume  1.89353E+05 ppm1      3.975 ppm2      7.192

ASSI {1137}   (( resid 117  and name  HB1 ))   (( resid 120  and name  HN  )) 3.45 1.65 1.65 peak 14605 weight  1.00000E+00 volume  2.31492E+05 ppm1      3.964 ppm2      7.655

ASSI {1138}   (  resid 172  and name  HB# )   (( resid 117  and name  HN  )) 3.853 2.053 2.053 peak 15300 weight  1.00000E+00 volume  1.10271E+05 ppm1      4.217 ppm2      7.163

ASSI {1139}   (( resid 117  and name  HA  ))   (( resid 143  and name  HD2 )) 3.027 1.327 3.637 peak 16359 weight  1.00000E+00 volume  6.98175E+05 ppm1      3.620 ppm2      4.929 !3

ASSI {1140}   (( resid 117  and name  HA  ))   (( resid 143  and name  HD1 )) 2.925 1.225 4.315 peak 16360 weight  1.00000E+00 volume  9.10816E+05 ppm1      3.676 ppm2      4.926 !3

ASSI {1141}   (( resid 117  and name  HB2 ))   (( resid 119  and name  HA  )) 3.294 1.594 3.934 peak 16419 weight  1.00000E+00 volume  3.78767E+05 ppm1      4.254 ppm2      3.511 !2

ASSI {1142}   (( resid 117  and name  HB2 ))   (( resid 123  and name  HA  )) 3.083 1.383 5.404 peak 16678 weight  1.00000E+00 volume  6.40628E+05 ppm1      3.518 ppm2      4.816 !2

ASSI {1143}   (( resid 117  and name  HB2 ))   (( resid 117  and name  HN  )) 3.388 1.587 1.587 peak 16679 weight  1.00000E+00 volume  2.93653E+05 ppm1      3.513 ppm2      7.182

ASSI {1144}   (  resid 172  and name  HB# )   (( resid 117  and name  HA  )) 2.912 1.112 1.112 peak 16833 weight  1.00000E+00 volume  1.03867E+06 ppm1      4.912 ppm2      4.221

ASSI {1145}   (( resid 143  and name  HA  ))   (( resid 117  and name  HA  )) 2.883 1.083 1.083 peak 16834 weight  1.00000E+00 volume  1.10188E+06 ppm1      4.914 ppm2      4.148

ASSI {1146}   (( resid 117  and name  HA  ))   (( resid 144  and name  HA  )) 3.525 1.825 2.185 peak 22920 weight  1.00000E+00 volume  2.01080E+05 ppm1      3.161 ppm2      4.907 !1

ASSI {1147}   (( resid 172  and name  HA  ))   (( resid 118  and name  HN  )) 3.268 1.468 1.468 peak 10643 weight  1.00000E+00 volume  3.55736E+05 ppm1      4.563 ppm2      8.660

ASSI {1148}   (( resid 118  and name  HA  ))   (  resid 127  and name  HG2#) 3.06 1.36 4.63 peak 10744 weight  1.00000E+00 volume  2.21532E+06 ppm1      1.009 ppm2      3.964 !3

ASSI {1149}   (  resid 118  and name  HD1#)   (( resid 169  and name  HA  )) 4.329 2.529 2.529 peak 11092 weight  1.00000E+00 volume  1.24729E+05 ppm1      4.478 ppm2      0.646

ASSI {1150}   (( resid 172  and name  HA  ))   (( resid 118  and name  HG11)) 3.389 1.589 1.589 peak 13609 weight  1.00000E+00 volume  2.93803E+05 ppm1      1.045 ppm2      4.557

ASSI {1151}   (( resid 172  and name  HA  ))   (( resid 118  and name  HG12)) 3.217 1.417 1.417 peak 13610 weight  1.00000E+00 volume  4.40415E+05 ppm1      1.531 ppm2      4.566

ASSI {1152}   (( resid 118  and name  HG11))   (( resid 171  and name  HA  )) 3.058 1.358 3.198 peak 13611 weight  1.00000E+00 volume  7.30284E+05 ppm1      1.043 ppm2      4.750 !2

ASSI {1153}   (( resid 118  and name  HG12))   (( resid 171  and name  HA  )) 3.141 1.441 2.891 peak 13612 weight  1.00000E+00 volume  5.28584E+05 ppm1      1.524 ppm2      4.755 !2

ASSI {1154}   (( resid 118  and name  HG12))   (( resid 118  and name  HN  )) 3.257 1.457 1.457 peak 13620 weight  1.00000E+00 volume  3.91619E+05 ppm1      1.525 ppm2      8.673

ASSI {1155}   (( resid 118  and name  HG11))   (( resid 118  and name  HN  )) 3.454 1.654 1.654 peak 13621 weight  1.00000E+00 volume  2.37141E+05 ppm1      1.055 ppm2      8.675

ASSI {1156}   (( resid 172  and name  HA  ))   (( resid 118  and name  HB  )) 3.742 1.942 1.942 peak 14293 weight  1.00000E+00 volume  1.31218E+05 ppm1      1.791 ppm2      4.563

ASSI {1157}   (( resid 118  and name  HB  ))   (( resid 120  and name  HN  )) 3.667 1.867 1.867 peak 14301 weight  1.00000E+00 volume  1.55426E+05 ppm1      1.797 ppm2      7.683

ASSI {1158}   (( resid 143  and name  HD2 ))   (( resid 118  and name  HN  )) 3.419 1.719 5.129 peak 16365 weight  1.00000E+00 volume  2.78830E+05 ppm1      3.619 ppm2      8.685 !4

ASSI {1159}   (  resid 118  and name  HD1#)   (( resid 119  and name  HA  )) 4.287 2.487 2.487 peak 16434 weight  1.00000E+00 volume  1.41806E+05 ppm1      4.256 ppm2      0.647

ASSI {1160}   (  resid 118  and name  HD1#)   (( resid 98   and name  HA  )) 3.107 1.407 2.817 peak 17750 weight  1.00000E+00 volume  1.92232E+06 ppm1      0.639 ppm2      4.745 !1

ASSI {1161}   (  resid 118  and name  HD1#)   (( resid 173  and name  HA  )) 4.397 2.597 2.597 peak 17753 weight  1.00000E+00 volume  1.17188E+05 ppm1      0.640 ppm2      6.370

ASSI {1162}   (  resid 118  and name  HD1#)   (( resid 120  and name  HN  )) 3.841 2.141 3.001 peak 17757 weight  1.00000E+00 volume  3.47871E+05 ppm1      0.640 ppm2      7.674 !1

ASSI {1163}   (( resid 125  and name  HA  ))   (( resid 118  and name  HG12)) 3.122 1.422 5.012 peak 19274 weight  1.00000E+00 volume  5.70814E+05 ppm1      4.384 ppm2      1.522 !2

ASSI {1164}   (( resid 125  and name  HA  ))   (  resid 118  and name  HG2#) 3.641 1.841 1.841 peak 19275 weight  1.00000E+00 volume  4.79320E+05 ppm1      4.390 ppm2      1.018

ASSI {1165}   (( resid 125  and name  HA  ))   (  resid 118  and name  HD1#) 3.867 2.167 2.507 peak 19276 weight  1.00000E+00 volume  3.11142E+05 ppm1      4.390 ppm2      0.654 !1

ASSI {1166}   (( resid 118  and name  HA  ))   (( resid 171  and name  HA  )) 3.298 1.598 2.888 peak 20937 weight  1.00000E+00 volume  3.35352E+05 ppm1      3.969 ppm2      4.765 !2

ASSI {1167}   (( resid 122  and name  HB1 ))   (( resid 118  and name  HA  )) 3.284 1.584 2.114 peak 20938 weight  1.00000E+00 volume  3.76870E+05 ppm1      3.968 ppm2      2.782 !1

ASSI {1168}   (( resid 118  and name  HA  ))   (( resid 119  and name  HB1 )) 3.321 1.621 2.381 peak 20941 weight  1.00000E+00 volume  3.25888E+05 ppm1      3.974 ppm2      2.099 !1

ASSI {1169}   (( resid 118  and name  HB  ))   (( resid 118  and name  HA  )) 2.878 1.078 1.078 peak 20943 weight  1.00000E+00 volume  1.14525E+06 ppm1      3.970 ppm2      1.777

ASSI {1170}   (( resid 118  and name  HA  ))   (( resid 121  and name  HG2 )) 3.473 1.673 1.673 peak 20946 weight  1.00000E+00 volume  2.43498E+05 ppm1      3.975 ppm2      1.190

ASSI {1171}   (( resid 127  and name  HG11))   (( resid 118  and name  HA  )) 3.114 1.414 3.763 peak 20948 weight  1.00000E+00 volume  6.01864E+05 ppm1      3.964 ppm2      0.848 !3

ASSI {1172}   (( resid 118  and name  HA  ))   (  resid 118  and name  HD1#) 3.6 1.8 1.8 peak 20949 weight  1.00000E+00 volume  5.61331E+05 ppm1      3.970 ppm2      0.651

ASSI {1173}   (( resid 118  and name  HA  ))   (  resid 98   and name  HD1#) 4.105 2.305 2.305 peak 20950 weight  1.00000E+00 volume  1.94354E+05 ppm1      3.975 ppm2      0.310

ASSI {1174}   (( resid 118  and name  HA  ))   (  resid 122  and name  HD# ) 3.133 1.333 1.333 peak 20951 weight  1.00000E+00 volume  1.14449E+06 ppm1      3.969 ppm2      6.574

ASSI {1175}   (( resid 124  and name  HN  ))   (( resid 118  and name  HA  )) 3.388 1.688 2.087 peak 20952 weight  1.00000E+00 volume  2.88597E+05 ppm1      3.959 ppm2      6.931 !1

ASSI {1176}   (( resid 118  and name  HA  ))   (( resid 122  and name  HN  )) 3.503 1.703 1.703 peak 20954 weight  1.00000E+00 volume  2.11751E+05 ppm1      3.972 ppm2      7.831

ASSI {1177}   (( resid 118  and name  HA  ))   (( resid 118  and name  HN  )) 3.403 1.603 1.603 peak 20956 weight  1.00000E+00 volume  2.85577E+05 ppm1      3.975 ppm2      8.670

ASSI {1178}   (( resid 118  and name  HB  ))   (( resid 171  and name  HA  )) 3.03 1.231 1.231 peak 22072 weight  1.00000E+00 volume  7.49043E+05 ppm1      1.792 ppm2      4.742

ASSI {1179}   (( resid 124  and name  HN  ))   (( resid 118  and name  HB  )) 3.751 2.051 2.511 peak 22076 weight  1.00000E+00 volume  1.21680E+05 ppm1      1.791 ppm2      6.915 !1

ASSI {1180}   (  resid 118  and name  HD1#)   (( resid 170  and name  HA  )) 3.901 2.201 2.621 peak 22627 weight  1.00000E+00 volume  2.70630E+05 ppm1      4.465 ppm2      0.664 !1

ASSI {1181}   (( resid 119  and name  HG1 ))   (( resid 122  and name  HA  )) 2.672 0.972 6.512 peak 10693 weight  1.00000E+00 volume  2.28589E+06 ppm1      4.373 ppm2      2.400 !3

ASSI {1182}   (( resid 125  and name  HA  ))   (  resid 119  and name  HE# ) 3.152 1.352 1.352 peak 14104 weight  1.00000E+00 volume  1.82600E+06 ppm1      1.949 ppm2      4.383

ASSI {1183}   (( resid 119  and name  HA  ))   (  resid 119  and name  HE# ) 3.371 1.571 1.571 peak 14105 weight  1.00000E+00 volume  1.05945E+06 ppm1      1.949 ppm2      4.255

ASSI {1184}   (( resid 124  and name  HN  ))   (  resid 119  and name  HE# ) 3.784 2.084 2.494 peak 14107 weight  1.00000E+00 volume  3.83431E+05 ppm1      1.944 ppm2      6.919 !1

ASSI {1185}   (( resid 120  and name  HB1 ))   (( resid 119  and name  HA  )) 3.553 1.853 2.263 peak 15535 weight  1.00000E+00 volume  2.01281E+05 ppm1      1.955 ppm2      4.267 !1

ASSI {1186}   (( resid 119  and name  HB2 ))   (( resid 120  and name  HA  )) 2.918 1.218 3.679 peak 15959 weight  1.00000E+00 volume  1.02076E+06 ppm1      1.921 ppm2      3.893 !3

ASSI {1187}   (( resid 119  and name  HB1 ))   (( resid 120  and name  HN  )) 3.458 1.659 1.659 peak 15968 weight  1.00000E+00 volume  2.42793E+05 ppm1      2.110 ppm2      7.672

ASSI {1188}   (( resid 119  and name  HN  ))   (( resid 119  and name  HB1 )) 3.043 1.243 1.243 peak 15971 weight  1.00000E+00 volume  7.16589E+05 ppm1      2.102 ppm2      8.945

ASSI {1189}   (( resid 124  and name  HG1 ))   (( resid 119  and name  HA  )) 3.172 1.472 2.882 peak 16424 weight  1.00000E+00 volume  5.21283E+05 ppm1      4.261 ppm2      2.601 !2

ASSI {1190}   (( resid 119  and name  HB1 ))   (( resid 119  and name  HA  )) 2.782 0.982 0.982 peak 16427 weight  1.00000E+00 volume  1.62587E+06 ppm1      4.258 ppm2      2.110

ASSI {1191}   (( resid 171  and name  HB1 ))   (( resid 119  and name  HA  )) 3.585 1.885 5.794 peak 16431 weight  1.00000E+00 volume  1.79425E+05 ppm1      4.261 ppm2      1.460 !3

ASSI {1192}   (( resid 127  and name  HG11))   (( resid 119  and name  HA  )) 3.78 2.08 5.231 peak 16433 weight  1.00000E+00 volume  1.21045E+05 ppm1      4.251 ppm2      0.842 !3

ASSI {1193}   (( resid 119  and name  HA  ))   (( resid 123  and name  HA  )) 2.781 0.9815 0.9815 peak 16435 weight  1.00000E+00 volume  1.61238E+06 ppm1      4.258 ppm2      4.822

ASSI {1194}   (( resid 119  and name  HG2 ))   (( resid 119  and name  HA  )) 3.157 1.357 1.357 peak 17719 weight  1.00000E+00 volume  5.34126E+05 ppm1      2.650 ppm2      4.243

ASSI {1195}   (( resid 125  and name  HA  ))   (( resid 119  and name  HG2 )) 3.432 1.732 2.292 peak 17720 weight  1.00000E+00 volume  2.63147E+05 ppm1      2.648 ppm2      4.393 !1

ASSI {1196}   (( resid 119  and name  HG1 ))   (( resid 119  and name  HA  )) 3.05 1.25 1.25 peak 17721 weight  1.00000E+00 volume  6.84420E+05 ppm1      2.414 ppm2      4.255

ASSI {1197}   (( resid 119  and name  HN  ))   (( resid 119  and name  HG2 )) 3.416 1.616 1.616 peak 17726 weight  1.00000E+00 volume  2.84719E+05 ppm1      2.645 ppm2      8.956

ASSI {1198}   (( resid 125  and name  HA  ))   (( resid 119  and name  HA  )) 2.711 1.011 1.551 peak 19268 weight  1.00000E+00 volume  2.05995E+06 ppm1      4.384 ppm2      4.253 !1

ASSI {1199}   (( resid 119  and name  HB1 ))   (( resid 121  and name  HA  )) 3.192 1.492 4.833 peak 22648 weight  1.00000E+00 volume  4.69601E+05 ppm1      2.117 ppm2      3.854 !1

ASSI {1200}   (( resid 119  and name  HB2 ))   (( resid 119  and name  HA  )) 2.801 1.002 1.002 peak 22649 weight  1.00000E+00 volume  1.42732E+06 ppm1      1.914 ppm2      4.241

ASSI {1201}   (( resid 120  and name  HG2 ))   (( resid 120  and name  HA  )) 2.598 0.898 1.818 peak 10612 weight  1.00000E+00 volume  3.00203E+06 ppm1      2.263 ppm2      3.894 !1

ASSI {1202}   (( resid 120  and name  HG2 ))   (( resid 120  and name  HN  )) 3.022 1.322 1.722 peak 10622 weight  1.00000E+00 volume  7.78713E+05 ppm1      2.264 ppm2      7.658 !1

ASSI {1203}   (( resid 121  and name  HB2 ))   (( resid 120  and name  HA  )) 3.663 1.963 2.853 peak 13519 weight  1.00000E+00 volume  1.43031E+05 ppm1      3.886 ppm2      0.898 !1

ASSI {1204}   (( resid 120  and name  HA  ))   (( resid 120  and name  HN  )) 3.039 1.239 1.239 peak 13524 weight  1.00000E+00 volume  6.96044E+05 ppm1      3.880 ppm2      7.669

ASSI {1205}   (( resid 120  and name  HB1 ))   (( resid 123  and name  HA  )) 3.433 1.733 3.883 peak 15536 weight  1.00000E+00 volume  2.49217E+05 ppm1      1.955 ppm2      4.822 !3

ASSI {1206}   (( resid 120  and name  HB2 ))   (( resid 123  and name  HA  )) 3.375 1.675 3.055 peak 15537 weight  1.00000E+00 volume  2.90496E+05 ppm1      1.850 ppm2      4.821 !2

ASSI {1207}   (( resid 120  and name  HB2 ))   (( resid 121  and name  HN  )) 3.316 1.515 1.515 peak 15538 weight  1.00000E+00 volume  3.29182E+05 ppm1      1.846 ppm2      7.296

ASSI {1208}   (( resid 120  and name  HB1 ))   (( resid 121  and name  HN  )) 3.333 1.533 1.533 peak 15539 weight  1.00000E+00 volume  3.15670E+05 ppm1      1.955 ppm2      7.287

ASSI {1209}   (( resid 120  and name  HN  ))   (( resid 120  and name  HB2 )) 3.006 1.206 1.206 peak 15541 weight  1.00000E+00 volume  7.96048E+05 ppm1      1.850 ppm2      7.671

ASSI {1210}   (( resid 120  and name  HG2 ))   (( resid 121  and name  HN  )) 3.07 1.27 1.27 peak 21047 weight  1.00000E+00 volume  6.94601E+05 ppm1      2.262 ppm2      7.271

ASSI {1211}   (( resid 120  and name  HA  ))   (( resid 120  and name  HB1 )) 2.639 0.839 0.839 peak 22530 weight  1.00000E+00 volume  2.48191E+06 ppm1      1.942 ppm2      3.899

ASSI {1212}   (( resid 120  and name  HG1 ))   (( resid 121  and name  HA  )) 3.408 1.608 1.608 peak 23970 weight  1.00000E+00 volume  2.34129E+05 ppm1      3.861 ppm2      2.216

ASSI {1213}   (( resid 121  and name  HG2 ))   (( resid 122  and name  HA  )) 3.508 1.808 2.248 peak 12994 weight  1.00000E+00 volume  2.23929E+05 ppm1      1.172 ppm2      4.370 !1

ASSI {1214}   (( resid 121  and name  HG1 ))   (( resid 122  and name  HA  )) 3.659 1.859 1.859 peak 12995 weight  1.00000E+00 volume  1.54151E+05 ppm1      1.537 ppm2      4.374

ASSI {1215}   (( resid 122  and name  HN  ))   (( resid 121  and name  HG2 )) 3.545 1.745 1.745 peak 13007 weight  1.00000E+00 volume  2.00049E+05 ppm1      1.175 ppm2      7.840

ASSI {1216}   (( resid 121  and name  HB1 ))   (( resid 121  and name  HA  )) 2.622 0.822 0.822 peak 20692 weight  1.00000E+00 volume  2.75818E+06 ppm1      1.522 ppm2      3.853

ASSI {1217}   (( resid 121  and name  HB1 ))   (( resid 123  and name  HA  )) 3.372 1.672 4.562 peak 20698 weight  1.00000E+00 volume  2.91428E+05 ppm1      1.528 ppm2      4.803 !3

ASSI {1218}   (( resid 121  and name  HB2 ))   (( resid 122  and name  HN  )) 3.345 1.544 1.544 peak 20706 weight  1.00000E+00 volume  3.15916E+05 ppm1      0.877 ppm2      7.827

ASSI {1219}   (( resid 121  and name  HG1 ))   (( resid 121  and name  HA  )) 2.642 0.842 0.842 peak 21727 weight  1.00000E+00 volume  2.56932E+06 ppm1      1.531 ppm2      3.854

ASSI {1220}   (( resid 121  and name  HG2 ))   (( resid 121  and name  HA  )) 2.798 1.098 1.658 peak 21728 weight  1.00000E+00 volume  1.54774E+06 ppm1      1.169 ppm2      3.853 !1

ASSI {1221}   (( resid 121  and name  HB2 ))   (( resid 121  and name  HA  )) 2.695 0.8945 0.8945 peak 23973 weight  1.00000E+00 volume  2.15161E+06 ppm1      3.858 ppm2      0.884

ASSI {1222}   (( resid 122  and name  HA  ))   (  resid 122  and name  HE# ) 3.328 1.528 1.528 peak 10714 weight  1.00000E+00 volume  6.57576E+05 ppm1      4.370 ppm2      7.336

ASSI {1223}   (( resid 122  and name  HB1 ))   (( resid 122  and name  HN  )) 3.824 2.024 2.024 peak 20598 weight  1.00000E+00 volume  1.01475E+05 ppm1      2.787 ppm2      7.838

ASSI {1224}   (  resid 123  and name  HB# )   (( resid 123  and name  HA  )) 2.583 0.7825 0.7825 peak 22027 weight  1.00000E+00 volume  3.16085E+06 ppm1      3.465 ppm2      4.827

ASSI {1225}   (  resid 124  and name  HE# )   (( resid 124  and name  HA  )) 3.117 1.317 1.317 peak 11707 weight  1.00000E+00 volume  1.93539E+06 ppm1      2.022 ppm2      4.785

ASSI {1226}   (  resid 124  and name  HE# )   (( resid 99   and name  HA  )) 3.216 1.416 1.416 peak 11708 weight  1.00000E+00 volume  1.50227E+06 ppm1      2.024 ppm2      5.484

ASSI {1227}   (  resid 124  and name  HE# )   (( resid 127  and name  HN  )) 3.315 1.615 2.975 peak 11711 weight  1.00000E+00 volume  1.16400E+06 ppm1      2.024 ppm2      8.122 !2

ASSI {1228}   (( resid 124  and name  HB1 ))   (( resid 127  and name  HA  )) 3.573 1.773 1.773 peak 13795 weight  1.00000E+00 volume  1.83579E+05 ppm1      2.194 ppm2      4.413

ASSI {1229}   (( resid 124  and name  HB2 ))   (( resid 127  and name  HA  )) 3.5 1.8 2.37 peak 13797 weight  1.00000E+00 volume  2.24803E+05 ppm1      1.715 ppm2      4.421 !1

ASSI {1230}   (( resid 124  and name  HB2 ))   (( resid 126  and name  HN  )) 3.466 1.666 1.666 peak 13805 weight  1.00000E+00 volume  2.33108E+05 ppm1      1.715 ppm2      7.607

ASSI {1231}   (( resid 124  and name  HB1 ))   (( resid 126  and name  HN  )) 3.327 1.527 1.527 peak 13806 weight  1.00000E+00 volume  3.30604E+05 ppm1      2.197 ppm2      7.610

ASSI {1232}   (( resid 125  and name  HN  ))   (( resid 124  and name  HB2 )) 3.449 1.649 1.649 peak 13807 weight  1.00000E+00 volume  2.43520E+05 ppm1      1.710 ppm2      8.869

ASSI {1233}   (( resid 125  and name  HN  ))   (( resid 124  and name  HB1 )) 3.294 1.494 1.494 peak 13808 weight  1.00000E+00 volume  3.56526E+05 ppm1      2.193 ppm2      8.877

ASSI {1234}   (  resid 124  and name  HE# )   (( resid 127  and name  HA  )) 3.45 1.651 1.651 peak 16370 weight  1.00000E+00 volume  7.91816E+05 ppm1      4.418 ppm2      2.023

ASSI {1235}   (  resid 125  and name  HG# )   (( resid 124  and name  HA  )) 2.986 1.186 1.186 peak 16550 weight  1.00000E+00 volume  8.22475E+05 ppm1      1.705 ppm2      4.788

ASSI {1236}   (( resid 125  and name  HA  ))   (( resid 124  and name  HN  )) 3.259 1.559 3.009 peak 19283 weight  1.00000E+00 volume  3.83242E+05 ppm1      4.386 ppm2      6.922 !2

ASSI {1237}   (( resid 125  and name  HA  ))   (( resid 124  and name  HG2 )) 3.318 1.618 3.108 peak 19912 weight  1.00000E+00 volume  3.34073E+05 ppm1      2.562 ppm2      4.392 !1

ASSI {1238}   (( resid 126  and name  HN  ))   (( resid 124  and name  HG2 )) 3.551 1.851 2.262 peak 19918 weight  1.00000E+00 volume  1.91777E+05 ppm1      2.561 ppm2      7.597 !1

ASSI {1239}   (( resid 125  and name  HN  ))   (( resid 124  and name  HG2 )) 3.324 1.524 1.524 peak 19919 weight  1.00000E+00 volume  3.28029E+05 ppm1      2.557 ppm2      8.880

ASSI {1240}   (( resid 171  and name  HG2 ))   (( resid 125  and name  HA  )) 2.871 1.171 4.861 peak 12450 weight  1.00000E+00 volume  1.15977E+06 ppm1      2.340 ppm2      4.392 !4

ASSI {1241}   (( resid 125  and name  HA  ))   (( resid 125  and name  HB1 )) 2.746 0.946 0.946 peak 14383 weight  1.00000E+00 volume  1.80278E+06 ppm1      1.842 ppm2      4.388

ASSI {1242}   (( resid 125  and name  HA  ))   (( resid 125  and name  HB2 )) 2.754 0.954 0.954 peak 14384 weight  1.00000E+00 volume  1.71426E+06 ppm1      1.924 ppm2      4.388

ASSI {1243}   (( resid 126  and name  HA  ))   (( resid 125  and name  HB2 )) 3.279 1.478 1.478 peak 14387 weight  1.00000E+00 volume  3.66264E+05 ppm1      1.920 ppm2      4.920

ASSI {1244}   (( resid 126  and name  HA  ))   (( resid 125  and name  HB1 )) 3.377 1.677 2.487 peak 14388 weight  1.00000E+00 volume  2.81558E+05 ppm1      1.851 ppm2      4.922 !1

ASSI {1245}   (( resid 125  and name  HB1 ))   (( resid 126  and name  HN  )) 3.295 1.495 1.495 peak 14391 weight  1.00000E+00 volume  3.60539E+05 ppm1      1.850 ppm2      7.611

ASSI {1246}   (( resid 125  and name  HN  ))   (( resid 125  and name  HB1 )) 3.093 1.293 1.293 peak 14394 weight  1.00000E+00 volume  5.88780E+05 ppm1      1.845 ppm2      8.870

ASSI {1247}   (( resid 125  and name  HA  ))   (  resid 125  and name  HD# ) 2.912 1.212 1.762 peak 16252 weight  1.00000E+00 volume  1.12744E+06 ppm1      3.235 ppm2      4.383 !1

ASSI {1248}   (( resid 125  and name  HA  ))   (  resid 125  and name  HG# ) 2.607 0.807 0.807 peak 16547 weight  1.00000E+00 volume  2.89831E+06 ppm1      1.709 ppm2      4.389

ASSI {1249}   (  resid 125  and name  HG# )   (( resid 126  and name  HN  )) 3.171 1.371 1.371 peak 16552 weight  1.00000E+00 volume  5.00411E+05 ppm1      1.708 ppm2      7.614

ASSI {1250}   (( resid 125  and name  HN  ))   (  resid 125  and name  HG# ) 2.95 1.15 1.15 peak 16555 weight  1.00000E+00 volume  9.23597E+05 ppm1      1.702 ppm2      8.873

ASSI {1251}   (( resid 125  and name  HA  ))   (( resid 125  and name  HE  )) 3.257 1.457 1.457 peak 19285 weight  1.00000E+00 volume  3.69419E+05 ppm1      4.387 ppm2      7.270

ASSI {1252}   (( resid 125  and name  HA  ))   (( resid 171  and name  HE21)) 2.983 1.283 1.753 peak 19287 weight  1.00000E+00 volume  8.31113E+05 ppm1      4.386 ppm2      7.712 !1

ASSI {1253}   (  resid 127  and name  HG2#)   (( resid 126  and name  HN  )) 3.675 1.975 3.094 peak 10763 weight  1.00000E+00 volume  4.94034E+05 ppm1      1.007 ppm2      7.613 !2

ASSI {1254}   (( resid 169  and name  HA  ))   (( resid 126  and name  HB2 )) 3.231 1.431 1.431 peak 11085 weight  1.00000E+00 volume  4.09695E+05 ppm1      4.485 ppm2      2.121

ASSI {1255}   (( resid 169  and name  HA  ))   (( resid 126  and name  HB1 )) 3.266 1.466 1.466 peak 11086 weight  1.00000E+00 volume  3.85274E+05 ppm1      4.483 ppm2      1.999

ASSI {1256}   (  resid 126  and name  HG# )   (( resid 168  and name  HA  )) 3.439 1.739 3.949 peak 15772 weight  1.00000E+00 volume  2.57730E+05 ppm1      4.591 ppm2      2.193 !3

ASSI {1257}   (( resid 168  and name  HA  ))   (( resid 126  and name  HB1 )) 3.266 1.566 2.806 peak 15773 weight  1.00000E+00 volume  3.91616E+05 ppm1      4.594 ppm2      2.002 !2

ASSI {1258}   (( resid 168  and name  HA  ))   (( resid 126  and name  HA  )) 3.279 1.579 2.699 peak 15782 weight  1.00000E+00 volume  3.84412E+05 ppm1      4.598 ppm2      4.902 !2

ASSI {1259}   (( resid 127  and name  HA  ))   (( resid 126  and name  HA  )) 3.59 1.79 1.79 peak 16381 weight  1.00000E+00 volume  1.84485E+05 ppm1      4.423 ppm2      4.916

ASSI {1260}   (( resid 126  and name  HA  ))   (( resid 127  and name  HB  )) 3.612 1.812 1.812 peak 17559 weight  1.00000E+00 volume  1.72964E+05 ppm1      1.495 ppm2      4.903

ASSI {1261}   (( resid 126  and name  HA  ))   (  resid 127  and name  HG2#) 3.395 1.695 2.855 peak 18190 weight  1.00000E+00 volume  9.04434E+05 ppm1      1.006 ppm2      4.904 !2

ASSI {1262}   (( resid 127  and name  HG12))   (( resid 126  and name  HA  )) 3.252 1.552 2.152 peak 18297 weight  1.00000E+00 volume  4.12344E+05 ppm1      4.909 ppm2      1.280 !1

ASSI {1263}   (  resid 127  and name  HD1#)   (( resid 126  and name  HA  )) 4.21 2.409 2.409 peak 18302 weight  1.00000E+00 volume  1.52416E+05 ppm1      4.912 ppm2      0.335

ASSI {1264}   (( resid 126  and name  HA  ))   (( resid 128  and name  HE1 )) 3.247 1.446 1.446 peak 18306 weight  1.00000E+00 volume  3.79784E+05 ppm1      4.917 ppm2      8.594

ASSI {1265}   (( resid 126  and name  HN  ))   (( resid 126  and name  HB2 )) 3.454 1.654 1.654 peak 19564 weight  1.00000E+00 volume  2.37720E+05 ppm1      2.114 ppm2      7.601

ASSI {1266}   (( resid 126  and name  HN  ))   (( resid 126  and name  HB1 )) 3.716 1.917 1.917 peak 19565 weight  1.00000E+00 volume  1.35185E+05 ppm1      1.989 ppm2      7.608

ASSI {1267}   (( resid 126  and name  HA  ))   (( resid 169  and name  HA  )) 2.684 0.884 0.884 peak 23423 weight  1.00000E+00 volume  2.08288E+06 ppm1      4.917 ppm2      4.497

ASSI {1268}   (  resid 127  and name  HG2#)   (( resid 129  and name  HN  )) 3.129 1.329 1.329 peak 10765 weight  1.00000E+00 volume  1.65361E+06 ppm1      1.004 ppm2      8.010

ASSI {1269}   (( resid 127  and name  HG12))   (( resid 170  and name  HN  )) 3.3 1.5 1.5 peak 11412 weight  1.00000E+00 volume  3.65458E+05 ppm1      1.291 ppm2      7.300

ASSI {1270}   (( resid 127  and name  HG12))   (( resid 127  and name  HN  )) 3.444 1.643 1.643 peak 11413 weight  1.00000E+00 volume  2.49946E+05 ppm1      1.285 ppm2      8.123

ASSI {1271}   (( resid 127  and name  HG11))   (( resid 160  and name  HA  )) 3.075 1.375 5.765 peak 12492 weight  1.00000E+00 volume  6.67875E+05 ppm1      1.063 ppm2      0.839 !2

ASSI {1272}   (( resid 127  and name  HG12))   (( resid 160  and name  HA  )) 3.27 1.57 5.11 peak 12494 weight  1.00000E+00 volume  4.12657E+05 ppm1      1.053 ppm2      1.289 !2

ASSI {1273}   (( resid 127  and name  HA  ))   (( resid 168  and name  HA  )) 3.272 1.572 2.452 peak 15764 weight  1.00000E+00 volume  3.66453E+05 ppm1      4.598 ppm2      4.407 !1

ASSI {1274}   (( resid 170  and name  HA  ))   (( resid 127  and name  HN  )) 3.542 1.842 2.932 peak 15866 weight  1.00000E+00 volume  2.04243E+05 ppm1      4.480 ppm2      8.115 !2

ASSI {1275}   (( resid 127  and name  HA  ))   (( resid 128  and name  HB2 )) 3.604 1.804 1.804 peak 16366 weight  1.00000E+00 volume  1.70125E+05 ppm1      4.416 ppm2      3.150

ASSI {1276}   (( resid 127  and name  HA  ))   (( resid 128  and name  HB1 )) 3.428 1.728 2.408 peak 16367 weight  1.00000E+00 volume  2.52946E+05 ppm1      4.423 ppm2      2.424 !1

ASSI {1277}   (( resid 168  and name  HB1 ))   (( resid 127  and name  HA  )) 3.034 1.334 2.344 peak 16375 weight  1.00000E+00 volume  6.84627E+05 ppm1      4.419 ppm2      1.223 !1

ASSI {1278}   (( resid 127  and name  HA  ))   (  resid 139  and name  HE# ) 4.091 2.292 2.292 peak 16383 weight  1.00000E+00 volume  1.38769E+05 ppm1      4.424 ppm2      5.473

ASSI {1279}   (( resid 127  and name  HA  ))   (( resid 128  and name  HD2 )) 3.448 1.748 2.828 peak 16384 weight  1.00000E+00 volume  2.55776E+05 ppm1      4.415 ppm2      7.254 !1

ASSI {1280}   (( resid 127  and name  HA  ))   (( resid 127  and name  HN  )) 3.111 1.311 1.311 peak 16386 weight  1.00000E+00 volume  5.52644E+05 ppm1      4.416 ppm2      8.137

ASSI {1281}   (( resid 127  and name  HB  ))   (( resid 129  and name  HN  )) 3.402 1.603 1.603 peak 17565 weight  1.00000E+00 volume  2.70680E+05 ppm1      1.492 ppm2      7.997

ASSI {1282}   (( resid 127  and name  HB  ))   (( resid 99   and name  HN  )) 3.339 1.639 2.919 peak 17566 weight  1.00000E+00 volume  3.21759E+05 ppm1      1.496 ppm2      8.108 !1

ASSI {1283}   (( resid 127  and name  HA  ))   (  resid 127  and name  HG2#) 2.96 1.16 1.16 peak 18187 weight  1.00000E+00 volume  2.85924E+06 ppm1      1.008 ppm2      4.405

ASSI {1284}   (( resid 168  and name  HA  ))   (  resid 127  and name  HG2#) 3.4 1.6 1.6 peak 18189 weight  1.00000E+00 volume  9.17988E+05 ppm1      1.011 ppm2      4.584

ASSI {1285}   (( resid 168  and name  HB2 ))   (( resid 127  and name  HA  )) 3.373 1.573 1.573 peak 18331 weight  1.00000E+00 volume  3.03601E+05 ppm1      1.665 ppm2      4.414

ASSI {1286}   (( resid 168  and name  HB1 ))   (( resid 127  and name  HN  )) 3.707 1.907 1.907 peak 18347 weight  1.00000E+00 volume  1.24783E+05 ppm1      1.218 ppm2      8.131

ASSI {1287}   (( resid 168  and name  HB2 ))   (( resid 127  and name  HN  )) 3.386 1.586 1.586 peak 18348 weight  1.00000E+00 volume  2.82475E+05 ppm1      1.674 ppm2      8.118

ASSI {1288}   (( resid 160  and name  HD1 ))   (( resid 127  and name  HN  )) 4.019 2.319 4.92 peak 18524 weight  1.00000E+00 volume  7.83813E+04 ppm1      3.425 ppm2      8.133 !3

ASSI {1289}   (  resid 127  and name  HD1#)   (( resid 99   and name  HA  )) 4.42 2.62 2.62 peak 20235 weight  1.00000E+00 volume  1.10717E+05 ppm1      5.508 ppm2      0.344

ASSI {1290}   (  resid 127  and name  HD1#)   (( resid 127  and name  HA  )) 3.315 1.515 1.515 peak 20920 weight  1.00000E+00 volume  1.09414E+06 ppm1      0.346 ppm2      4.410

ASSI {1291}   (  resid 127  and name  HD1#)   (( resid 168  and name  HA  )) 4.058 2.258 2.258 peak 20921 weight  1.00000E+00 volume  2.18959E+05 ppm1      0.347 ppm2      4.599

ASSI {1292}   (( resid 168  and name  HA  ))   (( resid 127  and name  HN  )) 3.612 1.812 1.812 peak 22603 weight  1.00000E+00 volume  1.64442E+05 ppm1      4.597 ppm2      8.104

ASSI {1293}   (( resid 127  and name  HA  ))   (( resid 98   and name  HA  )) 3.498 1.798 2.549 peak 22795 weight  1.00000E+00 volume  2.39799E+05 ppm1      4.426 ppm2      4.765 !1

ASSI {1294}   (  resid 127  and name  HG2#)   (( resid 130  and name  HA  )) 4.165 2.365 2.365 peak 23377 weight  1.00000E+00 volume  1.77813E+05 ppm1      0.998 ppm2      5.806

ASSI {1295}   (( resid 128  and name  HA  ))   (( resid 160  and name  HA  )) 3.692 1.893 1.893 peak 12503 weight  1.00000E+00 volume  1.44834E+05 ppm1      1.057 ppm2      4.727

ASSI {1296}   (( resid 128  and name  HA  ))   (( resid 160  and name  HB2 )) 3.823 2.023 2.023 peak 12745 weight  1.00000E+00 volume  1.10730E+05 ppm1      1.022 ppm2      4.730

ASSI {1297}   (( resid 159  and name  HA  ))   (( resid 128  and name  HB1 )) 3.559 1.759 1.759 peak 13232 weight  1.00000E+00 volume  1.94261E+05 ppm1      2.447 ppm2      5.262

ASSI {1298}   (( resid 159  and name  HA  ))   (( resid 128  and name  HB2 )) 3.824 2.024 2.024 peak 13233 weight  1.00000E+00 volume  1.08185E+05 ppm1      3.144 ppm2      5.275

ASSI {1299}   (( resid 128  and name  HA  ))   (( resid 160  and name  HG2 )) 3.113 1.413 2.543 peak 13259 weight  1.00000E+00 volume  5.72180E+05 ppm1      1.743 ppm2      4.749 !2

ASSI {1300}   (( resid 128  and name  HA  ))   (( resid 168  and name  HA  )) 3.176 1.376 1.376 peak 15763 weight  1.00000E+00 volume  5.29285E+05 ppm1      4.595 ppm2      4.725

ASSI {1301}   (( resid 129  and name  HA  ))   (( resid 128  and name  HB1 )) 3.681 1.881 1.881 peak 18358 weight  1.00000E+00 volume  1.48380E+05 ppm1      4.631 ppm2      2.430

ASSI {1302}   (( resid 160  and name  HD1 ))   (( resid 128  and name  HA  )) 3.333 1.534 1.534 peak 18511 weight  1.00000E+00 volume  3.50458E+05 ppm1      3.409 ppm2      4.743

ASSI {1303}   (( resid 160  and name  HD2 ))   (( resid 128  and name  HA  )) 3.424 1.624 1.624 peak 18513 weight  1.00000E+00 volume  2.66869E+05 ppm1      4.090 ppm2      4.741

ASSI {1304}   (( resid 128  and name  HA  ))   (( resid 128  and name  HB1 )) 3.251 1.451 1.451 peak 20992 weight  1.00000E+00 volume  3.98671E+05 ppm1      4.732 ppm2      2.439

ASSI {1305}   (( resid 128  and name  HA  ))   (( resid 168  and name  HG2 )) 3.006 1.306 1.946 peak 20993 weight  1.00000E+00 volume  8.09050E+05 ppm1      4.726 ppm2      1.712 !1

ASSI {1306}   (( resid 128  and name  HA  ))   (( resid 168  and name  HD1 )) 3.225 1.525 2.725 peak 24305 weight  1.00000E+00 volume  4.35776E+05 ppm1      3.663 ppm2      4.727 !2

ASSI {1307}   (( resid 159  and name  HA  ))   (( resid 129  and name  HB2 )) 3.445 1.745 2.675 peak 14014 weight  1.00000E+00 volume  2.53888E+05 ppm1      5.274 ppm2      4.282 !2

ASSI {1308}   (( resid 159  and name  HA  ))   (( resid 129  and name  HB1 )) 3.217 1.517 3.377 peak 15056 weight  1.00000E+00 volume  4.23761E+05 ppm1      5.287 ppm2      4.491 !2

ASSI {1309}   (( resid 129  and name  HA  ))   (( resid 129  and name  HB2 )) 2.97 1.169 1.169 peak 18352 weight  1.00000E+00 volume  8.99856E+05 ppm1      4.626 ppm2      4.275

ASSI {1310}   (( resid 129  and name  HA  ))   (( resid 157  and name  HB1 )) 3.429 1.729 2.19 peak 18356 weight  1.00000E+00 volume  2.60428E+05 ppm1      4.635 ppm2      3.172 !1

ASSI {1311}   (( resid 129  and name  HA  ))   (( resid 130  and name  HN  )) 3.358 1.558 1.558 peak 18366 weight  1.00000E+00 volume  3.14542E+05 ppm1      4.630 ppm2      9.951

ASSI {1312}   (( resid 97   and name  HB1 ))   (( resid 130  and name  HA  )) 3.846 2.046 2.046 peak 12749 weight  1.00000E+00 volume  1.03017E+05 ppm1      1.497 ppm2      5.815

ASSI {1313}   (( resid 130  and name  HB2 ))   (( resid 131  and name  HA  )) 3.813 2.113 2.533 peak 13331 weight  1.00000E+00 volume  1.18718E+05 ppm1      3.042 ppm2      5.248 !1

ASSI {1314}   (( resid 130  and name  HB2 ))   (( resid 130  and name  HA  )) 2.865 1.065 1.065 peak 13334 weight  1.00000E+00 volume  1.25120E+06 ppm1      3.045 ppm2      5.801

ASSI {1315}   (( resid 130  and name  HA  ))   (( resid 98   and name  HA  )) 3.115 1.315 1.315 peak 13646 weight  1.00000E+00 volume  5.96638E+05 ppm1      5.810 ppm2      4.753

ASSI {1316}   (( resid 97   and name  HB2 ))   (( resid 130  and name  HA  )) 3.631 1.831 1.831 peak 13651 weight  1.00000E+00 volume  1.57760E+05 ppm1      5.819 ppm2      2.011

ASSI {1317}   (( resid 163  and name  HE3 ))   (( resid 130  and name  HA  )) 3.024 1.324 4.624 peak 13661 weight  1.00000E+00 volume  7.72460E+05 ppm1      5.813 ppm2      7.110 !3

ASSI {1318}   (( resid 130  and name  HN  ))   (( resid 158  and name  HA  )) 4.002 2.202 2.202 peak 19538 weight  1.00000E+00 volume  7.42993E+04 ppm1      3.381 ppm2      9.950

ASSI {1319}   (( resid 130  and name  HB1 ))   (( resid 130  and name  HA  )) 3.017 1.217 1.217 peak 19750 weight  1.00000E+00 volume  7.94638E+05 ppm1      2.818 ppm2      5.805

ASSI {1320}   (( resid 130  and name  HB1 ))   (( resid 130  and name  HN  )) 3.861 2.061 2.061 peak 19758 weight  1.00000E+00 volume  1.04546E+05 ppm1      2.813 ppm2      9.942

ASSI {1321}   (( resid 98   and name  HB  ))   (( resid 130  and name  HA  )) 3.774 1.974 1.974 peak 20986 weight  1.00000E+00 volume  1.20818E+05 ppm1      1.696 ppm2      5.807

ASSI {1322}   (( resid 130  and name  HB1 ))   (( resid 98   and name  HA  )) 3.192 1.392 1.392 peak 23881 weight  1.00000E+00 volume  4.88902E+05 ppm1      2.820 ppm2      4.762

ASSI {1323}   (( resid 130  and name  HB1 ))   (( resid 131  and name  HA  )) 4.083 2.283 2.283 peak 23882 weight  1.00000E+00 volume  6.48282E+04 ppm1      2.821 ppm2      5.266

ASSI {1324}   (( resid 99   and name  HA  ))   (( resid 130  and name  HA  )) 3.224 1.524 2.295 peak 24064 weight  1.00000E+00 volume  4.44174E+05 ppm1      5.490 ppm2      5.791 !1

ASSI {1325}   (( resid 132  and name  HA  ))   (( resid 131  and name  HB2 )) 3.44 1.74 2.17 peak 12226 weight  1.00000E+00 volume  2.38247E+05 ppm1      1.875 ppm2      4.141 !1

ASSI {1326}   (( resid 132  and name  HA  ))   (( resid 131  and name  HA  )) 3.059 1.359 2.36 peak 16274 weight  1.00000E+00 volume  7.15127E+05 ppm1      4.151 ppm2      5.236 !2

ASSI {1327}   (( resid 156  and name  HG1 ))   (( resid 131  and name  HA  )) 3.671 1.872 1.872 peak 18653 weight  1.00000E+00 volume  1.66667E+05 ppm1      2.445 ppm2      5.258

ASSI {1328}   (  resid 131  and name  HG# )   (( resid 157  and name  HA  )) 3.516 1.816 3.406 peak 23614 weight  1.00000E+00 volume  2.10779E+05 ppm1      1.532 ppm2      4.652 !2

ASSI {1329}   (( resid 132  and name  HA  ))   (( resid 95   and name  HD2 )) 3.2 1.5 4.611 peak 12541 weight  1.00000E+00 volume  4.19196E+05 ppm1      1.530 ppm2      4.159 !3

ASSI {1330}   (( resid 95   and name  HA  ))   (( resid 132  and name  HA  )) 3.606 1.906 4.216 peak 16273 weight  1.00000E+00 volume  1.64293E+05 ppm1      4.158 ppm2      5.017 !2

ASSI {1331}   (( resid 133  and name  HA  ))   (( resid 133  and name  HB2 )) 2.83 1.03 1.03 peak 12222 weight  1.00000E+00 volume  1.34959E+06 ppm1      4.162 ppm2      1.338

ASSI {1332}   (( resid 133  and name  HA  ))   (  resid 133  and name  HD# ) 2.83 1.03 1.03 peak 12223 weight  1.00000E+00 volume  4.11419E+06 ppm1      4.163 ppm2      0.737

ASSI {1333}   (( resid 133  and name  HB2 ))   (( resid 156  and name  HA  )) 3.686 1.986 2.486 peak 14219 weight  1.00000E+00 volume  1.53721E+05 ppm1      1.345 ppm2      3.957 !1

ASSI {1334}   (( resid 133  and name  HA  ))   (( resid 95   and name  HB1 )) 3.802 2.102 2.872 peak 15359 weight  1.00000E+00 volume  1.08919E+05 ppm1      1.556 ppm2      4.185 !1

ASSI {1335}   (  resid 133  and name  HD# )   (( resid 134  and name  HA  )) 3.474 1.674 1.674 peak 16111 weight  1.00000E+00 volume  6.93634E+05 ppm1      4.615 ppm2      0.754

ASSI {1336}   (  resid 133  and name  HD# )   (( resid 156  and name  HA  )) 3.974 2.174 2.174 peak 18669 weight  1.00000E+00 volume  2.64894E+05 ppm1      0.753 ppm2      3.956

ASSI {1337}   (( resid 95   and name  HA  ))   (  resid 133  and name  HD# ) 3.758 2.058 3.088 peak 18672 weight  1.00000E+00 volume  3.95905E+05 ppm1      0.751 ppm2      4.989 !2

ASSI {1338}   (  resid 133  and name  HD# )   (( resid 97   and name  HA  )) 3.826 2.126 3.266 peak 18674 weight  1.00000E+00 volume  3.47238E+05 ppm1      0.750 ppm2      5.157 !2

ASSI {1339}   (  resid 133  and name  HD# )   (( resid 157  and name  HN  )) 4.041 2.241 2.241 peak 18681 weight  1.00000E+00 volume  2.13678E+05 ppm1      0.752 ppm2      8.157

ASSI {1340}   (( resid 133  and name  HG  ))   (( resid 156  and name  HA  )) 3.193 1.493 1.963 peak 20974 weight  1.00000E+00 volume  4.57679E+05 ppm1      1.526 ppm2      3.965 !1

ASSI {1341}   (( resid 134  and name  HA  ))   (( resid 95   and name  HB2 )) 2.95 1.25 4.73 peak 12258 weight  1.00000E+00 volume  9.13276E+05 ppm1      4.630 ppm2      2.080 !2

ASSI {1342}   (( resid 134  and name  HB2 ))   (( resid 134  and name  HA  )) 2.997 1.197 1.197 peak 12881 weight  1.00000E+00 volume  8.15328E+05 ppm1      1.591 ppm2      4.624

ASSI {1343}   (( resid 134  and name  HB1 ))   (( resid 134  and name  HA  )) 2.872 1.072 1.072 peak 12883 weight  1.00000E+00 volume  1.18659E+06 ppm1      1.892 ppm2      4.619

ASSI {1344}   (( resid 95   and name  HA  ))   (( resid 134  and name  HB2 )) 3.665 1.965 2.345 peak 12885 weight  1.00000E+00 volume  1.42840E+05 ppm1      1.596 ppm2      4.984 !1

ASSI {1345}   (( resid 134  and name  HB2 ))   (( resid 95   and name  HN  )) 3.387 1.587 1.587 peak 12890 weight  1.00000E+00 volume  2.84779E+05 ppm1      1.594 ppm2      9.121

ASSI {1346}   (( resid 134  and name  HG1 ))   (( resid 93   and name  HA  )) 3.358 1.658 2.078 peak 14669 weight  1.00000E+00 volume  2.73531E+05 ppm1      2.177 ppm2      4.463 !1

ASSI {1347}   (( resid 134  and name  HG2 ))   (( resid 93   and name  HA  )) 3.249 1.549 3.279 peak 14670 weight  1.00000E+00 volume  3.80701E+05 ppm1      2.144 ppm2      4.462 !2

ASSI {1348}   (( resid 134  and name  HA  ))   (( resid 134  and name  HG1 )) 3.046 1.246 1.246 peak 14671 weight  1.00000E+00 volume  6.82206E+05 ppm1      2.181 ppm2      4.630

ASSI {1349}   (( resid 134  and name  HG1 ))   (( resid 94   and name  HN  )) 3.753 1.954 1.954 peak 14675 weight  1.00000E+00 volume  1.10108E+05 ppm1      2.178 ppm2      8.362

ASSI {1350}   (( resid 134  and name  HG2 ))   (( resid 94   and name  HN  )) 3.558 1.758 1.758 peak 14676 weight  1.00000E+00 volume  1.81303E+05 ppm1      2.148 ppm2      8.361

ASSI {1351}   (( resid 134  and name  HG1 ))   (( resid 135  and name  HN  )) 3.582 1.782 1.782 peak 14677 weight  1.00000E+00 volume  1.73626E+05 ppm1      2.174 ppm2      8.982

ASSI {1352}   (( resid 134  and name  HG2 ))   (( resid 135  and name  HN  )) 3.406 1.706 2.146 peak 14678 weight  1.00000E+00 volume  2.62291E+05 ppm1      2.145 ppm2      8.982 !1

ASSI {1353}   (( resid 95   and name  HN  ))   (( resid 134  and name  HG1 )) 3.601 1.801 1.801 peak 14679 weight  1.00000E+00 volume  1.56431E+05 ppm1      2.179 ppm2      9.106

ASSI {1354}   (( resid 95   and name  HN  ))   (( resid 134  and name  HG2 )) 3.463 1.663 1.663 peak 14680 weight  1.00000E+00 volume  2.25430E+05 ppm1      2.145 ppm2      9.106

ASSI {1355}   (( resid 134  and name  HB2 ))   (( resid 93   and name  HA  )) 3.308 1.608 3.688 peak 14881 weight  1.00000E+00 volume  3.71208E+05 ppm1      4.480 ppm2      1.581 !2

ASSI {1356}   (( resid 134  and name  HA  ))   (( resid 89   and name  HB2 )) 2.9 1.2 2.46 peak 14911 weight  1.00000E+00 volume  1.06763E+06 ppm1      2.275 ppm2      4.638 !2

ASSI {1357}   (( resid 134  and name  HA  ))   (( resid 94   and name  HA  )) 2.966 1.266 2.497 peak 16097 weight  1.00000E+00 volume  8.45320E+05 ppm1      4.624 ppm2      4.469 !2

ASSI {1358}   (( resid 134  and name  HA  ))   (( resid 92   and name  HA2 )) 3.147 1.447 4.297 peak 16099 weight  1.00000E+00 volume  5.29801E+05 ppm1      4.627 ppm2      3.924 !1

ASSI {1359}   (( resid 137  and name  HB1 ))   (( resid 134  and name  HA  )) 3.24 1.54 4.94 peak 16102 weight  1.00000E+00 volume  3.92653E+05 ppm1      4.624 ppm2      3.076 !2

ASSI {1360}   (( resid 134  and name  HA  ))   (( resid 94   and name  HB1 )) 3.39 1.69 5.79 peak 16103 weight  1.00000E+00 volume  2.73584E+05 ppm1      4.624 ppm2      2.769 !3

ASSI {1361}   (( resid 134  and name  HA  ))   (( resid 134  and name  HG2 )) 2.809 1.009 1.009 peak 16105 weight  1.00000E+00 volume  1.45258E+06 ppm1      4.623 ppm2      2.142

ASSI {1362}   (( resid 134  and name  HA  ))   (( resid 135  and name  HN  )) 2.899 1.099 1.099 peak 16113 weight  1.00000E+00 volume  1.07532E+06 ppm1      4.622 ppm2      8.969

ASSI {1363}   (( resid 95   and name  HN  ))   (( resid 134  and name  HA  )) 2.939 1.239 2.159 peak 16114 weight  1.00000E+00 volume  9.48141E+05 ppm1      4.625 ppm2      9.113 !1

ASSI {1364}   (( resid 134  and name  HG1 ))   (( resid 94   and name  HA  )) 2.949 1.149 1.149 peak 20287 weight  1.00000E+00 volume  8.88927E+05 ppm1      4.500 ppm2      2.168

ASSI {1365}   (( resid 134  and name  HB1 ))   (( resid 95   and name  HN  )) 3.313 1.513 1.513 peak 21686 weight  1.00000E+00 volume  3.49492E+05 ppm1      1.896 ppm2      9.135

ASSI {1366}   (( resid 88   and name  HA  ))   (( resid 135  and name  HA1 )) 3.906 2.106 2.106 peak 19587 weight  1.00000E+00 volume  8.88745E+04 ppm1      4.544 ppm2      3.258

ASSI {1367}   (  resid 151  and name  HD# )   (( resid 136  and name  HA  )) 4.035 2.335 2.825 peak 10574 weight  1.00000E+00 volume  1.97158E+05 ppm1      0.759 ppm2      4.785 !1

ASSI {1368}   (( resid 85   and name  HA  ))   (  resid 136  and name  HG1#) 3.639 1.939 4.359 peak 11588 weight  1.00000E+00 volume  5.21271E+05 ppm1      0.979 ppm2      3.214 !2

ASSI {1369}   (( resid 136  and name  HB  ))   (( resid 89   and name  HA  )) 3.377 1.677 2.157 peak 16818 weight  1.00000E+00 volume  2.93659E+05 ppm1      1.799 ppm2      4.511 !1

ASSI {1370}   (( resid 136  and name  HB  ))   (( resid 176  and name  HA  )) 3.649 1.949 3.439 peak 16819 weight  1.00000E+00 volume  1.61770E+05 ppm1      1.797 ppm2      4.043 !2

ASSI {1371}   (( resid 89   and name  HG2 ))   (( resid 136  and name  HA  )) 3.214 1.514 4.924 peak 17169 weight  1.00000E+00 volume  4.40128E+05 ppm1      1.805 ppm2      4.776 !3

ASSI {1372}   (  resid 176  and name  HD1#)   (( resid 136  and name  HA  )) 3.987 2.187 2.187 peak 17450 weight  1.00000E+00 volume  2.19168E+05 ppm1      0.660 ppm2      4.770

ASSI {1373}   (( resid 88   and name  HA  ))   (  resid 136  and name  HG1#) 3.327 1.527 1.527 peak 19596 weight  1.00000E+00 volume  1.05220E+06 ppm1      4.540 ppm2      0.962

ASSI {1374}   (( resid 137  and name  HB2 ))   (( resid 136  and name  HA  )) 3.389 1.689 2.68 peak 21435 weight  1.00000E+00 volume  2.79642E+05 ppm1      2.598 ppm2      4.786 !1

ASSI {1375}   (( resid 138  and name  HG11))   (( resid 137  and name  HA  )) 3.421 1.621 1.621 peak 10549 weight  1.00000E+00 volume  2.66025E+05 ppm1      1.484 ppm2      5.311

ASSI {1376}   (( resid 176  and name  HG11))   (( resid 137  and name  HA  )) 3.454 1.654 1.654 peak 11568 weight  1.00000E+00 volume  2.28448E+05 ppm1      0.890 ppm2      5.318

ASSI {1377}   (( resid 137  and name  HB1 ))   (( resid 137  and name  HA  )) 3.165 1.365 1.365 peak 12142 weight  1.00000E+00 volume  5.11345E+05 ppm1      3.061 ppm2      5.327

ASSI {1378}   (( resid 137  and name  HB1 ))   (( resid 138  and name  HN  )) 3.441 1.64 1.64 peak 12154 weight  1.00000E+00 volume  2.42094E+05 ppm1      3.063 ppm2      9.454

ASSI {1379}   (( resid 137  and name  HB2 ))   (( resid 138  and name  HN  )) 3.413 1.614 1.614 peak 12155 weight  1.00000E+00 volume  2.63668E+05 ppm1      2.598 ppm2      9.457

ASSI {1380}   (( resid 137  and name  HB1 ))   (( resid 175  and name  HA  )) 3.72 2.02 3.84 peak 13624 weight  1.00000E+00 volume  1.34682E+05 ppm1      3.564 ppm2      3.071 !3

ASSI {1381}   (( resid 137  and name  HE3 ))   (( resid 175  and name  HA  )) 3.616 1.916 2.506 peak 13636 weight  1.00000E+00 volume  1.77451E+05 ppm1      3.562 ppm2      7.319 !1
OR {1381}   (( resid 137  and name  HZ3 ))   (( resid 175  and name  HA  ))

ASSI {1382}   (  resid 176  and name  HD1#)   (( resid 137  and name  HA  )) 4.051 2.251 2.251 peak 17452 weight  1.00000E+00 volume  2.21649E+05 ppm1      0.654 ppm2      5.321

ASSI {1383}   (  resid 138  and name  HG2#)   (( resid 137  and name  HN  )) 4.028 2.328 3.208 peak 19724 weight  1.00000E+00 volume  2.32913E+05 ppm1      0.316 ppm2      7.916 !1

ASSI {1384}   (( resid 137  and name  HD1 ))   (( resid 151  and name  HA  )) 3.567 1.867 3.498 peak 20602 weight  1.00000E+00 volume  1.82212E+05 ppm1      4.582 ppm2      6.900 !3

ASSI {1385}   (( resid 137  and name  HB2 ))   (( resid 137  and name  HA  )) 3.153 1.353 1.353 peak 20710 weight  1.00000E+00 volume  5.17391E+05 ppm1      5.332 ppm2      2.581

ASSI {1386}   (( resid 176  and name  HB  ))   (( resid 137  and name  HA  )) 3.235 1.535 2.115 peak 20711 weight  1.00000E+00 volume  4.11298E+05 ppm1      5.329 ppm2      1.616 !1

ASSI {1387}   (( resid 176  and name  HG12))   (( resid 137  and name  HA  )) 3.415 1.715 2.305 peak 20712 weight  1.00000E+00 volume  2.57174E+05 ppm1      5.336 ppm2      1.392 !1

ASSI {1388}   (( resid 137  and name  HE3 ))   (( resid 137  and name  HA  )) 3.495 1.695 1.695 peak 20719 weight  1.00000E+00 volume  2.05278E+05 ppm1      5.322 ppm2      7.306
OR {1388}   (( resid 137  and name  HZ3 ))   (( resid 137  and name  HA  ))

ASSI {1389}   (( resid 138  and name  HN  ))   (( resid 137  and name  HA  )) 3.107 1.307 1.307 peak 20721 weight  1.00000E+00 volume  5.89015E+05 ppm1      5.329 ppm2      9.459

ASSI {1390}   (  resid 138  and name  HD1#)   (( resid 137  and name  HA  )) 4.128 2.328 2.328 peak 20743 weight  1.00000E+00 volume  1.93539E+05 ppm1      0.778 ppm2      5.305

ASSI {1391}   (( resid 138  and name  HG11))   (( resid 176  and name  HA  )) 2.848 1.148 2.608 peak 10547 weight  1.00000E+00 volume  1.28472E+06 ppm1      1.487 ppm2      4.054 !2

ASSI {1392}   (( resid 138  and name  HG11))   (( resid 151  and name  HA  )) 2.878 1.178 3.558 peak 10548 weight  1.00000E+00 volume  1.18390E+06 ppm1      1.474 ppm2      4.585 !2

ASSI {1393}   (( resid 138  and name  HG11))   (( resid 174  and name  HN  )) 3.763 2.063 2.503 peak 10557 weight  1.00000E+00 volume  1.23704E+05 ppm1      1.483 ppm2      9.532 !1

ASSI {1394}   (( resid 174  and name  HB2 ))   (( resid 138  and name  HN  )) 3.732 2.032 4.172 peak 15434 weight  1.00000E+00 volume  1.35574E+05 ppm1      1.667 ppm2      9.450 !3

ASSI {1395}   (( resid 174  and name  HB1 ))   (( resid 138  and name  HN  )) 3.707 2.007 4.777 peak 15435 weight  1.00000E+00 volume  1.35131E+05 ppm1      1.732 ppm2      9.455 !3

ASSI {1396}   (( resid 138  and name  HG11))   (( resid 48   and name  HA  )) 3.623 1.923 5.323 peak 15934 weight  1.00000E+00 volume  1.67356E+05 ppm1      5.188 ppm2      1.472 !3

ASSI {1397}   (( resid 148  and name  HA  ))   (  resid 138  and name  HG2#) 4.485 2.785 4.195 peak 19711 weight  1.00000E+00 volume  9.46894E+04 ppm1      0.329 ppm2      4.080 !2

ASSI {1398}   (  resid 138  and name  HG2#)   (( resid 60   and name  HA  )) 3.863 2.163 2.843 peak 19713 weight  1.00000E+00 volume  3.18854E+05 ppm1      0.322 ppm2      4.628 !1

ASSI {1399}   (  resid 138  and name  HG2#)   (( resid 146  and name  HA  )) 3.207 1.507 3.947 peak 19714 weight  1.00000E+00 volume  1.42947E+06 ppm1      0.320 ppm2      4.864 !3

ASSI {1400}   (  resid 138  and name  HG2#)   (( resid 61   and name  HA  )) 3.263 1.563 3.653 peak 19715 weight  1.00000E+00 volume  1.23174E+06 ppm1      0.322 ppm2      4.961 !2

ASSI {1401}   (  resid 138  and name  HG2#)   (( resid 174  and name  HA  )) 4.135 2.335 2.335 peak 19716 weight  1.00000E+00 volume  1.79491E+05 ppm1      0.317 ppm2      5.268

ASSI {1402}   (  resid 138  and name  HG2#)   (( resid 139  and name  HA  )) 4.068 2.268 2.268 peak 19717 weight  1.00000E+00 volume  2.70819E+05 ppm1      0.318 ppm2      5.455
OR {1402}   (  resid 138  and name  HG2#)   (  resid 139  and name  HE# )

ASSI {1403}   (  resid 138  and name  HG2#)   (( resid 140  and name  HA  )) 4.048 2.248 2.248 peak 19718 weight  1.00000E+00 volume  2.21993E+05 ppm1      0.321 ppm2      5.780

ASSI {1404}   (  resid 138  and name  HG2#)   (( resid 173  and name  HA  )) 3.942 2.142 2.142 peak 19720 weight  1.00000E+00 volume  2.74314E+05 ppm1      0.322 ppm2      6.349

ASSI {1405}   (  resid 138  and name  HG2#)   (( resid 138  and name  HN  )) 3.596 1.796 1.796 peak 19730 weight  1.00000E+00 volume  5.58308E+05 ppm1      0.320 ppm2      9.448

ASSI {1406}   (( resid 138  and name  HG11))   (( resid 61   and name  HA  )) 3.29 1.59 3.97 peak 20655 weight  1.00000E+00 volume  3.53351E+05 ppm1      4.971 ppm2      1.495 !3

ASSI {1407}   (( resid 176  and name  HA  ))   (  resid 138  and name  HD1#) 3.806 2.006 2.006 peak 20739 weight  1.00000E+00 volume  3.59100E+05 ppm1      0.790 ppm2      4.046

ASSI {1408}   (  resid 138  and name  HD1#)   (( resid 60   and name  HA  )) 4.14 2.34 2.34 peak 20740 weight  1.00000E+00 volume  1.91834E+05 ppm1      0.791 ppm2      4.647

ASSI {1409}   (  resid 138  and name  HD1#)   (( resid 173  and name  HA  )) 3.867 2.167 2.587 peak 20744 weight  1.00000E+00 volume  3.17097E+05 ppm1      0.787 ppm2      6.372 !1

ASSI {1410}   (  resid 138  and name  HD1#)   (( resid 138  and name  HN  )) 3.615 1.815 1.815 peak 20749 weight  1.00000E+00 volume  5.52199E+05 ppm1      0.786 ppm2      9.447

ASSI {1411}   (  resid 138  and name  HD1#)   (( resid 174  and name  HN  )) 3.689 1.889 1.889 peak 20750 weight  1.00000E+00 volume  4.65772E+05 ppm1      0.787 ppm2      9.537

ASSI {1412}   (( resid 62   and name  HN  ))   (  resid 138  and name  HD1#) 3.91 2.21 2.63 peak 20751 weight  1.00000E+00 volume  2.89010E+05 ppm1      0.788 ppm2      9.635 !1

ASSI {1413}   (( resid 139  and name  HB1 ))   (( resid 149  and name  HA  )) 3.303 1.603 2.022 peak 17340 weight  1.00000E+00 volume  3.61999E+05 ppm1      4.894 ppm2      3.055 !1

ASSI {1414}   (( resid 173  and name  HB1 ))   (( resid 139  and name  HA  )) 3.189 1.389 1.389 peak 18797 weight  1.00000E+00 volume  5.12468E+05 ppm1      5.483 ppm2      3.513

ASSI {1415}   (( resid 149  and name  HG1 ))   (( resid 139  and name  HA  )) 3.345 1.645 4.375 peak 18800 weight  1.00000E+00 volume  3.00107E+05 ppm1      5.475 ppm2      2.324 !2

ASSI {1416}   (( resid 149  and name  HB1 ))   (( resid 139  and name  HA  )) 3.495 1.795 3.706 peak 18803 weight  1.00000E+00 volume  2.23548E+05 ppm1      5.489 ppm2      1.770 !2

ASSI {1417}   (  resid 170  and name  HG1#)   (( resid 139  and name  HA  )) 3.878 2.078 2.078 peak 18808 weight  1.00000E+00 volume  3.00964E+05 ppm1      5.486 ppm2      0.475

ASSI {1418}   (( resid 173  and name  HA  ))   (( resid 139  and name  HA  )) 3.365 1.565 1.565 peak 18814 weight  1.00000E+00 volume  3.04770E+05 ppm1      5.474 ppm2      6.355

ASSI {1419}   (  resid 173  and name  HD# )   (( resid 139  and name  HA  )) 3.93 2.13 2.13 peak 18815 weight  1.00000E+00 volume  1.83506E+05 ppm1      5.485 ppm2      6.971

ASSI {1420}   (( resid 139  and name  HA  ))   (( resid 170  and name  HB  )) 3.817 2.117 2.857 peak 19262 weight  1.00000E+00 volume  1.04158E+05 ppm1      1.613 ppm2      5.494 !1

ASSI {1421}   (( resid 139  and name  HB2 ))   (( resid 149  and name  HA  )) 3.339 1.639 3.039 peak 20477 weight  1.00000E+00 volume  3.11919E+05 ppm1      4.897 ppm2      2.966 !2

ASSI {1422}   (( resid 139  and name  HB2 ))   (( resid 173  and name  HA  )) 3.644 1.944 3.655 peak 20626 weight  1.00000E+00 volume  1.64254E+05 ppm1      6.363 ppm2      2.985 !2

ASSI {1423}   (( resid 141  and name  HB2 ))   (( resid 140  and name  HA  )) 3.489 1.789 2.778 peak 12485 weight  1.00000E+00 volume  2.47741E+05 ppm1      2.378 ppm2      5.755 !1

ASSI {1424}   (( resid 143  and name  HA  ))   (( resid 140  and name  HB2 )) 3.841 2.041 2.041 peak 14358 weight  1.00000E+00 volume  1.01671E+05 ppm1      3.604 ppm2      4.145

ASSI {1425}   (( resid 170  and name  HA  ))   (( resid 140  and name  HB1 )) 3.474 1.774 3.804 peak 14361 weight  1.00000E+00 volume  2.28233E+05 ppm1      3.315 ppm2      4.458 !2

ASSI {1426}   (( resid 140  and name  HA  ))   (( resid 140  and name  HB2 )) 3.424 1.624 1.624 peak 14365 weight  1.00000E+00 volume  2.73238E+05 ppm1      3.586 ppm2      5.749

ASSI {1427}   (( resid 140  and name  HB2 ))   (( resid 141  and name  HN  )) 3.86 2.06 2.06 peak 14374 weight  1.00000E+00 volume  9.61977E+04 ppm1      3.587 ppm2      9.246

ASSI {1428}   (( resid 140  and name  HB1 ))   (( resid 141  and name  HN  )) 3.794 1.994 1.994 peak 14375 weight  1.00000E+00 volume  1.11492E+05 ppm1      3.312 ppm2      9.233

ASSI {1429}   (( resid 141  and name  HA  ))   (( resid 140  and name  HA  )) 3.401 1.601 1.601 peak 15884 weight  1.00000E+00 volume  3.08219E+05 ppm1      4.420 ppm2      5.758

ASSI {1430}   (( resid 143  and name  HA  ))   (( resid 140  and name  HB1 )) 3.632 1.832 1.832 peak 16259 weight  1.00000E+00 volume  1.66448E+05 ppm1      4.156 ppm2      3.320

ASSI {1431}   (( resid 140  and name  HB2 ))   (( resid 146  and name  HA  )) 3.334 1.634 2.364 peak 17336 weight  1.00000E+00 volume  3.31414E+05 ppm1      4.867 ppm2      3.588 !1

ASSI {1432}   (( resid 140  and name  HA  ))   (( resid 149  and name  HA  )) 3.185 1.385 1.385 peak 18370 weight  1.00000E+00 volume  5.19746E+05 ppm1      5.767 ppm2      4.901

ASSI {1433}   (( resid 140  and name  HA  ))   (( resid 140  and name  HB1 )) 3.093 1.293 1.293 peak 18372 weight  1.00000E+00 volume  6.27486E+05 ppm1      5.762 ppm2      3.314

ASSI {1434}   (  resid 170  and name  HG1#)   (( resid 140  and name  HA  )) 4.149 2.349 2.349 peak 18380 weight  1.00000E+00 volume  1.71312E+05 ppm1      5.766 ppm2      0.477

ASSI {1435}   (( resid 140  and name  HA  ))   (  resid 140  and name  HD# ) 3.775 1.975 1.975 peak 18382 weight  1.00000E+00 volume  2.39812E+05 ppm1      5.763 ppm2      7.130

ASSI {1436}   (( resid 140  and name  HA  ))   (( resid 141  and name  HN  )) 2.918 1.119 1.119 peak 18387 weight  1.00000E+00 volume  1.03461E+06 ppm1      5.768 ppm2      9.242

ASSI {1437}   (( resid 140  and name  HB2 ))   (( resid 149  and name  HA  )) 3.476 1.776 2.206 peak 20475 weight  1.00000E+00 volume  2.15568E+05 ppm1      4.891 ppm2      3.599 !1

ASSI {1438}   (( resid 140  and name  HB1 ))   (( resid 149  and name  HA  )) 3.335 1.635 2.315 peak 20476 weight  1.00000E+00 volume  3.36030E+05 ppm1      4.900 ppm2      3.334 !1

ASSI {1439}   (( resid 173  and name  HA  ))   (  resid 140  and name  HD# ) 3.636 1.836 1.836 peak 20638 weight  1.00000E+00 volume  3.35831E+05 ppm1      6.363 ppm2      7.127

ASSI {1440}   (( resid 141  and name  HA  ))   (( resid 141  and name  HB1 )) 2.945 1.245 3.505 peak 12480 weight  1.00000E+00 volume  9.40377E+05 ppm1      2.528 ppm2      4.417 !1

ASSI {1441}   (( resid 141  and name  HB2 ))   (( resid 142  and name  HN  )) 3.269 1.469 1.469 peak 12488 weight  1.00000E+00 volume  3.84532E+05 ppm1      2.376 ppm2      8.075

ASSI {1442}   (( resid 141  and name  HB1 ))   (( resid 148  and name  HN  )) 3.051 1.251 1.251 peak 12489 weight  1.00000E+00 volume  6.82898E+05 ppm1      2.534 ppm2      8.606

ASSI {1443}   (( resid 141  and name  HB2 ))   (( resid 141  and name  HN  )) 3.213 1.413 1.413 peak 12491 weight  1.00000E+00 volume  4.67153E+05 ppm1      2.379 ppm2      9.248

ASSI {1444}   (( resid 141  and name  HG1 ))   (( resid 170  and name  HA  )) 3.72 2.02 2.619 peak 15849 weight  1.00000E+00 volume  1.35871E+05 ppm1      4.477 ppm2      2.655 !1

ASSI {1445}   (( resid 141  and name  HA  ))   (( resid 143  and name  HD1 )) 3.324 1.624 3.494 peak 15871 weight  1.00000E+00 volume  3.35217E+05 ppm1      4.418 ppm2      3.670 !2

ASSI {1446}   (( resid 141  and name  HA  ))   (( resid 141  and name  HB2 )) 2.849 1.149 1.89 peak 15875 weight  1.00000E+00 volume  1.23169E+06 ppm1      4.410 ppm2      2.385 !1

ASSI {1447}   (( resid 148  and name  HG2 ))   (( resid 141  and name  HA  )) 3.349 1.649 3.519 peak 15876 weight  1.00000E+00 volume  3.06167E+05 ppm1      4.420 ppm2      1.831 !3
OR {1447}   (( resid 141  and name  HA  ))   (( resid 148  and name  HB2 ))

ASSI {1448}   (( resid 141  and name  HA  ))   (( resid 170  and name  HB  )) 3.222 1.422 1.422 peak 15878 weight  1.00000E+00 volume  4.37775E+05 ppm1      4.415 ppm2      1.632

ASSI {1449}   (( resid 141  and name  HA  ))   (  resid 142  and name  HD1#) 3.946 2.146 2.146 peak 15879 weight  1.00000E+00 volume  2.54587E+05 ppm1      4.412 ppm2      0.987

ASSI {1450}   (( resid 141  and name  HA  ))   (  resid 170  and name  HG1#) 3.715 1.915 1.915 peak 15881 weight  1.00000E+00 volume  4.26773E+05 ppm1      4.411 ppm2      0.471

ASSI {1451}   (( resid 141  and name  HA  ))   (( resid 142  and name  HA  )) 3.502 1.702 1.702 peak 15882 weight  1.00000E+00 volume  2.11618E+05 ppm1      4.416 ppm2      4.975

ASSI {1452}   (( resid 141  and name  HA  ))   (  resid 150  and name  HE# ) 3.823 2.023 2.023 peak 15886 weight  1.00000E+00 volume  2.00170E+05 ppm1      4.415 ppm2      6.704

ASSI {1453}   (( resid 141  and name  HA  ))   (( resid 170  and name  HN  )) 3.272 1.572 2.253 peak 15888 weight  1.00000E+00 volume  3.66760E+05 ppm1      4.427 ppm2      7.301 !1

ASSI {1454}   (( resid 141  and name  HA  ))   (( resid 141  and name  HN  )) 3.185 1.485 2.135 peak 15890 weight  1.00000E+00 volume  4.95233E+05 ppm1      4.413 ppm2      9.244 !1

ASSI {1455}   (( resid 141  and name  HG1 ))   (( resid 143  and name  HA  )) 3.526 1.826 5.546 peak 16262 weight  1.00000E+00 volume  2.13634E+05 ppm1      4.158 ppm2      2.633 !1

ASSI {1456}   (( resid 147  and name  HA1 ))   (( resid 141  and name  HN  )) 3.239 1.439 1.439 peak 16454 weight  1.00000E+00 volume  3.90650E+05 ppm1      3.888 ppm2      9.232

ASSI {1457}   (( resid 141  and name  HG1 ))   (( resid 141  and name  HA  )) 2.913 1.213 1.764 peak 17873 weight  1.00000E+00 volume  1.05089E+06 ppm1      2.647 ppm2      4.410 !1

ASSI {1458}   (( resid 148  and name  HA  ))   (( resid 141  and name  HN  )) 3.918 2.119 2.119 peak 19350 weight  1.00000E+00 volume  8.36334E+04 ppm1      4.068 ppm2      9.255

ASSI {1459}   (( resid 141  and name  HB2 ))   (( resid 142  and name  HA  )) 3.12 1.42 2.91 peak 20327 weight  1.00000E+00 volume  5.71653E+05 ppm1      4.991 ppm2      2.373 !2

ASSI {1460}   (  resid 142  and name  HD2#)   (( resid 146  and name  HA  )) 2.896 1.196 2.856 peak 10998 weight  1.00000E+00 volume  3.41267E+06 ppm1      0.900 ppm2      4.867 !1

ASSI {1461}   (( resid 142  and name  HA  ))   (  resid 142  and name  HD2#) 3.538 1.738 1.738 peak 11597 weight  1.00000E+00 volume  6.37099E+05 ppm1      0.894 ppm2      4.997

ASSI {1462}   (( resid 142  and name  HA  ))   (  resid 142  and name  HD1#) 2.753 0.9535 0.9535 peak 11601 weight  1.00000E+00 volume  5.50527E+06 ppm1      0.974 ppm2      5.000

ASSI {1463}   (  resid 142  and name  HD2#)   (( resid 142  and name  HN  )) 3.761 1.961 1.961 peak 11604 weight  1.00000E+00 volume  3.83767E+05 ppm1      0.899 ppm2      8.063

ASSI {1464}   (( resid 148  and name  HN  ))   (  resid 142  and name  HD2#) 4.002 2.201 2.201 peak 11607 weight  1.00000E+00 volume  2.38065E+05 ppm1      0.893 ppm2      8.607

ASSI {1465}   (( resid 171  and name  HG2 ))   (( resid 142  and name  HA  )) 3.113 1.313 1.313 peak 12454 weight  1.00000E+00 volume  5.79639E+05 ppm1      2.332 ppm2      4.977

ASSI {1466}   (( resid 143  and name  HA  ))   (  resid 142  and name  HB# ) 3.875 2.075 2.075 peak 12474 weight  1.00000E+00 volume  9.05352E+04 ppm1      1.457 ppm2      4.153

ASSI {1467}   (  resid 142  and name  HB# )   (( resid 146  and name  HN  )) 4.742 2.942 2.942 peak 12477 weight  1.00000E+00 volume  1.56816E+04 ppm1      1.467 ppm2      6.143

ASSI {1468}   (  resid 142  and name  HB# )   (( resid 142  and name  HN  )) 3.583 1.783 1.783 peak 12478 weight  1.00000E+00 volume  1.82104E+05 ppm1      1.452 ppm2      8.052

ASSI {1469}   (( resid 170  and name  HA  ))   (  resid 142  and name  HD1#) 4.121 2.421 2.841 peak 15854 weight  1.00000E+00 volume  1.84741E+05 ppm1      4.469 ppm2      0.979 !1

ASSI {1470}   (( resid 142  and name  HA  ))   (( resid 143  and name  HD2 )) 3.008 1.208 1.208 peak 16362 weight  1.00000E+00 volume  7.40345E+05 ppm1      3.614 ppm2      5.000

ASSI {1471}   (( resid 143  and name  HD2 ))   (( resid 142  and name  HN  )) 3.714 1.914 1.914 peak 16364 weight  1.00000E+00 volume  1.40274E+05 ppm1      3.623 ppm2      8.067

ASSI {1472}   (( resid 147  and name  HA2 ))   (( resid 142  and name  HN  )) 3.437 1.637 1.637 peak 16444 weight  1.00000E+00 volume  2.52850E+05 ppm1      4.315 ppm2      8.055

ASSI {1473}   (( resid 142  and name  HA  ))   (  resid 142  and name  HB# ) 3.271 1.47 1.47 peak 21528 weight  1.00000E+00 volume  3.81145E+05 ppm1      1.453 ppm2      4.975

ASSI {1474}   (( resid 142  and name  HA  ))   (( resid 171  and name  HB1 )) 3.287 1.487 1.487 peak 21896 weight  1.00000E+00 volume  3.55508E+05 ppm1      1.486 ppm2      4.987

ASSI {1475}   (( resid 142  and name  HA  ))   (( resid 143  and name  HD1 )) 2.925 1.125 1.125 peak 22791 weight  1.00000E+00 volume  8.98486E+05 ppm1      3.681 ppm2      4.997

ASSI {1476}   (( resid 142  and name  HA  ))   (( resid 146  and name  HB1 )) 3.09 1.39 4.079 peak 24062 weight  1.00000E+00 volume  5.97098E+05 ppm1      1.580 ppm2      4.977 !4

ASSI {1477}   (( resid 172  and name  HA  ))   (( resid 143  and name  HB2 )) 3.459 1.759 4.159 peak 10628 weight  1.00000E+00 volume  2.40208E+05 ppm1      4.555 ppm2      2.426 !3

ASSI {1478}   (( resid 172  and name  HA  ))   (( resid 143  and name  HA  )) 2.816 1.116 2.626 peak 10632 weight  1.00000E+00 volume  1.37531E+06 ppm1      4.557 ppm2      4.160 !2

ASSI {1479}   (( resid 143  and name  HA  ))   (  resid 143  and name  HG# ) 2.999 1.299 2.249 peak 11385 weight  1.00000E+00 volume  7.61447E+05 ppm1      2.043 ppm2      4.157 !1

ASSI {1480}   (  resid 143  and name  HG# )   (( resid 144  and name  HN  )) 4.087 2.287 2.287 peak 11389 weight  1.00000E+00 volume  5.81050E+04 ppm1      2.047 ppm2      9.690

ASSI {1481}   (( resid 171  and name  HG1 ))   (( resid 143  and name  HA  )) 3.511 1.711 1.711 peak 12446 weight  1.00000E+00 volume  2.07104E+05 ppm1      2.547 ppm2      4.161

ASSI {1482}   (( resid 143  and name  HA  ))   (( resid 143  and name  HB1 )) 2.843 1.043 1.043 peak 13550 weight  1.00000E+00 volume  1.29436E+06 ppm1      1.812 ppm2      4.165

ASSI {1483}   (( resid 143  and name  HA  ))   (( resid 143  and name  HB2 )) 2.804 1.004 1.004 peak 13551 weight  1.00000E+00 volume  1.45015E+06 ppm1      2.444 ppm2      4.168

ASSI {1484}   (( resid 143  and name  HB2 ))   (( resid 144  and name  HN  )) 3.356 1.556 1.556 peak 13555 weight  1.00000E+00 volume  3.10613E+05 ppm1      2.443 ppm2      9.680

ASSI {1485}   (  resid 172  and name  HB# )   (( resid 143  and name  HA  )) 2.835 1.035 1.035 peak 15278 weight  1.00000E+00 volume  1.19315E+06 ppm1      4.216 ppm2      4.153

ASSI {1486}   (( resid 143  and name  HA  ))   (( resid 145  and name  HA  )) 3.678 1.877 1.877 peak 15795 weight  1.00000E+00 volume  1.45984E+05 ppm1      2.816 ppm2      4.176

ASSI {1487}   (( resid 143  and name  HD1 ))   (( resid 144  and name  HA  )) 3.049 1.349 4.699 peak 15837 weight  1.00000E+00 volume  7.14905E+05 ppm1      3.163 ppm2      3.666 !2

ASSI {1488}   (( resid 143  and name  HA  ))   (( resid 145  and name  HB1 )) 3.687 1.987 3.767 peak 16261 weight  1.00000E+00 volume  1.46441E+05 ppm1      4.161 ppm2      2.931 !2

ASSI {1489}   (( resid 143  and name  HA  ))   (  resid 145  and name  HE# ) 3.771 2.071 3.28 peak 16276 weight  1.00000E+00 volume  2.58404E+05 ppm1      4.153 ppm2      6.697 !2

ASSI {1490}   (( resid 143  and name  HA  ))   (( resid 143  and name  HD1 )) 2.862 1.062 1.062 peak 16351 weight  1.00000E+00 volume  1.11063E+06 ppm1      3.678 ppm2      4.159

ASSI {1491}   (( resid 143  and name  HA  ))   (( resid 143  and name  HD2 )) 3.105 1.305 1.305 peak 16352 weight  1.00000E+00 volume  5.63873E+05 ppm1      3.614 ppm2      4.162

ASSI {1492}   (( resid 144  and name  HB1 ))   (( resid 143  and name  HA  )) 3.471 1.771 2.491 peak 16520 weight  1.00000E+00 volume  2.36291E+05 ppm1      2.711 ppm2      4.158 !1

ASSI {1493}   (( resid 144  and name  HA  ))   (( resid 145  and name  HA  )) 3.712 2.012 2.732 peak 15791 weight  1.00000E+00 volume  1.26083E+05 ppm1      2.825 ppm2      3.141 !1

ASSI {1494}   (( resid 144  and name  HB1 ))   (( resid 144  and name  HN  )) 3.387 1.587 1.587 peak 16527 weight  1.00000E+00 volume  2.93912E+05 ppm1      2.713 ppm2      9.683

ASSI {1495}   (( resid 144  and name  HB2 ))   (( resid 144  and name  HN  )) 3.474 1.675 1.675 peak 16528 weight  1.00000E+00 volume  2.36115E+05 ppm1      2.565 ppm2      9.684

ASSI {1496}   (  resid 172  and name  HB# )   (( resid 144  and name  HA  )) 3.059 1.359 2.44 peak 16847 weight  1.00000E+00 volume  6.91500E+05 ppm1      3.152 ppm2      4.197 !2

ASSI {1497}   (( resid 144  and name  HA  ))   (( resid 145  and name  HN  )) 3.25 1.45 1.45 peak 16854 weight  1.00000E+00 volume  4.12859E+05 ppm1      3.153 ppm2      7.878

ASSI {1498}   (( resid 144  and name  HA  ))   (( resid 144  and name  HN  )) 2.86 1.06 1.06 peak 16855 weight  1.00000E+00 volume  1.22195E+06 ppm1      3.152 ppm2      9.674

ASSI {1499}   (( resid 145  and name  HB1 ))   (( resid 145  and name  HA  )) 3.107 1.307 1.307 peak 15788 weight  1.00000E+00 volume  5.68287E+05 ppm1      2.817 ppm2      2.948

ASSI {1500}   (( resid 145  and name  HB2 ))   (( resid 145  and name  HA  )) 3.163 1.363 1.363 peak 15789 weight  1.00000E+00 volume  5.28465E+05 ppm1      2.829 ppm2      1.875

ASSI {1501}   (( resid 173  and name  HB1 ))   (( resid 145  and name  HA  )) 3.785 2.085 2.555 peak 15794 weight  1.00000E+00 volume  1.21028E+05 ppm1      2.829 ppm2      3.521 !1

ASSI {1502}   (  resid 146  and name  HG# )   (( resid 145  and name  HN  )) 2.942 1.242 2.243 peak 22152 weight  1.00000E+00 volume  9.43623E+05 ppm1      1.615 ppm2      7.866 !1

ASSI {1503}   (( resid 146  and name  HD1 ))   (( resid 146  and name  HA  )) 2.849 1.149 2.72 peak 11816 weight  1.00000E+00 volume  1.28096E+06 ppm1      3.243 ppm2      4.856 !2

ASSI {1504}   (  resid 146  and name  HG# )   (( resid 146  and name  HN  )) 3.067 1.267 1.267 peak 14482 weight  1.00000E+00 volume  6.84857E+05 ppm1      1.602 ppm2      6.143

ASSI {1505}   (  resid 172  and name  HB# )   (( resid 146  and name  HN  )) 3.978 2.178 2.178 peak 15296 weight  1.00000E+00 volume  8.99075E+04 ppm1      4.212 ppm2      6.161

ASSI {1506}   (( resid 147  and name  HA1 ))   (( resid 146  and name  HA  )) 3.103 1.302 1.302 peak 16443 weight  1.00000E+00 volume  6.39862E+05 ppm1      3.887 ppm2      4.853

ASSI {1507}   (( resid 146  and name  HB1 ))   (( resid 149  and name  HA  )) 3.045 1.345 6.915 peak 20215 weight  1.00000E+00 volume  6.86247E+05 ppm1      1.584 ppm2      4.889 !3

ASSI {1508}   (( resid 146  and name  HB1 ))   (( resid 146  and name  HN  )) 3.504 1.704 1.704 peak 20218 weight  1.00000E+00 volume  2.12609E+05 ppm1      1.587 ppm2      6.152

ASSI {1509}   (( resid 146  and name  HB2 ))   (( resid 146  and name  HN  )) 3.442 1.642 1.642 peak 20219 weight  1.00000E+00 volume  2.50044E+05 ppm1      1.914 ppm2      6.146

ASSI {1510}   (( resid 173  and name  HA  ))   (( resid 146  and name  HN  )) 3.163 1.463 3.303 peak 20618 weight  1.00000E+00 volume  5.23956E+05 ppm1      6.369 ppm2      6.162 !2

ASSI {1511}   (( resid 147  and name  HA2 ))   (( resid 149  and name  HA  )) 3.329 1.629 4.319 peak 12251 weight  1.00000E+00 volume  3.27629E+05 ppm1      4.307 ppm2      4.885 !3

ASSI {1512}   (( resid 147  and name  HA1 ))   (( resid 148  and name  HN  )) 2.829 1.029 1.029 peak 16453 weight  1.00000E+00 volume  1.24437E+06 ppm1      3.880 ppm2      8.607

ASSI {1513}   (( resid 147  and name  HA1 ))   (( resid 170  and name  HA  )) 3.413 1.713 4.223 peak 22629 weight  1.00000E+00 volume  2.83382E+05 ppm1      4.472 ppm2      3.876 !3

ASSI {1514}   (( resid 148  and name  HA  ))   (( resid 149  and name  HB1 )) 3.41 1.71 3.561 peak 11939 weight  1.00000E+00 volume  2.69386E+05 ppm1      1.752 ppm2      4.092 !2

ASSI {1515}   (( resid 148  and name  HA  ))   (( resid 148  and name  HB1 )) 3.033 1.233 1.233 peak 11956 weight  1.00000E+00 volume  7.49673E+05 ppm1      1.656 ppm2      4.076

ASSI {1516}   (( resid 148  and name  HA  ))   (( resid 148  and name  HB2 )) 2.782 0.982 0.982 peak 11957 weight  1.00000E+00 volume  1.51305E+06 ppm1      1.819 ppm2      4.074

ASSI {1517}   (( resid 148  and name  HB1 ))   (( resid 149  and name  HA  )) 3.34 1.64 2.629 peak 11963 weight  1.00000E+00 volume  3.15617E+05 ppm1      1.663 ppm2      4.886 !1

ASSI {1518}   (( resid 148  and name  HB1 ))   (( resid 148  and name  HN  )) 3.336 1.636 2.636 peak 11971 weight  1.00000E+00 volume  3.10306E+05 ppm1      1.665 ppm2      8.600 !1

ASSI {1519}   (( resid 148  and name  HD1 ))   (( resid 148  and name  HA  )) 3.189 1.489 2.539 peak 12519 weight  1.00000E+00 volume  5.07619E+05 ppm1      3.273 ppm2      4.084 !1

ASSI {1520}   (( resid 148  and name  HG1 ))   (( resid 148  and name  HA  )) 2.813 1.113 2.163 peak 17167 weight  1.00000E+00 volume  1.41427E+06 ppm1      1.491 ppm2      4.093 !1

ASSI {1521}   (( resid 148  and name  HG1 ))   (( resid 148  and name  HN  )) 3.27 1.47 1.47 peak 17178 weight  1.00000E+00 volume  3.64825E+05 ppm1      1.501 ppm2      8.607

ASSI {1522}   (( resid 148  and name  HA  ))   (( resid 148  and name  HE  )) 3.931 2.231 2.701 peak 19348 weight  1.00000E+00 volume  9.13874E+04 ppm1      4.085 ppm2      7.515 !1

ASSI {1523}   (( resid 148  and name  HA  ))   (( resid 148  and name  HN  )) 3.159 1.359 1.359 peak 19349 weight  1.00000E+00 volume  5.22460E+05 ppm1      4.073 ppm2      8.602

ASSI {1524}   (( resid 148  and name  HD2 ))   (( resid 148  and name  HA  )) 3.194 1.494 2.514 peak 19352 weight  1.00000E+00 volume  4.75921E+05 ppm1      4.077 ppm2      3.128 !2

ASSI {1525}   (( resid 148  and name  HA  ))   (( resid 76   and name  HB1 )) 3.511 1.811 4.301 peak 19359 weight  1.00000E+00 volume  2.16819E+05 ppm1      4.079 ppm2      1.307 !3

ASSI {1526}   (( resid 149  and name  HB1 ))   (( resid 60   and name  HA  )) 3.239 1.539 2.779 peak 11940 weight  1.00000E+00 volume  3.95921E+05 ppm1      1.755 ppm2      4.636 !1

ASSI {1527}   (( resid 149  and name  HB2 ))   (( resid 60   and name  HA  )) 3.317 1.617 2.057 peak 11941 weight  1.00000E+00 volume  3.26477E+05 ppm1      1.555 ppm2      4.646 !1

ASSI {1528}   (( resid 149  and name  HB1 ))   (( resid 149  and name  HA  )) 3.229 1.429 1.429 peak 11942 weight  1.00000E+00 volume  4.29161E+05 ppm1      1.754 ppm2      4.885

ASSI {1529}   (( resid 149  and name  HB2 ))   (( resid 149  and name  HA  )) 3.145 1.345 1.345 peak 11943 weight  1.00000E+00 volume  5.22007E+05 ppm1      1.552 ppm2      4.889

ASSI {1530}   (( resid 149  and name  HG2 ))   (( resid 149  and name  HA  )) 3.487 1.687 1.687 peak 12109 weight  1.00000E+00 volume  2.16630E+05 ppm1      2.497 ppm2      4.894

ASSI {1531}   (( resid 149  and name  HG1 ))   (( resid 149  and name  HA  )) 3.522 1.722 1.722 peak 12110 weight  1.00000E+00 volume  2.05839E+05 ppm1      2.318 ppm2      4.893

ASSI {1532}   (( resid 149  and name  HG2 ))   (( resid 61   and name  HN  )) 3.457 1.657 1.657 peak 12118 weight  1.00000E+00 volume  2.46745E+05 ppm1      2.493 ppm2      8.180

ASSI {1533}   (( resid 151  and name  HB1 ))   (( resid 150  and name  HA  )) 3.697 1.997 3.637 peak 12326 weight  1.00000E+00 volume  1.42864E+05 ppm1      1.185 ppm2      4.942 !1

ASSI {1534}   (( resid 165  and name  HA  ))   (  resid 150  and name  HE# ) 3.038 1.239 1.239 peak 13827 weight  1.00000E+00 volume  1.50807E+06 ppm1      4.498 ppm2      6.702

ASSI {1535}   (  resid 61   and name  HD1#)   (( resid 150  and name  HA  )) 3.538 1.738 1.738 peak 14753 weight  1.00000E+00 volume  6.11500E+05 ppm1      0.664 ppm2      4.947

ASSI {1536}   (( resid 151  and name  HB2 ))   (( resid 150  and name  HA  )) 2.934 1.234 2.884 peak 18028 weight  1.00000E+00 volume  9.12383E+05 ppm1      4.937 ppm2      1.882 !2

ASSI {1537}   (( resid 150  and name  HB1 ))   (( resid 150  and name  HA  )) 3.194 1.394 1.394 peak 20149 weight  1.00000E+00 volume  4.62720E+05 ppm1      2.528 ppm2      4.926

ASSI {1538}   (( resid 150  and name  HB2 ))   (( resid 150  and name  HA  )) 3.111 1.311 1.311 peak 20150 weight  1.00000E+00 volume  5.94861E+05 ppm1      3.571 ppm2      4.936

ASSI {1539}   (( resid 150  and name  HB2 ))   (( resid 151  and name  HN  )) 3.559 1.759 1.759 peak 20155 weight  1.00000E+00 volume  1.80618E+05 ppm1      3.578 ppm2      8.284

ASSI {1540}   (( resid 151  and name  HB1 ))   (( resid 151  and name  HN  )) 3.429 1.629 1.629 peak 12328 weight  1.00000E+00 volume  2.59291E+05 ppm1      1.186 ppm2      8.275

ASSI {1541}   (( resid 151  and name  HB1 ))   (( resid 152  and name  HN  )) 3.952 2.152 2.152 peak 12330 weight  1.00000E+00 volume  8.58147E+04 ppm1      1.186 ppm2      9.324

ASSI {1542}   (( resid 151  and name  HB2 ))   (( resid 152  and name  HN  )) 3.877 2.077 2.077 peak 12331 weight  1.00000E+00 volume  9.59565E+04 ppm1      1.905 ppm2      9.326

ASSI {1543}   (  resid 61   and name  HD1#)   (( resid 151  and name  HA  )) 3.952 2.152 2.152 peak 14751 weight  1.00000E+00 volume  2.52459E+05 ppm1      0.665 ppm2      4.590

ASSI {1544}   (  resid 176  and name  HD1#)   (( resid 151  and name  HA  )) 4.188 2.388 2.388 peak 17449 weight  1.00000E+00 volume  1.63181E+05 ppm1      0.656 ppm2      4.582

ASSI {1545}   (( resid 151  and name  HG  ))   (( resid 151  and name  HA  )) 3.48 1.68 1.68 peak 18206 weight  1.00000E+00 volume  2.25115E+05 ppm1      1.357 ppm2      4.585

ASSI {1546}   (( resid 151  and name  HG  ))   (( resid 152  and name  HN  )) 3.458 1.758 3.088 peak 18212 weight  1.00000E+00 volume  2.43862E+05 ppm1      1.354 ppm2      9.309 !1

ASSI {1547}   (  resid 152  and name  HD# )   (( resid 163  and name  HA  )) 4.404 2.604 2.604 peak 13944 weight  1.00000E+00 volume  1.05330E+05 ppm1      5.323 ppm2     -0.559

ASSI {1548}   (( resid 155  and name  HB2 ))   (( resid 155  and name  HA  )) 3.888 2.188 3.108 peak 20239 weight  1.00000E+00 volume  9.26424E+04 ppm1      4.286 ppm2      1.977 !1

ASSI {1549}   (( resid 157  and name  HB1 ))   (( resid 156  and name  HA  )) 3.782 1.982 1.982 peak 12808 weight  1.00000E+00 volume  1.52051E+05 ppm1      3.191 ppm2      3.947

ASSI {1550}   (( resid 157  and name  HB2 ))   (( resid 156  and name  HA  )) 3.645 1.845 1.845 peak 15305 weight  1.00000E+00 volume  1.62538E+05 ppm1      3.949 ppm2      2.791

ASSI {1551}   (( resid 156  and name  HG1 ))   (( resid 156  and name  HA  )) 3.206 1.406 1.406 peak 15306 weight  1.00000E+00 volume  4.45326E+05 ppm1      3.954 ppm2      2.440

ASSI {1552}   (( resid 156  and name  HG1 ))   (( resid 156  and name  HN  )) 3.299 1.599 2.149 peak 18658 weight  1.00000E+00 volume  3.61418E+05 ppm1      2.450 ppm2      7.963 !1

ASSI {1553}   (( resid 157  and name  HB1 ))   (( resid 160  and name  HA  )) 3.823 2.123 2.543 peak 12500 weight  1.00000E+00 volume  1.08624E+05 ppm1      1.051 ppm2      3.198 !1

ASSI {1554}   (( resid 157  and name  HB1 ))   (( resid 163  and name  HA  )) 3.608 1.908 3.318 peak 12810 weight  1.00000E+00 volume  1.61305E+05 ppm1      3.192 ppm2      5.303 !2

ASSI {1555}   (( resid 157  and name  HB1 ))   (( resid 159  and name  HA  )) 3.699 1.999 2.428 peak 13431 weight  1.00000E+00 volume  1.31941E+05 ppm1      3.173 ppm2      5.271 !1

ASSI {1556}   (( resid 157  and name  HB2 ))   (( resid 163  and name  HA  )) 3.482 1.782 3.463 peak 13937 weight  1.00000E+00 volume  2.26979E+05 ppm1      5.323 ppm2      2.787 !2

ASSI {1557}   (  resid 158  and name  HG# )   (( resid 158  and name  HN  )) 3.615 1.816 1.816 peak 11268 weight  1.00000E+00 volume  1.71285E+05 ppm1      1.704 ppm2      8.978

ASSI {1558}   (( resid 159  and name  HD2 ))   (( resid 158  and name  HA  )) 3.562 1.862 4.262 peak 12953 weight  1.00000E+00 volume  1.89840E+05 ppm1      1.575 ppm2      3.368 !3

ASSI {1559}   (( resid 160  and name  HG2 ))   (( resid 158  and name  HA  )) 2.817 1.117 6.237 peak 13254 weight  1.00000E+00 volume  1.33402E+06 ppm1      1.751 ppm2      3.392 !2

ASSI {1560}   (( resid 159  and name  HG1 ))   (( resid 158  and name  HA  )) 3.266 1.566 2.586 peak 14573 weight  1.00000E+00 volume  4.20853E+05 ppm1      1.185 ppm2      3.388 !2

ASSI {1561}   (( resid 159  and name  HN  ))   (  resid 158  and name  HD# ) 3.491 1.791 2.191 peak 14733 weight  1.00000E+00 volume  2.19284E+05 ppm1      3.144 ppm2      7.887 !1

ASSI {1562}   (  resid 158  and name  HD# )   (( resid 158  and name  HN  )) 3.377 1.577 1.577 peak 14734 weight  1.00000E+00 volume  2.87095E+05 ppm1      3.141 ppm2      8.980

ASSI {1563}   (( resid 162  and name  HA  ))   (  resid 158  and name  HG# ) 2.908 1.208 4.488 peak 14789 weight  1.00000E+00 volume  1.04593E+06 ppm1      4.593 ppm2      1.724 !4

ASSI {1564}   (( resid 159  and name  HN  ))   (( resid 158  and name  HB1 )) 3.603 1.903 3.193 peak 16984 weight  1.00000E+00 volume  1.68536E+05 ppm1      1.619 ppm2      7.860 !1

ASSI {1565}   (( resid 158  and name  HB1 ))   (( resid 158  and name  HN  )) 3.544 1.744 1.744 peak 16986 weight  1.00000E+00 volume  1.86592E+05 ppm1      1.619 ppm2      8.983

ASSI {1566}   (( resid 158  and name  HB2 ))   (( resid 158  and name  HN  )) 3.408 1.608 1.608 peak 16987 weight  1.00000E+00 volume  2.69922E+05 ppm1      1.967 ppm2      8.966

ASSI {1567}   (( resid 159  and name  HG2 ))   (( resid 158  and name  HA  )) 3.439 1.739 2.299 peak 19524 weight  1.00000E+00 volume  2.64018E+05 ppm1      3.385 ppm2      1.332 !1

ASSI {1568}   (( resid 158  and name  HA  ))   (( resid 158  and name  HE  )) 4.593 2.793 2.793 peak 19535 weight  1.00000E+00 volume  2.45855E+04 ppm1      3.385 ppm2      7.494

ASSI {1569}   (( resid 159  and name  HN  ))   (( resid 158  and name  HA  )) 3.613 1.813 1.813 peak 19536 weight  1.00000E+00 volume  1.63473E+05 ppm1      3.381 ppm2      7.868

ASSI {1570}   (( resid 158  and name  HA  ))   (( resid 158  and name  HN  )) 3.213 1.413 1.413 peak 19537 weight  1.00000E+00 volume  4.55965E+05 ppm1      3.379 ppm2      8.967

ASSI {1571}   (( resid 160  and name  HA  ))   (( resid 159  and name  HA  )) 3.568 1.768 1.768 peak 12504 weight  1.00000E+00 volume  1.91580E+05 ppm1      1.051 ppm2      5.271

ASSI {1572}   (( resid 160  and name  HB2 ))   (( resid 159  and name  HA  )) 3.851 2.051 2.051 peak 12748 weight  1.00000E+00 volume  1.13057E+05 ppm1      1.017 ppm2      5.292

ASSI {1573}   (( resid 159  and name  HA  ))   (( resid 159  and name  HD1 )) 3.446 1.746 2.216 peak 12955 weight  1.00000E+00 volume  2.68850E+05 ppm1      1.610 ppm2      5.276 !1

ASSI {1574}   (( resid 159  and name  HA  ))   (( resid 159  and name  HD2 )) 3.389 1.689 2.15 peak 12956 weight  1.00000E+00 volume  3.06634E+05 ppm1      1.566 ppm2      5.279 !1

ASSI {1575}   (( resid 160  and name  HD2 ))   (( resid 159  and name  HA  )) 2.765 0.965 0.965 peak 14015 weight  1.00000E+00 volume  1.67065E+06 ppm1      5.279 ppm2      4.089

ASSI {1576}   (( resid 159  and name  HA  ))   (( resid 159  and name  HB2 )) 2.811 1.01 1.01 peak 14022 weight  1.00000E+00 volume  1.45979E+06 ppm1      5.280 ppm2      1.944

ASSI {1577}   (( resid 159  and name  HA  ))   (( resid 160  and name  HG2 )) 2.941 1.241 1.711 peak 14023 weight  1.00000E+00 volume  9.55876E+05 ppm1      5.284 ppm2      1.750 !1

ASSI {1578}   (( resid 161  and name  HG12))   (( resid 159  and name  HA  )) 3.218 1.518 5.038 peak 14026 weight  1.00000E+00 volume  4.31723E+05 ppm1      5.286 ppm2      1.355 !2

ASSI {1579}   (( resid 159  and name  HG2 ))   (( resid 159  and name  HA  )) 3.438 1.638 1.638 peak 14574 weight  1.00000E+00 volume  2.67011E+05 ppm1      1.324 ppm2      5.275

ASSI {1580}   (( resid 159  and name  HG1 ))   (( resid 159  and name  HA  )) 3.019 1.219 1.219 peak 14575 weight  1.00000E+00 volume  7.89588E+05 ppm1      1.181 ppm2      5.277

ASSI {1581}   (( resid 159  and name  HB1 ))   (( resid 162  and name  HA  )) 3.142 1.442 3.752 peak 14790 weight  1.00000E+00 volume  5.28143E+05 ppm1      4.593 ppm2      1.546 !3

ASSI {1582}   (( resid 159  and name  HA  ))   (( resid 162  and name  HA  )) 3.406 1.706 3.076 peak 14800 weight  1.00000E+00 volume  2.70736E+05 ppm1      4.593 ppm2      5.288 !2

ASSI {1583}   (( resid 159  and name  HA  ))   (( resid 159  and name  HB1 )) 2.854 1.054 1.054 peak 16092 weight  1.00000E+00 volume  1.29366E+06 ppm1      1.560 ppm2      5.273

ASSI {1584}   (( resid 159  and name  HN  ))   (( resid 159  and name  HB1 )) 3.574 1.774 1.774 peak 16096 weight  1.00000E+00 volume  1.84014E+05 ppm1      1.564 ppm2      7.870

ASSI {1585}   (( resid 159  and name  HA  ))   (  resid 161  and name  HG2#) 3.973 2.273 3.483 peak 17050 weight  1.00000E+00 volume  2.64266E+05 ppm1      0.731 ppm2      5.268 !2

ASSI {1586}   (( resid 160  and name  HD1 ))   (( resid 159  and name  HA  )) 2.768 0.968 0.968 peak 18520 weight  1.00000E+00 volume  1.68722E+06 ppm1      3.414 ppm2      5.272

ASSI {1587}   (( resid 159  and name  HA  ))   (( resid 162  and name  HB2 )) 3.712 1.912 1.912 peak 18705 weight  1.00000E+00 volume  1.29666E+05 ppm1      3.127 ppm2      5.279

ASSI {1588}   (( resid 159  and name  HA  ))   (( resid 162  and name  HB1 )) 2.979 1.279 3.759 peak 18706 weight  1.00000E+00 volume  8.34142E+05 ppm1      3.300 ppm2      5.276 !4

ASSI {1589}   (( resid 159  and name  HN  ))   (( resid 162  and name  HB1 )) 3.383 1.583 1.583 peak 18709 weight  1.00000E+00 volume  2.92876E+05 ppm1      3.292 ppm2      7.865

ASSI {1590}   (( resid 159  and name  HN  ))   (( resid 162  and name  HB2 )) 3.461 1.661 1.661 peak 18710 weight  1.00000E+00 volume  2.51581E+05 ppm1      3.140 ppm2      7.871

ASSI {1591}   (( resid 159  and name  HA  ))   (( resid 160  and name  HG1 )) 3.327 1.526 1.526 peak 21796 weight  1.00000E+00 volume  3.39176E+05 ppm1      1.480 ppm2      5.276

ASSI {1592}   (( resid 159  and name  HG2 ))   (( resid 159  and name  HN  )) 3.67 1.87 1.87 peak 22177 weight  1.00000E+00 volume  1.62009E+05 ppm1      1.324 ppm2      7.856

ASSI {1593}   (( resid 160  and name  HA  ))   (( resid 160  and name  HG2 )) 2.964 1.164 1.164 peak 12496 weight  1.00000E+00 volume  9.18191E+05 ppm1      1.058 ppm2      1.750

ASSI {1594}   (( resid 160  and name  HD1 ))   (( resid 160  and name  HA  )) 3.357 1.557 1.557 peak 12499 weight  1.00000E+00 volume  3.14288E+05 ppm1      1.059 ppm2      3.415

ASSI {1595}   (( resid 160  and name  HD2 ))   (( resid 160  and name  HA  )) 3.362 1.562 1.562 peak 12501 weight  1.00000E+00 volume  3.15767E+05 ppm1      1.057 ppm2      4.102

ASSI {1596}   (( resid 160  and name  HA  ))   (( resid 163  and name  HD1 )) 3.872 2.072 2.072 peak 12505 weight  1.00000E+00 volume  1.00436E+05 ppm1      1.054 ppm2      6.184

ASSI {1597}   (( resid 160  and name  HA  ))   (( resid 163  and name  HZ3 )) 3.303 1.603 2.063 peak 12506 weight  1.00000E+00 volume  3.71779E+05 ppm1      1.058 ppm2      6.482 !1

ASSI {1598}   (( resid 160  and name  HA  ))   (( resid 163  and name  HE1 )) 3.921 2.121 2.121 peak 12512 weight  1.00000E+00 volume  8.92655E+04 ppm1      1.047 ppm2      9.766

ASSI {1599}   (( resid 160  and name  HB2 ))   (( resid 161  and name  HN  )) 3.558 1.758 1.758 peak 12754 weight  1.00000E+00 volume  1.88601E+05 ppm1      1.019 ppm2      7.185

ASSI {1600}   (( resid 160  and name  HD2 ))   (( resid 162  and name  HA  )) 3.102 1.402 3.922 peak 14778 weight  1.00000E+00 volume  6.06734E+05 ppm1      4.600 ppm2      4.093 !2

ASSI {1601}   (( resid 160  and name  HB1 ))   (( resid 162  and name  HA  )) 3.15 1.45 4.45 peak 14791 weight  1.00000E+00 volume  5.12118E+05 ppm1      4.590 ppm2      1.501 !2
OR {1601}   (( resid 160  and name  HG1 ))   (( resid 162  and name  HA  ))

ASSI {1602}   (( resid 160  and name  HA  ))   (( resid 162  and name  HA  )) 3.403 1.703 3.443 peak 14794 weight  1.00000E+00 volume  2.79607E+05 ppm1      4.591 ppm2      1.058 !2

ASSI {1603}   (( resid 160  and name  HD1 ))   (( resid 168  and name  HA  )) 3.35 1.65 2.2 peak 15770 weight  1.00000E+00 volume  3.31161E+05 ppm1      4.597 ppm2      3.414 !1

ASSI {1604}   (( resid 160  and name  HA  ))   (( resid 161  and name  HB  )) 3.186 1.486 2.736 peak 16703 weight  1.00000E+00 volume  4.78323E+05 ppm1      1.662 ppm2      1.059 !1

ASSI {1605}   (( resid 160  and name  HB1 ))   (( resid 161  and name  HA  )) 3.017 1.317 2.117 peak 18167 weight  1.00000E+00 volume  8.74993E+05 ppm1      4.195 ppm2      1.495 !1
OR {1605}   (( resid 160  and name  HG1 ))   (( resid 161  and name  HA  ))

ASSI {1606}   (( resid 160  and name  HD2 ))   (( resid 167  and name  HA  )) 3.426 1.726 2.956 peak 18515 weight  1.00000E+00 volume  2.63442E+05 ppm1      4.101 ppm2      4.913 !1

ASSI {1607}   (( resid 160  and name  HD1 ))   (( resid 167  and name  HA  )) 3.596 1.896 2.636 peak 18516 weight  1.00000E+00 volume  1.73103E+05 ppm1      3.413 ppm2      4.916 !1

ASSI {1608}   (  resid 161  and name  HD1#)   (( resid 161  and name  HN  )) 3.344 1.544 1.544 peak 13731 weight  1.00000E+00 volume  1.05416E+06 ppm1      0.736 ppm2      7.163

ASSI {1609}   (  resid 161  and name  HD1#)   (( resid 162  and name  HN  )) 4.439 2.639 2.639 peak 13733 weight  1.00000E+00 volume  9.63439E+04 ppm1      0.731 ppm2      8.163

ASSI {1610}   (( resid 161  and name  HG12))   (( resid 162  and name  HA  )) 3.062 1.362 3.792 peak 14792 weight  1.00000E+00 volume  6.90252E+05 ppm1      4.589 ppm2      1.360 !2

ASSI {1611}   (  resid 161  and name  HD1#)   (( resid 162  and name  HA  )) 3.189 1.389 1.389 peak 14796 weight  1.00000E+00 volume  1.48006E+06 ppm1      4.594 ppm2      0.726
OR {1611}   (  resid 161  and name  HG2#)   (( resid 162  and name  HA  ))

ASSI {1612}   (  resid 161  and name  HD1#)   (( resid 168  and name  HA  )) 3.89 2.09 2.09 peak 15779 weight  1.00000E+00 volume  2.80284E+05 ppm1      4.597 ppm2      0.734
OR {1612}   (( resid 168  and name  HA  ))   (  resid 161  and name  HG2#)

ASSI {1613}   (( resid 161  and name  HB  ))   (( resid 161  and name  HN  )) 2.824 1.023 1.023 peak 16711 weight  1.00000E+00 volume  1.38236E+06 ppm1      1.650 ppm2      7.181

ASSI {1614}   (( resid 161  and name  HB  ))   (( resid 162  and name  HN  )) 3.657 1.857 1.857 peak 16712 weight  1.00000E+00 volume  1.48514E+05 ppm1      1.651 ppm2      8.151

ASSI {1615}   (  resid 161  and name  HG2#)   (( resid 161  and name  HN  )) 2.976 1.176 1.176 peak 17051 weight  1.00000E+00 volume  2.72001E+06 ppm1      0.728 ppm2      7.172

ASSI {1616}   (  resid 161  and name  HG2#)   (( resid 163  and name  HN  )) 4.1 2.3 2.3 peak 17052 weight  1.00000E+00 volume  2.07326E+05 ppm1      0.723 ppm2      7.580

ASSI {1617}   (  resid 161  and name  HG2#)   (( resid 164  and name  HN  )) 3.904 2.104 2.104 peak 17053 weight  1.00000E+00 volume  2.51739E+05 ppm1      0.733 ppm2      7.818

ASSI {1618}   (( resid 161  and name  HA  ))   (( resid 161  and name  HN  )) 2.856 1.055 1.055 peak 18179 weight  1.00000E+00 volume  1.25160E+06 ppm1      4.191 ppm2      7.175

ASSI {1619}   (( resid 161  and name  HA  ))   (( resid 163  and name  HN  )) 3.668 1.868 1.868 peak 18180 weight  1.00000E+00 volume  1.45519E+05 ppm1      4.191 ppm2      7.596

ASSI {1620}   (( resid 161  and name  HG12))   (( resid 161  and name  HN  )) 3.173 1.373 1.373 peak 19199 weight  1.00000E+00 volume  4.83471E+05 ppm1      1.333 ppm2      7.177

ASSI {1621}   (( resid 161  and name  HG11))   (( resid 161  and name  HN  )) 3.244 1.444 1.444 peak 19200 weight  1.00000E+00 volume  4.18825E+05 ppm1      1.257 ppm2      7.177

ASSI {1622}   (  resid 165  and name  HB# )   (( resid 161  and name  HA  )) 3.222 1.422 1.422 peak 19823 weight  1.00000E+00 volume  1.36162E+06 ppm1      0.818 ppm2      4.180

ASSI {1623}   (( resid 166  and name  HA  ))   (  resid 161  and name  HD1#) 3.162 1.362 1.362 peak 20792 weight  1.00000E+00 volume  1.61863E+06 ppm1      4.201 ppm2      0.745
OR {1623}   (( resid 166  and name  HA  ))   (  resid 161  and name  HG2#)

ASSI {1624}   (( resid 165  and name  HA  ))   (( resid 163  and name  HD1 )) 3.442 1.642 1.642 peak 13825 weight  1.00000E+00 volume  2.56107E+05 ppm1      4.504 ppm2      6.204

ASSI {1625}   (( resid 164  and name  HA1 ))   (( resid 163  and name  HA  )) 3.456 1.656 1.656 peak 13933 weight  1.00000E+00 volume  2.49690E+05 ppm1      5.325 ppm2      3.777

ASSI {1626}   (( resid 168  and name  HA  ))   (( resid 163  and name  HH2 )) 3.51 1.71 1.71 peak 15781 weight  1.00000E+00 volume  2.24495E+05 ppm1      4.591 ppm2      6.521

ASSI {1627}   (( resid 163  and name  HB2 ))   (( resid 163  and name  HA  )) 2.92 1.119 1.119 peak 17475 weight  1.00000E+00 volume  1.02921E+06 ppm1      3.283 ppm2      5.316

ASSI {1628}   (( resid 163  and name  HB1 ))   (( resid 163  and name  HA  )) 2.942 1.142 1.142 peak 17476 weight  1.00000E+00 volume  9.63091E+05 ppm1      2.496 ppm2      5.316

ASSI {1629}   (( resid 164  and name  HA1 ))   (( resid 167  and name  HN  )) 3.799 2.099 3.709 peak 14085 weight  1.00000E+00 volume  9.97584E+04 ppm1      3.762 ppm2      7.625 !2

ASSI {1630}   (( resid 166  and name  HA  ))   (( resid 164  and name  HA1 )) 3.208 1.508 4.198 peak 20787 weight  1.00000E+00 volume  4.73474E+05 ppm1      4.202 ppm2      3.754 !2

ASSI {1631}   (  resid 165  and name  HB# )   (( resid 167  and name  HA  )) 3.615 1.815 1.815 peak 15151 weight  1.00000E+00 volume  4.95669E+05 ppm1      4.935 ppm2      0.824

ASSI {1632}   (  resid 165  and name  HB# )   (( resid 168  and name  HA  )) 3.474 1.674 1.674 peak 15778 weight  1.00000E+00 volume  7.19795E+05 ppm1      4.591 ppm2      0.822

ASSI {1633}   (( resid 165  and name  HA  ))   (( resid 167  and name  HB2 )) 3.301 1.601 2.771 peak 17324 weight  1.00000E+00 volume  3.55648E+05 ppm1      3.780 ppm2      4.496 !2

ASSI {1634}   (( resid 165  and name  HA  ))   (( resid 167  and name  HB1 )) 3.313 1.613 3.593 peak 17325 weight  1.00000E+00 volume  3.41075E+05 ppm1      4.149 ppm2      4.516 !2

ASSI {1635}   (( resid 165  and name  HA  ))   (  resid 165  and name  HB# ) 2.796 0.9955 0.9955 peak 19825 weight  1.00000E+00 volume  4.67172E+06 ppm1      0.819 ppm2      4.501

ASSI {1636}   (  resid 165  and name  HB# )   (( resid 167  and name  HN  )) 3.188 1.388 1.388 peak 19832 weight  1.00000E+00 volume  1.47541E+06 ppm1      0.820 ppm2      7.626

ASSI {1637}   (( resid 166  and name  HN  ))   (  resid 165  and name  HB# ) 3.282 1.482 1.482 peak 19833 weight  1.00000E+00 volume  1.14264E+06 ppm1      0.817 ppm2      8.676

ASSI {1638}   (( resid 165  and name  HA  ))   (( resid 166  and name  HA  )) 3.224 1.424 1.424 peak 20784 weight  1.00000E+00 volume  4.90182E+05 ppm1      4.203 ppm2      4.496

ASSI {1639}   (( resid 166  and name  HA  ))   (( resid 165  and name  HN  )) 3.653 1.853 1.853 peak 20797 weight  1.00000E+00 volume  1.68922E+05 ppm1      4.204 ppm2      7.121

ASSI {1640}   (( resid 165  and name  HA  ))   (( resid 167  and name  HN  )) 3.24 1.441 1.441 peak 21951 weight  1.00000E+00 volume  4.26394E+05 ppm1      4.502 ppm2      7.618

ASSI {1641}   (( resid 166  and name  HA  ))   (( resid 167  and name  HN  )) 3.112 1.312 1.312 peak 20798 weight  1.00000E+00 volume  6.15923E+05 ppm1      4.201 ppm2      7.641

ASSI {1642}   (( resid 166  and name  HN  ))   (( resid 166  and name  HA  )) 2.948 1.148 1.148 peak 20799 weight  1.00000E+00 volume  9.49555E+05 ppm1      4.205 ppm2      8.681

ASSI {1643}   (( resid 166  and name  HA  ))   (( resid 167  and name  HA  )) 3.646 1.846 1.846 peak 24269 weight  1.00000E+00 volume  1.56629E+05 ppm1      4.199 ppm2      4.905

ASSI {1644}   (( resid 167  and name  HB1 ))   (( resid 169  and name  HA  )) 3.417 1.617 1.617 peak 11082 weight  1.00000E+00 volume  2.67832E+05 ppm1      4.484 ppm2      4.145

ASSI {1645}   (  resid 169  and name  HB# )   (( resid 167  and name  HA  )) 3.647 1.848 1.848 peak 12564 weight  1.00000E+00 volume  4.93022E+05 ppm1      1.453 ppm2      4.938

ASSI {1646}   (( resid 167  and name  HB1 ))   (( resid 167  and name  HA  )) 2.622 0.822 0.822 peak 15137 weight  1.00000E+00 volume  2.81118E+06 ppm1      4.926 ppm2      4.148

ASSI {1647}   (( resid 167  and name  HB2 ))   (( resid 167  and name  HA  )) 2.619 0.8185 0.8185 peak 15138 weight  1.00000E+00 volume  2.72351E+06 ppm1      4.929 ppm2      3.776

ASSI {1648}   (( resid 167  and name  HA  ))   (( resid 168  and name  HD1 )) 2.49 0.6895 0.6895 peak 15139 weight  1.00000E+00 volume  4.41573E+06 ppm1      4.930 ppm2      3.654

ASSI {1649}   (( resid 167  and name  HB2 ))   (( resid 167  and name  HN  )) 3.143 1.343 1.343 peak 17334 weight  1.00000E+00 volume  5.64001E+05 ppm1      3.774 ppm2      7.639

ASSI {1650}   (( resid 167  and name  HB1 ))   (( resid 167  and name  HN  )) 3.274 1.474 1.474 peak 17335 weight  1.00000E+00 volume  3.93069E+05 ppm1      4.159 ppm2      7.639

ASSI {1651}   (( resid 168  and name  HB2 ))   (( resid 169  and name  HA  )) 3.074 1.274 1.274 peak 11088 weight  1.00000E+00 volume  6.32075E+05 ppm1      4.481 ppm2      1.671
OR {1651}   (( resid 168  and name  HG1 ))   (( resid 169  and name  HA  ))

ASSI {1652}   (( resid 168  and name  HB2 ))   (( resid 168  and name  HA  )) 2.599 0.7985 0.7985 peak 15774 weight  1.00000E+00 volume  2.96501E+06 ppm1      4.595 ppm2      1.680

ASSI {1653}   (( resid 168  and name  HB1 ))   (( resid 168  and name  HA  )) 2.688 0.888 0.888 peak 15776 weight  1.00000E+00 volume  2.20947E+06 ppm1      4.594 ppm2      1.219

ASSI {1654}   (( resid 168  and name  HB1 ))   (( resid 169  and name  HN  )) 4.013 2.213 2.213 peak 18344 weight  1.00000E+00 volume  6.63194E+04 ppm1      1.229 ppm2      7.475

ASSI {1655}   (( resid 168  and name  HB2 ))   (( resid 169  and name  HN  )) 3.409 1.609 1.609 peak 18345 weight  1.00000E+00 volume  2.66924E+05 ppm1      1.669 ppm2      7.474

ASSI {1656}   (( resid 169  and name  HA  ))   (( resid 170  and name  HB  )) 3.015 1.315 2.975 peak 11089 weight  1.00000E+00 volume  7.64272E+05 ppm1      4.479 ppm2      1.615 !2

ASSI {1657}   (  resid 170  and name  HG1#)   (( resid 169  and name  HA  )) 4.027 2.227 2.227 peak 11093 weight  1.00000E+00 volume  2.26605E+05 ppm1      4.476 ppm2      0.468

ASSI {1658}   (( resid 169  and name  HA  ))   (( resid 170  and name  HN  )) 2.747 0.947 0.947 peak 11095 weight  1.00000E+00 volume  1.70956E+06 ppm1      4.483 ppm2      7.299

ASSI {1659}   (( resid 169  and name  HA  ))   (( resid 169  and name  HN  )) 3.426 1.626 1.626 peak 11096 weight  1.00000E+00 volume  2.31907E+05 ppm1      4.481 ppm2      7.472

ASSI {1660}   (  resid 169  and name  HB# )   (( resid 169  and name  HN  )) 2.932 1.132 1.132 peak 12566 weight  1.00000E+00 volume  3.03696E+06 ppm1      1.453 ppm2      7.460

ASSI {1661}   (( resid 172  and name  HA  ))   (  resid 170  and name  HG1#) 4.115 2.415 2.886 peak 10623 weight  1.00000E+00 volume  1.81411E+05 ppm1      4.560 ppm2      0.480 !1

ASSI {1662}   (  resid 170  and name  HG1#)   (( resid 173  and name  HA  )) 4.012 2.312 3.592 peak 10870 weight  1.00000E+00 volume  2.35591E+05 ppm1      0.481 ppm2      6.352 !2

ASSI {1663}   (( resid 171  and name  HB1 ))   (( resid 170  and name  HA  )) 3.609 1.909 3.199 peak 13674 weight  1.00000E+00 volume  1.68143E+05 ppm1      1.485 ppm2      4.458 !2

ASSI {1664}   (( resid 171  and name  HG2 ))   (( resid 170  and name  HA  )) 3.34 1.64 3.329 peak 15851 weight  1.00000E+00 volume  3.13685E+05 ppm1      4.469 ppm2      2.353 !3

ASSI {1665}   (  resid 170  and name  HG2#)   (( resid 170  and name  HA  )) 3.388 1.587 1.587 peak 15856 weight  1.00000E+00 volume  8.72003E+05 ppm1      4.473 ppm2      0.793

ASSI {1666}   (  resid 170  and name  HG1#)   (( resid 170  and name  HA  )) 3.295 1.494 1.494 peak 15858 weight  1.00000E+00 volume  1.12643E+06 ppm1      4.466 ppm2      0.469

ASSI {1667}   (( resid 170  and name  HA  ))   (  resid 98   and name  HD1#) 4.287 2.587 5.187 peak 15859 weight  1.00000E+00 volume  1.36400E+05 ppm1      4.473 ppm2      0.285 !2

ASSI {1668}   (( resid 170  and name  HA  ))   (( resid 171  and name  HA  )) 3.595 1.795 1.795 peak 15861 weight  1.00000E+00 volume  1.77031E+05 ppm1      4.470 ppm2      4.759

ASSI {1669}   (( resid 170  and name  HA  ))   (( resid 170  and name  HN  )) 3.492 1.792 2.692 peak 15865 weight  1.00000E+00 volume  2.26066E+05 ppm1      4.477 ppm2      7.299 !1

ASSI {1670}   (( resid 170  and name  HA  ))   (( resid 171  and name  HN  )) 2.995 1.195 1.195 peak 15868 weight  1.00000E+00 volume  7.96266E+05 ppm1      4.468 ppm2      8.538

ASSI {1671}   (( resid 170  and name  HA  ))   (( resid 172  and name  HN  )) 3.433 1.733 3.413 peak 15869 weight  1.00000E+00 volume  2.43732E+05 ppm1      4.469 ppm2      8.354 !2

ASSI {1672}   (( resid 170  and name  HA  ))   (( resid 170  and name  HB  )) 3.006 1.207 1.207 peak 19261 weight  1.00000E+00 volume  7.84844E+05 ppm1      1.604 ppm2      4.454

ASSI {1673}   (( resid 170  and name  HB  ))   (( resid 171  and name  HN  )) 3.179 1.38 1.38 peak 19267 weight  1.00000E+00 volume  4.77926E+05 ppm1      1.610 ppm2      8.534

ASSI {1674}   (( resid 171  and name  HG2 ))   (( resid 171  and name  HA  )) 2.817 1.017 1.017 peak 12453 weight  1.00000E+00 volume  1.35990E+06 ppm1      2.332 ppm2      4.757

ASSI {1675}   (( resid 171  and name  HG2 ))   (( resid 172  and name  HN  )) 3.23 1.43 1.43 peak 12462 weight  1.00000E+00 volume  4.08050E+05 ppm1      2.335 ppm2      8.360

ASSI {1676}   (( resid 171  and name  HB1 ))   (( resid 171  and name  HA  )) 3.371 1.571 1.571 peak 13676 weight  1.00000E+00 volume  3.02179E+05 ppm1      1.476 ppm2      4.743

ASSI {1677}   (  resid 98   and name  HG2#)   (( resid 171  and name  HA  )) 3.089 1.389 4.579 peak 20387 weight  1.00000E+00 volume  1.99610E+06 ppm1      0.413 ppm2      4.762 !3

ASSI {1678}   (( resid 172  and name  HA  ))   (( resid 173  and name  HA  )) 3.449 1.649 1.649 peak 10636 weight  1.00000E+00 volume  2.48873E+05 ppm1      4.564 ppm2      6.377

ASSI {1679}   (( resid 172  and name  HA  ))   (  resid 98   and name  HG2#) 4.012 2.312 3.482 peak 20385 weight  1.00000E+00 volume  2.36730E+05 ppm1      0.410 ppm2      4.562 !1

ASSI {1680}   (  resid 172  and name  HB# )   (( resid 173  and name  HA  )) 3.723 1.923 1.923 peak 20621 weight  1.00000E+00 volume  1.29205E+05 ppm1      6.372 ppm2      4.195

ASSI {1681}   (( resid 172  and name  HA  ))   (  resid 172  and name  HB# ) 2.799 0.999 0.999 peak 21053 weight  1.00000E+00 volume  1.43182E+06 ppm1      4.557 ppm2      4.227

ASSI {1682}   (( resid 173  and name  HA  ))   (( resid 174  and name  HG2 )) 3.412 1.611 1.611 peak 12202 weight  1.00000E+00 volume  2.80908E+05 ppm1      1.277 ppm2      6.378

ASSI {1683}   (( resid 173  and name  HA  ))   (( resid 174  and name  HG1 )) 3.543 1.744 1.744 peak 14506 weight  1.00000E+00 volume  1.99467E+05 ppm1      1.546 ppm2      6.374

ASSI {1684}   (( resid 174  and name  HB1 ))   (( resid 173  and name  HA  )) 3.344 1.544 1.544 peak 15423 weight  1.00000E+00 volume  3.13957E+05 ppm1      1.733 ppm2      6.371

ASSI {1685}   (( resid 174  and name  HB2 ))   (( resid 173  and name  HA  )) 3.411 1.711 2.391 peak 15424 weight  1.00000E+00 volume  2.71580E+05 ppm1      1.666 ppm2      6.370 !1

ASSI {1686}   (( resid 174  and name  HD1 ))   (( resid 173  and name  HA  )) 3.128 1.428 2.509 peak 16590 weight  1.00000E+00 volume  5.75928E+05 ppm1      2.166 ppm2      6.369 !1

ASSI {1687}   (( resid 173  and name  HB1 ))   (( resid 174  and name  HA  )) 3.537 1.837 2.186 peak 18072 weight  1.00000E+00 volume  2.05841E+05 ppm1      5.264 ppm2      3.517 !1

ASSI {1688}   (( resid 173  and name  HA  ))   (( resid 173  and name  HB2 )) 3.196 1.396 1.396 peak 20622 weight  1.00000E+00 volume  4.79909E+05 ppm1      6.369 ppm2      3.736

ASSI {1689}   (( resid 173  and name  HA  ))   (( resid 173  and name  HB1 )) 3.018 1.217 1.217 peak 20623 weight  1.00000E+00 volume  7.71579E+05 ppm1      6.368 ppm2      3.507

ASSI {1690}   (( resid 175  and name  HB1 ))   (( resid 174  and name  HA  )) 3.792 1.992 1.992 peak 11676 weight  1.00000E+00 volume  1.15618E+05 ppm1      0.808 ppm2      5.264

ASSI {1691}   (  resid 175  and name  HD# )   (( resid 174  and name  HA  )) 3.325 1.625 2.195 peak 11843 weight  1.00000E+00 volume  3.17087E+05 ppm1      2.804 ppm2      5.245 !1

ASSI {1692}   (( resid 174  and name  HG2 ))   (( resid 174  and name  HA  )) 3.323 1.523 1.523 peak 12201 weight  1.00000E+00 volume  3.52268E+05 ppm1      1.286 ppm2      5.248

ASSI {1693}   (( resid 174  and name  HG1 ))   (( resid 175  and name  HN  )) 3.69 1.89 1.89 peak 14513 weight  1.00000E+00 volume  1.37984E+05 ppm1      1.547 ppm2      8.505

ASSI {1694}   (( resid 174  and name  HG2 ))   (( resid 175  and name  HN  )) 3.438 1.738 2.148 peak 14514 weight  1.00000E+00 volume  2.73853E+05 ppm1      1.288 ppm2      8.503 !1

ASSI {1695}   (( resid 174  and name  HB1 ))   (( resid 174  and name  HA  )) 3.043 1.243 1.243 peak 15420 weight  1.00000E+00 volume  7.18031E+05 ppm1      1.733 ppm2      5.247

ASSI {1696}   (( resid 174  and name  HB1 ))   (( resid 175  and name  HN  )) 3.279 1.478 1.478 peak 15428 weight  1.00000E+00 volume  3.70291E+05 ppm1      1.735 ppm2      8.485

ASSI {1697}   (( resid 174  and name  HB2 ))   (( resid 175  and name  HN  )) 3.304 1.504 1.504 peak 15429 weight  1.00000E+00 volume  3.54319E+05 ppm1      1.667 ppm2      8.488

ASSI {1698}   (( resid 174  and name  HB2 ))   (( resid 174  and name  HN  )) 3.66 1.86 1.86 peak 15433 weight  1.00000E+00 volume  1.56101E+05 ppm1      1.667 ppm2      9.540

ASSI {1699}   (( resid 174  and name  HD1 ))   (( resid 174  and name  HA  )) 3.634 1.834 1.834 peak 16584 weight  1.00000E+00 volume  1.56930E+05 ppm1      2.168 ppm2      5.245

ASSI {1700}   (( resid 174  and name  HD2 ))   (( resid 174  and name  HA  )) 3.295 1.495 1.495 peak 16585 weight  1.00000E+00 volume  3.56522E+05 ppm1      2.377 ppm2      5.257

ASSI {1701}   (( resid 174  and name  HG1 ))   (( resid 174  and name  HA  )) 3.167 1.367 1.367 peak 18078 weight  1.00000E+00 volume  4.95204E+05 ppm1      5.255 ppm2      1.548

ASSI {1702}   (( resid 175  and name  HN  ))   (( resid 174  and name  HA  )) 3.07 1.27 1.27 peak 18092 weight  1.00000E+00 volume  6.52229E+05 ppm1      5.258 ppm2      8.483

ASSI {1703}   (( resid 176  and name  HG11))   (( resid 175  and name  HA  )) 3.644 1.845 1.845 peak 11559 weight  1.00000E+00 volume  1.72504E+05 ppm1      0.889 ppm2      3.572

ASSI {1704}   (( resid 175  and name  HB1 ))   (( resid 175  and name  HA  )) 3.619 1.819 1.819 peak 11674 weight  1.00000E+00 volume  1.69383E+05 ppm1      0.804 ppm2      3.561

ASSI {1705}   (( resid 175  and name  HB2 ))   (( resid 175  and name  HA  )) 3.534 1.734 1.734 peak 11675 weight  1.00000E+00 volume  2.03907E+05 ppm1      0.166 ppm2      3.562

ASSI {1706}   (( resid 175  and name  HB1 ))   (( resid 175  and name  HN  )) 3.603 1.803 1.803 peak 11685 weight  1.00000E+00 volume  1.69824E+05 ppm1      0.802 ppm2      8.480

ASSI {1707}   (( resid 175  and name  HB2 ))   (( resid 175  and name  HN  )) 3.595 1.794 1.794 peak 11686 weight  1.00000E+00 volume  1.81017E+05 ppm1      0.163 ppm2      8.488

ASSI {1708}   (  resid 175  and name  HD# )   (( resid 175  and name  HN  )) 3.264 1.464 1.464 peak 11847 weight  1.00000E+00 volume  3.54832E+05 ppm1      2.804 ppm2      8.483

ASSI {1709}   (( resid 176  and name  HA  ))   (( resid 175  and name  HA  )) 3.221 1.421 1.421 peak 11988 weight  1.00000E+00 volume  4.46861E+05 ppm1      4.050 ppm2      3.572

ASSI {1710}   (  resid 175  and name  HD# )   (( resid 175  and name  HA  )) 3.75 1.95 1.95 peak 13625 weight  1.00000E+00 volume  1.27609E+05 ppm1      3.562 ppm2      2.788

ASSI {1711}   (( resid 176  and name  HB  ))   (( resid 175  and name  HA  )) 3.326 1.526 1.526 peak 13627 weight  1.00000E+00 volume  3.44411E+05 ppm1      3.575 ppm2      1.635

ASSI {1712}   (( resid 176  and name  HG12))   (( resid 175  and name  HA  )) 3.468 1.667 1.667 peak 13628 weight  1.00000E+00 volume  2.34373E+05 ppm1      3.564 ppm2      1.385

ASSI {1713}   (( resid 176  and name  HA  ))   (( resid 176  and name  HG11)) 3.083 1.284 1.284 peak 11565 weight  1.00000E+00 volume  6.27464E+05 ppm1      0.881 ppm2      4.043

ASSI {1714}   (( resid 176  and name  HA  ))   (( resid 176  and name  HB  )) 2.997 1.197 1.197 peak 11991 weight  1.00000E+00 volume  8.18685E+05 ppm1      4.050 ppm2      1.628

ASSI {1715}   (( resid 176  and name  HA  ))   (( resid 176  and name  HG12)) 2.979 1.179 1.179 peak 11992 weight  1.00000E+00 volume  8.86274E+05 ppm1      4.051 ppm2      1.382

ASSI {1716}   (( resid 177  and name  HA  ))   (  resid 176  and name  HG2#) 3.557 1.757 1.757 peak 12417 weight  1.00000E+00 volume  6.04223E+05 ppm1      0.766 ppm2      4.201

ASSI {1717}   (  resid 176  and name  HG2#)   (( resid 176  and name  HN  )) 3.425 1.625 1.625 peak 12422 weight  1.00000E+00 volume  8.54706E+05 ppm1      0.761 ppm2      7.884

ASSI {1718}   (  resid 177  and name  HG# )   (( resid 176  and name  HA  )) 3.109 1.308 1.308 peak 15559 weight  1.00000E+00 volume  1.98031E+06 ppm1      0.575 ppm2      4.043

ASSI {1719}   (( resid 177  and name  HB  ))   (( resid 176  and name  HA  )) 3.079 1.379 2.848 peak 15895 weight  1.00000E+00 volume  5.97642E+05 ppm1      1.984 ppm2      4.060 !1

ASSI {1720}   (  resid 176  and name  HD1#)   (( resid 47   and name  HN  )) 4.117 2.417 2.817 peak 17455 weight  1.00000E+00 volume  1.87811E+05 ppm1      0.652 ppm2      8.595 !1

ASSI {1721}   (( resid 177  and name  HA  ))   (( resid 176  and name  HB  )) 2.521 0.821 2.531 peak 18162 weight  1.00000E+00 volume  4.15166E+06 ppm1      4.189 ppm2      1.645 !2

ASSI {1722}   (( resid 177  and name  HB  ))   (( resid 177  and name  HA  )) 2.61 0.8095 0.8095 peak 15894 weight  1.00000E+00 volume  2.87972E+06 ppm1      1.983 ppm2      4.179

ASSI {1723}   (( resid 177  and name  HB  ))   (( resid 178  and name  HN  )) 2.859 1.159 1.589 peak 15896 weight  1.00000E+00 volume  1.19468E+06 ppm1      1.985 ppm2      7.907 !1

ASSI {1724}   (( resid 177  and name  HB  ))   (( resid 177  and name  HN  )) 3.064 1.264 1.264 peak 15897 weight  1.00000E+00 volume  6.47992E+05 ppm1      1.982 ppm2      8.074

ASSI {1725}   (  resid 177  and name  HG# )   (( resid 177  and name  HA  )) 2.841 1.042 1.042 peak 18173 weight  1.00000E+00 volume  4.04329E+06 ppm1      4.190 ppm2      0.576

ASSI {1726}   (( resid 178  and name  HA  ))   (  resid 177  and name  HG# ) 3.181 1.381 1.381 peak 20081 weight  1.00000E+00 volume  1.58616E+06 ppm1      4.092 ppm2      0.584

ASSI {1727}   (( resid 178  and name  HA  ))   (( resid 177  and name  HN  )) 3.146 1.446 2.516 peak 20083 weight  1.00000E+00 volume  4.91619E+05 ppm1      4.092 ppm2      8.077 !1

ASSI {1728}   (( resid 178  and name  HA  ))   (( resid 178  and name  HB2 )) 2.598 0.7975 0.7975 peak 11373 weight  1.00000E+00 volume  2.94080E+06 ppm1      1.839 ppm2      4.098

ASSI {1729}   (( resid 178  and name  HB2 ))   (( resid 178  and name  HN  )) 2.931 1.131 1.131 peak 11375 weight  1.00000E+00 volume  9.74933E+05 ppm1      1.838 ppm2      7.916

ASSI {1730}   (( resid 178  and name  HG2 ))   (( resid 178  and name  HN  )) 3.169 1.469 2.269 peak 17356 weight  1.00000E+00 volume  5.02458E+05 ppm1      2.206 ppm2      7.925 !1

ASSI {1731}   (( resid 178  and name  HG1 ))   (( resid 178  and name  HN  )) 3.307 1.607 2.057 peak 17357 weight  1.00000E+00 volume  3.31688E+05 ppm1      2.161 ppm2      7.925 !1

ASSI {1732}   (( resid 178  and name  HA  ))   (( resid 178  and name  HG1 )) 2.504 0.804 1.954 peak 20077 weight  1.00000E+00 volume  4.33955E+06 ppm1      4.093 ppm2      2.169 !2

ASSI {1733}   (( resid 178  and name  HA  ))   (  resid 88   and name  HD2#) 3.051 1.351 2.881 peak 20532 weight  1.00000E+00 volume  2.27495E+06 ppm1      0.790 ppm2      4.103 !2

!ASSI {1734}   (( resid 30   and name  HB2 ))   (( resid 27   and name  HA  )) 3.48 1.78 5.04 peak 18973 weight  1.00000E+00 volume  2.24633E+05 ppm1      5.019 ppm2      2.922 !4

!ASSI {1735}   (  resid 133  and name  HD# )   (( resid 154  and name  HN  )) 3.949 2.249 4.089 peak 18680 weight  1.00000E+00 volume  2.61988E+05 ppm1      0.752 ppm2      8.308 !3

!ASSI {1736}   (( resid 20   and name  HA  ))   (( resid 13   and name  HB1 )) 3.711 2.011 6.271 peak 16795 weight  1.00000E+00 volume  1.31116E+05 ppm1      5.716 ppm2      2.357 !3

!ASSI {1737}   (( resid 78   and name  HB2 ))   (( resid 71   and name  HA  )) 3.691 1.991 5.83 peak 15746 weight  1.00000E+00 volume  1.52072E+05 ppm1      3.818 ppm2      3.122 !3

!ASSI {1738}   (( resid 141  and name  HG1 ))   (( resid 148  and name  HA  )) 3.627 1.927 4.857 peak 17871 weight  1.00000E+00 volume  1.64832E+05 ppm1      2.650 ppm2      4.085 !3

!ASSI {1739}   (  resid 170  and name  HG1#)   (( resid 99   and name  HN  )) 3.878 2.178 4.958 peak 10875 weight  1.00000E+00 volume  3.30363E+05 ppm1      0.476 ppm2      8.090 !4

!ASSI {1740}   (( resid 7    and name  HA  ))   (  resid 40   and name  HG2#) 4.032 2.332 4.012 peak 17667 weight  1.00000E+00 volume  2.14707E+05 ppm1      5.000 ppm2      0.254 !2

!ASSI {1741}   (( resid 63   and name  HA  ))   (( resid 44   and name  HA2 )) 3.859 2.159 6.208 peak 18776 weight  1.00000E+00 volume  9.92371E+04 ppm1      4.086 ppm2      5.065 !3

!ASSI {1742}   (( resid 88   and name  HA  ))   (( resid 45   and name  HA1 )) 3.584 1.884 4.974 peak 19588 weight  1.00000E+00 volume  1.82704E+05 ppm1      4.541 ppm2      3.852 !3

!ASSI {1743}   (( resid 79   and name  HD2 ))   (( resid 81   and name  HA  )) 3.442 1.742 4.602 peak 16691 weight  1.00000E+00 volume  2.63510E+05 ppm1      3.368 ppm2      3.177 !4

!ASSI {1744}   (( resid 109  and name  HA  ))   (( resid 124  and name  HG2 )) 3.584 1.884 5.074 peak 19915 weight  1.00000E+00 volume  1.85078E+05 ppm1      2.564 ppm2      4.594 !3

!ASSI {1745}   (( resid 96   and name  HG11))   (( resid 110  and name  HN  )) 3.607 1.907 4.857 peak 11296 weight  1.00000E+00 volume  1.75402E+05 ppm1      0.149 ppm2      8.822 !3

!ASSI {1746}   (( resid 141  and name  HA  ))   (( resid 148  and name  HB1 )) 3.485 1.785 4.595 peak 11961 weight  1.00000E+00 volume  2.20547E+05 ppm1      1.666 ppm2      4.423 !2

!ASSI {1747}   (( resid 172  and name  HA  ))   (( resid 143  and name  HD2 )) 2.562 0.862 6.592 peak 22787 weight  1.00000E+00 volume  3.31484E+06 ppm1      3.620 ppm2      4.543 !4

!ASSI {1748}   (  resid 176  and name  HD1#)   (( resid 152  and name  HN  )) 4.12 2.42 3.91 peak 17457 weight  1.00000E+00 volume  1.84329E+05 ppm1      0.650 ppm2      9.330 !2

!ASSI {1749}   (( resid 131  and name  HB2 ))   (( resid 156  and name  HA  )) 3.335 1.635 4.785 peak 12225 weight  1.00000E+00 volume  3.25396E+05 ppm1      1.877 ppm2      3.948 !3

!ASSI {1750}   (( resid 10   and name  HA  ))   (( resid 67   and name  HB1 )) 3.681 1.981 4.601 peak 16894 weight  1.00000E+00 volume  1.40881E+05 ppm1      3.813 ppm2      4.631 !3

!ASSI {1751}   (( resid 34   and name  HB2 ))   (( resid 19   and name  HA  )) 3.376 1.676 5.006 peak 18732 weight  1.00000E+00 volume  2.97956E+05 ppm1      4.199 ppm2      1.290 !4

!ASSI {1752}   (( resid 24   and name  HA  ))   (( resid 44   and name  HA2 )) 3.014 1.314 6.805 peak 17070 weight  1.00000E+00 volume  7.22000E+05 ppm1      5.277 ppm2      4.090 !4

!ASSI {1753}   (( resid 7    and name  HA  ))   (( resid 43   and name  HG2 )) 3.413 1.713 5.024 peak 17659 weight  1.00000E+00 volume  2.63737E+05 ppm1      5.000 ppm2      2.224 !3

!ASSI {1754}   (( resid 47   and name  HA  ))   (  resid 84   and name  HD# ) 3.502 1.802 4.572 peak 22856 weight  1.00000E+00 volume  2.17546E+05 ppm1      2.380 ppm2      4.811 !3

!ASSI {1755}   (( resid 102  and name  HA1 ))   (( resid 106  and name  HN  )) 2.895 1.195 6.995 peak 14839 weight  1.00000E+00 volume  9.60026E+05 ppm1      3.841 ppm2      8.372 !3

!ASSI {1756}   (( resid 135  and name  HA1 ))   (( resid 86   and name  HA  )) 3.476 1.776 5.806 peak 19404 weight  1.00000E+00 volume  2.39198E+05 ppm1      3.666 ppm2      3.234 !3

!ASSI {1757}   (( resid 141  and name  HG2 ))   (( resid 167  and name  HA  )) 2.942 1.242 7.002 peak 15144 weight  1.00000E+00 volume  9.58950E+05 ppm1      4.934 ppm2      2.349 !4

!ASSI {1758}   (( resid 61   and name  HB  ))   (( resid 150  and name  HA  )) 3.015 1.315 5.435 peak 18027 weight  1.00000E+00 volume  7.37996E+05 ppm1      4.940 ppm2      2.052 !3

!ASSI {1759}   (  resid 56   and name  HB# )   (( resid 51   and name  HA  )) 3.588 1.888 4.588 peak 16055 weight  1.00000E+00 volume  5.62506E+05 ppm1      1.258 ppm2      4.725 !3

!ASSI {1760}   (  resid 152  and name  HD# )   (( resid 162  and name  HA  )) 4.41 2.71 3.761 peak 14799 weight  1.00000E+00 volume  1.05079E+05 ppm1      4.592 ppm2     -0.576 !2

!ASSI {1761}   (( resid 100  and name  HG2 ))   (( resid 108  and name  HA  )) 3.072 1.372 5.922 peak 17876 weight  1.00000E+00 volume  6.53282E+05 ppm1      2.332 ppm2      4.962 !2

!ASSI {1762}   (( resid 130  and name  HB2 ))   (( resid 110  and name  HA  )) 3.297 1.597 4.817 peak 13333 weight  1.00000E+00 volume  3.84830E+05 ppm1      3.045 ppm2      5.439 !3

!ASSI {1763}   (  resid 170  and name  HG1#)   (( resid 146  and name  HN  )) 3.385 1.685 5.995 peak 10868 weight  1.00000E+00 volume  9.26620E+05 ppm1      0.475 ppm2      6.146 !4

!ASSI {1764}   (( resid 96   and name  HG11))   (( resid 156  and name  HA  )) 3.689 1.989 4.639 peak 11287 weight  1.00000E+00 volume  1.53160E+05 ppm1      0.154 ppm2      3.947 !3

!ASSI {1765}   (( resid 100  and name  HG1 ))   (( resid 108  and name  HA  )) 3.614 1.914 4.954 peak 14332 weight  1.00000E+00 volume  1.70700E+05 ppm1      4.940 ppm2      2.700 !2

!ASSI {1766}   (( resid 101  and name  HG1 ))   (( resid 108  and name  HA  )) 3.595 1.895 4.675 peak 14339 weight  1.00000E+00 volume  1.78167E+05 ppm1      4.939 ppm2      1.195 !3

!ASSI {1767}   (( resid 157  and name  HB2 ))   (( resid 103  and name  HA  )) 3.484 1.784 5.704 peak 18133 weight  1.00000E+00 volume  2.30253E+05 ppm1      3.080 ppm2      2.785 !2

!ASSI {1768}   (( resid 141  and name  HA  ))   (( resid 127  and name  HN  )) 3.362 1.662 4.732 peak 15889 weight  1.00000E+00 volume  3.19595E+05 ppm1      4.411 ppm2      8.116 !3

!ASSI {1769}   (( resid 151  and name  HG  ))   (( resid 176  and name  HN  )) 3.468 1.768 6.937 peak 18210 weight  1.00000E+00 volume  2.33807E+05 ppm1      1.360 ppm2      7.877 !4

!ASSI {1770}   (( resid 96   and name  HG12))   (( resid 156  and name  HA  )) 3.629 1.929 6.159 peak 11286 weight  1.00000E+00 volume  1.56457E+05 ppm1      0.896 ppm2      3.957 !3

!ASSI {1771}   (  resid 49   and name  HG1#)   (( resid 86   and name  HA  )) 4.368 2.668 4.578 peak 23772 weight  1.00000E+00 volume  1.04636E+05 ppm1      3.681 ppm2      1.094 !2

!ASSI {1772}   (( resid 137  and name  HB1 ))   (( resid 174  and name  HA  )) 3.514 1.814 6.154 peak 18074 weight  1.00000E+00 volume  2.07692E+05 ppm1      5.263 ppm2      3.060 !4

!ASSI {1773}   (( resid 69   and name  HG2 ))   (( resid 38   and name  HN  )) 3.288 1.588 5.819 peak 17997 weight  1.00000E+00 volume  3.64533E+05 ppm1      1.948 ppm2      8.488 !3

!ASSI {1774}   (( resid 52   and name  HD1 ))   (( resid 80   and name  HA  )) 3.756 2.056 4.916 peak 18055 weight  1.00000E+00 volume  1.31569E+05 ppm1      2.988 ppm2      4.971 !3

!ASSI {1775}   (( resid 83   and name  HB2 ))   (( resid 53   and name  HA  )) 3.074 1.374 6.654 peak 14578 weight  1.00000E+00 volume  6.58186E+05 ppm1      3.962 ppm2      3.715 !3

!ASSI {1776}   (  resid 172  and name  HB# )   (( resid 146  and name  HA  )) 3.332 1.632 4.682 peak 17337 weight  1.00000E+00 volume  3.75992E+05 ppm1      4.859 ppm2      4.201 !3

!ASSI {1777}   (( resid 148  and name  HD2 ))   (( resid 150  and name  HA  )) 3.036 1.336 5.176 peak 18023 weight  1.00000E+00 volume  6.89537E+05 ppm1      4.934 ppm2      3.106 !3

!ASSI {1778}   (  resid 152  and name  HD# )   (( resid 149  and name  HA  )) 3.499 1.799 6.449 peak 15475 weight  1.00000E+00 volume  7.03981E+05 ppm1     -0.557 ppm2      4.875 !3

!ASSI {1779}   (( resid 71   and name  HB1 ))   (( resid 76   and name  HA  )) 3.532 1.832 5.572 peak 20607 weight  1.00000E+00 volume  1.95254E+05 ppm1      4.331 ppm2      1.840 !3

!ASSI {1780}   (( resid 104  and name  HB2 ))   (( resid 156  and name  HA  )) 2.937 1.237 7.897 peak 15307 weight  1.00000E+00 volume  1.05624E+06 ppm1      3.941 ppm2      2.074 !3

!ASSI {1781}   (( resid 165  and name  HA  ))   (( resid 141  and name  HB1 )) 3.615 1.915 5.555 peak 13820 weight  1.00000E+00 volume  1.75181E+05 ppm1      4.506 ppm2      2.551 !3

!ASSI {1782}   (( resid 151  and name  HB2 ))   (( resid 47   and name  HA  )) 3.299 1.599 6.339 peak 18583 weight  1.00000E+00 volume  3.37066E+05 ppm1      4.815 ppm2      1.890 !3

!ASSI {1783}   (  resid 152  and name  HD# )   (( resid 160  and name  HA  )) 3.433 1.733 4.673 peak 15464 weight  1.00000E+00 volume  7.28483E+05 ppm1     -0.570 ppm2      1.070 !3

!ASSI {1784}   (( resid 69   and name  HG1 ))   (( resid 38   and name  HN  )) 3.28 1.58 6.71 peak 17996 weight  1.00000E+00 volume  3.71640E+05 ppm1      2.068 ppm2      8.490 !3

!ASSI {1785}   (( resid 76   and name  HA  ))   (( resid 70   and name  HB1 )) 3.521 1.821 5.341 peak 20606 weight  1.00000E+00 volume  1.95333E+05 ppm1      4.322 ppm2      2.312 !3

!ASSI {1786}   (( resid 124  and name  HB1 ))   (( resid 120  and name  HA  )) 2.672 0.972 6.882 peak 13514 weight  1.00000E+00 volume  2.30453E+06 ppm1      3.880 ppm2      2.191 !2

!ASSI {1787}   (  resid 127  and name  HG2#)   (( resid 140  and name  HN  )) 3.583 1.883 4.593 peak 21092 weight  1.00000E+00 volume  5.99374E+05 ppm1      1.008 ppm2      8.970 !3

!ASSI {1788}   (( resid 160  and name  HD1 ))   (( resid 166  and name  HA  )) 3.669 1.969 5.159 peak 20789 weight  1.00000E+00 volume  1.51199E+05 ppm1      4.192 ppm2      3.424 !3

!ASSI {1789}   (( resid 165  and name  HA  ))   (( resid 168  and name  HD1 )) 3.42 1.72 5.009 peak 13824 weight  1.00000E+00 volume  2.41891E+05 ppm1      4.502 ppm2      3.662 !3

!ASSI {1790}   (( resid 81   and name  HB1 ))   (( resid 58   and name  HN  )) 3.971 2.271 5.001 peak 19174 weight  1.00000E+00 volume  8.65965E+04 ppm1      3.328 ppm2      8.294 !2

!ASSI {1791}   (  resid 28   and name  HB# )   (( resid 26   and name  HN  )) 3.87 2.17 4.81 peak 21108 weight  1.00000E+00 volume  3.11352E+05 ppm1      1.376 ppm2      8.160 !3

!ASSI {1792}   (  resid 84   and name  HB# )   (( resid 28   and name  HN  )) 3.569 1.869 5.199 peak 11869 weight  1.00000E+00 volume  1.98441E+05 ppm1      1.693 ppm2      9.241 !3

!ASSI {1793}   (( resid 77   and name  HA  ))   (( resid 38   and name  HA  )) 3.492 1.792 5.162 peak 15058 weight  1.00000E+00 volume  2.28217E+05 ppm1      5.293 ppm2      3.610 !3

!ASSI {1794}   (( resid 41   and name  HA  ))   (( resid 73   and name  HB1 )) 3.725 2.025 4.845 peak 12361 weight  1.00000E+00 volume  1.45605E+05 ppm1      2.564 ppm2      4.980 !3

!ASSI {1795}   (( resid 52   and name  HD2 ))   (( resid 80   and name  HA  )) 3.788 2.088 5.149 peak 18056 weight  1.00000E+00 volume  1.21520E+05 ppm1      3.084 ppm2      4.962 !3

!ASSI {1796}   (  resid 9    and name  HG2#)   (( resid 68   and name  HA  )) 3.405 1.705 4.835 peak 11727 weight  1.00000E+00 volume  6.42185E+05 ppm1      0.549 ppm2      3.670 !3

!ASSI {1797}   (( resid 116  and name  HD1 ))   (( resid 113  and name  HA  )) 3.559 1.859 4.759 peak 22432 weight  1.00000E+00 volume  1.97652E+05 ppm1      3.970 ppm2      4.738 !3

!ASSI {1798}   (( resid 117  and name  HA  ))   (  resid 142  and name  HD2#) 3.481 1.781 5.401 peak 21297 weight  1.00000E+00 volume  7.26654E+05 ppm1      0.892 ppm2      4.936 !3

!ASSI {1799}   (( resid 172  and name  HA  ))   (( resid 174  and name  HG1 )) 3.189 1.489 5.739 peak 10626 weight  1.00000E+00 volume  4.76653E+05 ppm1      4.559 ppm2      1.542 !3

!ASSI {1800}   (( resid 85   and name  HA  ))   (( resid 23   and name  HB2 )) 3.072 1.372 7.882 peak 13320 weight  1.00000E+00 volume  6.59793E+05 ppm1      3.044 ppm2      3.213 !4

!ASSI {1801}   (( resid 85   and name  HA  ))   (( resid 23   and name  HB1 )) 3.322 1.622 6.892 peak 13321 weight  1.00000E+00 volume  3.47938E+05 ppm1      2.450 ppm2      3.228 !3

!ASSI {1802}   (( resid 108  and name  HA  ))   (( resid 129  and name  HB2 )) 3.431 1.731 7.221 peak 14328 weight  1.00000E+00 volume  2.58164E+05 ppm1      4.938 ppm2      4.307 !4

!ASSI {1803}   (( resid 115  and name  HB2 ))   (( resid 122  and name  HA  )) 3.24 1.54 7.531 peak 10702 weight  1.00000E+00 volume  4.17723E+05 ppm1      4.382 ppm2      1.015 !4

!ASSI {1804}   (  resid 136  and name  HG2#)   (( resid 174  and name  HN  )) 3.76 2.06 6.35 peak 21156 weight  1.00000E+00 volume  3.92986E+05 ppm1      0.892 ppm2      9.555 !2

!ASSI {1805}   (  resid 170  and name  HG1#)   (( resid 174  and name  HA  )) 4.19 2.49 5.91 peak 10864 weight  1.00000E+00 volume  1.68632E+05 ppm1      0.474 ppm2      5.259 !3

ASSI {0}   (  resid 4    and name  HG2#)   (  resid 1    and name  HA# ) 4.067 2.367 3.568 peak 18968 weight  1.00000E+00 volume  2.08781E+05 ppm1      3.897 ppm2      1.237 !2

ASSI {1}   (( resid 3    and name  HG1 ))   (  resid 1    and name  HA# ) 3.407 1.707 4.037 peak 18969 weight  1.00000E+00 volume  2.80422E+05 ppm1      3.898 ppm2      1.428 !2

ASSI {2}   (( resid 3    and name  HG1 ))   (( resid 2    and name  HB1 )) 3.357 1.657 2.078 peak 18752 weight  1.00000E+00 volume  3.13611E+05 ppm1      3.894 ppm2      1.440 !1

ASSI {3}   (( resid 3    and name  HG2 ))   (( resid 2    and name  HB2 )) 3.511 1.811 2.221 peak 18753 weight  1.00000E+00 volume  2.16081E+05 ppm1      3.858 ppm2      1.480 !1

ASSI {4}   (( resid 3    and name  HG1 ))   (( resid 2    and name  HB2 )) 3.485 1.685 1.685 peak 18754 weight  1.00000E+00 volume  2.14525E+05 ppm1      3.859 ppm2      1.440

ASSI {5}   (( resid 3    and name  HG2 ))   (( resid 2    and name  HB1 )) 3.375 1.675 2.735 peak 18755 weight  1.00000E+00 volume  2.92763E+05 ppm1      3.894 ppm2      1.473 !2

ASSI {6}   (( resid 3    and name  HB1 ))   (( resid 3    and name  HB2 )) 2.046 0.246 0.246 peak 16389 weight  1.00000E+00 volume  3.22590E+07 ppm1      1.799 ppm2      1.914

ASSI {7}   (  resid 3    and name  HE# )   (( resid 3    and name  HB1 )) 3.46 1.659 1.659 peak 16394 weight  1.00000E+00 volume  2.27022E+05 ppm1      1.905 ppm2      3.011

ASSI {8}   (  resid 3    and name  HE# )   (( resid 3    and name  HB2 )) 3.383 1.583 1.583 peak 16395 weight  1.00000E+00 volume  2.74061E+05 ppm1      1.803 ppm2      3.018

ASSI {9}   (( resid 3    and name  HG2 ))   (  resid 3    and name  HD# ) 2.493 0.693 0.693 peak 17882 weight  1.00000E+00 volume  4.50293E+06 ppm1      1.481 ppm2      1.668

ASSI {10}   (( resid 3    and name  HG1 ))   (  resid 3    and name  HD# ) 2.421 0.621 0.621 peak 17883 weight  1.00000E+00 volume  6.08049E+06 ppm1      1.436 ppm2      1.676

ASSI {11}   (( resid 3    and name  HG1 ))   (( resid 3    and name  HG2 )) 1.878 0.078 0.078 peak 17885 weight  1.00000E+00 volume  8.28133E+07 ppm1      1.475 ppm2      1.426

ASSI {12}   (( resid 3    and name  HG2 ))   (  resid 3    and name  HE# ) 2.961 1.161 1.161 peak 17893 weight  1.00000E+00 volume  8.73704E+05 ppm1      1.480 ppm2      3.000

ASSI {13}   (( resid 3    and name  HG1 ))   (  resid 3    and name  HE# ) 2.999 1.199 1.199 peak 17894 weight  1.00000E+00 volume  7.76279E+05 ppm1      1.437 ppm2      3.000

ASSI {14}   (  resid 5    and name  HA# )   (( resid 4    and name  HB  )) 2.978 1.278 2.618 peak 14190 weight  1.00000E+00 volume  9.95638E+05 ppm1      4.290 ppm2      4.007 !2

ASSI {15}   (  resid 4    and name  HG2#)   (( resid 4    and name  HB  )) 2.628 0.828 0.828 peak 17385 weight  1.00000E+00 volume  8.49659E+06 ppm1      1.215 ppm2      4.306

ASSI {16}   (  resid 6    and name  HG2#)   (  resid 5    and name  HA# ) 3.429 1.63 1.63 peak 13809 weight  1.00000E+00 volume  8.32629E+05 ppm1      3.995 ppm2      1.000

ASSI {17}   (( resid 7    and name  HG2 ))   (  resid 5    and name  HA# ) 3.32 1.62 4.9 peak 13811 weight  1.00000E+00 volume  3.72389E+05 ppm1      3.996 ppm2      1.198 !2

ASSI {18}   (  resid 5    and name  HA# )   (( resid 7    and name  HB1 )) 3.522 1.822 2.632 peak 13813 weight  1.00000E+00 volume  2.11455E+05 ppm1      4.000 ppm2      1.656 !1

ASSI {19}   (  resid 6    and name  HG2#)   (  resid 85   and name  HB# ) 3.336 1.536 1.536 peak 13857 weight  1.00000E+00 volume  3.25650E+06 ppm1      0.992 ppm2      0.145

ASSI {20}   (( resid 7    and name  HE1 ))   (  resid 6    and name  HG2#) 3.954 2.254 5.634 peak 19579 weight  1.00000E+00 volume  2.50847E+05 ppm1      2.728 ppm2      0.985 !2

ASSI {21}   (( resid 7    and name  HE2 ))   (  resid 6    and name  HG2#) 3.933 2.233 5.543 peak 19580 weight  1.00000E+00 volume  2.68469E+05 ppm1      2.689 ppm2      0.979 !2

ASSI {22}   (( resid 7    and name  HG1 ))   (  resid 8    and name  HD1#) 4.141 2.341 2.341 peak 10926 weight  1.00000E+00 volume  1.79913E+05 ppm1      1.180 ppm2     -0.051

ASSI {23}   (( resid 7    and name  HB1 ))   (( resid 7    and name  HD2 )) 2.266 0.566 1.376 peak 15732 weight  1.00000E+00 volume  1.05125E+07 ppm1      1.481 ppm2      1.641 !1

ASSI {24}   (( resid 7    and name  HE1 ))   (( resid 7    and name  HD2 )) 2.641 0.841 0.841 peak 15737 weight  1.00000E+00 volume  2.49180E+06 ppm1      1.484 ppm2      2.729

ASSI {25}   (( resid 7    and name  HG2 ))   (  resid 8    and name  HG2#) 4.021 2.22 2.22 peak 17252 weight  1.00000E+00 volume  2.08548E+05 ppm1      1.207 ppm2     -0.551

ASSI {26}   (( resid 7    and name  HE2 ))   (( resid 7    and name  HG2 )) 2.867 1.067 1.067 peak 17264 weight  1.00000E+00 volume  1.22320E+06 ppm1      1.210 ppm2      2.687

ASSI {27}   (( resid 7    and name  HE1 ))   (( resid 7    and name  HG2 )) 2.899 1.099 1.099 peak 17265 weight  1.00000E+00 volume  1.08375E+06 ppm1      1.210 ppm2      2.729

ASSI {28}   (( resid 7    and name  HG2 ))   (( resid 9    and name  HB  )) 3.866 2.066 2.066 peak 17269 weight  1.00000E+00 volume  -1.08604E+05 ppm1      1.211 ppm2      3.513

ASSI {29}   (( resid 8    and name  HG11))   (( resid 7    and name  HD1 )) 3.592 1.892 5.192 peak 18932 weight  1.00000E+00 volume  1.80751E+05 ppm1      0.523 ppm2      1.430 !1

ASSI {30}   (( resid 7    and name  HE2 ))   (( resid 7    and name  HB1 )) 2.958 1.158 1.158 peak 19568 weight  1.00000E+00 volume  8.92885E+05 ppm1      2.695 ppm2      1.643

ASSI {31}   (( resid 7    and name  HE1 ))   (( resid 7    and name  HG1 )) 2.7 0.9 0.9 peak 19575 weight  1.00000E+00 volume  2.03323E+06 ppm1      2.729 ppm2      1.169

ASSI {32}   (( resid 7    and name  HE2 ))   (( resid 7    and name  HG1 )) 2.795 0.995 0.995 peak 19578 weight  1.00000E+00 volume  1.52210E+06 ppm1      2.688 ppm2      1.166

ASSI {33}   (  resid 9    and name  HG2#)   (( resid 7    and name  HE2 )) 4.233 2.433 2.433 peak 19584 weight  1.00000E+00 volume  1.51777E+05 ppm1      2.693 ppm2      0.550

ASSI {34}   (( resid 7    and name  HB1 ))   (  resid 8    and name  HG2#) 4.419 2.619 2.619 peak 20110 weight  1.00000E+00 volume  1.07266E+05 ppm1      1.638 ppm2     -0.568

ASSI {35}   (( resid 7    and name  HG1 ))   (( resid 7    and name  HB1 )) 2.803 1.002 1.002 peak 20497 weight  1.00000E+00 volume  1.42980E+06 ppm1      1.640 ppm2      1.180

ASSI {36}   (( resid 7    and name  HE1 ))   (( resid 7    and name  HB1 )) 2.859 1.159 1.989 peak 23836 weight  1.00000E+00 volume  1.16068E+06 ppm1      2.732 ppm2      1.646 !1

ASSI {37}   (  resid 9    and name  HG2#)   (( resid 7    and name  HE1 )) 4.166 2.366 2.366 peak 23837 weight  1.00000E+00 volume  1.61087E+05 ppm1      2.735 ppm2      0.550

ASSI {38}   (( resid 83   and name  HB1 ))   (  resid 8    and name  HD1#) 4.224 2.424 2.424 peak 10792 weight  1.00000E+00 volume  1.54483E+05 ppm1      3.611 ppm2     -0.069

ASSI {39}   (  resid 80   and name  HD2#)   (  resid 8    and name  HD1#) 4.517 2.717 2.717 peak 10925 weight  1.00000E+00 volume  2.89396E+05 ppm1      0.867 ppm2     -0.053

ASSI {40}   (( resid 8    and name  HG11))   (  resid 80   and name  HD1#) 3.781 2.081 3.001 peak 14567 weight  1.00000E+00 volume  3.68741E+05 ppm1      1.188 ppm2      0.517 !1

ASSI {41}   (( resid 8    and name  HB  ))   (  resid 8    and name  HG2#) 2.909 1.109 1.109 peak 17567 weight  1.00000E+00 volume  3.19852E+06 ppm1     -0.559 ppm2     -0.379

ASSI {42}   (  resid 8    and name  HG2#)   (  resid 8    and name  HD1#) 3.408 1.608 1.608 peak 17568 weight  1.00000E+00 volume  2.63611E+06 ppm1     -0.561 ppm2     -0.078

ASSI {43}   (  resid 8    and name  HG2#)   (  resid 85   and name  HB# ) 4.045 2.245 2.245 peak 17569 weight  1.00000E+00 volume  5.54399E+05 ppm1     -0.563 ppm2      0.123

ASSI {44}   (( resid 8    and name  HG11))   (  resid 8    and name  HG2#) 3.399 1.599 1.599 peak 17571 weight  1.00000E+00 volume  8.80399E+05 ppm1     -0.564 ppm2      0.513

ASSI {45}   (( resid 83   and name  HB2 ))   (  resid 8    and name  HG2#) 4.152 2.352 2.352 peak 17585 weight  1.00000E+00 volume  1.87836E+05 ppm1     -0.557 ppm2      3.714

ASSI {46}   (( resid 8    and name  HG11))   (( resid 8    and name  HG12)) 2.939 1.139 1.139 peak 18917 weight  1.00000E+00 volume  9.91375E+05 ppm1      0.518 ppm2     -0.770

ASSI {47}   (( resid 8    and name  HG12))   (  resid 8    and name  HG2#) 3.581 1.781 1.781 peak 18918 weight  1.00000E+00 volume  5.79923E+05 ppm1     -0.793 ppm2     -0.569

ASSI {48}   (( resid 8    and name  HB  ))   (( resid 8    and name  HG12)) 3.456 1.656 1.656 peak 18920 weight  1.00000E+00 volume  2.56369E+05 ppm1     -0.795 ppm2     -0.374

ASSI {49}   (( resid 8    and name  HG11))   (  resid 8    and name  HD1#) 3.442 1.642 1.642 peak 18922 weight  1.00000E+00 volume  7.97369E+05 ppm1      0.516 ppm2     -0.061

ASSI {50}   (( resid 9    and name  HB  ))   (  resid 8    and name  HG2#) 4.501 2.701 2.701 peak 20814 weight  1.00000E+00 volume  9.37970E+04 ppm1      3.520 ppm2     -0.566

ASSI {51}   (  resid 9    and name  HG2#)   (( resid 9    and name  HB  )) 2.982 1.183 1.183 peak 20810 weight  1.00000E+00 volume  2.62846E+06 ppm1      3.520 ppm2      0.546

ASSI {52}   (( resid 10   and name  HZ  ))   (( resid 7    and name  HG1 )) 2.811 1.111 5.161 peak 10971 weight  1.00000E+00 volume  1.48269E+06 ppm1      1.176 ppm2      6.850 !2

ASSI {53}   (( resid 10   and name  HB1 ))   (( resid 21   and name  HB1 )) 3.176 1.476 3.416 peak 11168 weight  1.00000E+00 volume  4.99477E+05 ppm1      2.795 ppm2      2.581 !2

ASSI {54}   (  resid 10   and name  HE# )   (( resid 23   and name  HB1 )) 3.715 2.015 2.434 peak 13343 weight  1.00000E+00 volume  2.73300E+05 ppm1      2.456 ppm2      7.041 !1

ASSI {55}   (( resid 10   and name  HB1 ))   (( resid 38   and name  HB1 )) 3.257 1.557 4.587 peak 13408 weight  1.00000E+00 volume  3.81989E+05 ppm1      2.567 ppm2      2.345 !1

ASSI {56}   (  resid 34   and name  HD2#)   (( resid 10   and name  HB2 )) 3.566 1.766 1.766 peak 13409 weight  1.00000E+00 volume  5.41978E+05 ppm1      3.168 ppm2      0.785

ASSI {57}   (  resid 34   and name  HD2#)   (( resid 10   and name  HB1 )) 3.596 1.796 1.796 peak 13412 weight  1.00000E+00 volume  5.18676E+05 ppm1      2.567 ppm2      0.786

ASSI {58}   (( resid 40   and name  HG12))   (( resid 10   and name  HB1 )) 3.259 1.459 1.459 peak 13413 weight  1.00000E+00 volume  3.89774E+05 ppm1      2.577 ppm2      0.713

ASSI {59}   (  resid 9    and name  HG2#)   (( resid 10   and name  HB2 )) 4.399 2.599 2.599 peak 13415 weight  1.00000E+00 volume  1.01421E+05 ppm1      3.170 ppm2      0.553

ASSI {60}   (  resid 40   and name  HD1#)   (( resid 10   and name  HB1 )) 4.194 2.394 2.394 peak 13418 weight  1.00000E+00 volume  1.62697E+05 ppm1      2.570 ppm2     -0.595

ASSI {61}   (( resid 40   and name  HG11))   (( resid 10   and name  HB1 )) 3.446 1.646 1.646 peak 13421 weight  1.00000E+00 volume  2.40177E+05 ppm1      2.574 ppm2      1.387

ASSI {62}   (( resid 10   and name  HB1 ))   (( resid 10   and name  HB2 )) 2.818 1.018 1.018 peak 13422 weight  1.00000E+00 volume  1.33457E+06 ppm1      2.567 ppm2      3.171

ASSI {63}   (( resid 10   and name  HB2 ))   (( resid 9    and name  HB  )) 3.897 2.197 2.947 peak 13424 weight  1.00000E+00 volume  9.34139E+04 ppm1      3.170 ppm2      3.501 !1

ASSI {64}   (( resid 10   and name  HB1 ))   (( resid 30   and name  HZ  )) 3.92 2.12 2.12 peak 13432 weight  1.00000E+00 volume  8.82954E+04 ppm1      2.561 ppm2      5.772

ASSI {65}   (( resid 10   and name  HB2 ))   (( resid 30   and name  HZ  )) 4.038 2.238 2.238 peak 13433 weight  1.00000E+00 volume  6.83169E+04 ppm1      3.170 ppm2      5.780

ASSI {66}   (( resid 10   and name  HB1 ))   (  resid 30   and name  HE# ) 4.14 2.34 2.34 peak 13434 weight  1.00000E+00 volume  1.15055E+05 ppm1      2.566 ppm2      6.364

ASSI {67}   (( resid 10   and name  HB2 ))   (  resid 30   and name  HE# ) 4.274 2.474 2.474 peak 13435 weight  1.00000E+00 volume  8.38110E+04 ppm1      3.174 ppm2      6.367

ASSI {68}   (  resid 40   and name  HG2#)   (( resid 10   and name  HB2 )) 4.098 2.297 2.297 peak 14044 weight  1.00000E+00 volume  1.88247E+05 ppm1      0.250 ppm2      3.174

ASSI {69}   (( resid 10   and name  HB1 ))   (( resid 33   and name  HB2 )) 3.684 1.984 4.304 peak 16482 weight  1.00000E+00 volume  1.64664E+05 ppm1      2.244 ppm2      2.568 !2

ASSI {70}   (( resid 10   and name  HB1 ))   (( resid 33   and name  HB1 )) 2.893 1.193 6.073 peak 16483 weight  1.00000E+00 volume  1.06332E+06 ppm1      3.107 ppm2      2.592 !3

ASSI {71}   (  resid 10   and name  HE# )   (  resid 49   and name  HG1#) 3.664 1.864 1.864 peak 16660 weight  1.00000E+00 volume  9.55053E+05 ppm1      1.072 ppm2      7.035

ASSI {72}   (  resid 10   and name  HE# )   (( resid 80   and name  HG  )) 3.562 1.762 1.762 peak 19344 weight  1.00000E+00 volume  3.73713E+05 ppm1      1.799 ppm2      7.068

ASSI {73}   (( resid 10   and name  HZ  ))   (  resid 48   and name  HB# ) 3.453 1.753 3.873 peak 19395 weight  1.00000E+00 volume  8.13497E+05 ppm1      1.118 ppm2      6.840 !2

ASSI {74}   (  resid 48   and name  HB# )   (  resid 10   and name  HE# ) 4.17 2.47 3.56 peak 19397 weight  1.00000E+00 volume  3.47038E+05 ppm1      1.110 ppm2      7.046 !2

ASSI {75}   (  resid 40   and name  HD1#)   (( resid 10   and name  HB2 )) 3.962 2.162 2.162 peak 20769 weight  1.00000E+00 volume  2.66568E+05 ppm1     -0.593 ppm2      3.170

ASSI {76}   (( resid 10   and name  HB2 ))   (( resid 49   and name  HB  )) 3.424 1.724 6.324 peak 21334 weight  1.00000E+00 volume  2.62853E+05 ppm1      2.312 ppm2      3.182 !4

ASSI {77}   (( resid 10   and name  HB2 ))   (( resid 34   and name  HG  )) 3.054 1.354 2.044 peak 23011 weight  1.00000E+00 volume  5.94610E+05 ppm1      1.694 ppm2      3.174 !1

ASSI {78}   (( resid 40   and name  HG12))   (( resid 10   and name  HB2 )) 3.912 2.112 2.112 peak 23966 weight  1.00000E+00 volume  9.39219E+04 ppm1      0.697 ppm2      3.162

ASSI {79}   (( resid 7    and name  HG1 ))   (  resid 11   and name  HE# ) 3.164 1.464 5.644 peak 10973 weight  1.00000E+00 volume  1.05504E+06 ppm1      1.177 ppm2      7.073 !2

ASSI {80}   (( resid 11   and name  HB2 ))   (( resid 16   and name  HB1 )) 3.827 2.027 2.027 peak 11542 weight  1.00000E+00 volume  1.02161E+05 ppm1      2.961 ppm2      3.404

ASSI {81}   (( resid 11   and name  HB2 ))   (( resid 20   and name  HB2 )) 4.04 2.24 2.24 peak 13748 weight  1.00000E+00 volume  7.81808E+04 ppm1      1.365 ppm2      3.411

ASSI {82}   (( resid 20   and name  HB1 ))   (  resid 11   and name  HE# ) 3.985 2.185 2.185 peak 13763 weight  1.00000E+00 volume  1.67905E+05 ppm1      1.224 ppm2      7.039

ASSI {83}   (( resid 34   and name  HB2 ))   (  resid 11   and name  HD# ) 3.747 2.047 5.236 peak 14172 weight  1.00000E+00 volume  2.48689E+05 ppm1      1.298 ppm2      6.778 !4

ASSI {84}   (( resid 11   and name  HB2 ))   (( resid 12   and name  HB1 )) 3.601 1.901 3.861 peak 15111 weight  1.00000E+00 volume  1.69666E+05 ppm1      2.132 ppm2      3.402 !3

ASSI {85}   (( resid 15   and name  HB2 ))   (( resid 11   and name  HB1 )) 3.151 1.451 4.47 peak 18412 weight  1.00000E+00 volume  5.07136E+05 ppm1      3.213 ppm2      2.824 !3

ASSI {86}   (( resid 11   and name  HB2 ))   (( resid 12   and name  HB2 )) 3.771 2.071 2.611 peak 18414 weight  1.00000E+00 volume  1.24289E+05 ppm1      3.407 ppm2      2.231 !1

ASSI {87}   (( resid 11   and name  HB2 ))   (( resid 21   and name  HB2 )) 3.623 1.923 5.913 peak 18415 weight  1.00000E+00 volume  1.78038E+05 ppm1      3.398 ppm2      2.411 !2

ASSI {88}   (( resid 11   and name  HB2 ))   (( resid 16   and name  HB2 )) 3.812 2.012 2.012 peak 18418 weight  1.00000E+00 volume  1.22448E+05 ppm1      3.406 ppm2      1.985

ASSI {89}   (( resid 11   and name  HB2 ))   (( resid 14   and name  HB1 )) 3.801 2.101 3.112 peak 18419 weight  1.00000E+00 volume  9.72020E+04 ppm1      3.410 ppm2      1.832 !1

ASSI {90}   (( resid 11   and name  HB1 ))   (( resid 14   and name  HB1 )) 3.397 1.697 4.147 peak 18422 weight  1.00000E+00 volume  2.73380E+05 ppm1      3.214 ppm2      1.815 !3

ASSI {91}   (( resid 11   and name  HB2 ))   (( resid 36   and name  HG2 )) 3.777 2.077 5.068 peak 18426 weight  1.00000E+00 volume  1.29323E+05 ppm1      3.407 ppm2      1.541 !2

ASSI {92}   (( resid 11   and name  HB1 ))   (( resid 20   and name  HB1 )) 3.338 1.538 1.538 peak 18427 weight  1.00000E+00 volume  3.19868E+05 ppm1      3.214 ppm2      1.214

ASSI {93}   (( resid 11   and name  HB1 ))   (( resid 40   and name  HG12)) 3.7 2.0 4.68 peak 18429 weight  1.00000E+00 volume  1.36847E+05 ppm1      3.214 ppm2      0.729 !3

ASSI {94}   (  resid 9    and name  HG2#)   (( resid 11   and name  HB1 )) 4.512 2.712 2.712 peak 18430 weight  1.00000E+00 volume  8.94671E+04 ppm1      3.215 ppm2      0.544

ASSI {95}   (( resid 11   and name  HB1 ))   (( resid 39   and name  HB2 )) 3.633 1.833 1.833 peak 18438 weight  1.00000E+00 volume  1.54834E+05 ppm1      3.210 ppm2      4.301

ASSI {96}   (( resid 11   and name  HB1 ))   (  resid 11   and name  HE# ) 3.102 1.302 1.302 peak 18452 weight  1.00000E+00 volume  1.16457E+06 ppm1      3.210 ppm2      7.054

ASSI {97}   (( resid 11   and name  HB1 ))   (( resid 17   and name  HE21)) 3.013 1.313 4.073 peak 18454 weight  1.00000E+00 volume  7.50962E+05 ppm1      3.224 ppm2      7.229 !3

ASSI {98}   (( resid 11   and name  HB1 ))   (( resid 40   and name  HG11)) 3.72 2.02 2.599 peak 19996 weight  1.00000E+00 volume  1.34966E+05 ppm1      1.393 ppm2      3.198 !1

ASSI {99}   (( resid 34   and name  HB1 ))   (  resid 11   and name  HD# ) 3.54 1.84 5.05 peak 22037 weight  1.00000E+00 volume  4.17711E+05 ppm1      1.876 ppm2      6.789 !2

ASSI {100}   (( resid 12   and name  HG2 ))   (  resid 19   and name  HD# ) 3.042 1.342 3.662 peak 11219 weight  1.00000E+00 volume  7.31961E+05 ppm1      3.349 ppm2      2.748 !2

ASSI {101}   (  resid 19   and name  HD# )   (( resid 12   and name  HB1 )) 3.18 1.48 3.62 peak 11224 weight  1.00000E+00 volume  4.92895E+05 ppm1      3.345 ppm2      2.113 !3

ASSI {102}   (( resid 36   and name  HG1 ))   (( resid 12   and name  HB1 )) 3.054 1.354 4.545 peak 12048 weight  1.00000E+00 volume  6.88137E+05 ppm1      1.788 ppm2      2.127 !3

ASSI {103}   (( resid 36   and name  HG2 ))   (( resid 12   and name  HB1 )) 2.981 1.281 3.911 peak 12049 weight  1.00000E+00 volume  8.41429E+05 ppm1      1.555 ppm2      2.142 !2

ASSI {104}   (( resid 34   and name  HB1 ))   (( resid 12   and name  HG1 )) 3.326 1.626 4.096 peak 14151 weight  1.00000E+00 volume  3.62412E+05 ppm1      1.880 ppm2      2.813 !3

ASSI {105}   (( resid 12   and name  HB1 ))   (( resid 12   and name  HB2 )) 2.392 0.5915 0.5915 peak 15096 weight  1.00000E+00 volume  6.27432E+06 ppm1      2.126 ppm2      2.220

ASSI {106}   (  resid 34   and name  HD2#)   (( resid 12   and name  HB1 )) 3.759 1.959 1.959 peak 15100 weight  1.00000E+00 volume  3.66390E+05 ppm1      2.126 ppm2      0.797

ASSI {107}   (( resid 16   and name  HB1 ))   (( resid 12   and name  HB1 )) 3.466 1.766 6.876 peak 15106 weight  1.00000E+00 volume  2.37626E+05 ppm1      2.127 ppm2      2.980 !2

ASSI {108}   (( resid 16   and name  HB1 ))   (( resid 12   and name  HB2 )) 3.747 2.047 6.196 peak 15107 weight  1.00000E+00 volume  1.35663E+05 ppm1      2.230 ppm2      2.981 !2

ASSI {109}   (( resid 12   and name  HB1 ))   (( resid 36   and name  HE  )) 3.23 1.53 2.88 peak 15125 weight  1.00000E+00 volume  4.04453E+05 ppm1      2.126 ppm2      6.785 !2

ASSI {110}   (( resid 12   and name  HG2 ))   (( resid 33   and name  HB2 )) 3.561 1.861 5.611 peak 16484 weight  1.00000E+00 volume  1.97512E+05 ppm1      2.249 ppm2      2.736 !2

ASSI {111}   (( resid 18   and name  HA2 ))   (( resid 12   and name  HB1 )) 3.336 1.536 1.536 peak 16998 weight  1.00000E+00 volume  3.22351E+05 ppm1      4.500 ppm2      2.140

ASSI {112}   (( resid 18   and name  HA1 ))   (( resid 12   and name  HB1 )) 3.07 1.27 1.27 peak 16999 weight  1.00000E+00 volume  6.58772E+05 ppm1      3.838 ppm2      2.116

ASSI {113}   (( resid 12   and name  HG1 ))   (( resid 12   and name  HB1 )) 2.857 1.057 1.057 peak 19079 weight  1.00000E+00 volume  1.22123E+06 ppm1      2.799 ppm2      2.127

ASSI {114}   (( resid 12   and name  HG2 ))   (( resid 12   and name  HB1 )) 2.923 1.123 1.123 peak 19080 weight  1.00000E+00 volume  9.79476E+05 ppm1      2.740 ppm2      2.125

ASSI {115}   (( resid 12   and name  HG1 ))   (( resid 12   and name  HB2 )) 2.968 1.167 1.167 peak 19081 weight  1.00000E+00 volume  8.46972E+05 ppm1      2.799 ppm2      2.219

ASSI {116}   (( resid 12   and name  HG2 ))   (( resid 12   and name  HB2 )) 3.01 1.21 1.21 peak 19082 weight  1.00000E+00 volume  7.14080E+05 ppm1      2.743 ppm2      2.220

ASSI {117}   (( resid 12   and name  HG1 ))   (( resid 34   and name  HG  )) 2.8 1.1 2.31 peak 19087 weight  1.00000E+00 volume  1.47036E+06 ppm1      2.797 ppm2      1.706 !2

ASSI {118}   (( resid 12   and name  HG2 ))   (( resid 34   and name  HG  )) 2.886 1.087 1.087 peak 19088 weight  1.00000E+00 volume  1.10812E+06 ppm1      2.742 ppm2      1.705

ASSI {119}   (( resid 12   and name  HG2 ))   (( resid 78   and name  HB2 )) 3.485 1.785 5.505 peak 19102 weight  1.00000E+00 volume  2.22965E+05 ppm1      2.748 ppm2      3.125 !4

ASSI {120}   (( resid 12   and name  HG1 ))   (  resid 19   and name  HD# ) 3.601 1.801 1.801 peak 19103 weight  1.00000E+00 volume  1.65590E+05 ppm1      2.798 ppm2      3.335

ASSI {121}   (( resid 12   and name  HG1 ))   (  resid 35   and name  HB# ) 3.824 2.024 2.024 peak 19108 weight  1.00000E+00 volume  1.12706E+05 ppm1      2.796 ppm2      3.962

ASSI {122}   (( resid 12   and name  HG2 ))   (  resid 35   and name  HB# ) 3.842 2.042 2.042 peak 19109 weight  1.00000E+00 volume  1.12840E+05 ppm1      2.747 ppm2      3.964

ASSI {123}   (( resid 21   and name  HB2 ))   (( resid 12   and name  HB2 )) 2.986 1.286 4.906 peak 22379 weight  1.00000E+00 volume  8.30691E+05 ppm1      2.227 ppm2      2.384 !3

ASSI {124}   (( resid 12   and name  HB2 ))   (( resid 19   and name  HE  )) 3.898 2.198 3.338 peak 22384 weight  1.00000E+00 volume  8.83363E+04 ppm1      2.227 ppm2      7.295 !2

ASSI {125}   (( resid 12   and name  HB2 ))   (( resid 34   and name  HG  )) 3.03 1.33 2.031 peak 23010 weight  1.00000E+00 volume  6.62313E+05 ppm1      1.710 ppm2      2.211 !1

ASSI {126}   (( resid 13   and name  HB2 ))   (( resid 17   and name  HB2 )) 2.396 0.596 0.596 peak 15676 weight  1.00000E+00 volume  6.26635E+06 ppm1      2.772 ppm2      2.291
OR {126}   (( resid 17   and name  HG1 ))   (( resid 13   and name  HB2 ))

ASSI {127}   (( resid 14   and name  HB2 ))   (( resid 13   and name  HB2 )) 2.825 1.125 2.626 peak 15678 weight  1.00000E+00 volume  1.31988E+06 ppm1      2.778 ppm2      1.698 !1

ASSI {128}   (( resid 14   and name  HB2 ))   (( resid 13   and name  HB1 )) 2.849 1.049 1.049 peak 15681 weight  1.00000E+00 volume  1.19199E+06 ppm1      2.341 ppm2      1.706

ASSI {129}   (( resid 14   and name  HG2 ))   (( resid 13   and name  HB1 )) 3.176 1.476 2.946 peak 15682 weight  1.00000E+00 volume  4.77320E+05 ppm1      2.339 ppm2      1.469 !1

ASSI {130}   (( resid 14   and name  HG2 ))   (( resid 13   and name  HB2 )) 3.089 1.389 4.169 peak 15683 weight  1.00000E+00 volume  6.24605E+05 ppm1      2.776 ppm2      1.469 !1

ASSI {131}   (  resid 34   and name  HD2#)   (( resid 13   and name  HB2 )) 4.213 2.513 3.253 peak 15687 weight  1.00000E+00 volume  1.47653E+05 ppm1      2.778 ppm2      0.796 !1

ASSI {132}   (( resid 18   and name  HA2 ))   (( resid 13   and name  HB1 )) 3.352 1.652 2.672 peak 15694 weight  1.00000E+00 volume  3.14646E+05 ppm1      2.336 ppm2      4.497 !2

ASSI {133}   (( resid 18   and name  HA2 ))   (( resid 13   and name  HB2 )) 3.489 1.688 1.688 peak 15697 weight  1.00000E+00 volume  2.28674E+05 ppm1      2.781 ppm2      4.498

ASSI {134}   (( resid 13   and name  HB1 ))   (( resid 38   and name  HD21)) 2.876 1.176 1.586 peak 15709 weight  1.00000E+00 volume  1.16999E+06 ppm1      2.333 ppm2      8.539 !1

ASSI {135}   (( resid 13   and name  HB2 ))   (( resid 38   and name  HD21)) 2.776 1.076 2.216 peak 22585 weight  1.00000E+00 volume  1.60142E+06 ppm1      2.778 ppm2      8.549 !1

ASSI {136}   (( resid 69   and name  HB2 ))   (  resid 14   and name  HE# ) 3.007 1.307 4.597 peak 11109 weight  1.00000E+00 volume  8.10596E+05 ppm1      2.182 ppm2      2.981 !3

ASSI {137}   (( resid 69   and name  HB1 ))   (  resid 14   and name  HE# ) 3.159 1.459 2.758 peak 11110 weight  1.00000E+00 volume  5.12662E+05 ppm1      1.768 ppm2      2.980 !2

ASSI {138}   (( resid 14   and name  HB2 ))   (( resid 14   and name  HG2 )) 2.512 0.712 0.712 peak 12280 weight  1.00000E+00 volume  3.89561E+06 ppm1      1.464 ppm2      1.696

ASSI {139}   (( resid 14   and name  HG1 ))   (  resid 70   and name  HE# ) 4.131 2.332 2.332 peak 12293 weight  1.00000E+00 volume  1.23159E+05 ppm1      1.751 ppm2      6.540

ASSI {140}   (( resid 14   and name  HG1 ))   (( resid 38   and name  HD21)) 3.243 1.443 1.443 peak 12295 weight  1.00000E+00 volume  3.90319E+05 ppm1      1.751 ppm2      8.546

ASSI {141}   (( resid 14   and name  HG2 ))   (( resid 38   and name  HD21)) 3.319 1.619 2.139 peak 12296 weight  1.00000E+00 volume  3.24191E+05 ppm1      1.469 ppm2      8.547 !1

ASSI {142}   (( resid 14   and name  HG2 ))   (  resid 14   and name  HD# ) 2.412 0.612 0.612 peak 13574 weight  1.00000E+00 volume  5.22176E+06 ppm1      1.651 ppm2      1.472

ASSI {143}   (( resid 15   and name  HD21))   (  resid 14   and name  HD# ) 3.708 1.908 1.908 peak 13582 weight  1.00000E+00 volume  1.36712E+05 ppm1      1.662 ppm2      7.532

ASSI {144}   (( resid 14   and name  HB1 ))   (( resid 14   and name  HB2 )) 2.408 0.708 1.408 peak 15596 weight  1.00000E+00 volume  5.78076E+06 ppm1      1.821 ppm2      1.695 !1

ASSI {145}   (( resid 14   and name  HB1 ))   (( resid 14   and name  HG2 )) 2.799 0.999 0.999 peak 15598 weight  1.00000E+00 volume  1.38160E+06 ppm1      1.823 ppm2      1.460

ASSI {146}   (( resid 15   and name  HB1 ))   (( resid 14   and name  HB2 )) 3.276 1.576 2.366 peak 15602 weight  1.00000E+00 volume  3.70247E+05 ppm1      1.713 ppm2      2.543 !1

ASSI {147}   (( resid 14   and name  HB1 ))   (( resid 39   and name  HB2 )) 3.418 1.718 2.438 peak 15618 weight  1.00000E+00 volume  2.94122E+05 ppm1      1.822 ppm2      4.312 !1

ASSI {148}   (  resid 14   and name  HE# )   (  resid 14   and name  HD# ) 2.306 0.5065 0.5065 peak 16410 weight  1.00000E+00 volume  9.00519E+06 ppm1      2.982 ppm2      1.678

ASSI {149}   (( resid 14   and name  HG2 ))   (  resid 14   and name  HE# ) 2.536 0.736 0.736 peak 16412 weight  1.00000E+00 volume  3.69056E+06 ppm1      2.980 ppm2      1.479

ASSI {150}   (( resid 15   and name  HB1 ))   (( resid 14   and name  HB1 )) 2.867 1.167 2.517 peak 16509 weight  1.00000E+00 volume  1.18113E+06 ppm1      2.538 ppm2      1.811 !2

ASSI {151}   (( resid 69   and name  HG2 ))   (  resid 14   and name  HD# ) 2.748 1.048 1.877 peak 17969 weight  1.00000E+00 volume  1.68830E+06 ppm1      1.951 ppm2      1.664 !1

ASSI {152}   (( resid 69   and name  HG2 ))   (( resid 14   and name  HG2 )) 3.033 1.333 2.153 peak 17970 weight  1.00000E+00 volume  7.24822E+05 ppm1      1.950 ppm2      1.489 !1

ASSI {153}   (( resid 37   and name  HB1 ))   (( resid 14   and name  HG1 )) 3.283 1.583 6.703 peak 18593 weight  1.00000E+00 volume  3.59377E+05 ppm1      2.626 ppm2      1.740 !2

ASSI {154}   (( resid 14   and name  HB2 ))   (( resid 38   and name  HB2 )) 2.812 1.112 3.222 peak 18825 weight  1.00000E+00 volume  1.37393E+06 ppm1      2.776 ppm2      1.685 !3

ASSI {155}   (( resid 14   and name  HG2 ))   (( resid 38   and name  HB2 )) 3.057 1.357 2.857 peak 18826 weight  1.00000E+00 volume  6.80853E+05 ppm1      2.772 ppm2      1.467 !2

ASSI {156}   (( resid 14   and name  HG2 ))   (( resid 38   and name  HB1 )) 3.135 1.435 2.115 peak 18828 weight  1.00000E+00 volume  5.38381E+05 ppm1      2.334 ppm2      1.472 !1

ASSI {157}   (( resid 15   and name  HB2 ))   (( resid 14   and name  HB2 )) 3.147 1.447 2.007 peak 19213 weight  1.00000E+00 volume  5.55096E+05 ppm1      2.818 ppm2      1.714 !1

ASSI {158}   (( resid 15   and name  HB1 ))   (( resid 14   and name  HG2 )) 2.811 1.111 4.461 peak 19214 weight  1.00000E+00 volume  1.38427E+06 ppm1      2.536 ppm2      1.486 !2

ASSI {159}   (( resid 15   and name  HB1 ))   (  resid 14   and name  HE# ) 2.96 1.26 4.67 peak 19223 weight  1.00000E+00 volume  1.02946E+06 ppm1      2.527 ppm2      2.994 !3

ASSI {160}   (( resid 14   and name  HG1 ))   (( resid 14   and name  HG2 )) 2.727 0.927 0.927 peak 21473 weight  1.00000E+00 volume  1.75130E+06 ppm1      1.742 ppm2      1.467

ASSI {161}   (( resid 14   and name  HB2 ))   (( resid 39   and name  HB1 )) 3.345 1.545 1.545 peak 21775 weight  1.00000E+00 volume  3.27592E+05 ppm1      3.843 ppm2      1.708

ASSI {162}   (( resid 15   and name  HB1 ))   (( resid 17   and name  HG2 )) 2.385 0.685 3.075 peak 16504 weight  1.00000E+00 volume  6.53886E+06 ppm1      2.534 ppm2      2.359 !1

ASSI {163}   (( resid 15   and name  HB1 ))   (( resid 15   and name  HB2 )) 2.193 0.393 0.393 peak 19208 weight  1.00000E+00 volume  1.56273E+07 ppm1      2.815 ppm2      2.529

ASSI {164}   (( resid 15   and name  HB2 ))   (( resid 16   and name  HB2 )) 3.118 1.418 2.728 peak 19210 weight  1.00000E+00 volume  5.95405E+05 ppm1      2.821 ppm2      2.003 !1

ASSI {165}   (( resid 15   and name  HB2 ))   (( resid 68   and name  HB2 )) 3.038 1.338 4.158 peak 19211 weight  1.00000E+00 volume  7.42561E+05 ppm1      2.817 ppm2      2.154 !3

ASSI {166}   (( resid 15   and name  HB1 ))   (( resid 68   and name  HD2 )) 3.48 1.78 5.58 peak 19230 weight  1.00000E+00 volume  2.30979E+05 ppm1      2.532 ppm2      3.912 !3

ASSI {167}   (( resid 15   and name  HB2 ))   (  resid 16   and name  HE# ) 3.713 2.013 2.433 peak 19242 weight  1.00000E+00 volume  2.79529E+05 ppm1      2.813 ppm2      7.258 !1

ASSI {168}   (( resid 15   and name  HB2 ))   (( resid 15   and name  HD21)) 3.059 1.259 1.259 peak 19247 weight  1.00000E+00 volume  7.13368E+05 ppm1      2.817 ppm2      7.518

ASSI {169}   (( resid 15   and name  HB1 ))   (( resid 68   and name  HB2 )) 2.886 1.186 2.956 peak 22834 weight  1.00000E+00 volume  1.10534E+06 ppm1      2.535 ppm2      2.114 !2

ASSI {170}   (( resid 41   and name  HB1 ))   (( resid 16   and name  HB1 )) 2.715 1.015 4.924 peak 11537 weight  1.00000E+00 volume  1.90292E+06 ppm1      2.963 ppm2      1.730 !3

ASSI {171}   (( resid 16   and name  HB1 ))   (( resid 16   and name  HB2 )) 2.611 0.911 1.591 peak 11538 weight  1.00000E+00 volume  2.76571E+06 ppm1      2.008 ppm2      2.961 !1

ASSI {172}   (( resid 41   and name  HB2 ))   (( resid 16   and name  HB2 )) 2.979 1.279 3.479 peak 11539 weight  1.00000E+00 volume  7.74806E+05 ppm1      2.010 ppm2      1.671 !3
OR {172}   (( resid 41   and name  HE2 ))   (( resid 16   and name  HB2 ))

ASSI {173}   (( resid 16   and name  HB2 ))   (( resid 39   and name  HB2 )) 3.602 1.802 1.802 peak 11545 weight  1.00000E+00 volume  1.67825E+05 ppm1      2.011 ppm2      4.329

ASSI {174}   (( resid 16   and name  HB1 ))   (  resid 16   and name  HD# ) 2.863 1.063 1.063 peak 11547 weight  1.00000E+00 volume  2.45751E+06 ppm1      2.958 ppm2      6.785

ASSI {175}   (  resid 16   and name  HE# )   (( resid 16   and name  HB1 )) 3.591 1.791 1.791 peak 11549 weight  1.00000E+00 volume  3.44444E+05 ppm1      2.963 ppm2      7.273

ASSI {176}   (  resid 9    and name  HG2#)   (( resid 16   and name  HB1 )) 3.305 1.505 1.505 peak 11724 weight  1.00000E+00 volume  1.09803E+06 ppm1      0.550 ppm2      2.972

ASSI {177}   (( resid 16   and name  HB2 ))   (( resid 17   and name  HB2 )) 2.321 0.621 4.621 peak 13527 weight  1.00000E+00 volume  8.37909E+06 ppm1      2.272 ppm2      2.007 !2

ASSI {178}   (( resid 41   and name  HE1 ))   (( resid 16   and name  HB1 )) 3.288 1.488 1.488 peak 14427 weight  1.00000E+00 volume  3.94306E+05 ppm1      1.940 ppm2      2.958

ASSI {179}   (( resid 41   and name  HE2 ))   (  resid 16   and name  HE# ) 3.641 1.841 1.841 peak 14437 weight  1.00000E+00 volume  3.21508E+05 ppm1      1.691 ppm2      7.247

ASSI {180}   (( resid 41   and name  HE1 ))   (  resid 16   and name  HE# ) 3.867 2.067 2.067 peak 14438 weight  1.00000E+00 volume  2.13997E+05 ppm1      1.937 ppm2      7.262

ASSI {181}   (  resid 16   and name  HE# )   (( resid 66   and name  HG1 )) 3.596 1.896 2.266 peak 14626 weight  1.00000E+00 volume  3.65389E+05 ppm1      1.900 ppm2      7.263 !1

ASSI {182}   (  resid 16   and name  HE# )   (( resid 68   and name  HB2 )) 3.54 1.74 1.74 peak 15036 weight  1.00000E+00 volume  3.80713E+05 ppm1      2.133 ppm2      7.278

ASSI {183}   (  resid 16   and name  HE# )   (( resid 67   and name  HB2 )) 3.178 1.378 1.378 peak 16910 weight  1.00000E+00 volume  9.91733E+05 ppm1      3.232 ppm2      7.247

ASSI {184}   (  resid 16   and name  HE# )   (( resid 68   and name  HD1 )) 3.767 1.967 1.967 peak 16940 weight  1.00000E+00 volume  2.55413E+05 ppm1      3.821 ppm2      7.255

ASSI {185}   (( resid 9    and name  HB  ))   (( resid 16   and name  HB2 )) 3.766 2.066 4.836 peak 20804 weight  1.00000E+00 volume  1.29746E+05 ppm1      3.522 ppm2      1.991 !2

ASSI {186}   (  resid 16   and name  HE# )   (( resid 68   and name  HB1 )) 3.471 1.671 1.671 peak 22353 weight  1.00000E+00 volume  4.61503E+05 ppm1      2.096 ppm2      7.280

ASSI {187}   (( resid 17   and name  HG1 ))   (( resid 17   and name  HG2 )) 2.064 0.264 0.264 peak 11347 weight  1.00000E+00 volume  2.76935E+07 ppm1      2.348 ppm2      2.280
OR {187}   (( resid 17   and name  HG2 ))   (( resid 17   and name  HB2 ))

ASSI {188}   (( resid 17   and name  HG1 ))   (( resid 17   and name  HB1 )) 2.428 0.628 0.628 peak 11349 weight  1.00000E+00 volume  5.45950E+06 ppm1      2.284 ppm2      1.783

ASSI {189}   (( resid 17   and name  HG1 ))   (( resid 17   and name  HE21)) 3.165 1.365 1.365 peak 11363 weight  1.00000E+00 volume  5.00681E+05 ppm1      2.290 ppm2      7.216

ASSI {190}   (( resid 17   and name  HG2 ))   (( resid 17   and name  HE21)) 3.13 1.33 1.33 peak 11364 weight  1.00000E+00 volume  5.56950E+05 ppm1      2.349 ppm2      7.215

ASSI {191}   (( resid 18   and name  HA2 ))   (( resid 17   and name  HB2 )) 2.587 0.887 2.797 peak 13533 weight  1.00000E+00 volume  2.89369E+06 ppm1      2.281 ppm2      4.514 !3

ASSI {192}   (( resid 18   and name  HA1 ))   (( resid 17   and name  HE22)) 3.44 1.74 4.31 peak 17011 weight  1.00000E+00 volume  2.33174E+05 ppm1      3.837 ppm2      6.898 !2

ASSI {193}   (( resid 18   and name  HA1 ))   (  resid 19   and name  HD# ) 3.681 1.981 3.651 peak 11233 weight  1.00000E+00 volume  1.64131E+05 ppm1      3.354 ppm2      3.847 !2

ASSI {194}   (( resid 19   and name  HG2 ))   (( resid 18   and name  HA1 )) 2.776 1.076 4.046 peak 13193 weight  1.00000E+00 volume  1.51008E+06 ppm1      1.924 ppm2      3.861 !2

ASSI {195}   (( resid 19   and name  HG1 ))   (( resid 18   and name  HA1 )) 3.081 1.381 3.851 peak 13194 weight  1.00000E+00 volume  6.14083E+05 ppm1      1.774 ppm2      3.852 !2

ASSI {196}   (  resid 19   and name  HD# )   (( resid 21   and name  HB2 )) 3.516 1.816 3.976 peak 11222 weight  1.00000E+00 volume  2.03916E+05 ppm1      3.343 ppm2      2.411 !2

ASSI {197}   (( resid 19   and name  HG2 ))   (  resid 19   and name  HD# ) 2.446 0.746 1.506 peak 11225 weight  1.00000E+00 volume  5.21109E+06 ppm1      3.350 ppm2      1.933 !1

ASSI {198}   (  resid 19   and name  HD# )   (( resid 20   and name  HG2 )) 3.652 1.952 4.422 peak 11230 weight  1.00000E+00 volume  1.63880E+05 ppm1      3.343 ppm2      1.097 !2

ASSI {199}   (  resid 34   and name  HD1#)   (  resid 19   and name  HD# ) 3.545 1.745 1.745 peak 11231 weight  1.00000E+00 volume  6.17075E+05 ppm1      3.355 ppm2      0.881

ASSI {200}   (  resid 34   and name  HD2#)   (  resid 19   and name  HD# ) 3.703 2.003 2.563 peak 11232 weight  1.00000E+00 volume  4.20588E+05 ppm1      3.348 ppm2      0.792 !1

ASSI {201}   (  resid 19   and name  HD# )   (  resid 33   and name  HD# ) 2.899 1.199 4.279 peak 11237 weight  1.00000E+00 volume  2.18431E+06 ppm1      3.349 ppm2      6.768 !3

ASSI {202}   (( resid 19   and name  HB1 ))   (  resid 19   and name  HD# ) 2.772 0.9725 0.9725 peak 12571 weight  1.00000E+00 volume  1.59285E+06 ppm1      1.856 ppm2      3.349

ASSI {203}   (( resid 19   and name  HB1 ))   (( resid 20   and name  HG1 )) 2.862 1.162 3.802 peak 12769 weight  1.00000E+00 volume  1.14612E+06 ppm1      1.465 ppm2      1.844 !2

ASSI {204}   (( resid 19   and name  HG1 ))   (  resid 19   and name  HD# ) 2.542 0.742 0.742 peak 13190 weight  1.00000E+00 volume  3.62742E+06 ppm1      1.761 ppm2      3.340

ASSI {205}   (( resid 20   and name  HD1 ))   (( resid 19   and name  HG2 )) 3.454 1.754 5.964 peak 13192 weight  1.00000E+00 volume  2.51642E+05 ppm1      1.930 ppm2      2.989 !2

ASSI {206}   (( resid 41   and name  HD2 ))   (( resid 20   and name  HD2 )) 3.642 1.942 5.122 peak 10512 weight  1.00000E+00 volume  1.67886E+05 ppm1      1.461 ppm2      3.085 !2

ASSI {207}   (( resid 20   and name  HD2 ))   (( resid 7    and name  HG1 )) 3.246 1.546 5.076 peak 10940 weight  1.00000E+00 volume  4.46489E+05 ppm1      1.182 ppm2      3.078 !2

ASSI {208}   (  resid 9    and name  HG2#)   (( resid 20   and name  HG2 )) 3.255 1.454 1.454 peak 11717 weight  1.00000E+00 volume  1.20880E+06 ppm1      0.550 ppm2      1.104

ASSI {209}   (  resid 9    and name  HG2#)   (( resid 20   and name  HE  )) 3.647 1.848 1.848 peak 11737 weight  1.00000E+00 volume  4.60035E+05 ppm1      0.548 ppm2      7.612

ASSI {210}   (( resid 20   and name  HG1 ))   (( resid 20   and name  HG2 )) 2.396 0.596 0.596 peak 12759 weight  1.00000E+00 volume  6.38524E+06 ppm1      1.463 ppm2      1.116

ASSI {211}   (  resid 9    and name  HG2#)   (( resid 20   and name  HG1 )) 3.501 1.701 1.701 peak 12764 weight  1.00000E+00 volume  6.96515E+05 ppm1      1.459 ppm2      0.545

ASSI {212}   (( resid 20   and name  HG1 ))   (  resid 22   and name  HB# ) 3.576 1.876 2.806 peak 12771 weight  1.00000E+00 volume  1.80510E+05 ppm1      1.466 ppm2      2.182 !1

ASSI {213}   (( resid 20   and name  HD2 ))   (( resid 20   and name  HG1 )) 2.837 1.137 2.807 peak 12774 weight  1.00000E+00 volume  1.28681E+06 ppm1      1.460 ppm2      3.063 !1

ASSI {214}   (( resid 20   and name  HG1 ))   (( resid 20   and name  HE  )) 3.484 1.784 3.534 peak 12791 weight  1.00000E+00 volume  2.45446E+05 ppm1      1.471 ppm2      7.612 !1

ASSI {215}   (( resid 20   and name  HG1 ))   (( resid 20   and name  HB2 )) 2.891 1.091 1.091 peak 13737 weight  1.00000E+00 volume  1.08187E+06 ppm1      1.366 ppm2      1.485

ASSI {216}   (  resid 34   and name  HD1#)   (( resid 20   and name  HB2 )) 3.784 1.984 1.984 peak 13738 weight  1.00000E+00 volume  3.70262E+05 ppm1      1.363 ppm2      0.876

ASSI {217}   (  resid 9    and name  HG2#)   (( resid 20   and name  HB1 )) 3.339 1.539 1.539 peak 13740 weight  1.00000E+00 volume  1.02449E+06 ppm1      1.213 ppm2      0.554

ASSI {218}   (  resid 9    and name  HG2#)   (( resid 20   and name  HB2 )) 3.396 1.595 1.595 peak 13741 weight  1.00000E+00 volume  8.93581E+05 ppm1      1.359 ppm2      0.560

ASSI {219}   (( resid 40   and name  HG12))   (( resid 20   and name  HB2 )) 3.58 1.88 4.41 peak 13742 weight  1.00000E+00 volume  1.99840E+05 ppm1      1.364 ppm2      0.725 !3

ASSI {220}   (( resid 20   and name  HD2 ))   (( resid 20   and name  HB1 )) 3.069 1.268 1.268 peak 13745 weight  1.00000E+00 volume  6.80343E+05 ppm1      1.217 ppm2      3.071

ASSI {221}   (( resid 34   and name  HB1 ))   (( resid 20   and name  HG1 )) 3.269 1.569 5.809 peak 14138 weight  1.00000E+00 volume  4.41463E+05 ppm1      1.873 ppm2      1.487 !3

ASSI {222}   (( resid 20   and name  HG2 ))   (( resid 33   and name  HB1 )) 3.867 2.167 5.517 peak 16476 weight  1.00000E+00 volume  9.84536E+04 ppm1      3.107 ppm2      1.088 !2

ASSI {223}   (( resid 20   and name  HD2 ))   (( resid 20   and name  HG2 )) 2.787 0.9865 0.9865 peak 17186 weight  1.00000E+00 volume  1.51895E+06 ppm1      3.074 ppm2      1.110

ASSI {224}   (( resid 20   and name  HD1 ))   (( resid 20   and name  HG2 )) 2.743 1.043 1.942 peak 17187 weight  1.00000E+00 volume  1.77673E+06 ppm1      2.992 ppm2      1.104 !1

ASSI {225}   (( resid 20   and name  HD2 ))   (( resid 20   and name  HE  )) 3.267 1.567 2.247 peak 17216 weight  1.00000E+00 volume  3.73449E+05 ppm1      3.080 ppm2      7.623 !1

ASSI {226}   (( resid 20   and name  HD1 ))   (( resid 20   and name  HE  )) 3.353 1.553 1.553 peak 17217 weight  1.00000E+00 volume  3.22046E+05 ppm1      2.993 ppm2      7.621

ASSI {227}   (( resid 20   and name  HD2 ))   (( resid 23   and name  HB1 )) 3.197 1.497 5.967 peak 18038 weight  1.00000E+00 volume  4.42675E+05 ppm1      3.095 ppm2      2.467 !2

ASSI {228}   (( resid 20   and name  HD2 ))   (( resid 9    and name  HB  )) 3.732 1.932 1.932 peak 20801 weight  1.00000E+00 volume  1.38423E+05 ppm1      3.522 ppm2      3.071

ASSI {229}   (( resid 21   and name  HB2 ))   (( resid 83   and name  HB1 )) 3.716 2.016 6.147 peak 10776 weight  1.00000E+00 volume  1.24140E+05 ppm1      3.618 ppm2      2.405 !2

ASSI {230}   (( resid 34   and name  HB2 ))   (( resid 21   and name  HB1 )) 3.541 1.741 1.741 peak 11162 weight  1.00000E+00 volume  1.96839E+05 ppm1      2.793 ppm2      1.303

ASSI {231}   (( resid 34   and name  HB2 ))   (( resid 21   and name  HB2 )) 3.357 1.657 2.697 peak 11163 weight  1.00000E+00 volume  2.38263E+05 ppm1      2.398 ppm2      1.296 !1

ASSI {232}   (( resid 21   and name  HB1 ))   (( resid 33   and name  HB1 )) 3.345 1.544 1.544 peak 11171 weight  1.00000E+00 volume  3.33043E+05 ppm1      2.794 ppm2      3.110

ASSI {233}   (( resid 21   and name  HB2 ))   (  resid 21   and name  HE# ) 3.604 1.804 1.804 peak 11179 weight  1.00000E+00 volume  3.23423E+05 ppm1      2.396 ppm2      6.342

ASSI {234}   (( resid 23   and name  HB2 ))   (  resid 21   and name  HE# ) 3.712 1.912 1.912 peak 13336 weight  1.00000E+00 volume  2.86655E+05 ppm1      3.044 ppm2      6.336

ASSI {235}   (( resid 34   and name  HB2 ))   (  resid 21   and name  HE# ) 3.792 2.092 2.862 peak 14164 weight  1.00000E+00 volume  2.51332E+05 ppm1      1.301 ppm2      6.347 !1

ASSI {236}   (( resid 34   and name  HB1 ))   (  resid 21   and name  HE# ) 3.768 2.068 3.277 peak 14165 weight  1.00000E+00 volume  2.66454E+05 ppm1      1.873 ppm2      6.342 !1

ASSI {237}   (( resid 30   and name  HB2 ))   (  resid 21   and name  HE# ) 3.87 2.071 2.071 peak 15498 weight  1.00000E+00 volume  2.02472E+05 ppm1      2.914 ppm2      6.355

ASSI {238}   (( resid 21   and name  HB2 ))   (( resid 33   and name  HB2 )) 3.423 1.623 1.623 peak 16470 weight  1.00000E+00 volume  2.76579E+05 ppm1      2.250 ppm2      2.389

ASSI {239}   (  resid 21   and name  HE# )   (( resid 33   and name  HB1 )) 4.04 2.24 2.24 peak 16493 weight  1.00000E+00 volume  1.38830E+05 ppm1      3.111 ppm2      6.335

ASSI {240}   (  resid 8    and name  HG2#)   (  resid 21   and name  HE# ) 4.742 2.942 2.942 peak 17595 weight  1.00000E+00 volume  1.29554E+05 ppm1     -0.556 ppm2      6.355

ASSI {241}   (( resid 37   and name  HB1 ))   (  resid 21   and name  HE# ) 4.266 2.566 6.066 peak 18618 weight  1.00000E+00 volume  1.03420E+05 ppm1      2.625 ppm2      6.335 !2

ASSI {242}   (  resid 34   and name  HD1#)   (( resid 21   and name  HB2 )) 3.367 1.567 1.567 peak 19002 weight  1.00000E+00 volume  9.99062E+05 ppm1      0.868 ppm2      2.394

ASSI {243}   (  resid 34   and name  HD2#)   (( resid 21   and name  HB2 )) 3.601 1.801 1.801 peak 19005 weight  1.00000E+00 volume  5.54023E+05 ppm1      0.776 ppm2      2.386

ASSI {244}   (( resid 21   and name  HB2 ))   (  resid 35   and name  HB# ) 3.303 1.603 5.402 peak 20064 weight  1.00000E+00 volume  3.59854E+05 ppm1      3.955 ppm2      2.394 !3

ASSI {245}   (( resid 7    and name  HD1 ))   (  resid 22   and name  HB# ) 3.309 1.609 2.029 peak 14762 weight  1.00000E+00 volume  3.25465E+05 ppm1      2.177 ppm2      1.437 !1

ASSI {246}   (( resid 7    and name  HG1 ))   (  resid 22   and name  HB# ) 3.422 1.622 1.622 peak 14764 weight  1.00000E+00 volume  2.59813E+05 ppm1      2.181 ppm2      1.164

ASSI {247}   (  resid 9    and name  HG2#)   (  resid 22   and name  HB# ) 3.877 2.177 2.737 peak 14765 weight  1.00000E+00 volume  2.98320E+05 ppm1      2.188 ppm2      0.547 !1

ASSI {248}   (( resid 23   and name  HB2 ))   (( resid 33   and name  HB2 )) 3.268 1.568 5.828 peak 13290 weight  1.00000E+00 volume  4.25139E+05 ppm1      3.041 ppm2      2.258 !2

ASSI {249}   (( resid 23   and name  HB1 ))   (( resid 23   and name  HB2 )) 2.466 0.6655 0.6655 peak 13295 weight  1.00000E+00 volume  4.94594E+06 ppm1      2.455 ppm2      3.030

ASSI {250}   (( resid 23   and name  HB2 ))   (  resid 8    and name  HD1#) 4.228 2.528 3.508 peak 13307 weight  1.00000E+00 volume  1.57197E+05 ppm1      3.044 ppm2     -0.075 !2

ASSI {251}   (( resid 23   and name  HB1 ))   (  resid 8    and name  HD1#) 4.614 2.914 3.334 peak 13308 weight  1.00000E+00 volume  8.04916E+04 ppm1      2.444 ppm2     -0.073 !1

ASSI {252}   (( resid 8    and name  HB  ))   (( resid 23   and name  HB2 )) 3.448 1.748 5.058 peak 13311 weight  1.00000E+00 volume  2.66096E+05 ppm1      3.042 ppm2     -0.379 !2

ASSI {253}   (( resid 23   and name  HB1 ))   (  resid 8    and name  HG2#) 3.223 1.523 1.942 peak 13312 weight  1.00000E+00 volume  1.40800E+06 ppm1      2.454 ppm2     -0.564 !1

ASSI {254}   (( resid 23   and name  HB1 ))   (( resid 47   and name  HH2 )) 3.877 2.077 2.077 peak 13339 weight  1.00000E+00 volume  9.31920E+04 ppm1      2.453 ppm2      6.662

ASSI {255}   (( resid 23   and name  HB2 ))   (( resid 47   and name  HH2 )) 3.516 1.816 3.586 peak 13340 weight  1.00000E+00 volume  2.37547E+05 ppm1      3.039 ppm2      6.652 !2

ASSI {256}   (( resid 23   and name  HB2 ))   (  resid 8    and name  HG2#) 3.295 1.495 1.495 peak 17583 weight  1.00000E+00 volume  1.13369E+06 ppm1     -0.561 ppm2      3.034

ASSI {257}   (( resid 7    and name  HB1 ))   (( resid 24   and name  HB2 )) 3.486 1.686 1.686 peak 20112 weight  1.00000E+00 volume  2.47423E+05 ppm1      1.651 ppm2      2.546

ASSI {258}   (( resid 25   and name  HB1 ))   (( resid 25   and name  HB2 )) 2.45 0.75 2.17 peak 11414 weight  1.00000E+00 volume  5.25003E+06 ppm1      3.260 ppm2      3.158 !1

ASSI {259}   (( resid 25   and name  HB1 ))   (  resid 27   and name  HB# ) 3.552 1.852 2.682 peak 11416 weight  1.00000E+00 volume  1.89029E+05 ppm1      3.266 ppm2      3.433 !1

ASSI {260}   (( resid 25   and name  HB2 ))   (  resid 27   and name  HB# ) 3.351 1.651 3.511 peak 11417 weight  1.00000E+00 volume  3.28832E+05 ppm1      3.150 ppm2      3.434 !2

ASSI {261}   (( resid 25   and name  HB1 ))   (  resid 26   and name  HB# ) 3.539 1.839 2.929 peak 11610 weight  1.00000E+00 volume  2.01074E+05 ppm1      2.889 ppm2      3.269 !1

ASSI {262}   (  resid 84   and name  HG# )   (  resid 26   and name  HB# ) 3.338 1.638 2.038 peak 11609 weight  1.00000E+00 volume  3.08730E+05 ppm1      2.885 ppm2      1.338 !1

ASSI {263}   (  resid 26   and name  HB# )   (  resid 55   and name  HE# ) 3.928 2.127 2.127 peak 11615 weight  1.00000E+00 volume  1.64482E+05 ppm1      2.886 ppm2      7.394

ASSI {264}   (  resid 84   and name  HB# )   (  resid 26   and name  HB# ) 3.049 1.249 1.249 peak 11860 weight  1.00000E+00 volume  6.59284E+05 ppm1      1.695 ppm2      2.885

ASSI {265}   (  resid 85   and name  HB# )   (  resid 26   and name  HB# ) 4.296 2.496 2.496 peak 16730 weight  1.00000E+00 volume  1.31262E+05 ppm1      0.145 ppm2      2.896

ASSI {266}   (  resid 28   and name  HB# )   (  resid 27   and name  HB# ) 3.872 2.072 2.072 peak 10816 weight  1.00000E+00 volume  3.18676E+05 ppm1      1.381 ppm2      3.430

ASSI {267}   (( resid 29   and name  HB1 ))   (  resid 28   and name  HB# ) 4.134 2.334 2.334 peak 13981 weight  1.00000E+00 volume  1.30595E+05 ppm1      2.671 ppm2      1.390

ASSI {268}   (( resid 50   and name  HB2 ))   (  resid 28   and name  HB# ) 3.803 2.103 4.353 peak 16874 weight  1.00000E+00 volume  3.44165E+05 ppm1      3.216 ppm2      1.371 !2

ASSI {269}   (( resid 29   and name  HB2 ))   (  resid 28   and name  HB# ) 3.822 2.022 2.022 peak 21999 weight  1.00000E+00 volume  3.30108E+05 ppm1      3.011 ppm2      1.378

ASSI {270}   (( resid 53   and name  HB2 ))   (( resid 29   and name  HB2 )) 3.294 1.594 2.024 peak 13976 weight  1.00000E+00 volume  3.58045E+05 ppm1      3.013 ppm2      2.154 !1

ASSI {271}   (( resid 53   and name  HB2 ))   (( resid 29   and name  HB1 )) 3.361 1.561 1.561 peak 13977 weight  1.00000E+00 volume  3.06549E+05 ppm1      2.665 ppm2      2.147

ASSI {272}   (( resid 53   and name  HB1 ))   (( resid 29   and name  HB2 )) 3.341 1.641 3.121 peak 13979 weight  1.00000E+00 volume  3.10427E+05 ppm1      3.013 ppm2      1.588 !1

ASSI {273}   (( resid 29   and name  HB1 ))   (( resid 29   and name  HB2 )) 2.64 0.8405 0.8405 peak 21997 weight  1.00000E+00 volume  2.52845E+06 ppm1      2.663 ppm2      3.007

ASSI {274}   (( resid 83   and name  HB2 ))   (  resid 30   and name  HE# ) 3.551 1.851 3.992 peak 10799 weight  1.00000E+00 volume  3.86834E+05 ppm1      3.736 ppm2      6.389 !2

ASSI {275}   (( resid 83   and name  HB1 ))   (  resid 30   and name  HE# ) 3.548 1.848 2.338 peak 10800 weight  1.00000E+00 volume  4.01403E+05 ppm1      3.614 ppm2      6.386 !1

ASSI {276}   (  resid 80   and name  HD2#)   (( resid 30   and name  HZ  )) 4.162 2.362 2.362 peak 10965 weight  1.00000E+00 volume  1.69301E+05 ppm1      0.870 ppm2      5.777

ASSI {277}   (( resid 80   and name  HB1 ))   (  resid 30   and name  HE# ) 4.16 2.361 2.361 peak 12709 weight  1.00000E+00 volume  1.15697E+05 ppm1      1.571 ppm2      6.370

ASSI {278}   (  resid 30   and name  HD# )   (( resid 80   and name  HB1 )) 4.166 2.366 2.366 peak 12712 weight  1.00000E+00 volume  1.12807E+05 ppm1      1.569 ppm2      6.871

ASSI {279}   (( resid 34   and name  HB1 ))   (  resid 30   and name  HE# ) 3.831 2.031 2.031 peak 14166 weight  1.00000E+00 volume  2.22804E+05 ppm1      1.879 ppm2      6.388

ASSI {280}   (( resid 34   and name  HB2 ))   (  resid 30   and name  HE# ) 3.812 2.012 2.012 peak 14167 weight  1.00000E+00 volume  2.36677E+05 ppm1      1.299 ppm2      6.388

ASSI {281}   (( resid 30   and name  HB1 ))   (( resid 30   and name  HB2 )) 3.057 1.257 1.257 peak 15487 weight  1.00000E+00 volume  6.46622E+05 ppm1      2.915 ppm2      2.710

ASSI {282}   (( resid 30   and name  HB1 ))   (( resid 33   and name  HB2 )) 3.518 1.718 1.718 peak 15490 weight  1.00000E+00 volume  2.08854E+05 ppm1      2.712 ppm2      2.229

ASSI {283}   (  resid 30   and name  HE# )   (( resid 30   and name  HB1 )) 3.952 2.151 2.151 peak 15497 weight  1.00000E+00 volume  1.63954E+05 ppm1      2.703 ppm2      6.366

ASSI {284}   (( resid 30   and name  HB2 ))   (  resid 33   and name  HD# ) 3.631 1.831 1.831 peak 15504 weight  1.00000E+00 volume  3.20619E+05 ppm1      2.911 ppm2      6.751

ASSI {285}   (( resid 30   and name  HB2 ))   (( resid 33   and name  HB1 )) 2.913 1.213 2.203 peak 16487 weight  1.00000E+00 volume  9.83952E+05 ppm1      3.109 ppm2      2.911 !1

ASSI {286}   (  resid 30   and name  HD# )   (( resid 53   and name  HB2 )) 3.532 1.832 3.752 peak 18555 weight  1.00000E+00 volume  3.92258E+05 ppm1      2.162 ppm2      6.869 !1

ASSI {287}   (( resid 37   and name  HB2 ))   (  resid 30   and name  HE# ) 4.177 2.377 2.377 peak 18617 weight  1.00000E+00 volume  1.25361E+05 ppm1      2.744 ppm2      6.375

ASSI {288}   (  resid 34   and name  HD2#)   (( resid 30   and name  HZ  )) 3.894 2.094 2.094 peak 19032 weight  1.00000E+00 volume  3.00068E+05 ppm1      0.776 ppm2      5.771

ASSI {289}   (  resid 34   and name  HD1#)   (( resid 30   and name  HZ  )) 3.574 1.774 1.774 peak 19033 weight  1.00000E+00 volume  6.03141E+05 ppm1      0.871 ppm2      5.775

ASSI {290}   (  resid 34   and name  HD2#)   (  resid 30   and name  HE# ) 3.747 1.947 1.947 peak 19034 weight  1.00000E+00 volume  8.22222E+05 ppm1      0.778 ppm2      6.370

ASSI {291}   (( resid 81   and name  HB1 ))   (  resid 30   and name  HE# ) 4.057 2.257 2.257 peak 19169 weight  1.00000E+00 volume  1.43408E+05 ppm1      3.315 ppm2      6.384

ASSI {292}   (( resid 40   and name  HG11))   (  resid 30   and name  HE# ) 4.367 2.667 3.107 peak 20004 weight  1.00000E+00 volume  8.66939E+04 ppm1      1.386 ppm2      6.379 !1

ASSI {293}   (  resid 30   and name  HD# )   (  resid 35   and name  HB# ) 3.522 1.822 5.003 peak 20072 weight  1.00000E+00 volume  4.26577E+05 ppm1      3.955 ppm2      6.836 !3

ASSI {294}   (( resid 31   and name  HB1 ))   (( resid 31   and name  HB2 )) 2.653 0.853 0.853 peak 13113 weight  1.00000E+00 volume  2.43290E+06 ppm1      3.562 ppm2      3.082

ASSI {295}   (  resid 32   and name  HG2#)   (( resid 32   and name  HB  )) 2.66 0.86 0.86 peak 17795 weight  1.00000E+00 volume  7.69684E+06 ppm1      0.544 ppm2      3.612

ASSI {296}   (( resid 33   and name  HB1 ))   (( resid 33   and name  HB2 )) 2.717 0.917 0.917 peak 16469 weight  1.00000E+00 volume  2.00836E+06 ppm1      3.104 ppm2      2.243

ASSI {297}   (( resid 33   and name  HB2 ))   (( resid 34   and name  HG  )) 3.687 1.987 2.837 peak 16474 weight  1.00000E+00 volume  1.53989E+05 ppm1      2.240 ppm2      1.716 !1

ASSI {298}   (  resid 34   and name  HD1#)   (( resid 33   and name  HB1 )) 4.231 2.431 2.431 peak 16479 weight  1.00000E+00 volume  1.47215E+05 ppm1      3.106 ppm2      0.868

ASSI {299}   (  resid 34   and name  HD2#)   (( resid 33   and name  HB1 )) 4.314 2.614 3.224 peak 16480 weight  1.00000E+00 volume  1.25509E+05 ppm1      3.107 ppm2      0.785 !1

ASSI {300}   (  resid 34   and name  HD2#)   (( resid 33   and name  HB2 )) 4.538 2.738 2.738 peak 16481 weight  1.00000E+00 volume  9.69653E+04 ppm1      2.242 ppm2      0.783

ASSI {301}   (  resid 34   and name  HD2#)   (  resid 33   and name  HD# ) 3.979 2.279 2.769 peak 19038 weight  1.00000E+00 volume  4.64262E+05 ppm1      0.788 ppm2      6.745 !1

ASSI {302}   (  resid 34   and name  HD1#)   (  resid 33   and name  HD# ) 4.055 2.255 2.255 peak 19041 weight  1.00000E+00 volume  4.45367E+05 ppm1      0.869 ppm2      6.739

ASSI {303}   (  resid 34   and name  HD2#)   (( resid 36   and name  HD1 )) 3.811 2.111 3.08 peak 11212 weight  1.00000E+00 volume  3.20578E+05 ppm1      3.239 ppm2      0.770 !1

ASSI {304}   (  resid 34   and name  HD2#)   (( resid 36   and name  HG1 )) 4.078 2.278 2.278 peak 12045 weight  1.00000E+00 volume  1.89614E+05 ppm1      1.785 ppm2      0.773

ASSI {305}   (( resid 34   and name  HB1 ))   (( resid 34   and name  HB2 )) 2.508 0.708 0.708 peak 14134 weight  1.00000E+00 volume  4.22953E+06 ppm1      1.874 ppm2      1.290

ASSI {306}   (  resid 34   and name  HD2#)   (( resid 34   and name  HB1 )) 3.406 1.606 1.606 peak 14136 weight  1.00000E+00 volume  8.06516E+05 ppm1      1.878 ppm2      0.779

ASSI {307}   (  resid 34   and name  HD2#)   (( resid 34   and name  HB2 )) 3.404 1.604 1.604 peak 14146 weight  1.00000E+00 volume  8.06502E+05 ppm1      1.299 ppm2      0.786

ASSI {308}   (( resid 34   and name  HB2 ))   (( resid 40   and name  HG12)) 3.336 1.636 6.536 peak 14147 weight  1.00000E+00 volume  3.11771E+05 ppm1      1.297 ppm2      0.715 !3

ASSI {309}   (  resid 34   and name  HD2#)   (( resid 34   and name  HG  )) 2.99 1.191 1.191 peak 17121 weight  1.00000E+00 volume  2.33909E+06 ppm1      1.703 ppm2      0.781

ASSI {310}   (( resid 37   and name  HB1 ))   (( resid 34   and name  HG  )) 3.584 1.884 2.324 peak 17124 weight  1.00000E+00 volume  1.71392E+05 ppm1      1.707 ppm2      2.630 !1

ASSI {311}   (  resid 34   and name  HD2#)   (( resid 37   and name  HB2 )) 3.611 1.811 1.811 peak 18603 weight  1.00000E+00 volume  4.98937E+05 ppm1      2.749 ppm2      0.766

ASSI {312}   (  resid 34   and name  HD2#)   (( resid 37   and name  HB1 )) 3.752 1.952 1.952 peak 18604 weight  1.00000E+00 volume  3.66992E+05 ppm1      2.631 ppm2      0.763

ASSI {313}   (  resid 34   and name  HD1#)   (( resid 40   and name  HB  )) 2.971 1.271 6.561 peak 18989 weight  1.00000E+00 volume  2.49729E+06 ppm1      0.869 ppm2      1.160 !2

ASSI {314}   (  resid 34   and name  HD1#)   (( resid 34   and name  HG  )) 3.072 1.272 1.272 peak 18997 weight  1.00000E+00 volume  2.03197E+06 ppm1      0.872 ppm2      1.705

ASSI {315}   (  resid 34   and name  HD2#)   (( resid 36   and name  HD2 )) 3.928 2.228 2.658 peak 21196 weight  1.00000E+00 volume  2.62285E+05 ppm1      3.128 ppm2      0.768 !1

ASSI {316}   (  resid 34   and name  HD1#)   (( resid 38   and name  HB1 )) 4.227 2.527 3.177 peak 23604 weight  1.00000E+00 volume  1.42776E+05 ppm1      2.341 ppm2      0.888 !1

ASSI {317}   (  resid 34   and name  HD1#)   (( resid 80   and name  HB2 )) 3.035 1.335 5.325 peak 23653 weight  1.00000E+00 volume  2.15241E+06 ppm1      0.874 ppm2      1.321 !3

ASSI {318}   (( resid 36   and name  HG1 ))   (  resid 35   and name  HB# ) 3.669 1.869 1.869 peak 12059 weight  1.00000E+00 volume  1.57347E+05 ppm1      1.795 ppm2      3.937

ASSI {319}   (( resid 36   and name  HB1 ))   (  resid 35   and name  HB# ) 3.096 1.396 2.106 peak 20065 weight  1.00000E+00 volume  5.89243E+05 ppm1      3.954 ppm2      2.057 !1

ASSI {320}   (( resid 36   and name  HG2 ))   (  resid 35   and name  HB# ) 2.91 1.21 3.34 peak 20067 weight  1.00000E+00 volume  1.03451E+06 ppm1      3.960 ppm2      1.540 !2

ASSI {321}   (( resid 36   and name  HB1 ))   (( resid 36   and name  HD2 )) 2.885 1.085 1.085 peak 11194 weight  1.00000E+00 volume  1.11451E+06 ppm1      3.137 ppm2      2.072

ASSI {322}   (( resid 36   and name  HD2 ))   (( resid 36   and name  HE  )) 2.777 0.977 0.977 peak 11199 weight  1.00000E+00 volume  1.52846E+06 ppm1      3.143 ppm2      6.784

ASSI {323}   (( resid 36   and name  HB2 ))   (( resid 36   and name  HD2 )) 2.607 0.907 1.526 peak 11207 weight  1.00000E+00 volume  2.71444E+06 ppm1      3.139 ppm2      1.757 !1

ASSI {324}   (( resid 36   and name  HB1 ))   (( resid 36   and name  HG2 )) 2.865 1.066 1.066 peak 12046 weight  1.00000E+00 volume  1.23581E+06 ppm1      1.557 ppm2      2.054

ASSI {325}   (( resid 36   and name  HB1 ))   (( resid 36   and name  HG1 )) 2.949 1.149 1.149 peak 12047 weight  1.00000E+00 volume  9.25249E+05 ppm1      1.793 ppm2      2.043

ASSI {326}   (( resid 78   and name  HB2 ))   (( resid 36   and name  HG1 )) 2.977 1.177 1.177 peak 12055 weight  1.00000E+00 volume  8.47667E+05 ppm1      1.789 ppm2      3.120

ASSI {327}   (( resid 78   and name  HB2 ))   (( resid 36   and name  HG2 )) 2.974 1.174 1.174 peak 12057 weight  1.00000E+00 volume  8.59045E+05 ppm1      1.553 ppm2      3.117

ASSI {328}   (( resid 36   and name  HG1 ))   (( resid 36   and name  HE  )) 3.386 1.587 1.587 peak 12067 weight  1.00000E+00 volume  2.75916E+05 ppm1      1.796 ppm2      6.789

ASSI {329}   (( resid 36   and name  HG2 ))   (( resid 36   and name  HE  )) 3.178 1.377 1.377 peak 12068 weight  1.00000E+00 volume  4.88919E+05 ppm1      1.551 ppm2      6.781

ASSI {330}   (( resid 36   and name  HD2 ))   (( resid 38   and name  HD21)) 3.224 1.524 2.425 peak 21193 weight  1.00000E+00 volume  4.47478E+05 ppm1      3.129 ppm2      8.528 !1

ASSI {331}   (( resid 36   and name  HD1 ))   (( resid 38   and name  HD21)) 3.373 1.573 1.573 peak 21194 weight  1.00000E+00 volume  2.89575E+05 ppm1      3.233 ppm2      8.527

ASSI {332}   (( resid 36   and name  HB1 ))   (( resid 36   and name  HE  )) 3.312 1.513 1.513 peak 21500 weight  1.00000E+00 volume  3.38563E+05 ppm1      2.068 ppm2      6.785

ASSI {333}   (( resid 37   and name  HB1 ))   (( resid 37   and name  HB2 )) 2.641 0.841 0.841 peak 18586 weight  1.00000E+00 volume  2.47478E+06 ppm1      2.750 ppm2      2.625

ASSI {334}   (( resid 80   and name  HB2 ))   (( resid 37   and name  HB2 )) 3.303 1.502 1.502 peak 18597 weight  1.00000E+00 volume  3.59033E+05 ppm1      2.761 ppm2      1.333

ASSI {335}   (( resid 80   and name  HB2 ))   (( resid 37   and name  HB1 )) 3.564 1.764 1.764 peak 18598 weight  1.00000E+00 volume  1.77261E+05 ppm1      2.620 ppm2      1.329

ASSI {336}   (( resid 37   and name  HB2 ))   (  resid 49   and name  HG2#) 3.35 1.65 4.69 peak 18602 weight  1.00000E+00 volume  9.54730E+05 ppm1      2.755 ppm2      0.840 !3

ASSI {337}   (( resid 37   and name  HB2 ))   (  resid 40   and name  HD1#) 4.397 2.597 2.597 peak 18605 weight  1.00000E+00 volume  1.09223E+05 ppm1      2.744 ppm2     -0.583

ASSI {338}   (( resid 37   and name  HB1 ))   (  resid 40   and name  HD1#) 4.551 2.751 2.751 peak 18606 weight  1.00000E+00 volume  8.81390E+04 ppm1      2.627 ppm2     -0.589

ASSI {339}   (( resid 37   and name  HB2 ))   (( resid 81   and name  HB1 )) 3.303 1.603 5.002 peak 19136 weight  1.00000E+00 volume  3.93463E+05 ppm1      3.321 ppm2      2.768 !1

ASSI {340}   (  resid 40   and name  HD1#)   (( resid 38   and name  HB2 )) 4.356 2.556 2.556 peak 18834 weight  1.00000E+00 volume  1.17120E+05 ppm1      2.769 ppm2     -0.610

ASSI {341}   (( resid 38   and name  HB2 ))   (  resid 70   and name  HE# ) 3.869 2.169 3.109 peak 18847 weight  1.00000E+00 volume  1.75039E+05 ppm1      2.775 ppm2      6.528 !1

ASSI {342}   (( resid 38   and name  HB1 ))   (  resid 70   and name  HE# ) 3.419 1.719 2.059 peak 18848 weight  1.00000E+00 volume  5.09744E+05 ppm1      2.341 ppm2      6.531 !1

ASSI {343}   (( resid 38   and name  HB1 ))   (( resid 38   and name  HD21)) 2.888 1.088 1.088 peak 18853 weight  1.00000E+00 volume  1.10294E+06 ppm1      2.336 ppm2      8.541

ASSI {344}   (( resid 38   and name  HB2 ))   (( resid 38   and name  HD21)) 2.788 0.988 0.988 peak 18854 weight  1.00000E+00 volume  1.52670E+06 ppm1      2.772 ppm2      8.545

ASSI {345}   (( resid 41   and name  HD2 ))   (( resid 39   and name  HB1 )) 3.04 1.34 4.94 peak 10518 weight  1.00000E+00 volume  7.21204E+05 ppm1      1.453 ppm2      3.849 !3

ASSI {346}   (( resid 67   and name  HB2 ))   (( resid 39   and name  HB1 )) 3.33 1.63 2.2 peak 13132 weight  1.00000E+00 volume  3.25625E+05 ppm1      3.841 ppm2      3.236 !1

ASSI {347}   (( resid 39   and name  HB1 ))   (( resid 70   and name  HB1 )) 3.476 1.776 2.896 peak 13139 weight  1.00000E+00 volume  2.44928E+05 ppm1      3.842 ppm2      2.315 !1

ASSI {348}   (( resid 69   and name  HG2 ))   (( resid 39   and name  HB1 )) 3.36 1.56 1.56 peak 13145 weight  1.00000E+00 volume  2.99285E+05 ppm1      3.844 ppm2      1.946

ASSI {349}   (  resid 40   and name  HD1#)   (( resid 39   and name  HB1 )) 4.261 2.461 2.461 peak 13156 weight  1.00000E+00 volume  1.43792E+05 ppm1      3.841 ppm2     -0.610

ASSI {350}   (( resid 39   and name  HB1 ))   (( resid 39   and name  HB2 )) 2.905 1.105 1.105 peak 13159 weight  1.00000E+00 volume  1.09473E+06 ppm1      3.840 ppm2      4.310

ASSI {351}   (( resid 68   and name  HB2 ))   (( resid 39   and name  HB2 )) 3.526 1.826 2.396 peak 15022 weight  1.00000E+00 volume  2.00152E+05 ppm1      2.143 ppm2      4.320 !1

ASSI {352}   (( resid 68   and name  HB1 ))   (( resid 39   and name  HB2 )) 3.468 1.667 1.667 peak 15023 weight  1.00000E+00 volume  2.28411E+05 ppm1      2.092 ppm2      4.317

ASSI {353}   (( resid 39   and name  HB2 ))   (( resid 68   and name  HD2 )) 3.76 2.06 2.73 peak 16931 weight  1.00000E+00 volume  1.39171E+05 ppm1      3.929 ppm2      4.337 !1

ASSI {354}   (( resid 69   and name  HG1 ))   (( resid 39   and name  HB2 )) 3.779 2.079 2.619 peak 17986 weight  1.00000E+00 volume  1.16709E+05 ppm1      2.064 ppm2      4.320 !1

ASSI {355}   (( resid 40   and name  HG12))   (( resid 83   and name  HB2 )) 3.548 1.848 5.208 peak 10789 weight  1.00000E+00 volume  2.02349E+05 ppm1      3.710 ppm2      0.716 !3

ASSI {356}   (( resid 40   and name  HG12))   (( resid 83   and name  HB1 )) 3.962 2.262 4.612 peak 10790 weight  1.00000E+00 volume  8.07689E+04 ppm1      3.619 ppm2      0.713 !3

ASSI {357}   (  resid 40   and name  HD1#)   (  resid 80   and name  HD2#) 3.492 1.792 2.572 peak 10930 weight  1.00000E+00 volume  2.14249E+06 ppm1      0.864 ppm2     -0.605 !1

ASSI {358}   (  resid 40   and name  HD1#)   (  resid 80   and name  HD1#) 4.256 2.457 2.457 peak 10987 weight  1.00000E+00 volume  4.52106E+05 ppm1      1.174 ppm2     -0.599

ASSI {359}   (( resid 62   and name  HB1 ))   (( resid 40   and name  HG12)) 3.069 1.369 4.378 peak 11018 weight  1.00000E+00 volume  6.72366E+05 ppm1      1.403 ppm2      0.717 !3

ASSI {360}   (( resid 62   and name  HB2 ))   (( resid 40   and name  HG12)) 3.093 1.393 4.202 peak 11021 weight  1.00000E+00 volume  5.93643E+05 ppm1      1.351 ppm2      0.714 !3

ASSI {361}   (( resid 62   and name  HB2 ))   (  resid 40   and name  HD1#) 4.605 2.805 2.805 peak 11028 weight  1.00000E+00 volume  7.93207E+04 ppm1      1.355 ppm2     -0.588

ASSI {362}   (( resid 40   and name  HG12))   (  resid 42   and name  HG2#) 2.788 1.088 3.918 peak 11428 weight  1.00000E+00 volume  4.81058E+06 ppm1      1.081 ppm2      0.714 !2

ASSI {363}   (  resid 40   and name  HG2#)   (  resid 42   and name  HG2#) 4.215 2.414 2.414 peak 11430 weight  1.00000E+00 volume  4.48098E+05 ppm1      1.088 ppm2      0.236

ASSI {364}   (  resid 9    and name  HG2#)   (  resid 40   and name  HD1#) 4.553 2.853 3.523 peak 11715 weight  1.00000E+00 volume  2.69716E+05 ppm1      0.552 ppm2     -0.588 !1

ASSI {365}   (  resid 40   and name  HD1#)   (( resid 73   and name  HB1 )) 4.428 2.627 2.627 peak 12356 weight  1.00000E+00 volume  1.12012E+05 ppm1      2.566 ppm2     -0.588

ASSI {366}   (( resid 41   and name  HD1 ))   (  resid 40   and name  HG2#) 4.231 2.431 2.431 peak 13500 weight  1.00000E+00 volume  1.48253E+05 ppm1      1.344 ppm2      0.232

ASSI {367}   (  resid 40   and name  HG2#)   (  resid 8    and name  HD1#) 3.482 1.683 1.683 peak 14031 weight  1.00000E+00 volume  2.20062E+06 ppm1      0.246 ppm2     -0.066

ASSI {368}   (( resid 8    and name  HG11))   (  resid 40   and name  HG2#) 3.096 1.296 1.296 peak 14032 weight  1.00000E+00 volume  1.99802E+06 ppm1      0.247 ppm2      0.517

ASSI {369}   (  resid 62   and name  HD2#)   (  resid 40   and name  HG2#) 3.453 1.653 1.653 peak 14033 weight  1.00000E+00 volume  2.38003E+06 ppm1      0.246 ppm2     -0.240

ASSI {370}   (  resid 40   and name  HG2#)   (  resid 40   and name  HD1#) 3.34 1.539 1.539 peak 14034 weight  1.00000E+00 volume  3.15414E+06 ppm1      0.246 ppm2     -0.594

ASSI {371}   (  resid 40   and name  HG2#)   (  resid 8    and name  HG2#) 3.432 1.632 1.632 peak 14035 weight  1.00000E+00 volume  2.49710E+06 ppm1      0.245 ppm2     -0.558

ASSI {372}   (( resid 8    and name  HG12))   (  resid 40   and name  HG2#) 3.377 1.577 1.577 peak 14036 weight  1.00000E+00 volume  9.49546E+05 ppm1      0.247 ppm2     -0.779

ASSI {373}   (  resid 40   and name  HG2#)   (( resid 40   and name  HG12)) 2.855 1.055 1.055 peak 14037 weight  1.00000E+00 volume  3.88099E+06 ppm1      0.247 ppm2      0.704

ASSI {374}   (( resid 41   and name  HB2 ))   (  resid 40   and name  HG2#) 3.844 2.044 2.044 peak 14042 weight  1.00000E+00 volume  3.18855E+05 ppm1      0.251 ppm2      1.686
OR {374}   (( resid 41   and name  HE2 ))   (  resid 40   and name  HG2#)

ASSI {375}   (( resid 40   and name  HB  ))   (  resid 42   and name  HG1#) 3.51 1.81 4.35 peak 14443 weight  1.00000E+00 volume  6.12951E+05 ppm1      1.180 ppm2      0.738 !2

ASSI {376}   (( resid 40   and name  HB  ))   (  resid 8    and name  HD1#) 4.254 2.454 2.454 peak 14446 weight  1.00000E+00 volume  1.47678E+05 ppm1      1.177 ppm2     -0.055

ASSI {377}   (  resid 62   and name  HD2#)   (( resid 40   and name  HB  )) 3.619 1.819 1.819 peak 14447 weight  1.00000E+00 volume  5.40402E+05 ppm1      1.176 ppm2     -0.242

ASSI {378}   (( resid 40   and name  HB  ))   (  resid 40   and name  HD1#) 3.415 1.615 1.615 peak 14448 weight  1.00000E+00 volume  8.42935E+05 ppm1      1.176 ppm2     -0.598

ASSI {379}   (( resid 69   and name  HB1 ))   (( resid 40   and name  HB  )) 3.055 1.355 5.585 peak 14451 weight  1.00000E+00 volume  7.22225E+05 ppm1      1.179 ppm2      1.791 !2

ASSI {380}   (( resid 40   and name  HB  ))   (( resid 67   and name  HB2 )) 3.274 1.474 1.474 peak 14456 weight  1.00000E+00 volume  4.01269E+05 ppm1      1.181 ppm2      3.234

ASSI {381}   (  resid 40   and name  HD1#)   (  resid 49   and name  HG2#) 3.827 2.027 2.027 peak 16607 weight  1.00000E+00 volume  1.04805E+06 ppm1      0.831 ppm2     -0.588

ASSI {382}   (  resid 40   and name  HD1#)   (  resid 49   and name  HG1#) 3.551 1.752 1.752 peak 16608 weight  1.00000E+00 volume  1.90439E+06 ppm1      1.069 ppm2     -0.581

ASSI {383}   (( resid 40   and name  HG12))   (( resid 67   and name  HB1 )) 3.776 2.076 3.186 peak 16879 weight  1.00000E+00 volume  1.10946E+05 ppm1      3.807 ppm2      0.719 !2

ASSI {384}   (  resid 40   and name  HD1#)   (( resid 67   and name  HB1 )) 4.135 2.335 2.335 peak 16885 weight  1.00000E+00 volume  1.72142E+05 ppm1      3.809 ppm2     -0.599

ASSI {385}   (  resid 40   and name  HG2#)   (( resid 43   and name  HG2 )) 4.088 2.388 4.158 peak 17351 weight  1.00000E+00 volume  2.10612E+05 ppm1      2.198 ppm2      0.241 !2

ASSI {386}   (( resid 40   and name  HG12))   (  resid 8    and name  HG2#) 3.324 1.624 2.873 peak 17572 weight  1.00000E+00 volume  9.62813E+05 ppm1     -0.560 ppm2      0.711 !2

ASSI {387}   (( resid 62   and name  HG  ))   (  resid 40   and name  HD1#) 3.854 2.054 2.054 peak 17770 weight  1.00000E+00 volume  3.50741E+05 ppm1      1.102 ppm2     -0.583

ASSI {388}   (( resid 8    and name  HG11))   (( resid 40   and name  HG12)) 2.998 1.298 1.738 peak 18927 weight  1.00000E+00 volume  7.92973E+05 ppm1      0.525 ppm2      0.696 !1

ASSI {389}   (( resid 8    and name  HG12))   (( resid 40   and name  HG12)) 3.241 1.441 1.441 peak 18928 weight  1.00000E+00 volume  4.26867E+05 ppm1     -0.786 ppm2      0.718

ASSI {390}   (  resid 40   and name  HD1#)   (( resid 80   and name  HG  )) 4.146 2.346 2.346 peak 19333 weight  1.00000E+00 volume  1.89982E+05 ppm1      1.795 ppm2     -0.591

ASSI {391}   (  resid 62   and name  HD2#)   (  resid 40   and name  HD1#) 3.318 1.518 1.518 peak 19629 weight  1.00000E+00 volume  3.34552E+06 ppm1     -0.240 ppm2     -0.597

ASSI {392}   (  resid 62   and name  HD1#)   (  resid 40   and name  HD1#) 3.588 1.788 1.788 peak 19630 weight  1.00000E+00 volume  1.77180E+06 ppm1      0.278 ppm2     -0.598

ASSI {393}   (( resid 40   and name  HG11))   (( resid 40   and name  HG12)) 3.04 1.24 1.24 peak 19983 weight  1.00000E+00 volume  7.10757E+05 ppm1      1.394 ppm2      0.707

ASSI {394}   (( resid 40   and name  HG11))   (  resid 8    and name  HD1#) 4.4 2.6 2.6 peak 19986 weight  1.00000E+00 volume  1.22567E+05 ppm1      1.385 ppm2     -0.072

ASSI {395}   (  resid 62   and name  HD2#)   (( resid 40   and name  HG11)) 4.187 2.387 2.387 peak 19987 weight  1.00000E+00 volume  1.78283E+05 ppm1      1.380 ppm2     -0.238

ASSI {396}   (( resid 40   and name  HG11))   (  resid 40   and name  HD1#) 3.333 1.633 2.343 peak 19990 weight  1.00000E+00 volume  1.03078E+06 ppm1      1.396 ppm2     -0.593 !1

ASSI {397}   (( resid 8    and name  HB  ))   (( resid 40   and name  HG12)) 3.489 1.789 3.428 peak 20340 weight  1.00000E+00 volume  2.28007E+05 ppm1     -0.373 ppm2      0.717 !2

ASSI {398}   (  resid 40   and name  HD1#)   (  resid 8    and name  HD1#) 3.95 2.15 2.15 peak 20753 weight  1.00000E+00 volume  8.03630E+05 ppm1     -0.591 ppm2     -0.072

ASSI {399}   (( resid 40   and name  HG12))   (  resid 40   and name  HD1#) 3.045 1.245 1.245 peak 20758 weight  1.00000E+00 volume  2.11748E+06 ppm1     -0.585 ppm2      0.705

ASSI {400}   (( resid 41   and name  HB1 ))   (  resid 40   and name  HD1#) 4.107 2.407 3.598 peak 20764 weight  1.00000E+00 volume  1.92578E+05 ppm1     -0.589 ppm2      1.735 !2

ASSI {401}   (  resid 40   and name  HD1#)   (( resid 73   and name  HB2 )) 4.314 2.514 2.514 peak 20770 weight  1.00000E+00 volume  1.35368E+05 ppm1     -0.591 ppm2      3.453

ASSI {402}   (  resid 40   and name  HD1#)   (( resid 83   and name  HB1 )) 4.425 2.624 2.624 peak 20771 weight  1.00000E+00 volume  1.06745E+05 ppm1     -0.594 ppm2      3.615

ASSI {403}   (  resid 40   and name  HG2#)   (( resid 9    and name  HB  )) 3.933 2.133 2.133 peak 20812 weight  1.00000E+00 volume  2.82806E+05 ppm1      3.516 ppm2      0.233

ASSI {404}   (  resid 40   and name  HD1#)   (( resid 49   and name  HB  )) 4.022 2.222 2.222 peak 21332 weight  1.00000E+00 volume  2.19272E+05 ppm1      2.308 ppm2     -0.594

ASSI {405}   (( resid 41   and name  HG1 ))   (  resid 62   and name  HD1#) 3.608 1.908 4.608 peak 11530 weight  1.00000E+00 volume  5.04586E+05 ppm1      0.798 ppm2      0.281 !3

ASSI {406}   (  resid 9    and name  HG2#)   (( resid 41   and name  HB2 )) 3.576 1.876 2.526 peak 11720 weight  1.00000E+00 volume  5.60338E+05 ppm1      0.553 ppm2      1.683 !1
OR {406}   (  resid 9    and name  HG2#)   (( resid 41   and name  HE2 ))

ASSI {407}   (( resid 41   and name  HG1 ))   (  resid 66   and name  HB# ) 3.071 1.371 2.921 peak 13050 weight  1.00000E+00 volume  6.34589E+05 ppm1      1.999 ppm2      0.786 !2

ASSI {408}   (( resid 41   and name  HD1 ))   (  resid 9    and name  HG2#) 3.761 1.962 1.962 peak 13497 weight  1.00000E+00 volume  3.84332E+05 ppm1      1.350 ppm2      0.551

ASSI {409}   (( resid 41   and name  HD1 ))   (( resid 41   and name  HE1 )) 2.802 1.002 1.002 peak 13502 weight  1.00000E+00 volume  1.46119E+06 ppm1      1.355 ppm2      1.945

ASSI {410}   (( resid 41   and name  HE1 ))   (( resid 41   and name  HE2 )) 2.436 0.636 0.636 peak 14414 weight  1.00000E+00 volume  5.38396E+06 ppm1      1.939 ppm2      1.690
OR {410}   (( resid 41   and name  HB2 ))   (( resid 41   and name  HE1 ))

ASSI {411}   (( resid 41   and name  HD1 ))   (( resid 41   and name  HE2 )) 2.653 0.853 0.853 peak 14419 weight  1.00000E+00 volume  2.33077E+06 ppm1      1.688 ppm2      1.358

ASSI {412}   (( resid 41   and name  HG1 ))   (( resid 41   and name  HE2 )) 2.78 0.98 0.98 peak 14420 weight  1.00000E+00 volume  1.55551E+06 ppm1      1.686 ppm2      0.784

ASSI {413}   (( resid 41   and name  HG1 ))   (( resid 41   and name  HE1 )) 3.008 1.208 1.208 peak 14422 weight  1.00000E+00 volume  8.16175E+05 ppm1      1.953 ppm2      0.800

ASSI {414}   (( resid 41   and name  HB2 ))   (( resid 66   and name  HG1 )) 2.793 1.093 1.493 peak 14609 weight  1.00000E+00 volume  1.43131E+06 ppm1      1.904 ppm2      1.676 !1
OR {414}   (( resid 41   and name  HE2 ))   (( resid 66   and name  HG1 ))

ASSI {415}   (( resid 41   and name  HD1 ))   (( resid 66   and name  HG1 )) 2.976 1.276 3.806 peak 14611 weight  1.00000E+00 volume  8.67595E+05 ppm1      1.889 ppm2      1.332 !3

ASSI {416}   (( resid 41   and name  HD1 ))   (( resid 66   and name  HG2 )) 3.003 1.303 1.703 peak 14612 weight  1.00000E+00 volume  7.94948E+05 ppm1      2.274 ppm2      1.330 !1

ASSI {417}   (( resid 41   and name  HG1 ))   (( resid 66   and name  HG1 )) 3.026 1.326 4.876 peak 14613 weight  1.00000E+00 volume  7.44756E+05 ppm1      1.894 ppm2      0.791 !3

ASSI {418}   (( resid 41   and name  HB2 ))   (( resid 67   and name  HB2 )) 3.351 1.651 2.771 peak 16870 weight  1.00000E+00 volume  3.11251E+05 ppm1      3.218 ppm2      1.677 !1
OR {418}   (( resid 41   and name  HE2 ))   (( resid 67   and name  HB2 ))

ASSI {419}   (( resid 41   and name  HB1 ))   (( resid 9    and name  HB  )) 3.21 1.51 2.859 peak 17140 weight  1.00000E+00 volume  4.91230E+05 ppm1      1.745 ppm2      3.505 !2

ASSI {420}   (( resid 41   and name  HB1 ))   (( resid 65   and name  HA1 )) 3.75 2.05 3.23 peak 17141 weight  1.00000E+00 volume  1.26213E+05 ppm1      1.738 ppm2      4.263 !1

ASSI {421}   (( resid 41   and name  HB2 ))   (( resid 7    and name  HG2 )) 2.708 1.008 4.538 peak 17258 weight  1.00000E+00 volume  1.93918E+06 ppm1      1.192 ppm2      1.678 !3
OR {421}   (( resid 41   and name  HE2 ))   (( resid 7    and name  HG2 ))

ASSI {422}   (( resid 41   and name  HE1 ))   (( resid 65   and name  HA1 )) 3.199 1.499 5.108 peak 19474 weight  1.00000E+00 volume  4.69839E+05 ppm1      4.250 ppm2      1.951 !2

ASSI {423}   (( resid 41   and name  HB2 ))   (( resid 9    and name  HB  )) 2.947 1.247 2.287 peak 20805 weight  1.00000E+00 volume  9.62978E+05 ppm1      3.523 ppm2      1.682 !2
OR {423}   (( resid 41   and name  HE2 ))   (( resid 9    and name  HB  ))

ASSI {424}   (( resid 41   and name  HD2 ))   (( resid 66   and name  HG2 )) 3.144 1.444 2.104 peak 21858 weight  1.00000E+00 volume  5.21487E+05 ppm1      1.454 ppm2      2.269 !1

ASSI {425}   (( resid 41   and name  HD1 ))   (( resid 9    and name  HB  )) 3.382 1.582 1.582 peak 24272 weight  1.00000E+00 volume  3.09494E+05 ppm1      3.528 ppm2      1.342

ASSI {426}   (( resid 64   and name  HG2 ))   (  resid 42   and name  HG2#) 3.186 1.486 1.815 peak 11314 weight  1.00000E+00 volume  1.42048E+06 ppm1      2.476 ppm2      1.083 !1

ASSI {427}   (( resid 64   and name  HG1 ))   (  resid 42   and name  HG2#) 2.995 1.295 4.005 peak 11315 weight  1.00000E+00 volume  2.44202E+06 ppm1      2.308 ppm2      1.071 !2

ASSI {428}   (  resid 62   and name  HD1#)   (  resid 42   and name  HG2#) 4.165 2.365 2.365 peak 11429 weight  1.00000E+00 volume  5.05829E+05 ppm1      1.089 ppm2      0.282

ASSI {429}   (  resid 8    and name  HD1#)   (  resid 42   and name  HG2#) 4.054 2.354 3.064 peak 11432 weight  1.00000E+00 volume  6.48005E+05 ppm1      1.081 ppm2     -0.067 !1

ASSI {430}   (  resid 8    and name  HG2#)   (  resid 42   and name  HG2#) 4.42 2.619 2.619 peak 11436 weight  1.00000E+00 volume  3.49556E+05 ppm1      1.082 ppm2     -0.570

ASSI {431}   (( resid 8    and name  HB  ))   (  resid 42   and name  HG2#) 3.816 2.116 2.766 peak 11437 weight  1.00000E+00 volume  3.59158E+05 ppm1      1.087 ppm2     -0.356 !1

ASSI {432}   (( resid 8    and name  HG12))   (  resid 42   and name  HG2#) 4.062 2.362 3.142 peak 11438 weight  1.00000E+00 volume  2.10857E+05 ppm1      1.084 ppm2     -0.771 !1

ASSI {433}   (( resid 7    and name  HB1 ))   (  resid 42   and name  HG2#) 3.766 2.066 2.526 peak 11441 weight  1.00000E+00 volume  3.63776E+05 ppm1      1.088 ppm2      1.634 !1

ASSI {434}   (  resid 42   and name  HG2#)   (( resid 47   and name  HD1 )) 2.937 1.237 1.887 peak 11474 weight  1.00000E+00 volume  3.02918E+06 ppm1      1.082 ppm2      6.960 !1
OR {434}   (  resid 42   and name  HG2#)   (( resid 47   and name  HZ2 ))

ASSI {435}   (  resid 42   and name  HG2#)   (( resid 47   and name  HE1 )) 3.806 2.006 2.006 peak 11480 weight  1.00000E+00 volume  3.52402E+05 ppm1      1.089 ppm2      9.473

ASSI {436}   (( resid 64   and name  HB2 ))   (  resid 42   and name  HG2#) 3.422 1.722 2.122 peak 13450 weight  1.00000E+00 volume  8.33926E+05 ppm1      2.113 ppm2      1.079 !1

ASSI {437}   (( resid 64   and name  HB1 ))   (  resid 42   and name  HG2#) 3.417 1.717 2.607 peak 13451 weight  1.00000E+00 volume  8.51489E+05 ppm1      2.014 ppm2      1.087 !1

ASSI {438}   (( resid 43   and name  HB1 ))   (  resid 42   and name  HG1#) 3.613 1.913 3.213 peak 17534 weight  1.00000E+00 volume  5.07350E+05 ppm1      2.053 ppm2      0.756 !1

ASSI {439}   (( resid 44   and name  HA1 ))   (  resid 42   and name  HG2#) 3.942 2.143 2.143 peak 18792 weight  1.00000E+00 volume  2.62543E+05 ppm1      4.237 ppm2      1.086

ASSI {440}   (  resid 62   and name  HD1#)   (( resid 42   and name  HB  )) 4.191 2.39 2.39 peak 20666 weight  1.00000E+00 volume  1.64848E+05 ppm1      2.469 ppm2      0.274

ASSI {441}   (( resid 9    and name  HB  ))   (  resid 42   and name  HG1#) 3.933 2.233 2.663 peak 20809 weight  1.00000E+00 volume  2.88635E+05 ppm1      3.525 ppm2      0.737 !1

ASSI {442}   (( resid 65   and name  HA1 ))   (  resid 42   and name  HG1#) 4.364 2.564 2.564 peak 23798 weight  1.00000E+00 volume  1.16230E+05 ppm1      4.259 ppm2      0.719

ASSI {443}   (  resid 67   and name  HE# )   (( resid 42   and name  HB  )) 3.422 1.722 2.412 peak 24229 weight  1.00000E+00 volume  5.25540E+05 ppm1      2.483 ppm2      6.826 !1

ASSI {444}   (( resid 7    and name  HG1 ))   (( resid 43   and name  HB2 )) 2.759 1.059 1.469 peak 10911 weight  1.00000E+00 volume  1.65681E+06 ppm1      1.170 ppm2      1.917 !1

ASSI {445}   (( resid 7    and name  HG2 ))   (( resid 43   and name  HB2 )) 2.943 1.143 1.143 peak 17261 weight  1.00000E+00 volume  9.30139E+05 ppm1      1.211 ppm2      1.916

ASSI {446}   (( resid 43   and name  HG2 ))   (( resid 43   and name  HB1 )) 2.426 0.6265 0.6265 peak 17524 weight  1.00000E+00 volume  5.49076E+06 ppm1      2.050 ppm2      2.210

ASSI {447}   (( resid 43   and name  HG2 ))   (( resid 43   and name  HB2 )) 2.552 0.752 0.752 peak 17525 weight  1.00000E+00 volume  3.29189E+06 ppm1      1.900 ppm2      2.202

ASSI {448}   (( resid 43   and name  HB1 ))   (( resid 43   and name  HB2 )) 2.325 0.525 0.525 peak 17526 weight  1.00000E+00 volume  8.04656E+06 ppm1      1.903 ppm2      2.064

ASSI {449}   (( resid 7    and name  HG2 ))   (( resid 43   and name  HB1 )) 2.934 1.134 1.134 peak 17531 weight  1.00000E+00 volume  1.03395E+06 ppm1      2.050 ppm2      1.217

ASSI {450}   (( resid 7    and name  HE1 ))   (( resid 43   and name  HB1 )) 3.18 1.48 2.25 peak 17536 weight  1.00000E+00 volume  4.72469E+05 ppm1      2.059 ppm2      2.720 !1

ASSI {451}   (( resid 44   and name  HA2 ))   (( resid 43   and name  HB1 )) 3.479 1.679 1.679 peak 18770 weight  1.00000E+00 volume  2.34019E+05 ppm1      4.092 ppm2      2.052

ASSI {452}   (( resid 44   and name  HA1 ))   (( resid 43   and name  HB1 )) 3.361 1.661 2.011 peak 18789 weight  1.00000E+00 volume  3.11650E+05 ppm1      4.234 ppm2      2.052 !1

ASSI {453}   (( resid 44   and name  HA1 ))   (( resid 43   and name  HB2 )) 3.717 1.917 1.917 peak 18791 weight  1.00000E+00 volume  1.33562E+05 ppm1      4.231 ppm2      1.900

ASSI {454}   (( resid 7    and name  HE1 ))   (( resid 43   and name  HG1 )) 2.955 1.255 2.045 peak 19566 weight  1.00000E+00 volume  8.78962E+05 ppm1      2.741 ppm2      2.159 !1

ASSI {455}   (( resid 46   and name  HB  ))   (( resid 44   and name  HA2 )) 3.535 1.835 5.975 peak 13372 weight  1.00000E+00 volume  2.09032E+05 ppm1      3.646 ppm2      4.086 !2

ASSI {456}   (( resid 44   and name  HA2 ))   (( resid 45   and name  HA1 )) 3.216 1.516 1.977 peak 18765 weight  1.00000E+00 volume  4.09531E+05 ppm1      4.086 ppm2      3.845 !1

ASSI {457}   (( resid 7    and name  HB2 ))   (( resid 44   and name  HA2 )) 3.791 1.991 1.991 peak 18771 weight  1.00000E+00 volume  1.18890E+05 ppm1      4.072 ppm2      1.740

ASSI {458}   (( resid 44   and name  HA2 ))   (( resid 47   and name  HD1 )) 3.872 2.172 2.842 peak 18777 weight  1.00000E+00 volume  1.06382E+05 ppm1      4.078 ppm2      6.958 !1
OR {458}   (( resid 44   and name  HA2 ))   (( resid 47   and name  HZ2 ))

ASSI {459}   (( resid 65   and name  HA2 ))   (( resid 44   and name  HA1 )) 2.945 1.245 6.635 peak 18786 weight  1.00000E+00 volume  8.80286E+05 ppm1      4.233 ppm2      3.882 !2

ASSI {460}   (( resid 64   and name  HG1 ))   (( resid 44   and name  HA1 )) 3.588 1.888 2.688 peak 18788 weight  1.00000E+00 volume  1.82735E+05 ppm1      4.234 ppm2      2.296 !1

ASSI {461}   (( resid 7    and name  HG1 ))   (( resid 45   and name  HA2 )) 3.414 1.714 6.484 peak 10944 weight  1.00000E+00 volume  2.67497E+05 ppm1      1.186 ppm2      4.034 !2

ASSI {462}   (( resid 64   and name  HG1 ))   (( resid 45   and name  HA1 )) 2.966 1.266 2.576 peak 11357 weight  1.00000E+00 volume  8.46196E+05 ppm1      2.307 ppm2      3.858 !1

ASSI {463}   (( resid 64   and name  HB2 ))   (( resid 45   and name  HA1 )) 3.304 1.604 2.394 peak 13457 weight  1.00000E+00 volume  3.41191E+05 ppm1      2.115 ppm2      3.850 !1

ASSI {464}   (( resid 64   and name  HB1 ))   (( resid 45   and name  HA1 )) 2.968 1.268 2.688 peak 13458 weight  1.00000E+00 volume  8.37218E+05 ppm1      2.020 ppm2      3.846 !1

ASSI {465}   (( resid 88   and name  HG  ))   (( resid 45   and name  HA1 )) 3.207 1.507 3.546 peak 15593 weight  1.00000E+00 volume  4.40795E+05 ppm1      1.586 ppm2      3.856 !3

ASSI {466}   (  resid 85   and name  HB# )   (( resid 45   and name  HA1 )) 4.639 2.839 2.839 peak 16734 weight  1.00000E+00 volume  7.13088E+04 ppm1      0.139 ppm2      3.854

ASSI {467}   (( resid 7    and name  HG2 ))   (( resid 45   and name  HA2 )) 3.562 1.862 5.502 peak 17271 weight  1.00000E+00 volume  1.88808E+05 ppm1      1.213 ppm2      4.035 !2

ASSI {468}   (( resid 46   and name  HB  ))   (( resid 45   and name  HA1 )) 2.904 1.204 1.963 peak 19798 weight  1.00000E+00 volume  1.04144E+06 ppm1      3.845 ppm2      3.639 !1

ASSI {469}   (( resid 7    and name  HB1 ))   (( resid 45   and name  HA1 )) 3.625 1.925 3.695 peak 20506 weight  1.00000E+00 volume  1.70927E+05 ppm1      1.650 ppm2      3.854 !2

ASSI {470}   (  resid 88   and name  HD1#)   (( resid 45   and name  HA1 )) 3.628 1.928 2.718 peak 22310 weight  1.00000E+00 volume  5.47974E+05 ppm1      0.724 ppm2      3.844 !1

ASSI {471}   (( resid 46   and name  HB  ))   (( resid 86   and name  HB  )) 2.817 1.017 1.017 peak 13373 weight  1.00000E+00 volume  1.45469E+06 ppm1      3.643 ppm2      1.554

ASSI {472}   (( resid 46   and name  HB  ))   (  resid 88   and name  HD1#) 3.085 1.385 2.304 peak 13376 weight  1.00000E+00 volume  1.98527E+06 ppm1      3.644 ppm2      0.720 !1

ASSI {473}   (( resid 46   and name  HB  ))   (  resid 85   and name  HB# ) 4.09 2.29 2.29 peak 13378 weight  1.00000E+00 volume  1.96967E+05 ppm1      3.647 ppm2      0.136

ASSI {474}   (( resid 46   and name  HB  ))   (( resid 88   and name  HG  )) 2.853 1.153 3.023 peak 15592 weight  1.00000E+00 volume  1.23652E+06 ppm1      1.580 ppm2      3.640 !2

ASSI {475}   (( resid 62   and name  HG  ))   (  resid 46   and name  HG2#) 3.591 1.891 3.212 peak 17764 weight  1.00000E+00 volume  5.91529E+05 ppm1      1.101 ppm2      0.908 !2

ASSI {476}   (( resid 46   and name  HB  ))   (  resid 88   and name  HD2#) 3.199 1.398 1.398 peak 20528 weight  1.00000E+00 volume  1.57437E+06 ppm1      0.789 ppm2      3.634

ASSI {477}   (( resid 83   and name  HB1 ))   (( resid 47   and name  HB2 )) 3.601 1.901 2.941 peak 10773 weight  1.00000E+00 volume  1.70654E+05 ppm1      3.619 ppm2      2.650 !1

ASSI {478}   (( resid 83   and name  HB2 ))   (( resid 47   and name  HB2 )) 3.558 1.758 1.758 peak 10774 weight  1.00000E+00 volume  1.88554E+05 ppm1      3.728 ppm2      2.645

ASSI {479}   (( resid 62   and name  HB1 ))   (( resid 47   and name  HB2 )) 3.825 2.025 2.025 peak 11037 weight  1.00000E+00 volume  1.08425E+05 ppm1      1.402 ppm2      2.671

ASSI {480}   (( resid 62   and name  HB2 ))   (( resid 47   and name  HB2 )) 3.894 2.094 2.094 peak 11038 weight  1.00000E+00 volume  9.59383E+04 ppm1      1.356 ppm2      2.667

ASSI {481}   (( resid 49   and name  HB  ))   (( resid 47   and name  HB2 )) 3.014 1.314 4.164 peak 11762 weight  1.00000E+00 volume  7.73905E+05 ppm1      2.309 ppm2      2.675 !3

ASSI {482}   (( resid 47   and name  HB1 ))   (( resid 47   and name  HB2 )) 2.712 0.9125 0.9125 peak 12002 weight  1.00000E+00 volume  1.97049E+06 ppm1      2.928 ppm2      2.663

ASSI {483}   (  resid 84   and name  HG# )   (( resid 47   and name  HB1 )) 3.643 1.943 3.483 peak 12005 weight  1.00000E+00 volume  1.55212E+05 ppm1      2.937 ppm2      1.327 !2

ASSI {484}   (  resid 85   and name  HB# )   (( resid 47   and name  HB1 )) 4.368 2.568 2.568 peak 12014 weight  1.00000E+00 volume  1.16603E+05 ppm1      2.936 ppm2      0.144

ASSI {485}   (  resid 85   and name  HB# )   (( resid 47   and name  HB2 )) 4.521 2.721 2.721 peak 12017 weight  1.00000E+00 volume  9.07857E+04 ppm1      2.665 ppm2      0.144

ASSI {486}   (  resid 8    and name  HD1#)   (( resid 47   and name  HB1 )) 3.619 1.818 1.818 peak 12018 weight  1.00000E+00 volume  5.18637E+05 ppm1      2.935 ppm2     -0.067

ASSI {487}   (  resid 8    and name  HD1#)   (( resid 47   and name  HB2 )) 3.624 1.824 1.824 peak 12019 weight  1.00000E+00 volume  5.23401E+05 ppm1      2.672 ppm2     -0.069

ASSI {488}   (  resid 62   and name  HD2#)   (( resid 47   and name  HB1 )) 4.502 2.702 2.702 peak 12020 weight  1.00000E+00 volume  8.60791E+04 ppm1      2.926 ppm2     -0.251

ASSI {489}   (  resid 8    and name  HG2#)   (( resid 47   and name  HB1 )) 4.518 2.718 2.718 peak 12021 weight  1.00000E+00 volume  8.99334E+04 ppm1      2.937 ppm2     -0.568

ASSI {490}   (  resid 8    and name  HG2#)   (( resid 47   and name  HB2 )) 4.136 2.337 2.337 peak 12022 weight  1.00000E+00 volume  1.84699E+05 ppm1      2.660 ppm2     -0.572

ASSI {491}   (( resid 8    and name  HG12))   (( resid 47   and name  HB1 )) 3.894 2.194 2.835 peak 12023 weight  1.00000E+00 volume  9.97101E+04 ppm1      2.928 ppm2     -0.771 !1

ASSI {492}   (( resid 83   and name  HB1 ))   (( resid 47   and name  HB1 )) 3.837 2.037 2.037 peak 12025 weight  1.00000E+00 volume  1.02779E+05 ppm1      2.929 ppm2      3.605

ASSI {493}   (( resid 83   and name  HB2 ))   (( resid 47   and name  HB1 )) 3.896 2.196 2.756 peak 12026 weight  1.00000E+00 volume  8.96907E+04 ppm1      2.930 ppm2      3.723 !1

ASSI {494}   (( resid 47   and name  HB1 ))   (( resid 47   and name  HE3 )) 3.152 1.352 1.352 peak 12037 weight  1.00000E+00 volume  5.34381E+05 ppm1      2.927 ppm2      7.186

ASSI {495}   (( resid 47   and name  HB2 ))   (( resid 47   and name  HE3 )) 3.307 1.507 1.507 peak 12038 weight  1.00000E+00 volume  3.58027E+05 ppm1      2.660 ppm2      7.188

ASSI {496}   (( resid 64   and name  HB1 ))   (( resid 47   and name  HB2 )) 3.389 1.689 5.929 peak 13456 weight  1.00000E+00 volume  3.08005E+05 ppm1      2.019 ppm2      2.669 !2

ASSI {497}   (  resid 49   and name  HG1#)   (( resid 47   and name  HB2 )) 3.471 1.671 1.671 peak 16625 weight  1.00000E+00 volume  7.38971E+05 ppm1      1.069 ppm2      2.665

ASSI {498}   (  resid 49   and name  HG2#)   (( resid 47   and name  HB2 )) 3.921 2.121 2.121 peak 16626 weight  1.00000E+00 volume  2.63869E+05 ppm1      0.833 ppm2      2.667

ASSI {499}   (  resid 49   and name  HG1#)   (( resid 47   and name  HE3 )) 3.535 1.735 1.735 peak 16662 weight  1.00000E+00 volume  6.22369E+05 ppm1      1.075 ppm2      7.183

ASSI {500}   (  resid 49   and name  HG2#)   (( resid 47   and name  HE3 )) 3.508 1.808 2.728 peak 16664 weight  1.00000E+00 volume  6.43920E+05 ppm1      0.826 ppm2      7.185 !1

ASSI {501}   (( resid 86   and name  HB  ))   (( resid 47   and name  HD1 )) 3.848 2.148 2.988 peak 18403 weight  1.00000E+00 volume  9.90756E+04 ppm1      1.559 ppm2      6.983 !1

ASSI {502}   (( resid 61   and name  HB  ))   (( resid 47   and name  HB1 )) 3.42 1.72 4.519 peak 19506 weight  1.00000E+00 volume  2.28961E+05 ppm1      2.053 ppm2      2.910 !1

ASSI {503}   (  resid 62   and name  HD1#)   (( resid 47   and name  HE3 )) 3.586 1.886 3.736 peak 19683 weight  1.00000E+00 volume  5.81656E+05 ppm1      0.279 ppm2      7.196 !2

ASSI {504}   (  resid 62   and name  HD1#)   (( resid 47   and name  HB2 )) 3.859 2.059 2.059 peak 23858 weight  1.00000E+00 volume  3.10390E+05 ppm1      0.284 ppm2      2.680

ASSI {505}   (  resid 48   and name  HB# )   (  resid 84   and name  HD# ) 3.991 2.191 2.191 peak 16568 weight  1.00000E+00 volume  2.27180E+05 ppm1      2.378 ppm2      1.112

ASSI {506}   (  resid 48   and name  HB# )   (( resid 63   and name  HD1 )) 3.716 2.016 4.277 peak 18230 weight  1.00000E+00 volume  4.22552E+05 ppm1      3.664 ppm2      1.129 !2

ASSI {507}   (  resid 48   and name  HB# )   (  resid 84   and name  HB# ) 3.537 1.737 1.737 peak 19378 weight  1.00000E+00 volume  6.30921E+05 ppm1      1.117 ppm2      1.680

ASSI {508}   (( resid 61   and name  HB  ))   (  resid 48   and name  HB# ) 3.778 1.978 1.978 peak 19381 weight  1.00000E+00 volume  3.75826E+05 ppm1      1.116 ppm2      2.062

ASSI {509}   (  resid 48   and name  HB# )   (( resid 84   and name  HE  )) 3.47 1.77 2.22 peak 19394 weight  1.00000E+00 volume  7.65275E+05 ppm1      1.114 ppm2      6.561 !1

ASSI {510}   (  resid 48   and name  HB# )   (  resid 85   and name  HB# ) 4.457 2.757 3.587 peak 23761 weight  1.00000E+00 volume  3.10523E+05 ppm1      1.112 ppm2      0.160 !1

ASSI {511}   (( resid 83   and name  HB2 ))   (( resid 49   and name  HB  )) 3.574 1.774 1.774 peak 10775 weight  1.00000E+00 volume  1.64505E+05 ppm1      3.727 ppm2      2.290

ASSI {512}   (  resid 62   and name  HD1#)   (( resid 49   and name  HB  )) 3.71 2.01 2.65 peak 11768 weight  1.00000E+00 volume  4.19907E+05 ppm1      2.308 ppm2      0.285 !1

ASSI {513}   (( resid 49   and name  HB  ))   (  resid 8    and name  HD1#) 4.117 2.417 3.187 peak 11769 weight  1.00000E+00 volume  1.85628E+05 ppm1      2.308 ppm2     -0.061 !1

ASSI {514}   (( resid 60   and name  HB2 ))   (  resid 49   and name  HG2#) 3.432 1.632 1.632 peak 16292 weight  1.00000E+00 volume  7.81781E+05 ppm1      3.218 ppm2      0.832

ASSI {515}   (( resid 60   and name  HB1 ))   (  resid 49   and name  HG2#) 3.35 1.55 1.55 peak 16293 weight  1.00000E+00 volume  9.67596E+05 ppm1      2.345 ppm2      0.829

ASSI {516}   (  resid 49   and name  HG2#)   (  resid 49   and name  HG1#) 3.016 1.216 1.216 peak 16593 weight  1.00000E+00 volume  7.03753E+06 ppm1      1.074 ppm2      0.841

ASSI {517}   (  resid 62   and name  HD1#)   (  resid 49   and name  HG2#) 3.287 1.487 1.487 peak 16597 weight  1.00000E+00 volume  3.58024E+06 ppm1      0.831 ppm2      0.276

ASSI {518}   (  resid 62   and name  HD1#)   (  resid 49   and name  HG1#) 3.433 1.633 1.633 peak 16598 weight  1.00000E+00 volume  2.47265E+06 ppm1      1.072 ppm2      0.275

ASSI {519}   (  resid 49   and name  HG2#)   (  resid 8    and name  HD1#) 3.996 2.196 2.196 peak 16601 weight  1.00000E+00 volume  7.55435E+05 ppm1      0.830 ppm2     -0.069

ASSI {520}   (  resid 62   and name  HD2#)   (  resid 49   and name  HG2#) 3.768 1.967 1.967 peak 16602 weight  1.00000E+00 volume  1.19174E+06 ppm1      0.831 ppm2     -0.236

ASSI {521}   (  resid 49   and name  HG1#)   (  resid 8    and name  HD1#) 3.321 1.521 1.521 peak 16603 weight  1.00000E+00 volume  3.29091E+06 ppm1      1.071 ppm2     -0.068

ASSI {522}   (  resid 62   and name  HD2#)   (  resid 49   and name  HG1#) 3.735 1.935 1.935 peak 16604 weight  1.00000E+00 volume  1.26854E+06 ppm1      1.074 ppm2     -0.240

ASSI {523}   (( resid 8    and name  HG12))   (  resid 49   and name  HG1#) 3.75 1.95 1.95 peak 16609 weight  1.00000E+00 volume  3.94657E+05 ppm1      1.068 ppm2     -0.766

ASSI {524}   (( resid 8    and name  HG12))   (  resid 49   and name  HG2#) 4.294 2.494 2.494 peak 16610 weight  1.00000E+00 volume  1.41412E+05 ppm1      0.824 ppm2     -0.784

ASSI {525}   (( resid 61   and name  HG12))   (  resid 49   and name  HG2#) 3.477 1.777 3.227 peak 16614 weight  1.00000E+00 volume  6.65039E+05 ppm1      0.839 ppm2      1.527 !2

ASSI {526}   (  resid 49   and name  HG2#)   (( resid 63   and name  HB2 )) 3.716 2.016 5.206 peak 16620 weight  1.00000E+00 volume  4.24751E+05 ppm1      0.833 ppm2      2.124 !2

ASSI {527}   (( resid 83   and name  HB2 ))   (  resid 49   and name  HG1#) 3.126 1.326 1.326 peak 16634 weight  1.00000E+00 volume  1.76485E+06 ppm1      1.072 ppm2      3.709

ASSI {528}   (( resid 83   and name  HB2 ))   (  resid 49   and name  HG2#) 3.681 1.881 1.881 peak 16635 weight  1.00000E+00 volume  4.39386E+05 ppm1      0.834 ppm2      3.699

ASSI {529}   (( resid 83   and name  HB1 ))   (  resid 49   and name  HG1#) 3.252 1.452 1.452 peak 16636 weight  1.00000E+00 volume  1.26983E+06 ppm1      1.076 ppm2      3.610

ASSI {530}   (( resid 83   and name  HB1 ))   (  resid 49   and name  HG2#) 3.654 1.854 1.854 peak 16637 weight  1.00000E+00 volume  4.63789E+05 ppm1      0.837 ppm2      3.616

ASSI {531}   (  resid 49   and name  HG2#)   (( resid 73   and name  HD1 )) 3.998 2.298 3.338 peak 16652 weight  1.00000E+00 volume  2.41197E+05 ppm1      0.832 ppm2      6.075 !2

ASSI {532}   (( resid 73   and name  HH2 ))   (  resid 49   and name  HG1#) 3.581 1.781 1.781 peak 16656 weight  1.00000E+00 volume  5.70067E+05 ppm1      1.076 ppm2      6.676
OR {532}   (( resid 73   and name  HZ3 ))   (  resid 49   and name  HG1#)

ASSI {533}   (( resid 8    and name  HG11))   (  resid 49   and name  HG2#) 3.831 2.131 2.471 peak 18929 weight  1.00000E+00 volume  3.11945E+05 ppm1      0.521 ppm2      0.832 !1

ASSI {534}   (( resid 49   and name  HB  ))   (  resid 80   and name  HD2#) 2.976 1.175 1.175 peak 21328 weight  1.00000E+00 volume  2.65650E+06 ppm1      2.312 ppm2      0.873

ASSI {535}   (  resid 49   and name  HG2#)   (( resid 49   and name  HB  )) 2.953 1.153 1.153 peak 21329 weight  1.00000E+00 volume  2.83249E+06 ppm1      2.312 ppm2      0.823

ASSI {536}   (  resid 61   and name  HD1#)   (( resid 49   and name  HB  )) 3.708 2.008 3.478 peak 21330 weight  1.00000E+00 volume  4.20948E+05 ppm1      2.309 ppm2      0.669 !2

ASSI {537}   (  resid 62   and name  HD2#)   (( resid 49   and name  HB  )) 4.23 2.43 2.43 peak 21331 weight  1.00000E+00 volume  1.61353E+05 ppm1      2.311 ppm2     -0.228

ASSI {538}   (( resid 73   and name  HZ3 ))   (( resid 49   and name  HB  )) 3.288 1.588 2.699 peak 21342 weight  1.00000E+00 volume  3.65318E+05 ppm1      2.311 ppm2      6.669 !1
OR {538}   (( resid 73   and name  HH2 ))   (( resid 49   and name  HB  ))

ASSI {539}   (( resid 62   and name  HB1 ))   (  resid 49   and name  HG1#) 3.429 1.63 1.63 peak 22863 weight  1.00000E+00 volume  7.80477E+05 ppm1      1.076 ppm2      1.411

ASSI {540}   (( resid 52   and name  HB1 ))   (( resid 50   and name  HB1 )) 3.574 1.874 2.544 peak 19543 weight  1.00000E+00 volume  1.76379E+05 ppm1      3.321 ppm2      1.226 !1

ASSI {541}   (  resid 80   and name  HD2#)   (( resid 51   and name  HG2 )) 3.554 1.755 1.755 peak 10915 weight  1.00000E+00 volume  5.77758E+05 ppm1      0.873 ppm2      1.996

ASSI {542}   (( resid 51   and name  HB1 ))   (( resid 57   and name  HA2 )) 3.017 1.217 1.217 peak 12236 weight  1.00000E+00 volume  7.59681E+05 ppm1      4.301 ppm2      2.479

ASSI {543}   (( resid 51   and name  HB1 ))   (( resid 79   and name  HB1 )) 3.048 1.348 2.108 peak 12900 weight  1.00000E+00 volume  6.69733E+05 ppm1      1.815 ppm2      2.504 !1

ASSI {544}   (( resid 79   and name  HB2 ))   (( resid 51   and name  HG1 )) 3.15 1.35 1.35 peak 12901 weight  1.00000E+00 volume  4.99695E+05 ppm1      1.902 ppm2      2.704

ASSI {545}   (( resid 79   and name  HB1 ))   (( resid 51   and name  HG1 )) 3.045 1.245 1.245 peak 12902 weight  1.00000E+00 volume  6.97630E+05 ppm1      1.816 ppm2      2.719

ASSI {546}   (( resid 51   and name  HB2 ))   (( resid 57   and name  HA2 )) 3.274 1.574 2.724 peak 13690 weight  1.00000E+00 volume  3.98053E+05 ppm1      2.615 ppm2      4.297 !2

ASSI {547}   (( resid 51   and name  HB2 ))   (  resid 58   and name  HB# ) 3.17 1.37 1.37 peak 13700 weight  1.00000E+00 volume  3.72546E+05 ppm1      2.616 ppm2      2.910

ASSI {548}   (( resid 51   and name  HB2 ))   (( resid 51   and name  HG2 )) 2.997 1.297 2.467 peak 13703 weight  1.00000E+00 volume  7.83711E+05 ppm1      2.611 ppm2      1.989 !1

ASSI {549}   (( resid 51   and name  HB1 ))   (( resid 52   and name  HB1 )) 3.862 2.062 2.062 peak 13952 weight  1.00000E+00 volume  9.60125E+04 ppm1      1.229 ppm2      2.477

ASSI {550}   (  resid 79   and name  HG# )   (( resid 51   and name  HG1 )) 2.816 1.016 1.016 peak 15232 weight  1.00000E+00 volume  1.44573E+06 ppm1      1.615 ppm2      2.720

ASSI {551}   (( resid 52   and name  HG2 ))   (( resid 51   and name  HB1 )) 3.261 1.462 1.462 peak 15254 weight  1.00000E+00 volume  3.89369E+05 ppm1      1.420 ppm2      2.480

ASSI {552}   (( resid 77   and name  HB1 ))   (( resid 51   and name  HG2 )) 3.867 2.067 2.067 peak 15314 weight  1.00000E+00 volume  9.13777E+04 ppm1      3.270 ppm2      2.005

ASSI {553}   (( resid 51   and name  HG2 ))   (  resid 56   and name  HB# ) 4.001 2.301 3.901 peak 16042 weight  1.00000E+00 volume  2.48227E+05 ppm1      1.254 ppm2      1.999 !3

ASSI {554}   (( resid 51   and name  HB1 ))   (  resid 56   and name  HB# ) 4.205 2.405 2.405 peak 16045 weight  1.00000E+00 volume  1.69882E+05 ppm1      1.251 ppm2      2.477

ASSI {555}   (( resid 51   and name  HG2 ))   (( resid 76   and name  HB2 )) 2.941 1.241 3.971 peak 16221 weight  1.00000E+00 volume  9.09384E+05 ppm1      1.984 ppm2      1.444 !4

ASSI {556}   (( resid 51   and name  HG1 ))   (( resid 76   and name  HB2 )) 3.155 1.455 1.876 peak 16222 weight  1.00000E+00 volume  4.97381E+05 ppm1      2.708 ppm2      1.446 !1

ASSI {557}   (  resid 80   and name  HD1#)   (( resid 51   and name  HG1 )) 3.843 2.143 2.732 peak 16223 weight  1.00000E+00 volume  3.10694E+05 ppm1      2.701 ppm2      1.187 !1

ASSI {558}   (( resid 51   and name  HB1 ))   (( resid 51   and name  HG1 )) 2.946 1.146 1.146 peak 16225 weight  1.00000E+00 volume  8.70123E+05 ppm1      2.699 ppm2      2.495

ASSI {559}   (( resid 51   and name  HB1 ))   (( resid 51   and name  HG2 )) 3.054 1.255 1.255 peak 16226 weight  1.00000E+00 volume  6.64239E+05 ppm1      1.985 ppm2      2.492

ASSI {560}   (( resid 51   and name  HG1 ))   (( resid 51   and name  HG2 )) 2.646 0.846 0.846 peak 16227 weight  1.00000E+00 volume  2.46920E+06 ppm1      1.982 ppm2      2.698

ASSI {561}   (  resid 58   and name  HB# )   (( resid 51   and name  HG2 )) 2.691 0.991 3.081 peak 16228 weight  1.00000E+00 volume  2.05208E+06 ppm1      1.989 ppm2      2.914 !3

ASSI {562}   (  resid 58   and name  HB# )   (( resid 51   and name  HG1 )) 3.268 1.568 2.018 peak 16229 weight  1.00000E+00 volume  3.82058E+05 ppm1      2.705 ppm2      2.909 !1

ASSI {563}   (( resid 57   and name  HA2 ))   (( resid 51   and name  HG1 )) 3.447 1.747 3.487 peak 16233 weight  1.00000E+00 volume  2.22095E+05 ppm1      2.702 ppm2      4.300 !2

ASSI {564}   (( resid 51   and name  HB2 ))   (( resid 52   and name  HD2 )) 3.109 1.409 4.128 peak 18037 weight  1.00000E+00 volume  5.96775E+05 ppm1      3.095 ppm2      2.607 !3

ASSI {565}   (( resid 51   and name  HB1 ))   (( resid 52   and name  HD1 )) 3.242 1.542 2.632 peak 18039 weight  1.00000E+00 volume  4.07898E+05 ppm1      2.986 ppm2      2.482 !1

ASSI {566}   (( resid 52   and name  HD2 ))   (( resid 51   and name  HG2 )) 2.928 1.228 2.998 peak 18041 weight  1.00000E+00 volume  9.49392E+05 ppm1      3.094 ppm2      1.985 !3

ASSI {567}   (( resid 53   and name  HB2 ))   (( resid 51   and name  HB1 )) 3.21 1.51 6.639 peak 18535 weight  1.00000E+00 volume  4.31555E+05 ppm1      2.160 ppm2      2.492 !2

ASSI {568}   (( resid 79   and name  HD2 ))   (( resid 51   and name  HG1 )) 2.933 1.233 3.383 peak 19443 weight  1.00000E+00 volume  9.29535E+05 ppm1      3.180 ppm2      2.719 !2

ASSI {569}   (( resid 51   and name  HG2 ))   (( resid 76   and name  HB1 )) 3.947 2.247 2.677 peak 20166 weight  1.00000E+00 volume  9.61804E+04 ppm1      1.283 ppm2      1.990 !1

ASSI {570}   (( resid 51   and name  HB2 ))   (( resid 57   and name  HA1 )) 3.368 1.568 1.568 peak 21462 weight  1.00000E+00 volume  3.01677E+05 ppm1      3.685 ppm2      2.616

ASSI {571}   (( resid 52   and name  HB1 ))   (( resid 52   and name  HB2 )) 2.72 0.92 0.92 peak 11948 weight  1.00000E+00 volume  1.88475E+06 ppm1      1.816 ppm2      1.208

ASSI {572}   (( resid 57   and name  HA2 ))   (( resid 52   and name  HB1 )) 3.127 1.427 3.137 peak 12244 weight  1.00000E+00 volume  6.46083E+05 ppm1      4.298 ppm2      1.221 !2

ASSI {573}   (( resid 79   and name  HB1 ))   (( resid 52   and name  HB1 )) 2.785 1.085 4.575 peak 12896 weight  1.00000E+00 volume  1.47122E+06 ppm1      1.816 ppm2      1.217 !2

ASSI {574}   (( resid 79   and name  HB2 ))   (( resid 52   and name  HB1 )) 3.188 1.488 5.438 peak 12897 weight  1.00000E+00 volume  4.42152E+05 ppm1      1.897 ppm2      1.224 !3

ASSI {575}   (( resid 54   and name  HB2 ))   (( resid 52   and name  HB2 )) 3.026 1.326 5.066 peak 12938 weight  1.00000E+00 volume  7.20395E+05 ppm1      2.715 ppm2      1.827 !2

ASSI {576}   (( resid 53   and name  HB2 ))   (( resid 52   and name  HB1 )) 3.328 1.628 2.408 peak 13950 weight  1.00000E+00 volume  3.42438E+05 ppm1      1.225 ppm2      2.166 !1

ASSI {577}   (( resid 53   and name  HB2 ))   (( resid 52   and name  HB2 )) 2.628 0.928 4.248 peak 13951 weight  1.00000E+00 volume  2.38044E+06 ppm1      1.818 ppm2      2.165 !3

ASSI {578}   (  resid 79   and name  HG# )   (( resid 52   and name  HE  )) 3.077 1.377 4.337 peak 15242 weight  1.00000E+00 volume  6.54650E+05 ppm1      1.615 ppm2      7.050 !4

ASSI {579}   (( resid 52   and name  HG1 ))   (( resid 52   and name  HG2 )) 2.424 0.6235 0.6235 peak 15252 weight  1.00000E+00 volume  5.28370E+06 ppm1      1.420 ppm2      1.477

ASSI {580}   (( resid 52   and name  HG2 ))   (( resid 53   and name  HD1 )) 3.141 1.441 1.851 peak 15269 weight  1.00000E+00 volume  5.62442E+05 ppm1      1.422 ppm2      3.596 !1

ASSI {581}   (( resid 52   and name  HG2 ))   (( resid 57   and name  HA1 )) 3.171 1.372 1.372 peak 15270 weight  1.00000E+00 volume  5.05847E+05 ppm1      1.422 ppm2      3.659

ASSI {582}   (( resid 52   and name  HB2 ))   (  resid 56   and name  HB# ) 3.041 1.241 1.241 peak 16041 weight  1.00000E+00 volume  2.25922E+06 ppm1      1.257 ppm2      1.804

ASSI {583}   (( resid 52   and name  HD2 ))   (  resid 56   and name  HB# ) 3.317 1.617 2.228 peak 16049 weight  1.00000E+00 volume  1.06973E+06 ppm1      1.259 ppm2      3.101 !1

ASSI {584}   (  resid 56   and name  HB# )   (( resid 52   and name  HE  )) 4.24 2.44 2.44 peak 16059 weight  1.00000E+00 volume  1.60555E+05 ppm1      1.253 ppm2      7.038

ASSI {585}   (( resid 53   and name  HB2 ))   (( resid 52   and name  HD2 )) 3.232 1.532 5.652 peak 17183 weight  1.00000E+00 volume  4.37340E+05 ppm1      3.085 ppm2      2.148 !2

ASSI {586}   (( resid 52   and name  HD2 ))   (( resid 57   and name  HA2 )) 3.176 1.476 1.937 peak 18053 weight  1.00000E+00 volume  5.22863E+05 ppm1      3.092 ppm2      4.283 !1

ASSI {587}   (( resid 52   and name  HG2 ))   (( resid 53   and name  HB2 )) 3.167 1.467 4.547 peak 18527 weight  1.00000E+00 volume  4.95530E+05 ppm1      2.161 ppm2      1.413 !2

ASSI {588}   (( resid 53   and name  HB1 ))   (( resid 52   and name  HB1 )) 2.834 1.134 3.254 peak 18528 weight  1.00000E+00 volume  1.27899E+06 ppm1      1.585 ppm2      1.213 !2

ASSI {589}   (( resid 52   and name  HG1 ))   (( resid 81   and name  HB2 )) 3.596 1.896 4.066 peak 19150 weight  1.00000E+00 volume  1.59836E+05 ppm1      2.981 ppm2      1.494 !3

ASSI {590}   (( resid 81   and name  HB2 ))   (( resid 52   and name  HB1 )) 3.457 1.757 2.777 peak 19151 weight  1.00000E+00 volume  2.52799E+05 ppm1      2.977 ppm2      1.212 !2

ASSI {591}   (( resid 81   and name  HB1 ))   (( resid 52   and name  HB1 )) 3.435 1.735 2.135 peak 19152 weight  1.00000E+00 volume  2.67514E+05 ppm1      3.318 ppm2      1.212 !1

ASSI {592}   (( resid 53   and name  HD2 ))   (( resid 52   and name  HB1 )) 3.005 1.205 1.205 peak 19932 weight  1.00000E+00 volume  8.13549E+05 ppm1      3.355 ppm2      1.225

ASSI {593}   (( resid 53   and name  HD1 ))   (( resid 52   and name  HB1 )) 3.006 1.207 1.207 peak 19933 weight  1.00000E+00 volume  7.97147E+05 ppm1      3.596 ppm2      1.222

ASSI {594}   (( resid 52   and name  HG2 ))   (  resid 58   and name  HB# ) 3.833 2.133 3.454 peak 20313 weight  1.00000E+00 volume  9.11423E+04 ppm1      2.911 ppm2      1.409 !1

ASSI {595}   (( resid 53   and name  HD1 ))   (( resid 52   and name  HD1 )) 3.135 1.435 3.685 peak 23327 weight  1.00000E+00 volume  5.77647E+05 ppm1      2.978 ppm2      3.616 !2

ASSI {596}   (( resid 53   and name  HB1 ))   (( resid 54   and name  HB2 )) 2.981 1.281 4.221 peak 12935 weight  1.00000E+00 volume  8.21181E+05 ppm1      2.715 ppm2      1.607 !2

ASSI {597}   (( resid 53   and name  HD1 ))   (  resid 56   and name  HB# ) 3.402 1.702 3.573 peak 16051 weight  1.00000E+00 volume  8.96832E+05 ppm1      1.257 ppm2      3.612 !3

ASSI {598}   (( resid 53   and name  HB2 ))   (  resid 55   and name  HB# ) 3.165 1.465 4.615 peak 17366 weight  1.00000E+00 volume  4.83577E+05 ppm1      1.729 ppm2      2.169 !2

ASSI {599}   (( resid 53   and name  HB1 ))   (( resid 53   and name  HG1 )) 2.591 0.791 0.791 peak 18526 weight  1.00000E+00 volume  2.88040E+06 ppm1      1.597 ppm2      1.863

ASSI {600}   (( resid 53   and name  HB1 ))   (( resid 53   and name  HB2 )) 2.527 0.727 0.727 peak 18531 weight  1.00000E+00 volume  3.75213E+06 ppm1      1.596 ppm2      2.143

ASSI {601}   (( resid 53   and name  HB2 ))   (( resid 53   and name  HD2 )) 3.182 1.382 1.382 peak 18542 weight  1.00000E+00 volume  4.86058E+05 ppm1      2.154 ppm2      3.349

ASSI {602}   (( resid 53   and name  HB1 ))   (( resid 53   and name  HD1 )) 3.168 1.368 1.368 peak 18545 weight  1.00000E+00 volume  5.09277E+05 ppm1      1.596 ppm2      3.602

ASSI {603}   (( resid 81   and name  HB1 ))   (( resid 53   and name  HG1 )) 3.131 1.431 1.911 peak 19144 weight  1.00000E+00 volume  6.01890E+05 ppm1      3.323 ppm2      1.860 !1

ASSI {604}   (( resid 81   and name  HB2 ))   (( resid 53   and name  HG1 )) 3.304 1.504 1.504 peak 19145 weight  1.00000E+00 volume  3.50034E+05 ppm1      2.974 ppm2      1.867

ASSI {605}   (( resid 53   and name  HD1 ))   (( resid 81   and name  HB1 )) 2.862 1.062 1.062 peak 19155 weight  1.00000E+00 volume  1.30326E+06 ppm1      3.322 ppm2      3.589

ASSI {606}   (( resid 53   and name  HD1 ))   (( resid 53   and name  HD2 )) 2.733 0.9335 0.9335 peak 19921 weight  1.00000E+00 volume  1.84741E+06 ppm1      3.353 ppm2      3.593

ASSI {607}   (( resid 53   and name  HD1 ))   (  resid 79   and name  HG# ) 2.936 1.236 1.836 peak 19928 weight  1.00000E+00 volume  9.09624E+05 ppm1      3.599 ppm2      1.617 !1

ASSI {608}   (( resid 53   and name  HD2 ))   (  resid 79   and name  HG# ) 3.14 1.44 3.14 peak 19929 weight  1.00000E+00 volume  5.22335E+05 ppm1      3.350 ppm2      1.622 !2

ASSI {609}   (( resid 54   and name  HB1 ))   (  resid 56   and name  HB# ) 3.43 1.63 1.63 peak 16046 weight  1.00000E+00 volume  8.49790E+05 ppm1      1.256 ppm2      2.662

ASSI {610}   (( resid 54   and name  HB2 ))   (  resid 55   and name  HB# ) 3.464 1.664 1.664 peak 17369 weight  1.00000E+00 volume  2.39664E+05 ppm1      1.723 ppm2      2.730

ASSI {611}   (  resid 84   and name  HB# )   (  resid 55   and name  HE# ) 3.653 1.853 1.853 peak 11866 weight  1.00000E+00 volume  3.12294E+05 ppm1      1.693 ppm2      7.388

ASSI {612}   (  resid 86   and name  HG2#)   (  resid 55   and name  HB# ) 4.293 2.593 4.203 peak 17364 weight  1.00000E+00 volume  1.25136E+05 ppm1      1.728 ppm2      0.630 !1

ASSI {613}   (  resid 55   and name  HB# )   (  resid 84   and name  HD# ) 2.976 1.276 2.246 peak 17367 weight  1.00000E+00 volume  8.65924E+05 ppm1      1.723 ppm2      2.387 !2

ASSI {614}   (( resid 57   and name  HA2 ))   (  resid 56   and name  HB# ) 3.5 1.7 1.7 peak 16053 weight  1.00000E+00 volume  6.43815E+05 ppm1      1.253 ppm2      4.297

ASSI {615}   (( resid 57   and name  HA1 ))   (( resid 57   and name  HA2 )) 2.626 0.826 0.826 peak 12247 weight  1.00000E+00 volume  2.65813E+06 ppm1      3.679 ppm2      4.294

ASSI {616}   (( resid 57   and name  HA1 ))   (  resid 58   and name  HD# ) 3.761 2.061 2.531 peak 12252 weight  1.00000E+00 volume  2.52529E+05 ppm1      3.674 ppm2      7.206 !1

ASSI {617}   (  resid 79   and name  HG# )   (( resid 57   and name  HA1 )) 2.817 1.117 4.018 peak 15237 weight  1.00000E+00 volume  1.34945E+06 ppm1      1.619 ppm2      3.656 !4

ASSI {618}   (( resid 76   and name  HG  ))   (  resid 58   and name  HE# ) 3.647 1.947 3.938 peak 13644 weight  1.00000E+00 volume  3.14320E+05 ppm1      1.642 ppm2      6.847 !3

ASSI {619}   (  resid 79   and name  HG# )   (  resid 58   and name  HB# ) 3.038 1.338 4.818 peak 14475 weight  1.00000E+00 volume  7.45798E+05 ppm1      1.610 ppm2      2.905 !4

ASSI {620}   (  resid 76   and name  HD2#)   (  resid 58   and name  HB# ) 3.693 1.893 1.893 peak 14931 weight  1.00000E+00 volume  4.49101E+05 ppm1      0.607 ppm2      2.903

ASSI {621}   (( resid 76   and name  HB2 ))   (  resid 58   and name  HE# ) 3.853 2.153 2.583 peak 20175 weight  1.00000E+00 volume  2.12907E+05 ppm1      1.455 ppm2      6.838 !1

ASSI {622}   (( resid 60   and name  HB2 ))   (( resid 74   and name  HG1 )) 3.641 1.941 3.971 peak 14856 weight  1.00000E+00 volume  1.62384E+05 ppm1      2.880 ppm2      3.205 !3

ASSI {623}   (( resid 60   and name  HB2 ))   (( resid 73   and name  HB1 )) 2.91 1.21 4.501 peak 16282 weight  1.00000E+00 volume  9.72458E+05 ppm1      3.226 ppm2      2.571 !2

ASSI {624}   (( resid 60   and name  HB1 ))   (( resid 73   and name  HB1 )) 3.174 1.474 3.674 peak 16283 weight  1.00000E+00 volume  5.05542E+05 ppm1      2.347 ppm2      2.579 !2

ASSI {625}   (  resid 62   and name  HD1#)   (( resid 60   and name  HB2 )) 3.496 1.796 2.836 peak 16297 weight  1.00000E+00 volume  6.87775E+05 ppm1      3.218 ppm2      0.281 !2

ASSI {626}   (  resid 62   and name  HD2#)   (( resid 60   and name  HB2 )) 4.005 2.305 2.745 peak 16299 weight  1.00000E+00 volume  2.30841E+05 ppm1      3.220 ppm2     -0.225 !1

ASSI {627}   (  resid 62   and name  HD2#)   (( resid 60   and name  HB1 )) 3.49 1.79 3.38 peak 19648 weight  1.00000E+00 volume  7.24321E+05 ppm1     -0.240 ppm2      2.347 !3

ASSI {628}   (  resid 62   and name  HD1#)   (( resid 60   and name  HB1 )) 3.46 1.76 3.109 peak 22753 weight  1.00000E+00 volume  7.61211E+05 ppm1      2.343 ppm2      0.283 !2

ASSI {629}   (( resid 62   and name  HB2 ))   (  resid 61   and name  HG2#) 3.692 1.893 1.893 peak 11020 weight  1.00000E+00 volume  4.11281E+05 ppm1      1.350 ppm2      0.682

ASSI {630}   (  resid 61   and name  HG2#)   (( resid 63   and name  HB1 )) 3.456 1.656 1.656 peak 11493 weight  1.00000E+00 volume  7.07480E+05 ppm1      2.452 ppm2      0.685

ASSI {631}   (( resid 61   and name  HG11))   (( resid 61   and name  HB  )) 2.986 1.186 1.186 peak 11750 weight  1.00000E+00 volume  8.26306E+05 ppm1      1.167 ppm2      2.046

ASSI {632}   (  resid 61   and name  HG2#)   (  resid 63   and name  HG# ) 3.275 1.475 1.475 peak 12299 weight  1.00000E+00 volume  1.16221E+06 ppm1      2.001 ppm2      0.689

ASSI {633}   (( resid 61   and name  HB  ))   (  resid 61   and name  HD1#) 3.171 1.371 1.371 peak 14743 weight  1.00000E+00 volume  1.55225E+06 ppm1      0.664 ppm2      2.046

ASSI {634}   (  resid 61   and name  HD1#)   (  resid 8    and name  HD1#) 4.9 3.1 3.1 peak 14744 weight  1.00000E+00 volume  1.27069E+05 ppm1      0.657 ppm2     -0.066

ASSI {635}   (  resid 61   and name  HG2#)   (  resid 85   and name  HB# ) 4.748 2.948 2.948 peak 15977 weight  1.00000E+00 volume  1.83723E+05 ppm1      0.680 ppm2      0.133

ASSI {636}   (  resid 62   and name  HD2#)   (  resid 61   and name  HG2#) 4.681 2.881 2.881 peak 15978 weight  1.00000E+00 volume  2.14944E+05 ppm1      0.678 ppm2     -0.233

ASSI {637}   (  resid 61   and name  HG2#)   (  resid 84   and name  HB# ) 3.473 1.773 4.323 peak 15982 weight  1.00000E+00 volume  7.25952E+05 ppm1      0.681 ppm2      1.694 !3

ASSI {638}   (( resid 61   and name  HB  ))   (  resid 61   and name  HG2#) 2.821 1.021 1.021 peak 15984 weight  1.00000E+00 volume  4.38168E+06 ppm1      0.676 ppm2      2.044

ASSI {639}   (  resid 61   and name  HG2#)   (( resid 63   and name  HD2 )) 3.487 1.687 1.687 peak 15988 weight  1.00000E+00 volume  7.19068E+05 ppm1      0.676 ppm2      4.146

ASSI {640}   (( resid 61   and name  HG12))   (( resid 61   and name  HB  )) 2.843 1.043 1.043 peak 19496 weight  1.00000E+00 volume  1.23125E+06 ppm1      2.055 ppm2      1.509

ASSI {641}   (( resid 62   and name  HB1 ))   (  resid 61   and name  HG2#) 3.563 1.763 1.763 peak 21166 weight  1.00000E+00 volume  5.76991E+05 ppm1      1.403 ppm2      0.681

ASSI {642}   (  resid 62   and name  HD2#)   (  resid 80   and name  HD2#) 4.312 2.512 2.512 peak 10927 weight  1.00000E+00 volume  4.06201E+05 ppm1      0.871 ppm2     -0.229

ASSI {643}   (( resid 62   and name  HB2 ))   (  resid 62   and name  HD1#) 3.599 1.799 1.799 peak 11025 weight  1.00000E+00 volume  5.37161E+05 ppm1      1.352 ppm2      0.286

ASSI {644}   (( resid 62   and name  HB1 ))   (  resid 62   and name  HD2#) 3.51 1.71 1.71 peak 11026 weight  1.00000E+00 volume  6.68922E+05 ppm1      1.404 ppm2     -0.232

ASSI {645}   (( resid 62   and name  HB2 ))   (  resid 62   and name  HD2#) 3.573 1.773 1.773 peak 11027 weight  1.00000E+00 volume  5.76621E+05 ppm1      1.352 ppm2     -0.228

ASSI {646}   (( resid 62   and name  HB1 ))   (( resid 63   and name  HD2 )) 4.035 2.235 2.235 peak 11041 weight  1.00000E+00 volume  8.22079E+04 ppm1      1.401 ppm2      4.155

ASSI {647}   (  resid 62   and name  HD1#)   (( resid 64   and name  HG2 )) 4.202 2.502 5.182 peak 11318 weight  1.00000E+00 volume  1.58989E+05 ppm1      2.474 ppm2      0.274 !2

ASSI {648}   (  resid 62   and name  HD1#)   (( resid 64   and name  HG1 )) 3.888 2.188 6.157 peak 11319 weight  1.00000E+00 volume  2.86535E+05 ppm1      2.316 ppm2      0.271 !2

ASSI {649}   (( resid 62   and name  HG  ))   (( resid 74   and name  HG2 )) 3.182 1.482 4.452 peak 12125 weight  1.00000E+00 volume  4.84559E+05 ppm1      2.600 ppm2      1.099 !3

ASSI {650}   (( resid 62   and name  HG  ))   (  resid 63   and name  HG# ) 3.271 1.571 2.961 peak 12297 weight  1.00000E+00 volume  3.58159E+05 ppm1      2.001 ppm2      1.116 !2

ASSI {651}   (  resid 62   and name  HD1#)   (  resid 63   and name  HG# ) 4.284 2.484 2.484 peak 12300 weight  1.00000E+00 volume  1.26218E+05 ppm1      2.001 ppm2      0.281

ASSI {652}   (  resid 62   and name  HD2#)   (  resid 63   and name  HG# ) 4.135 2.335 2.335 peak 12301 weight  1.00000E+00 volume  1.81718E+05 ppm1      1.994 ppm2     -0.230

ASSI {653}   (( resid 62   and name  HG  ))   (( resid 73   and name  HB1 )) 3.161 1.361 1.361 peak 12347 weight  1.00000E+00 volume  5.36278E+05 ppm1      2.565 ppm2      1.104

ASSI {654}   (  resid 62   and name  HD1#)   (( resid 73   and name  HB1 )) 3.552 1.752 1.752 peak 12351 weight  1.00000E+00 volume  6.10226E+05 ppm1      2.563 ppm2      0.276

ASSI {655}   (  resid 62   and name  HD2#)   (( resid 73   and name  HB1 )) 3.615 1.815 1.815 peak 12354 weight  1.00000E+00 volume  5.26165E+05 ppm1      2.564 ppm2     -0.234

ASSI {656}   (  resid 62   and name  HD2#)   (( resid 67   and name  HB2 )) 4.089 2.289 2.289 peak 16883 weight  1.00000E+00 volume  2.00216E+05 ppm1      3.235 ppm2     -0.242

ASSI {657}   (  resid 62   and name  HD2#)   (( resid 67   and name  HB1 )) 4.114 2.414 3.204 peak 16884 weight  1.00000E+00 volume  1.83025E+05 ppm1      3.815 ppm2     -0.246 !1

ASSI {658}   (( resid 62   and name  HB1 ))   (( resid 62   and name  HG  )) 2.907 1.107 1.107 peak 17762 weight  1.00000E+00 volume  1.06023E+06 ppm1      1.098 ppm2      1.413

ASSI {659}   (( resid 62   and name  HB2 ))   (( resid 62   and name  HG  )) 2.851 1.151 2.12 peak 17763 weight  1.00000E+00 volume  1.25259E+06 ppm1      1.097 ppm2      1.340 !1

ASSI {660}   (( resid 62   and name  HG  ))   (  resid 62   and name  HD1#) 3.035 1.335 1.885 peak 17767 weight  1.00000E+00 volume  2.30791E+06 ppm1      1.102 ppm2      0.275 !1

ASSI {661}   (( resid 62   and name  HG  ))   (  resid 8    and name  HD1#) 3.72 1.92 1.92 peak 17768 weight  1.00000E+00 volume  4.73394E+05 ppm1      1.103 ppm2     -0.056

ASSI {662}   (( resid 62   and name  HG  ))   (  resid 62   and name  HD2#) 3.011 1.212 1.212 peak 17769 weight  1.00000E+00 volume  2.48842E+06 ppm1      1.102 ppm2     -0.235

ASSI {663}   (( resid 62   and name  HG  ))   (( resid 73   and name  HB2 )) 3.079 1.278 1.278 peak 17779 weight  1.00000E+00 volume  6.70972E+05 ppm1      1.100 ppm2      3.455

ASSI {664}   (( resid 62   and name  HG  ))   (( resid 63   and name  HD2 )) 3.256 1.456 1.456 peak 17781 weight  1.00000E+00 volume  4.39540E+05 ppm1      1.107 ppm2      4.140

ASSI {665}   (( resid 62   and name  HB2 ))   (( resid 63   and name  HD2 )) 3.247 1.547 2.216 peak 18227 weight  1.00000E+00 volume  3.98134E+05 ppm1      4.151 ppm2      1.364 !1

ASSI {666}   (  resid 62   and name  HD2#)   (( resid 63   and name  HD1 )) 4.122 2.321 2.321 peak 18241 weight  1.00000E+00 volume  2.07774E+05 ppm1      3.657 ppm2     -0.224

ASSI {667}   (  resid 62   and name  HD2#)   (( resid 65   and name  HA2 )) 4.487 2.687 2.687 peak 19481 weight  1.00000E+00 volume  1.33132E+05 ppm1      3.888 ppm2     -0.235

ASSI {668}   (  resid 62   and name  HD1#)   (  resid 8    and name  HD1#) 3.667 1.867 1.867 peak 19628 weight  1.00000E+00 volume  1.52527E+06 ppm1      0.280 ppm2     -0.055

ASSI {669}   (  resid 62   and name  HD2#)   (( resid 8    and name  HG12)) 3.895 2.195 2.815 peak 19631 weight  1.00000E+00 volume  3.32069E+05 ppm1     -0.239 ppm2     -0.765 !1

ASSI {670}   (  resid 62   and name  HD2#)   (  resid 62   and name  HD1#) 2.976 1.176 1.176 peak 19633 weight  1.00000E+00 volume  8.29561E+06 ppm1     -0.240 ppm2      0.270

ASSI {671}   (  resid 62   and name  HD2#)   (( resid 73   and name  HB2 )) 3.32 1.52 1.52 peak 19658 weight  1.00000E+00 volume  1.10745E+06 ppm1     -0.240 ppm2      3.455

ASSI {672}   (  resid 62   and name  HD1#)   (( resid 73   and name  HB2 )) 3.21 1.41 1.41 peak 19660 weight  1.00000E+00 volume  1.46275E+06 ppm1      0.280 ppm2      3.452

ASSI {673}   (  resid 62   and name  HD2#)   (( resid 63   and name  HD2 )) 3.831 2.031 2.031 peak 19665 weight  1.00000E+00 volume  3.42680E+05 ppm1     -0.239 ppm2      4.160

ASSI {674}   (  resid 62   and name  HD2#)   (( resid 65   and name  HA1 )) 4.659 2.859 2.859 peak 19666 weight  1.00000E+00 volume  6.86471E+04 ppm1     -0.238 ppm2      4.272

ASSI {675}   (  resid 62   and name  HD2#)   (( resid 73   and name  HH2 )) 3.969 2.169 2.169 peak 19681 weight  1.00000E+00 volume  2.43874E+05 ppm1     -0.245 ppm2      6.658
OR {675}   (  resid 62   and name  HD2#)   (( resid 73   and name  HZ3 ))

ASSI {676}   (  resid 62   and name  HD1#)   (( resid 73   and name  HZ2 )) 3.971 2.271 2.761 peak 19684 weight  1.00000E+00 volume  2.49602E+05 ppm1      0.277 ppm2      7.294 !1

ASSI {677}   (  resid 62   and name  HD1#)   (  resid 80   and name  HD2#) 3.888 2.088 2.088 peak 21132 weight  1.00000E+00 volume  8.49607E+05 ppm1      0.871 ppm2      0.287

ASSI {678}   (( resid 62   and name  HB1 ))   (( resid 62   and name  HB2 )) 2.708 0.908 0.908 peak 21168 weight  1.00000E+00 volume  1.83644E+06 ppm1      1.402 ppm2      1.355

ASSI {679}   (  resid 62   and name  HD1#)   (( resid 63   and name  HD2 )) 3.869 2.069 2.069 peak 23397 weight  1.00000E+00 volume  3.26778E+05 ppm1      4.151 ppm2      0.287

ASSI {680}   (  resid 62   and name  HD1#)   (( resid 65   and name  HA2 )) 4.416 2.716 4.876 peak 23800 weight  1.00000E+00 volume  1.20516E+05 ppm1      3.889 ppm2      0.289 !3

ASSI {681}   (  resid 62   and name  HD1#)   (( resid 8    and name  HG12)) 4.168 2.368 2.368 peak 23851 weight  1.00000E+00 volume  1.84624E+05 ppm1      0.285 ppm2     -0.767

ASSI {682}   (( resid 62   and name  HB1 ))   (  resid 62   and name  HD1#) 3.172 1.372 1.372 peak 23854 weight  1.00000E+00 volume  1.56905E+06 ppm1      0.282 ppm2      1.414

ASSI {683}   (( resid 63   and name  HD2 ))   (( resid 63   and name  HB1 )) 2.894 1.094 1.094 peak 11496 weight  1.00000E+00 volume  1.08254E+06 ppm1      2.453 ppm2      4.153

ASSI {684}   (( resid 63   and name  HD2 ))   (( resid 63   and name  HB2 )) 3.135 1.335 1.335 peak 11497 weight  1.00000E+00 volume  5.41720E+05 ppm1      2.119 ppm2      4.152

ASSI {685}   (  resid 8    and name  HD1#)   (  resid 63   and name  HG# ) 4.445 2.745 3.655 peak 12302 weight  1.00000E+00 volume  1.01936E+05 ppm1      2.005 ppm2     -0.050 !1

ASSI {686}   (( resid 63   and name  HD2 ))   (  resid 63   and name  HG# ) 2.583 0.7825 0.7825 peak 12305 weight  1.00000E+00 volume  3.07944E+06 ppm1      1.994 ppm2      4.147

ASSI {687}   (  resid 67   and name  HE# )   (  resid 63   and name  HG# ) 3.597 1.797 1.797 peak 12308 weight  1.00000E+00 volume  3.45012E+05 ppm1      2.000 ppm2      6.845

ASSI {688}   (( resid 73   and name  HB2 ))   (( resid 63   and name  HD2 )) 3.322 1.622 3.912 peak 18215 weight  1.00000E+00 volume  3.44260E+05 ppm1      4.150 ppm2      3.463 !3

ASSI {689}   (( resid 63   and name  HD1 ))   (( resid 74   and name  HG1 )) 2.961 1.261 6.161 peak 18217 weight  1.00000E+00 volume  8.74653E+05 ppm1      3.653 ppm2      2.877 !3

ASSI {690}   (( resid 64   and name  HB1 ))   (( resid 63   and name  HD1 )) 2.518 0.818 5.988 peak 18222 weight  1.00000E+00 volume  3.88481E+06 ppm1      3.664 ppm2      2.015 !2

ASSI {691}   (( resid 63   and name  HD2 ))   (  resid 67   and name  HE# ) 3.75 2.05 2.59 peak 18249 weight  1.00000E+00 volume  2.66754E+05 ppm1      4.150 ppm2      6.838 !1

ASSI {692}   (( resid 64   and name  HG1 ))   (( resid 64   and name  HG2 )) 2.162 0.362 0.362 peak 11312 weight  1.00000E+00 volume  1.78605E+07 ppm1      2.476 ppm2      2.316

ASSI {693}   (( resid 64   and name  HG2 ))   (( resid 65   and name  HA2 )) 3.054 1.354 2.424 peak 11320 weight  1.00000E+00 volume  6.48937E+05 ppm1      2.477 ppm2      3.884 !1

ASSI {694}   (( resid 64   and name  HG1 ))   (( resid 64   and name  HE22)) 2.875 1.075 1.075 peak 11329 weight  1.00000E+00 volume  1.12092E+06 ppm1      2.319 ppm2      6.919

ASSI {695}   (( resid 64   and name  HG1 ))   (( resid 64   and name  HE21)) 2.972 1.172 1.172 peak 11331 weight  1.00000E+00 volume  8.74097E+05 ppm1      2.316 ppm2      7.569

ASSI {696}   (( resid 64   and name  HB1 ))   (( resid 64   and name  HB2 )) 2.247 0.4465 0.4465 peak 13446 weight  1.00000E+00 volume  1.17417E+07 ppm1      2.116 ppm2      2.017

ASSI {697}   (( resid 64   and name  HG1 ))   (( resid 64   and name  HB2 )) 2.521 0.721 0.721 peak 13448 weight  1.00000E+00 volume  3.99862E+06 ppm1      2.115 ppm2      2.300

ASSI {698}   (( resid 64   and name  HG1 ))   (( resid 64   and name  HB1 )) 2.534 0.7345 0.7345 peak 13449 weight  1.00000E+00 volume  3.69299E+06 ppm1      2.018 ppm2      2.300

ASSI {699}   (( resid 64   and name  HB2 ))   (( resid 64   and name  HE22)) 3.666 1.966 2.816 peak 13472 weight  1.00000E+00 volume  1.45969E+05 ppm1      2.119 ppm2      6.920 !1

ASSI {700}   (( resid 64   and name  HG1 ))   (( resid 65   and name  HA2 )) 2.938 1.238 2.758 peak 19472 weight  1.00000E+00 volume  9.17434E+05 ppm1      3.887 ppm2      2.327 !1

ASSI {701}   (( resid 65   and name  HA1 ))   (( resid 64   and name  HE21)) 4.189 2.389 2.389 peak 19488 weight  1.00000E+00 volume  5.90531E+04 ppm1      4.261 ppm2      7.566

ASSI {702}   (  resid 88   and name  HD1#)   (( resid 64   and name  HB1 )) 3.918 2.218 3.599 peak 21844 weight  1.00000E+00 volume  2.67171E+05 ppm1      2.010 ppm2      0.718 !2

ASSI {703}   (( resid 65   and name  HA1 ))   (( resid 65   and name  HA2 )) 2.446 0.746 1.446 peak 19467 weight  1.00000E+00 volume  5.03464E+06 ppm1      4.250 ppm2      3.882 !1

ASSI {704}   (  resid 67   and name  HD# )   (( resid 65   and name  HA2 )) 3.913 2.113 2.113 peak 19487 weight  1.00000E+00 volume  2.71579E+05 ppm1      3.903 ppm2      7.055

ASSI {705}   (( resid 66   and name  HG1 ))   (( resid 66   and name  HG2 )) 2.331 0.531 0.531 peak 22189 weight  1.00000E+00 volume  8.44316E+06 ppm1      1.894 ppm2      2.269

ASSI {706}   (( resid 73   and name  HB2 ))   (  resid 67   and name  HE# ) 3.708 2.008 2.538 peak 12368 weight  1.00000E+00 volume  2.90634E+05 ppm1      3.464 ppm2      6.842 !1

ASSI {707}   (( resid 72   and name  HB1 ))   (( resid 67   and name  HB2 )) 3.325 1.625 2.365 peak 14243 weight  1.00000E+00 volume  3.59949E+05 ppm1      2.568 ppm2      3.218 !1

ASSI {708}   (( resid 72   and name  HB1 ))   (  resid 67   and name  HE# ) 3.433 1.733 2.153 peak 14263 weight  1.00000E+00 volume  5.50144E+05 ppm1      2.567 ppm2      6.848 !1

ASSI {709}   (( resid 72   and name  HB2 ))   (  resid 67   and name  HE# ) 3.495 1.795 2.405 peak 14264 weight  1.00000E+00 volume  4.53179E+05 ppm1      2.443 ppm2      6.849 !1

ASSI {710}   (  resid 67   and name  HD# )   (( resid 72   and name  HB2 )) 3.461 1.661 1.661 peak 14265 weight  1.00000E+00 volume  4.92768E+05 ppm1      2.440 ppm2      7.040

ASSI {711}   (  resid 67   and name  HD# )   (( resid 72   and name  HB1 )) 3.348 1.548 1.548 peak 14266 weight  1.00000E+00 volume  6.61883E+05 ppm1      2.569 ppm2      7.052

ASSI {712}   (  resid 72   and name  HG# )   (  resid 67   and name  HE# ) 3.298 1.598 3.258 peak 16761 weight  1.00000E+00 volume  7.06799E+05 ppm1      1.883 ppm2      6.853 !2

ASSI {713}   (( resid 73   and name  HB2 ))   (( resid 67   and name  HB2 )) 2.977 1.277 4.437 peak 16857 weight  1.00000E+00 volume  8.23225E+05 ppm1      3.225 ppm2      3.447 !4

ASSI {714}   (( resid 67   and name  HB1 ))   (  resid 72   and name  HD# ) 3.522 1.722 1.722 peak 16858 weight  1.00000E+00 volume  2.03864E+05 ppm1      3.808 ppm2      3.433

ASSI {715}   (( resid 68   and name  HB2 ))   (( resid 67   and name  HB2 )) 3.45 1.75 4.401 peak 16866 weight  1.00000E+00 volume  2.45043E+05 ppm1      3.221 ppm2      2.122 !2

ASSI {716}   (( resid 67   and name  HB2 ))   (( resid 68   and name  HD2 )) 3.615 1.815 1.815 peak 16916 weight  1.00000E+00 volume  1.64898E+05 ppm1      3.923 ppm2      3.218

ASSI {717}   (( resid 67   and name  HB2 ))   (( resid 68   and name  HD1 )) 3.437 1.737 2.677 peak 16917 weight  1.00000E+00 volume  2.51912E+05 ppm1      3.825 ppm2      3.227 !1

ASSI {718}   (  resid 67   and name  HD# )   (  resid 72   and name  HD# ) 3.084 1.384 2.044 peak 17036 weight  1.00000E+00 volume  1.26844E+06 ppm1      3.423 ppm2      7.065 !1

ASSI {719}   (( resid 69   and name  HB1 ))   (( resid 68   and name  HB2 )) 2.389 0.689 3.329 peak 11103 weight  1.00000E+00 volume  6.54856E+06 ppm1      1.769 ppm2      2.136 !2

ASSI {720}   (( resid 69   and name  HB1 ))   (( resid 68   and name  HD2 )) 3.547 1.847 3.367 peak 11118 weight  1.00000E+00 volume  1.93832E+05 ppm1      1.769 ppm2      3.926 !2

ASSI {721}   (( resid 69   and name  HB2 ))   (( resid 68   and name  HD2 )) 3.157 1.457 2.217 peak 11119 weight  1.00000E+00 volume  4.87665E+05 ppm1      2.183 ppm2      3.922 !1

ASSI {722}   (( resid 68   and name  HB2 ))   (( resid 68   and name  HG1 )) 2.429 0.6295 0.6295 peak 11872 weight  1.00000E+00 volume  5.29170E+06 ppm1      1.938 ppm2      2.117

ASSI {723}   (  resid 72   and name  HD# )   (( resid 68   and name  HG2 )) 3.508 1.808 2.568 peak 11879 weight  1.00000E+00 volume  2.19486E+05 ppm1      2.181 ppm2      3.431 !1

ASSI {724}   (( resid 68   and name  HG2 ))   (( resid 68   and name  HD2 )) 2.859 1.059 1.059 peak 11883 weight  1.00000E+00 volume  1.23811E+06 ppm1      2.192 ppm2      3.920

ASSI {725}   (( resid 68   and name  HG1 ))   (( resid 68   and name  HD2 )) 2.948 1.248 2.268 peak 11884 weight  1.00000E+00 volume  8.59724E+05 ppm1      1.937 ppm2      3.927 !1

ASSI {726}   (( resid 68   and name  HB1 ))   (( resid 68   and name  HD2 )) 3.019 1.219 1.219 peak 15018 weight  1.00000E+00 volume  7.30480E+05 ppm1      2.103 ppm2      3.923

ASSI {727}   (  resid 72   and name  HG# )   (( resid 68   and name  HD2 )) 2.865 1.066 1.066 peak 16756 weight  1.00000E+00 volume  1.18256E+06 ppm1      1.888 ppm2      3.924

ASSI {728}   (( resid 68   and name  HD1 ))   (( resid 68   and name  HD2 )) 2.739 0.9385 0.9385 peak 16913 weight  1.00000E+00 volume  1.83956E+06 ppm1      3.818 ppm2      3.938

ASSI {729}   (  resid 72   and name  HD# )   (( resid 68   and name  HD1 )) 3.432 1.732 2.262 peak 16918 weight  1.00000E+00 volume  2.53997E+05 ppm1      3.825 ppm2      3.422 !1

ASSI {730}   (  resid 72   and name  HD# )   (( resid 68   and name  HD2 )) 3.382 1.582 1.582 peak 16919 weight  1.00000E+00 volume  2.93820E+05 ppm1      3.925 ppm2      3.419

ASSI {731}   (( resid 68   and name  HB2 ))   (( resid 68   and name  HD2 )) 2.873 1.074 1.074 peak 16925 weight  1.00000E+00 volume  1.20918E+06 ppm1      3.928 ppm2      2.141

ASSI {732}   (( resid 69   and name  HB2 ))   (( resid 69   and name  HG2 )) 2.535 0.735 0.735 peak 11100 weight  1.00000E+00 volume  3.55981E+06 ppm1      2.182 ppm2      1.944

ASSI {733}   (( resid 69   and name  HB1 ))   (( resid 71   and name  HE21)) 3.632 1.932 2.932 peak 11128 weight  1.00000E+00 volume  1.61572E+05 ppm1      1.781 ppm2      7.158 !2

ASSI {734}   (( resid 69   and name  HB1 ))   (( resid 71   and name  HG1 )) 2.495 0.795 1.635 peak 17676 weight  1.00000E+00 volume  4.20742E+06 ppm1      2.443 ppm2      1.781 !1

ASSI {735}   (( resid 69   and name  HG1 ))   (( resid 69   and name  HG2 )) 2.237 0.437 0.437 peak 17965 weight  1.00000E+00 volume  1.34245E+07 ppm1      2.064 ppm2      1.947

ASSI {736}   (( resid 69   and name  HG1 ))   (  resid 70   and name  HD# ) 3.552 1.852 2.392 peak 17990 weight  1.00000E+00 volume  3.67450E+05 ppm1      2.072 ppm2      6.586 !1

ASSI {737}   (( resid 69   and name  HB1 ))   (( resid 71   and name  HG2 )) 2.572 0.872 3.082 peak 23223 weight  1.00000E+00 volume  3.09466E+06 ppm1      2.099 ppm2      1.772 !2

ASSI {738}   (  resid 70   and name  HD# )   (( resid 70   and name  HB1 )) 3.383 1.583 1.583 peak 11791 weight  1.00000E+00 volume  5.88198E+05 ppm1      2.306 ppm2      6.583

ASSI {739}   (  resid 70   and name  HD# )   (( resid 70   and name  HB2 )) 3.373 1.573 1.573 peak 11792 weight  1.00000E+00 volume  5.87383E+05 ppm1      2.200 ppm2      6.577

ASSI {740}   (( resid 75   and name  HA2 ))   (  resid 70   and name  HD# ) 3.65 1.85 1.85 peak 13401 weight  1.00000E+00 volume  3.17350E+05 ppm1      3.676 ppm2      6.578

ASSI {741}   (( resid 72   and name  HB1 ))   (  resid 70   and name  HD# ) 4.287 2.587 4.367 peak 14262 weight  1.00000E+00 volume  1.02902E+05 ppm1      2.564 ppm2      6.576 !2

ASSI {742}   (( resid 71   and name  HG1 ))   (  resid 70   and name  HE# ) 3.426 1.726 2.397 peak 17690 weight  1.00000E+00 volume  5.47433E+05 ppm1      2.441 ppm2      6.517 !1

ASSI {743}   (  resid 70   and name  HD# )   (( resid 71   and name  HG1 )) 3.465 1.664 1.664 peak 17691 weight  1.00000E+00 volume  5.24342E+05 ppm1      2.440 ppm2      6.590

ASSI {744}   (( resid 71   and name  HB2 ))   (  resid 70   and name  HE# ) 3.73 1.93 1.93 peak 19067 weight  1.00000E+00 volume  2.57401E+05 ppm1      1.747 ppm2      6.520

ASSI {745}   (( resid 71   and name  HB1 ))   (  resid 70   and name  HE# ) 3.744 1.944 1.944 peak 19068 weight  1.00000E+00 volume  2.61702E+05 ppm1      1.829 ppm2      6.515

ASSI {746}   (( resid 78   and name  HB1 ))   (  resid 70   and name  HD# ) 3.389 1.59 1.59 peak 20272 weight  1.00000E+00 volume  5.65732E+05 ppm1      2.583 ppm2      6.585

ASSI {747}   (( resid 78   and name  HB2 ))   (  resid 70   and name  HE# ) 3.445 1.745 3.365 peak 20273 weight  1.00000E+00 volume  4.94406E+05 ppm1      3.136 ppm2      6.512 !3

ASSI {748}   (( resid 78   and name  HB2 ))   (  resid 70   and name  HD# ) 3.364 1.664 2.214 peak 20274 weight  1.00000E+00 volume  6.54191E+05 ppm1      3.140 ppm2      6.584 !1

ASSI {749}   (( resid 71   and name  HB2 ))   (  resid 72   and name  HD# ) 2.947 1.247 1.867 peak 17024 weight  1.00000E+00 volume  9.50694E+05 ppm1      3.419 ppm2      1.718 !1

ASSI {750}   (  resid 72   and name  HD# )   (( resid 71   and name  HE22)) 3.706 2.006 4.006 peak 17035 weight  1.00000E+00 volume  1.42867E+05 ppm1      3.429 ppm2      6.193 !3

ASSI {751}   (( resid 71   and name  HG1 ))   (( resid 71   and name  HG2 )) 2.238 0.438 0.438 peak 17673 weight  1.00000E+00 volume  1.20614E+07 ppm1      2.441 ppm2      2.095

ASSI {752}   (  resid 72   and name  HG# )   (( resid 71   and name  HG1 )) 2.614 0.914 5.134 peak 17675 weight  1.00000E+00 volume  2.68098E+06 ppm1      2.441 ppm2      1.870 !3

ASSI {753}   (( resid 71   and name  HG1 ))   (( resid 71   and name  HE22)) 3.0 1.2 1.2 peak 17687 weight  1.00000E+00 volume  8.32732E+05 ppm1      2.441 ppm2      6.212

ASSI {754}   (( resid 71   and name  HG1 ))   (( resid 71   and name  HE21)) 2.863 1.063 1.063 peak 17693 weight  1.00000E+00 volume  1.21981E+06 ppm1      2.447 ppm2      7.175

ASSI {755}   (( resid 71   and name  HB1 ))   (( resid 71   and name  HB2 )) 2.325 0.5245 0.5245 peak 19054 weight  1.00000E+00 volume  7.80224E+06 ppm1      1.827 ppm2      1.733

ASSI {756}   (( resid 71   and name  HB1 ))   (( resid 71   and name  HE22)) 3.949 2.149 2.149 peak 19065 weight  1.00000E+00 volume  8.43348E+04 ppm1      1.827 ppm2      6.212

ASSI {757}   (( resid 71   and name  HB2 ))   (( resid 71   and name  HE22)) 3.894 2.095 2.095 peak 19066 weight  1.00000E+00 volume  9.63969E+04 ppm1      1.741 ppm2      6.201

ASSI {758}   (( resid 71   and name  HB2 ))   (( resid 71   and name  HE21)) 3.381 1.582 1.582 peak 19070 weight  1.00000E+00 volume  2.97970E+05 ppm1      1.748 ppm2      7.165

ASSI {759}   (( resid 71   and name  HB1 ))   (( resid 71   and name  HE21)) 3.322 1.522 1.522 peak 19071 weight  1.00000E+00 volume  3.31922E+05 ppm1      1.829 ppm2      7.165

ASSI {760}   (( resid 73   and name  HB1 ))   (  resid 72   and name  HG# ) 3.28 1.58 3.13 peak 12344 weight  1.00000E+00 volume  3.73543E+05 ppm1      2.564 ppm2      1.896 !2

ASSI {761}   (( resid 72   and name  HB2 ))   (  resid 72   and name  HD# ) 3.099 1.299 1.299 peak 14244 weight  1.00000E+00 volume  6.15116E+05 ppm1      2.443 ppm2      3.418

ASSI {762}   (( resid 72   and name  HB1 ))   (  resid 72   and name  HD# ) 2.971 1.271 2.121 peak 14245 weight  1.00000E+00 volume  9.30431E+05 ppm1      2.573 ppm2      3.413 !1

ASSI {763}   (( resid 72   and name  HB1 ))   (( resid 72   and name  HE  )) 3.726 1.926 1.926 peak 14270 weight  1.00000E+00 volume  1.46294E+05 ppm1      2.574 ppm2      7.727

ASSI {764}   (  resid 72   and name  HD# )   (  resid 72   and name  HG# ) 2.542 0.7415 0.7415 peak 16753 weight  1.00000E+00 volume  3.60218E+06 ppm1      1.881 ppm2      3.405

ASSI {765}   (  resid 72   and name  HG# )   (( resid 72   and name  HE  )) 3.572 1.772 1.772 peak 16764 weight  1.00000E+00 volume  1.80619E+05 ppm1      1.886 ppm2      7.706

ASSI {766}   (  resid 72   and name  HD# )   (  resid 74   and name  HE# ) 3.078 1.378 3.988 peak 17018 weight  1.00000E+00 volume  2.00031E+06 ppm1      3.419 ppm2      2.422 !4

ASSI {767}   (  resid 72   and name  HD# )   (( resid 72   and name  HE  )) 2.762 0.962 0.962 peak 17038 weight  1.00000E+00 volume  1.68265E+06 ppm1      3.424 ppm2      7.714

ASSI {768}   (  resid 80   and name  HD2#)   (( resid 73   and name  HE1 )) 4.153 2.353 2.353 peak 10983 weight  1.00000E+00 volume  1.75762E+05 ppm1      0.863 ppm2      9.981

ASSI {769}   (( resid 75   and name  HA1 ))   (( resid 73   and name  HB2 )) 3.899 2.199 3.529 peak 13385 weight  1.00000E+00 volume  9.90786E+04 ppm1      2.862 ppm2      3.461 !1

ASSI {770}   (( resid 75   and name  HA1 ))   (( resid 73   and name  HE1 )) 3.652 1.952 3.492 peak 13406 weight  1.00000E+00 volume  1.49934E+05 ppm1      2.858 ppm2      9.972 !1

ASSI {771}   (( resid 73   and name  HH2 ))   (( resid 80   and name  HG  )) 3.327 1.526 1.526 peak 19342 weight  1.00000E+00 volume  3.43809E+05 ppm1      1.795 ppm2      6.666
OR {771}   (( resid 73   and name  HZ3 ))   (( resid 80   and name  HG  ))

ASSI {772}   (( resid 78   and name  HB1 ))   (( resid 73   and name  HB2 )) 3.888 2.188 6.618 peak 20262 weight  1.00000E+00 volume  9.79984E+04 ppm1      2.581 ppm2      3.465 !2

ASSI {773}   (( resid 74   and name  HG1 ))   (( resid 74   and name  HG2 )) 2.362 0.562 0.562 peak 14843 weight  1.00000E+00 volume  7.56591E+06 ppm1      2.870 ppm2      2.612

ASSI {774}   (( resid 74   and name  HB1 ))   (( resid 74   and name  HG2 )) 2.902 1.102 1.102 peak 17504 weight  1.00000E+00 volume  1.10674E+06 ppm1      2.376 ppm2      2.610

ASSI {775}   (( resid 74   and name  HB1 ))   (( resid 74   and name  HB2 )) 2.619 0.819 0.819 peak 17509 weight  1.00000E+00 volume  2.77374E+06 ppm1      2.372 ppm2      2.815

ASSI {776}   (( resid 74   and name  HB1 ))   (( resid 76   and name  HB1 )) 3.673 1.973 3.583 peak 20168 weight  1.00000E+00 volume  1.51708E+05 ppm1      1.288 ppm2      2.370 !1

ASSI {777}   (( resid 74   and name  HG1 ))   (( resid 76   and name  HB1 )) 3.623 1.923 4.753 peak 24034 weight  1.00000E+00 volume  1.95799E+05 ppm1      1.292 ppm2      2.889 !1

ASSI {778}   (( resid 75   and name  HA1 ))   (( resid 75   and name  HA2 )) 2.928 1.128 1.128 peak 13384 weight  1.00000E+00 volume  9.84689E+05 ppm1      2.863 ppm2      3.678

ASSI {779}   (( resid 75   and name  HA1 ))   (( resid 76   and name  HG  )) 3.737 1.937 1.937 peak 13391 weight  1.00000E+00 volume  1.27280E+05 ppm1      2.861 ppm2      1.624

ASSI {780}   (( resid 79   and name  HB1 ))   (( resid 76   and name  HB2 )) 2.712 1.012 3.962 peak 12894 weight  1.00000E+00 volume  1.91451E+06 ppm1      1.809 ppm2      1.458 !4

ASSI {781}   (( resid 79   and name  HB2 ))   (( resid 76   and name  HB2 )) 3.024 1.324 4.484 peak 12895 weight  1.00000E+00 volume  7.08248E+05 ppm1      1.904 ppm2      1.456 !3

ASSI {782}   (( resid 76   and name  HG  ))   (( resid 76   and name  HB2 )) 2.664 0.8645 0.8645 peak 13638 weight  1.00000E+00 volume  2.17264E+06 ppm1      1.644 ppm2      1.460

ASSI {783}   (( resid 76   and name  HG  ))   (( resid 76   and name  HB1 )) 2.824 1.023 1.023 peak 13639 weight  1.00000E+00 volume  1.32594E+06 ppm1      1.645 ppm2      1.294

ASSI {784}   (( resid 76   and name  HG  ))   (  resid 76   and name  HD2#) 3.037 1.236 1.236 peak 13640 weight  1.00000E+00 volume  2.20945E+06 ppm1      1.642 ppm2      0.597

ASSI {785}   (( resid 76   and name  HG  ))   (  resid 76   and name  HD1#) 2.979 1.179 1.179 peak 13641 weight  1.00000E+00 volume  2.50985E+06 ppm1      1.648 ppm2      0.750

ASSI {786}   (  resid 76   and name  HD2#)   (( resid 76   and name  HB1 )) 2.962 1.162 1.162 peak 14924 weight  1.00000E+00 volume  2.85922E+06 ppm1      0.599 ppm2      1.280

ASSI {787}   (  resid 76   and name  HD2#)   (( resid 76   and name  HB2 )) 2.944 1.144 1.144 peak 14925 weight  1.00000E+00 volume  2.99484E+06 ppm1      0.600 ppm2      1.464

ASSI {788}   (  resid 76   and name  HD1#)   (( resid 76   and name  HB1 )) 2.775 0.9745 0.9745 peak 14929 weight  1.00000E+00 volume  5.34234E+06 ppm1      0.727 ppm2      1.297

ASSI {789}   (( resid 77   and name  HB1 ))   (( resid 76   and name  HB1 )) 3.874 2.074 2.074 peak 15318 weight  1.00000E+00 volume  1.02119E+05 ppm1      3.280 ppm2      1.289

ASSI {790}   (( resid 77   and name  HB2 ))   (( resid 76   and name  HB1 )) 3.994 2.294 3.193 peak 15319 weight  1.00000E+00 volume  8.07353E+04 ppm1      2.862 ppm2      1.275 !1

ASSI {791}   (( resid 77   and name  HB2 ))   (  resid 76   and name  HD1#) 4.568 2.768 2.768 peak 15320 weight  1.00000E+00 volume  8.27881E+04 ppm1      2.864 ppm2      0.728

ASSI {792}   (( resid 76   and name  HB1 ))   (( resid 76   and name  HB2 )) 2.458 0.658 0.658 peak 20158 weight  1.00000E+00 volume  4.96177E+06 ppm1      1.456 ppm2      1.296

ASSI {793}   (  resid 76   and name  HD1#)   (( resid 76   and name  HB2 )) 3.314 1.514 1.514 peak 20162 weight  1.00000E+00 volume  1.06338E+06 ppm1      1.454 ppm2      0.750

ASSI {794}   (( resid 77   and name  HB1 ))   (( resid 79   and name  HB1 )) 2.939 1.239 2.559 peak 12907 weight  1.00000E+00 volume  9.06416E+05 ppm1      1.813 ppm2      3.289 !1

ASSI {795}   (( resid 77   and name  HB1 ))   (( resid 77   and name  HB2 )) 2.748 0.9485 0.9485 peak 15321 weight  1.00000E+00 volume  1.74688E+06 ppm1      2.865 ppm2      3.267

ASSI {796}   (( resid 78   and name  HB2 ))   (( resid 77   and name  HD22)) 3.568 1.868 3.628 peak 20275 weight  1.00000E+00 volume  1.72087E+05 ppm1      3.137 ppm2      7.220 !3

ASSI {797}   (( resid 78   and name  HB1 ))   (( resid 77   and name  HD22)) 4.038 2.338 3.358 peak 20276 weight  1.00000E+00 volume  6.30723E+04 ppm1      2.584 ppm2      7.219 !2

ASSI {798}   (( resid 78   and name  HB1 ))   (( resid 77   and name  HB1 )) 3.497 1.797 3.597 peak 24077 weight  1.00000E+00 volume  2.17620E+05 ppm1      2.579 ppm2      3.295 !2

ASSI {799}   (( resid 80   and name  HB1 ))   (( resid 78   and name  HB1 )) 3.619 1.919 5.209 peak 20259 weight  1.00000E+00 volume  1.57317E+05 ppm1      2.583 ppm2      1.577 !2

ASSI {800}   (  resid 79   and name  HG# )   (( resid 79   and name  HB2 )) 2.535 0.735 0.735 peak 12892 weight  1.00000E+00 volume  3.53712E+06 ppm1      1.902 ppm2      1.621

ASSI {801}   (  resid 79   and name  HG# )   (( resid 79   and name  HB1 )) 2.421 0.6215 0.6215 peak 12893 weight  1.00000E+00 volume  5.62116E+06 ppm1      1.819 ppm2      1.624

ASSI {802}   (( resid 79   and name  HD2 ))   (( resid 79   and name  HB1 )) 2.788 1.088 1.708 peak 12905 weight  1.00000E+00 volume  1.53545E+06 ppm1      1.814 ppm2      3.177 !1

ASSI {803}   (( resid 79   and name  HD2 ))   (( resid 79   and name  HB2 )) 3.015 1.215 1.215 peak 12906 weight  1.00000E+00 volume  7.56964E+05 ppm1      1.905 ppm2      3.187

ASSI {804}   (( resid 79   and name  HD2 ))   (  resid 79   and name  HG# ) 2.283 0.483 0.483 peak 15235 weight  1.00000E+00 volume  1.02766E+07 ppm1      1.612 ppm2      3.176

ASSI {805}   (  resid 79   and name  HG# )   (( resid 81   and name  HB1 )) 3.159 1.459 2.018 peak 19148 weight  1.00000E+00 volume  5.30967E+05 ppm1      3.319 ppm2      1.622 !1

ASSI {806}   (  resid 79   and name  HG# )   (( resid 81   and name  HB2 )) 3.373 1.673 2.553 peak 19149 weight  1.00000E+00 volume  2.60854E+05 ppm1      2.981 ppm2      1.619 !1

ASSI {807}   (( resid 80   and name  HB1 ))   (( resid 83   and name  HB1 )) 3.984 2.284 3.453 peak 10779 weight  1.00000E+00 volume  8.60400E+04 ppm1      3.605 ppm2      1.556 !2

ASSI {808}   (( resid 80   and name  HB1 ))   (( resid 80   and name  HB2 )) 2.885 1.085 1.085 peak 12689 weight  1.00000E+00 volume  1.14847E+06 ppm1      1.564 ppm2      1.340

ASSI {809}   (( resid 83   and name  HB1 ))   (( resid 83   and name  HB2 )) 2.939 1.139 1.139 peak 10769 weight  1.00000E+00 volume  9.66635E+05 ppm1      3.723 ppm2      3.620

ASSI {810}   (  resid 84   and name  HB# )   (  resid 84   and name  HD# ) 2.899 1.099 1.099 peak 11858 weight  1.00000E+00 volume  1.04941E+06 ppm1      1.693 ppm2      2.380

ASSI {811}   (  resid 84   and name  HB# )   (  resid 84   and name  HG# ) 2.814 1.114 1.934 peak 11862 weight  1.00000E+00 volume  1.35310E+06 ppm1      1.695 ppm2      1.327 !1

ASSI {812}   (  resid 84   and name  HB# )   (  resid 85   and name  HB# ) 4.426 2.626 2.626 peak 11863 weight  1.00000E+00 volume  1.05365E+05 ppm1      1.691 ppm2      0.146

ASSI {813}   (  resid 84   and name  HG# )   (( resid 84   and name  HE  )) 3.127 1.327 1.327 peak 12855 weight  1.00000E+00 volume  5.51352E+05 ppm1      1.330 ppm2      6.579

ASSI {814}   (  resid 84   and name  HG# )   (  resid 85   and name  HB# ) 4.284 2.484 2.484 peak 21661 weight  1.00000E+00 volume  1.40131E+05 ppm1      1.326 ppm2      0.139

ASSI {815}   (( resid 86   and name  HB  ))   (  resid 85   and name  HB# ) 3.907 2.107 2.107 peak 18392 weight  1.00000E+00 volume  2.86651E+05 ppm1      1.555 ppm2      0.147

ASSI {816}   (  resid 86   and name  HG2#)   (  resid 85   and name  HB# ) 3.918 2.118 2.118 peak 19776 weight  1.00000E+00 volume  8.66855E+05 ppm1      0.633 ppm2      0.154

ASSI {817}   (( resid 88   and name  HB2 ))   (  resid 87   and name  HB# ) 3.752 1.952 1.952 peak 10663 weight  1.00000E+00 volume  1.32736E+05 ppm1      1.465 ppm2      3.067

ASSI {818}   (( resid 88   and name  HB1 ))   (  resid 87   and name  HB# ) 3.684 1.984 2.885 peak 10664 weight  1.00000E+00 volume  1.86981E+05 ppm1      1.602 ppm2      3.071 !1

ASSI {819}   (( resid 89   and name  HD1 ))   (  resid 87   and name  HB# ) 3.349 1.649 3.229 peak 19866 weight  1.00000E+00 volume  3.13835E+05 ppm1      3.614 ppm2      3.090 !2

ASSI {820}   (( resid 89   and name  HD2 ))   (  resid 87   and name  HB# ) 3.326 1.626 3.136 peak 19867 weight  1.00000E+00 volume  3.29206E+05 ppm1      3.681 ppm2      3.090 !1

ASSI {821}   (  resid 88   and name  HD2#)   (  resid 87   and name  HB# ) 4.611 2.811 2.811 peak 20526 weight  1.00000E+00 volume  8.62152E+04 ppm1      0.795 ppm2      3.090

ASSI {822}   (( resid 88   and name  HB1 ))   (( resid 88   and name  HB2 )) 2.466 0.6665 0.6665 peak 10646 weight  1.00000E+00 volume  4.72265E+06 ppm1      1.601 ppm2      1.465

ASSI {823}   (( resid 88   and name  HB2 ))   (( resid 94   and name  HB2 )) 3.343 1.643 6.582 peak 10662 weight  1.00000E+00 volume  1.96814E+05 ppm1      1.469 ppm2      2.734 !2

ASSI {824}   (( resid 88   and name  HB1 ))   (( resid 89   and name  HD1 )) 3.062 1.263 1.263 peak 10668 weight  1.00000E+00 volume  6.73173E+05 ppm1      1.605 ppm2      3.609

ASSI {825}   (( resid 88   and name  HB2 ))   (( resid 89   and name  HD1 )) 2.968 1.268 1.838 peak 10669 weight  1.00000E+00 volume  8.68491E+05 ppm1      1.468 ppm2      3.606 !1

ASSI {826}   (( resid 89   and name  HB1 ))   (( resid 89   and name  HB2 )) 2.247 0.447 0.447 peak 13048 weight  1.00000E+00 volume  1.18976E+07 ppm1      2.007 ppm2      2.256

ASSI {827}   (( resid 89   and name  HD1 ))   (( resid 89   and name  HB2 )) 2.847 1.047 1.047 peak 14901 weight  1.00000E+00 volume  1.32204E+06 ppm1      2.270 ppm2      3.614

ASSI {828}   (( resid 89   and name  HD1 ))   (( resid 89   and name  HB1 )) 2.875 1.075 1.075 peak 14902 weight  1.00000E+00 volume  1.21330E+06 ppm1      2.015 ppm2      3.612

ASSI {829}   (( resid 89   and name  HD2 ))   (( resid 89   and name  HB1 )) 2.853 1.053 1.053 peak 14903 weight  1.00000E+00 volume  1.28368E+06 ppm1      2.011 ppm2      3.680

ASSI {830}   (( resid 89   and name  HD2 ))   (( resid 89   and name  HB2 )) 2.845 1.145 1.465 peak 14904 weight  1.00000E+00 volume  1.30848E+06 ppm1      2.268 ppm2      3.676 !1

ASSI {831}   (  resid 90   and name  HB# )   (( resid 89   and name  HB1 )) 3.108 1.408 2.808 peak 20242 weight  1.00000E+00 volume  5.89381E+05 ppm1      3.880 ppm2      2.006 !2

ASSI {832}   (( resid 94   and name  HB1 ))   (( resid 89   and name  HB2 )) 3.062 1.362 4.093 peak 22289 weight  1.00000E+00 volume  6.67947E+05 ppm1      2.271 ppm2      2.779 !3

ASSI {833}   (( resid 89   and name  HG2 ))   (( resid 94   and name  HB1 )) 3.314 1.614 3.354 peak 23021 weight  1.00000E+00 volume  3.40375E+05 ppm1      1.817 ppm2      2.777 !2

ASSI {834}   (( resid 92   and name  HA1 ))   (( resid 91   and name  HA2 )) 2.369 0.669 3.189 peak 16032 weight  1.00000E+00 volume  6.75517E+06 ppm1      3.884 ppm2      4.162 !2

ASSI {835}   (( resid 91   and name  HA2 ))   (( resid 93   and name  HG2 )) 3.427 1.727 4.307 peak 17284 weight  1.00000E+00 volume  2.56349E+05 ppm1      2.234 ppm2      4.139 !2

ASSI {836}   (( resid 91   and name  HA1 ))   (( resid 91   and name  HA2 )) 2.239 0.4385 0.4385 peak 19943 weight  1.00000E+00 volume  1.24211E+07 ppm1      3.887 ppm2      4.149

ASSI {837}   (( resid 92   and name  HA2 ))   (( resid 93   and name  HB1 )) 3.079 1.379 2.279 peak 12663 weight  1.00000E+00 volume  6.08689E+05 ppm1      1.967 ppm2      3.944 !1

ASSI {838}   (( resid 92   and name  HA1 ))   (( resid 92   and name  HA2 )) 2.228 0.4285 0.4285 peak 16021 weight  1.00000E+00 volume  1.19434E+07 ppm1      3.878 ppm2      3.944

ASSI {839}   (( resid 92   and name  HA2 ))   (( resid 93   and name  HG2 )) 3.352 1.652 2.162 peak 16024 weight  1.00000E+00 volume  3.04959E+05 ppm1      3.945 ppm2      2.259 !1

ASSI {840}   (( resid 92   and name  HA1 ))   (( resid 93   and name  HG2 )) 3.271 1.571 2.31 peak 16025 weight  1.00000E+00 volume  3.80109E+05 ppm1      3.879 ppm2      2.251 !1

ASSI {841}   (( resid 92   and name  HA1 ))   (( resid 93   and name  HB1 )) 3.444 1.744 3.744 peak 16027 weight  1.00000E+00 volume  2.46514E+05 ppm1      3.881 ppm2      1.955 !2

ASSI {842}   (( resid 92   and name  HA2 ))   (( resid 93   and name  HB2 )) 3.409 1.709 3.269 peak 16028 weight  1.00000E+00 volume  2.69273E+05 ppm1      3.941 ppm2      1.779 !2

ASSI {843}   (( resid 92   and name  HA1 ))   (( resid 93   and name  HB2 )) 3.468 1.768 3.288 peak 16029 weight  1.00000E+00 volume  2.30932E+05 ppm1      3.888 ppm2      1.778 !2

ASSI {844}   (( resid 95   and name  HB1 ))   (( resid 93   and name  HB1 )) 2.845 1.145 4.805 peak 12655 weight  1.00000E+00 volume  1.19474E+06 ppm1      1.957 ppm2      1.569 !2

ASSI {845}   (( resid 93   and name  HB1 ))   (( resid 93   and name  HB2 )) 2.323 0.523 0.523 peak 12657 weight  1.00000E+00 volume  7.86379E+06 ppm1      1.962 ppm2      1.794

ASSI {846}   (( resid 93   and name  HG1 ))   (( resid 93   and name  HB1 )) 2.521 0.721 0.721 peak 12661 weight  1.00000E+00 volume  3.81899E+06 ppm1      1.963 ppm2      2.275

ASSI {847}   (( resid 93   and name  HG1 ))   (( resid 93   and name  HG2 )) 1.934 0.234 0.954 peak 17277 weight  1.00000E+00 volume  6.06486E+07 ppm1      2.285 ppm2      2.237 !1

ASSI {848}   (( resid 93   and name  HG2 ))   (( resid 93   and name  HB1 )) 2.437 0.6365 0.6365 peak 17280 weight  1.00000E+00 volume  5.44088E+06 ppm1      2.238 ppm2      1.971

ASSI {849}   (( resid 93   and name  HG1 ))   (( resid 93   and name  HB2 )) 2.397 0.597 0.597 peak 17281 weight  1.00000E+00 volume  6.28401E+06 ppm1      2.283 ppm2      1.776

ASSI {850}   (( resid 93   and name  HG2 ))   (( resid 93   and name  HB2 )) 2.511 0.7115 0.7115 peak 17282 weight  1.00000E+00 volume  4.17157E+06 ppm1      2.238 ppm2      1.772

ASSI {851}   (( resid 95   and name  HB1 ))   (( resid 93   and name  HG2 )) 2.941 1.241 3.061 peak 17283 weight  1.00000E+00 volume  9.14688E+05 ppm1      2.229 ppm2      1.555 !1

ASSI {852}   (  resid 94   and name  HD# )   (( resid 93   and name  HG1 )) 3.671 1.971 3.322 peak 17293 weight  1.00000E+00 volume  3.02845E+05 ppm1      2.288 ppm2      6.645 !2

ASSI {853}   (  resid 94   and name  HE# )   (( resid 94   and name  HB1 )) 3.552 1.752 1.752 peak 17644 weight  1.00000E+00 volume  3.87012E+05 ppm1      2.766 ppm2      6.843

ASSI {854}   (( resid 94   and name  HB2 ))   (  resid 96   and name  HG2#) 3.91 2.21 3.07 peak 18111 weight  1.00000E+00 volume  2.84669E+05 ppm1     -0.443 ppm2      2.728 !1

ASSI {855}   (( resid 94   and name  HB2 ))   (  resid 95   and name  HG# ) 3.312 1.612 4.432 peak 22722 weight  1.00000E+00 volume  3.38153E+05 ppm1      1.267 ppm2      2.736 !2

ASSI {856}   (( resid 95   and name  HD2 ))   (( resid 96   and name  HG12)) 2.555 0.855 3.536 peak 12527 weight  1.00000E+00 volume  3.38461E+06 ppm1      1.526 ppm2      0.895 !3

ASSI {857}   (( resid 95   and name  HB2 ))   (  resid 95   and name  HG# ) 2.819 1.019 1.019 peak 15336 weight  1.00000E+00 volume  1.36695E+06 ppm1      2.074 ppm2      1.267

ASSI {858}   (( resid 95   and name  HB1 ))   (  resid 95   and name  HG# ) 2.803 1.003 1.003 peak 15337 weight  1.00000E+00 volume  1.42585E+06 ppm1      1.555 ppm2      1.262

ASSI {859}   (  resid 95   and name  HG# )   (( resid 97   and name  HG1 )) 3.395 1.595 1.595 peak 16005 weight  1.00000E+00 volume  2.68266E+05 ppm1      2.198 ppm2      1.273

ASSI {860}   (  resid 95   and name  HG# )   (( resid 97   and name  HG2 )) 3.39 1.69 2.8 peak 16006 weight  1.00000E+00 volume  2.66470E+05 ppm1      2.160 ppm2      1.271 !1

ASSI {861}   (  resid 96   and name  HG2#)   (  resid 95   and name  HG# ) 4.441 2.64 2.64 peak 16183 weight  1.00000E+00 volume  9.64634E+04 ppm1      1.269 ppm2     -0.445

ASSI {862}   (  resid 95   and name  HG# )   (( resid 97   and name  HE22)) 3.822 2.122 3.652 peak 16194 weight  1.00000E+00 volume  1.12802E+05 ppm1      1.269 ppm2      6.406 !2

ASSI {863}   (( resid 95   and name  HD2 ))   (( resid 95   and name  HE1 )) 2.554 0.754 0.754 peak 17060 weight  1.00000E+00 volume  3.49794E+06 ppm1      2.757 ppm2      1.522

ASSI {864}   (( resid 95   and name  HE1 ))   (  resid 95   and name  HG# ) 2.752 0.952 0.952 peak 17061 weight  1.00000E+00 volume  1.72682E+06 ppm1      2.754 ppm2      1.259

ASSI {865}   (( resid 96   and name  HG12))   (( resid 96   and name  HB  )) 3.067 1.367 2.237 peak 11270 weight  1.00000E+00 volume  6.36814E+05 ppm1      0.897 ppm2      0.066 !1

ASSI {866}   (( resid 96   and name  HG12))   (  resid 96   and name  HG2#) 3.735 2.035 2.965 peak 11274 weight  1.00000E+00 volume  3.90356E+05 ppm1      0.899 ppm2     -0.432 !1

ASSI {867}   (( resid 96   and name  HG11))   (  resid 96   and name  HG2#) 3.68 1.88 1.88 peak 11275 weight  1.00000E+00 volume  4.51384E+05 ppm1      0.154 ppm2     -0.435

ASSI {868}   (( resid 96   and name  HG12))   (  resid 98   and name  HG2#) 4.029 2.229 2.229 peak 11281 weight  1.00000E+00 volume  2.18830E+05 ppm1      0.895 ppm2      0.396

ASSI {869}   (( resid 96   and name  HG11))   (( resid 96   and name  HG12)) 2.962 1.162 1.162 peak 11283 weight  1.00000E+00 volume  9.24358E+05 ppm1      0.149 ppm2      0.896

ASSI {870}   (  resid 98   and name  HD1#)   (  resid 96   and name  HG2#) 4.415 2.615 2.615 peak 17963 weight  1.00000E+00 volume  3.45030E+05 ppm1      0.297 ppm2     -0.432

ASSI {871}   (  resid 96   and name  HD1#)   (  resid 96   and name  HG2#) 3.118 1.318 1.318 peak 18096 weight  1.00000E+00 volume  5.47064E+06 ppm1     -0.443 ppm2     -0.573

ASSI {872}   (  resid 96   and name  HG2#)   (( resid 96   and name  HB  )) 2.989 1.188 1.188 peak 18100 weight  1.00000E+00 volume  2.63832E+06 ppm1     -0.443 ppm2      0.059

ASSI {873}   (  resid 98   and name  HG2#)   (  resid 96   and name  HG2#) 3.66 1.86 1.86 peak 20370 weight  1.00000E+00 volume  1.47716E+06 ppm1      0.416 ppm2     -0.431

ASSI {874}   (( resid 98   and name  HG11))   (( resid 97   and name  HB1 )) 2.877 1.177 2.407 peak 12722 weight  1.00000E+00 volume  1.08369E+06 ppm1      1.506 ppm2      0.722 !1

ASSI {875}   (( resid 97   and name  HB1 ))   (( resid 97   and name  HG2 )) 2.952 1.152 1.152 peak 15248 weight  1.00000E+00 volume  8.85404E+05 ppm1      1.486 ppm2      2.152

ASSI {876}   (( resid 97   and name  HE21))   (( resid 97   and name  HG1 )) 3.237 1.437 1.437 peak 16018 weight  1.00000E+00 volume  3.88299E+05 ppm1      2.195 ppm2      7.898

ASSI {877}   (( resid 97   and name  HE21))   (( resid 97   and name  HG2 )) 3.258 1.458 1.458 peak 16019 weight  1.00000E+00 volume  3.80460E+05 ppm1      2.157 ppm2      7.900

ASSI {878}   (( resid 98   and name  HG11))   (  resid 98   and name  HD1#) 3.04 1.24 1.24 peak 17932 weight  1.00000E+00 volume  2.22190E+06 ppm1      0.291 ppm2      0.724

ASSI {879}   (( resid 98   and name  HG12))   (  resid 98   and name  HD1#) 2.989 1.189 1.189 peak 17936 weight  1.00000E+00 volume  2.64214E+06 ppm1      0.296 ppm2      1.369

ASSI {880}   (( resid 98   and name  HG12))   (  resid 98   and name  HG2#) 3.159 1.359 1.359 peak 20373 weight  1.00000E+00 volume  1.65797E+06 ppm1      0.412 ppm2      1.364

ASSI {881}   (  resid 98   and name  HG2#)   (  resid 99   and name  HB# ) 4.248 2.448 2.448 peak 20382 weight  1.00000E+00 volume  1.62915E+05 ppm1      0.409 ppm2      3.383

ASSI {882}   (( resid 98   and name  HG12))   (( resid 98   and name  HB  )) 2.751 0.951 0.951 peak 20976 weight  1.00000E+00 volume  1.61489E+06 ppm1      1.694 ppm2      1.359

ASSI {883}   (  resid 98   and name  HG2#)   (( resid 98   and name  HB  )) 3.064 1.264 1.264 peak 20980 weight  1.00000E+00 volume  2.03569E+06 ppm1      1.691 ppm2      0.391

ASSI {884}   (( resid 106  and name  HA1 ))   (( resid 100  and name  HG1 )) 3.253 1.553 2.113 peak 11054 weight  1.00000E+00 volume  3.84816E+05 ppm1      3.852 ppm2      2.688 !1

ASSI {885}   (  resid 124  and name  HE# )   (( resid 100  and name  HB1 )) 2.878 1.078 1.078 peak 11701 weight  1.00000E+00 volume  3.97082E+06 ppm1      2.026 ppm2      2.305

ASSI {886}   (  resid 124  and name  HE# )   (( resid 100  and name  HG1 )) 3.048 1.248 1.248 peak 11704 weight  1.00000E+00 volume  2.31572E+06 ppm1      2.022 ppm2      2.696

ASSI {887}   (( resid 105  and name  HB1 ))   (( resid 100  and name  HB1 )) 3.413 1.713 3.114 peak 13084 weight  1.00000E+00 volume  2.64250E+05 ppm1      3.780 ppm2      2.311 !2

ASSI {888}   (( resid 105  and name  HB2 ))   (( resid 100  and name  HB1 )) 3.259 1.559 3.709 peak 13085 weight  1.00000E+00 volume  4.06052E+05 ppm1      3.749 ppm2      2.310 !2

ASSI {889}   (( resid 101  and name  HG1 ))   (( resid 100  and name  HG2 )) 2.978 1.178 1.178 peak 14687 weight  1.00000E+00 volume  8.48181E+05 ppm1      2.351 ppm2      1.182

ASSI {890}   (( resid 106  and name  HA2 ))   (( resid 100  and name  HG2 )) 3.314 1.614 2.294 peak 14691 weight  1.00000E+00 volume  3.44848E+05 ppm1      2.340 ppm2      4.103 !1

ASSI {891}   (( resid 100  and name  HG1 ))   (( resid 107  and name  HB1 )) 3.396 1.596 1.596 peak 16170 weight  1.00000E+00 volume  2.92905E+05 ppm1      1.858 ppm2      2.696

ASSI {892}   (( resid 100  and name  HG1 ))   (( resid 101  and name  HB1 )) 3.481 1.781 3.491 peak 17102 weight  1.00000E+00 volume  2.30699E+05 ppm1      1.795 ppm2      2.713 !2

ASSI {893}   (( resid 100  and name  HB1 ))   (( resid 100  and name  HB2 )) 2.337 0.5365 0.5365 peak 17220 weight  1.00000E+00 volume  7.34750E+06 ppm1      2.462 ppm2      2.319

ASSI {894}   (  resid 124  and name  HE# )   (( resid 100  and name  HB2 )) 2.826 1.026 1.026 peak 17222 weight  1.00000E+00 volume  3.69025E+06 ppm1      2.456 ppm2      2.040

ASSI {895}   (( resid 107  and name  HG2 ))   (( resid 100  and name  HB2 )) 2.828 1.028 1.028 peak 17226 weight  1.00000E+00 volume  1.24999E+06 ppm1      2.459 ppm2      1.870
OR {895}   (( resid 107  and name  HB1 ))   (( resid 100  and name  HB2 ))

ASSI {896}   (( resid 101  and name  HG1 ))   (( resid 100  and name  HB1 )) 3.07 1.27 1.27 peak 17229 weight  1.00000E+00 volume  6.25012E+05 ppm1      2.309 ppm2      1.174

ASSI {897}   (( resid 100  and name  HB2 ))   (  resid 99   and name  HB# ) 4.346 2.646 3.186 peak 17231 weight  1.00000E+00 volume  2.92683E+04 ppm1      2.454 ppm2      3.391 !1

ASSI {898}   (( resid 106  and name  HA2 ))   (( resid 100  and name  HB1 )) 3.018 1.217 1.217 peak 17237 weight  1.00000E+00 volume  7.35105E+05 ppm1      2.309 ppm2      4.108

ASSI {899}   (  resid 109  and name  HD# )   (( resid 100  and name  HB2 )) 3.699 1.898 1.898 peak 17246 weight  1.00000E+00 volume  2.69756E+05 ppm1      2.447 ppm2      6.985

ASSI {900}   (( resid 100  and name  HG2 ))   (( resid 101  and name  HD1 )) 2.906 1.206 2.736 peak 17859 weight  1.00000E+00 volume  1.01562E+06 ppm1      2.338 ppm2      1.638 !2

ASSI {901}   (( resid 100  and name  HG1 ))   (( resid 101  and name  HD2 )) 3.022 1.322 3.942 peak 18948 weight  1.00000E+00 volume  7.14401E+05 ppm1      2.693 ppm2      1.461 !2

ASSI {902}   (( resid 101  and name  HG1 ))   (( resid 100  and name  HG1 )) 3.09 1.39 2.289 peak 18949 weight  1.00000E+00 volume  6.12083E+05 ppm1      2.693 ppm2      1.180 !1

ASSI {903}   (( resid 100  and name  HG1 ))   (  resid 101  and name  HE# ) 3.132 1.432 2.112 peak 18953 weight  1.00000E+00 volume  5.24510E+05 ppm1      2.696 ppm2      2.893 !1

ASSI {904}   (( resid 106  and name  HA2 ))   (( resid 100  and name  HG1 )) 3.424 1.724 3.334 peak 18958 weight  1.00000E+00 volume  2.65631E+05 ppm1      2.695 ppm2      4.099 !2

ASSI {905}   (( resid 102  and name  HA1 ))   (( resid 100  and name  HB1 )) 3.02 1.32 5.88 peak 22255 weight  1.00000E+00 volume  6.81150E+05 ppm1      3.847 ppm2      2.293 !2

ASSI {906}   (( resid 100  and name  HG1 ))   (( resid 100  and name  HB1 )) 2.86 1.06 1.06 peak 23050 weight  1.00000E+00 volume  1.22104E+06 ppm1      2.304 ppm2      2.674

ASSI {907}   (( resid 124  and name  HB1 ))   (( resid 100  and name  HG1 )) 2.787 1.087 2.337 peak 23629 weight  1.00000E+00 volume  1.46550E+06 ppm1      2.690 ppm2      2.182 !2

ASSI {908}   (( resid 101  and name  HG2 ))   (( resid 101  and name  HD1 )) 2.521 0.721 0.721 peak 10504 weight  1.00000E+00 volume  3.75341E+06 ppm1      1.620 ppm2      1.294

ASSI {909}   (( resid 101  and name  HD1 ))   (  resid 101  and name  HE# ) 2.437 0.6365 0.6365 peak 10509 weight  1.00000E+00 volume  5.48169E+06 ppm1      1.621 ppm2      2.911

ASSI {910}   (( resid 101  and name  HD1 ))   (( resid 105  and name  HB2 )) 3.217 1.417 1.417 peak 10514 weight  1.00000E+00 volume  4.33750E+05 ppm1      1.624 ppm2      3.749

ASSI {911}   (( resid 101  and name  HG2 ))   (( resid 106  and name  HA2 )) 3.429 1.629 1.629 peak 11070 weight  1.00000E+00 volume  2.59421E+05 ppm1      4.099 ppm2      1.284

ASSI {912}   (( resid 101  and name  HG2 ))   (( resid 106  and name  HA1 )) 3.209 1.409 1.409 peak 11071 weight  1.00000E+00 volume  4.41739E+05 ppm1      3.841 ppm2      1.284

ASSI {913}   (( resid 101  and name  HG1 ))   (( resid 106  and name  HA2 )) 3.314 1.514 1.514 peak 11073 weight  1.00000E+00 volume  3.38564E+05 ppm1      4.100 ppm2      1.181

ASSI {914}   (( resid 101  and name  HB1 ))   (  resid 101  and name  HE# ) 2.75 1.05 1.57 peak 12156 weight  1.00000E+00 volume  1.77749E+06 ppm1      2.909 ppm2      1.796 !1

ASSI {915}   (( resid 101  and name  HD2 ))   (  resid 101  and name  HE# ) 2.418 0.718 1.389 peak 12158 weight  1.00000E+00 volume  5.88358E+06 ppm1      2.910 ppm2      1.462 !1

ASSI {916}   (( resid 101  and name  HG2 ))   (  resid 101  and name  HE# ) 2.541 0.7405 0.7405 peak 12159 weight  1.00000E+00 volume  3.60613E+06 ppm1      2.911 ppm2      1.282

ASSI {917}   (( resid 106  and name  HA2 ))   (  resid 101  and name  HE# ) 3.086 1.286 1.286 peak 12167 weight  1.00000E+00 volume  6.64149E+05 ppm1      2.908 ppm2      4.110

ASSI {918}   (( resid 101  and name  HG2 ))   (( resid 101  and name  HB1 )) 2.815 1.015 1.015 peak 12175 weight  1.00000E+00 volume  1.41508E+06 ppm1      1.288 ppm2      1.790

ASSI {919}   (( resid 101  and name  HG1 ))   (( resid 101  and name  HB1 )) 3.068 1.368 2.128 peak 12176 weight  1.00000E+00 volume  6.43054E+05 ppm1      1.181 ppm2      1.796 !1

ASSI {920}   (( resid 101  and name  HG1 ))   (( resid 101  and name  HD1 )) 3.021 1.22 1.22 peak 12177 weight  1.00000E+00 volume  7.16620E+05 ppm1      1.177 ppm2      1.619

ASSI {921}   (( resid 101  and name  HG1 ))   (( resid 101  and name  HD2 )) 2.763 0.963 0.963 peak 12178 weight  1.00000E+00 volume  1.55320E+06 ppm1      1.182 ppm2      1.479
OR {921}   (( resid 101  and name  HG1 ))   (( resid 101  and name  HB2 ))

ASSI {922}   (( resid 101  and name  HG1 ))   (( resid 128  and name  HB1 )) 3.258 1.558 3.558 peak 12180 weight  1.00000E+00 volume  4.42219E+05 ppm1      1.176 ppm2      2.432 !2

ASSI {923}   (( resid 101  and name  HG1 ))   (  resid 101  and name  HE# ) 2.989 1.189 1.189 peak 12186 weight  1.00000E+00 volume  8.20290E+05 ppm1      1.178 ppm2      2.910

ASSI {924}   (( resid 101  and name  HG2 ))   (( resid 104  and name  HB2 )) 2.889 1.189 7.409 peak 13015 weight  1.00000E+00 volume  1.06836E+06 ppm1      2.075 ppm2      1.271 !2

ASSI {925}   (  resid 101  and name  HE# )   (( resid 105  and name  HB2 )) 3.148 1.448 2.378 peak 13077 weight  1.00000E+00 volume  5.33245E+05 ppm1      3.751 ppm2      2.920 !1

ASSI {926}   (  resid 101  and name  HE# )   (( resid 105  and name  HB1 )) 3.165 1.365 1.365 peak 13078 weight  1.00000E+00 volume  5.12325E+05 ppm1      3.779 ppm2      2.918

ASSI {927}   (( resid 101  and name  HB1 ))   (( resid 105  and name  HB1 )) 2.856 1.156 1.606 peak 13090 weight  1.00000E+00 volume  1.25606E+06 ppm1      3.777 ppm2      1.793 !1

ASSI {928}   (( resid 101  and name  HB1 ))   (( resid 105  and name  HB2 )) 2.843 1.043 1.043 peak 13091 weight  1.00000E+00 volume  1.27203E+06 ppm1      3.752 ppm2      1.793

ASSI {929}   (( resid 101  and name  HB2 ))   (( resid 105  and name  HB1 )) 2.674 0.874 0.874 peak 13094 weight  1.00000E+00 volume  2.21333E+06 ppm1      3.778 ppm2      1.490

ASSI {930}   (( resid 101  and name  HD2 ))   (( resid 105  and name  HB2 )) 2.671 0.8705 0.8705 peak 13096 weight  1.00000E+00 volume  2.26426E+06 ppm1      3.750 ppm2      1.459

ASSI {931}   (( resid 101  and name  HB2 ))   (( resid 105  and name  HB2 )) 2.663 0.8635 0.8635 peak 13097 weight  1.00000E+00 volume  2.27560E+06 ppm1      3.752 ppm2      1.489

ASSI {932}   (( resid 101  and name  HG2 ))   (( resid 105  and name  HB1 )) 3.103 1.403 2.083 peak 13098 weight  1.00000E+00 volume  6.07703E+05 ppm1      3.778 ppm2      1.280 !1

ASSI {933}   (( resid 101  and name  HG2 ))   (( resid 105  and name  HB2 )) 3.012 1.312 2.102 peak 13099 weight  1.00000E+00 volume  7.95083E+05 ppm1      3.745 ppm2      1.281 !1

ASSI {934}   (( resid 102  and name  HA1 ))   (( resid 101  and name  HB1 )) 2.992 1.292 2.162 peak 14812 weight  1.00000E+00 volume  7.63104E+05 ppm1      3.850 ppm2      1.796 !1

ASSI {935}   (( resid 101  and name  HB1 ))   (( resid 101  and name  HB2 )) 2.708 0.9085 0.9085 peak 17098 weight  1.00000E+00 volume  1.94833E+06 ppm1      1.492 ppm2      1.781

ASSI {936}   (( resid 101  and name  HB2 ))   (  resid 101  and name  HE# ) 3.397 1.597 1.597 peak 17104 weight  1.00000E+00 volume  2.86752E+05 ppm1      1.475 ppm2      2.918

ASSI {937}   (( resid 101  and name  HG1 ))   (  resid 98   and name  HG2#) 3.457 1.757 4.447 peak 20374 weight  1.00000E+00 volume  7.74735E+05 ppm1      0.413 ppm2      1.177 !3

ASSI {938}   (( resid 106  and name  HA2 ))   (( resid 101  and name  HD2 )) 3.274 1.474 1.474 peak 21000 weight  1.00000E+00 volume  3.89762E+05 ppm1      1.464 ppm2      4.102

ASSI {939}   (( resid 101  and name  HD2 ))   (( resid 105  and name  HB1 )) 2.663 0.8635 0.8635 peak 21768 weight  1.00000E+00 volume  2.28302E+06 ppm1      3.778 ppm2      1.454

ASSI {940}   (( resid 102  and name  HA1 ))   (( resid 104  and name  HB2 )) 3.428 1.728 4.578 peak 13029 weight  1.00000E+00 volume  2.51721E+05 ppm1      2.078 ppm2      3.827 !2

ASSI {941}   (( resid 102  and name  HA2 ))   (( resid 128  and name  HB1 )) 3.292 1.492 1.492 peak 14811 weight  1.00000E+00 volume  3.56875E+05 ppm1      3.784 ppm2      2.431

ASSI {942}   (( resid 102  and name  HA1 ))   (( resid 159  and name  HB2 )) 3.059 1.359 3.519 peak 14813 weight  1.00000E+00 volume  6.42701E+05 ppm1      3.852 ppm2      1.941 !3

ASSI {943}   (( resid 102  and name  HA2 ))   (  resid 161  and name  HD1#) 3.837 2.137 4.067 peak 14819 weight  1.00000E+00 volume  2.97392E+05 ppm1      3.780 ppm2      0.754 !1

ASSI {944}   (( resid 102  and name  HA1 ))   (  resid 161  and name  HD1#) 3.837 2.137 3.667 peak 14820 weight  1.00000E+00 volume  3.07053E+05 ppm1      3.842 ppm2      0.751 !2

ASSI {945}   (( resid 104  and name  HB1 ))   (( resid 103  and name  HB2 )) 3.333 1.633 4.363 peak 13021 weight  1.00000E+00 volume  3.25640E+05 ppm1      2.949 ppm2      2.382 !2

ASSI {946}   (( resid 104  and name  HB1 ))   (( resid 103  and name  HB1 )) 3.086 1.386 4.596 peak 13022 weight  1.00000E+00 volume  6.12404E+05 ppm1      2.945 ppm2      2.569 !3

ASSI {947}   (( resid 103  and name  HB2 ))   (( resid 105  and name  HB2 )) 3.288 1.588 2.098 peak 13083 weight  1.00000E+00 volume  3.79917E+05 ppm1      3.748 ppm2      2.405 !1

ASSI {948}   (( resid 103  and name  HB1 ))   (  resid 158  and name  HD# ) 3.037 1.337 4.027 peak 14716 weight  1.00000E+00 volume  6.66741E+05 ppm1      3.145 ppm2      2.585 !4

ASSI {949}   (( resid 103  and name  HB1 ))   (( resid 103  and name  HB2 )) 2.314 0.514 0.514 peak 19445 weight  1.00000E+00 volume  8.78846E+06 ppm1      2.599 ppm2      2.394

ASSI {950}   (  resid 127  and name  HG2#)   (  resid 104  and name  HD# ) 3.386 1.686 3.867 peak 10752 weight  1.00000E+00 volume  1.83103E+06 ppm1      1.005 ppm2      6.593 !3

ASSI {951}   (  resid 104  and name  HD# )   (( resid 129  and name  HB1 )) 3.942 2.242 2.923 peak 11507 weight  1.00000E+00 volume  1.73376E+05 ppm1      4.505 ppm2      6.597 !1

ASSI {952}   (  resid 104  and name  HD# )   (( resid 129  and name  HB2 )) 3.756 2.056 2.597 peak 11509 weight  1.00000E+00 volume  2.49751E+05 ppm1      4.297 ppm2      6.589 !1

ASSI {953}   (( resid 129  and name  HB2 ))   (  resid 104  and name  HE# ) 3.584 1.784 1.784 peak 11511 weight  1.00000E+00 volume  3.64816E+05 ppm1      4.291 ppm2      7.228

ASSI {954}   (( resid 104  and name  HB1 ))   (( resid 158  and name  HB2 )) 2.77 1.07 4.49 peak 13010 weight  1.00000E+00 volume  1.51668E+06 ppm1      2.951 ppm2      1.968 !4

ASSI {955}   (( resid 104  and name  HB2 ))   (( resid 158  and name  HB2 )) 2.486 0.786 3.956 peak 13011 weight  1.00000E+00 volume  3.83556E+06 ppm1      2.078 ppm2      1.968 !3

ASSI {956}   (  resid 131  and name  HG# )   (( resid 104  and name  HB2 )) 2.675 0.975 2.545 peak 13014 weight  1.00000E+00 volume  2.10618E+06 ppm1      2.073 ppm2      1.540 !2

ASSI {957}   (  resid 133  and name  HD# )   (( resid 104  and name  HB2 )) 3.644 1.944 6.005 peak 13018 weight  1.00000E+00 volume  4.50475E+05 ppm1      2.078 ppm2      0.750 !3

ASSI {958}   (( resid 104  and name  HB1 ))   (( resid 104  and name  HB2 )) 2.664 0.964 1.895 peak 13024 weight  1.00000E+00 volume  2.29112E+06 ppm1      2.072 ppm2      2.942 !1

ASSI {959}   (( resid 104  and name  HB2 ))   (( resid 129  and name  HB1 )) 3.573 1.873 3.193 peak 13030 weight  1.00000E+00 volume  1.84702E+05 ppm1      2.075 ppm2      4.491 !2

ASSI {960}   (  resid 104  and name  HD# )   (( resid 104  and name  HB2 )) 3.231 1.431 1.431 peak 13039 weight  1.00000E+00 volume  8.56709E+05 ppm1      2.075 ppm2      6.595

ASSI {961}   (( resid 104  and name  HB2 ))   (  resid 104  and name  HE# ) 3.488 1.688 1.688 peak 13042 weight  1.00000E+00 volume  4.38221E+05 ppm1      2.074 ppm2      7.217

ASSI {962}   (  resid 104  and name  HD# )   (  resid 158  and name  HD# ) 3.184 1.484 2.994 peak 14728 weight  1.00000E+00 volume  9.33692E+05 ppm1      3.141 ppm2      6.610 !3

ASSI {963}   (  resid 104  and name  HE# )   (  resid 158  and name  HD# ) 3.375 1.575 1.575 peak 14729 weight  1.00000E+00 volume  5.77774E+05 ppm1      3.140 ppm2      7.219

ASSI {964}   (( resid 158  and name  HB1 ))   (  resid 104  and name  HE# ) 4.138 2.337 2.337 peak 16983 weight  1.00000E+00 volume  1.08241E+05 ppm1      1.634 ppm2      7.215

ASSI {965}   (( resid 104  and name  HB1 ))   (( resid 156  and name  HG1 )) 3.446 1.746 4.396 peak 18649 weight  1.00000E+00 volume  2.65184E+05 ppm1      2.445 ppm2      2.938 !3

ASSI {966}   (( resid 104  and name  HB1 ))   (( resid 156  and name  HG2 )) 3.463 1.763 4.543 peak 18650 weight  1.00000E+00 volume  2.26335E+05 ppm1      2.055 ppm2      2.938 !2

ASSI {967}   (( resid 156  and name  HG1 ))   (( resid 104  and name  HZ  )) 3.03 1.33 1.78 peak 18654 weight  1.00000E+00 volume  7.33592E+05 ppm1      2.449 ppm2      6.888 !1

ASSI {968}   (( resid 156  and name  HG2 ))   (( resid 104  and name  HZ  )) 3.221 1.521 2.481 peak 18655 weight  1.00000E+00 volume  4.27270E+05 ppm1      2.037 ppm2      6.888 !1

ASSI {969}   (  resid 98   and name  HG2#)   (  resid 104  and name  HE# ) 3.636 1.936 4.196 peak 20396 weight  1.00000E+00 volume  1.03557E+06 ppm1      0.409 ppm2      7.231 !3

ASSI {970}   (( resid 106  and name  HA2 ))   (( resid 105  and name  HB1 )) 2.963 1.163 1.163 peak 13071 weight  1.00000E+00 volume  6.10432E+05 ppm1      3.776 ppm2      4.108

ASSI {971}   (( resid 106  and name  HA2 ))   (( resid 105  and name  HB2 )) 3.109 1.409 3.308 peak 13072 weight  1.00000E+00 volume  4.60545E+05 ppm1      3.749 ppm2      4.107 !2

ASSI {972}   (( resid 97   and name  HB1 ))   (( resid 107  and name  HG1 )) 3.625 1.925 5.405 peak 12731 weight  1.00000E+00 volume  1.53153E+05 ppm1      1.497 ppm2      2.344 !1

ASSI {973}   (( resid 107  and name  HG2 ))   (( resid 124  and name  HG2 )) 3.03 1.33 2.74 peak 15603 weight  1.00000E+00 volume  7.80490E+05 ppm1      1.849 ppm2      2.549 !2

ASSI {974}   (  resid 124  and name  HE# )   (( resid 107  and name  HB1 )) 2.738 1.038 1.538 peak 16166 weight  1.00000E+00 volume  5.43315E+06 ppm1      1.858 ppm2      2.033 !1

ASSI {975}   (( resid 107  and name  HG1 ))   (( resid 107  and name  HG2 )) 2.193 0.393 0.393 peak 17399 weight  1.00000E+00 volume  1.54808E+07 ppm1      2.358 ppm2      1.847
OR {975}   (( resid 107  and name  HG1 ))   (( resid 107  and name  HB1 ))

ASSI {976}   (  resid 124  and name  HE# )   (( resid 107  and name  HG1 )) 2.719 0.9185 0.9185 peak 17401 weight  1.00000E+00 volume  5.85721E+06 ppm1      2.355 ppm2      2.041

ASSI {977}   (( resid 108  and name  HG1 ))   (  resid 108  and name  HB# ) 2.405 0.6055 0.6055 peak 13351 weight  1.00000E+00 volume  5.87256E+06 ppm1      1.525 ppm2      1.461

ASSI {978}   (  resid 108  and name  HB# )   (( resid 98   and name  HG11)) 3.168 1.468 4.088 peak 13353 weight  1.00000E+00 volume  4.97560E+05 ppm1      1.529 ppm2      0.736 !2

ASSI {979}   (  resid 108  and name  HB# )   (  resid 99   and name  HB# ) 3.751 1.951 1.951 peak 13357 weight  1.00000E+00 volume  1.28498E+05 ppm1      1.516 ppm2      3.380

ASSI {980}   (  resid 108  and name  HE# )   (( resid 110  and name  HB2 )) 2.534 0.834 2.545 peak 15717 weight  1.00000E+00 volume  1.41447E+07 ppm1      1.785 ppm2      1.904 !2

ASSI {981}   (  resid 108  and name  HE# )   (( resid 97   and name  HG1 )) 3.045 1.345 2.164 peak 15718 weight  1.00000E+00 volume  2.46953E+06 ppm1      1.785 ppm2      2.213 !1

ASSI {982}   (  resid 108  and name  HE# )   (( resid 97   and name  HE21)) 3.162 1.462 2.322 peak 15729 weight  1.00000E+00 volume  1.68671E+06 ppm1      1.787 ppm2      7.897 !1

ASSI {983}   (( resid 108  and name  HG1 ))   (( resid 108  and name  HG2 )) 2.325 0.5255 0.5255 peak 15898 weight  1.00000E+00 volume  8.11335E+06 ppm1      1.455 ppm2      1.406

ASSI {984}   (( resid 108  and name  HG2 ))   (  resid 108  and name  HE# ) 3.095 1.395 2.285 peak 15900 weight  1.00000E+00 volume  1.99596E+06 ppm1      1.404 ppm2      1.780 !1

ASSI {985}   (( resid 108  and name  HG1 ))   (  resid 108  and name  HE# ) 3.102 1.302 1.302 peak 15901 weight  1.00000E+00 volume  1.85993E+06 ppm1      1.463 ppm2      1.773

ASSI {986}   (( resid 108  and name  HG2 ))   (( resid 97   and name  HG2 )) 3.334 1.634 2.494 peak 15904 weight  1.00000E+00 volume  3.13652E+05 ppm1      1.415 ppm2      2.148 !1

ASSI {987}   (( resid 108  and name  HG1 ))   (( resid 97   and name  HG2 )) 3.236 1.536 1.996 peak 15905 weight  1.00000E+00 volume  3.83513E+05 ppm1      1.457 ppm2      2.152 !1

ASSI {988}   (  resid 108  and name  HE# )   (  resid 96   and name  HG2#) 4.801 3.001 3.001 peak 18106 weight  1.00000E+00 volume  1.96842E+05 ppm1     -0.438 ppm2      1.796

ASSI {989}   (  resid 124  and name  HE# )   (  resid 109  and name  HD# ) 3.053 1.253 1.253 peak 11710 weight  1.00000E+00 volume  4.51695E+06 ppm1      2.026 ppm2      7.004

ASSI {990}   (( resid 109  and name  HB2 ))   (  resid 98   and name  HD1#) 3.747 1.947 1.947 peak 14208 weight  1.00000E+00 volume  3.85170E+05 ppm1      1.718 ppm2      0.303

ASSI {991}   (( resid 109  and name  HB1 ))   (( resid 98   and name  HG12)) 3.305 1.605 3.235 peak 19838 weight  1.00000E+00 volume  3.49650E+05 ppm1      2.599 ppm2      1.372 !2

ASSI {992}   (( resid 109  and name  HB1 ))   (( resid 98   and name  HG11)) 3.227 1.427 1.427 peak 19839 weight  1.00000E+00 volume  4.30389E+05 ppm1      2.608 ppm2      0.723

ASSI {993}   (( resid 109  and name  HB1 ))   (  resid 98   and name  HD1#) 3.774 1.974 1.974 peak 19840 weight  1.00000E+00 volume  3.67730E+05 ppm1      2.615 ppm2      0.307

ASSI {994}   (  resid 124  and name  HE# )   (( resid 109  and name  HB1 )) 4.027 2.227 2.227 peak 19841 weight  1.00000E+00 volume  2.22863E+05 ppm1      2.613 ppm2      2.049

ASSI {995}   (( resid 109  and name  HB1 ))   (( resid 111  and name  HB  )) 3.671 1.872 1.872 peak 19846 weight  1.00000E+00 volume  1.51543E+05 ppm1      2.601 ppm2      4.400

ASSI {996}   (( resid 109  and name  HB1 ))   (  resid 122  and name  HD# ) 3.907 2.107 2.107 peak 19855 weight  1.00000E+00 volume  1.79905E+05 ppm1      2.603 ppm2      6.582

ASSI {997}   (( resid 109  and name  HB1 ))   (( resid 122  and name  HZ  )) 3.556 1.756 1.756 peak 19857 weight  1.00000E+00 volume  1.96436E+05 ppm1      2.604 ppm2      7.155

ASSI {998}   (( resid 109  and name  HB1 ))   (  resid 122  and name  HE# ) 3.763 1.962 1.962 peak 19858 weight  1.00000E+00 volume  2.49703E+05 ppm1      2.607 ppm2      7.329

ASSI {999}   (( resid 109  and name  HB2 ))   (( resid 122  and name  HZ  )) 3.936 2.135 2.135 peak 19860 weight  1.00000E+00 volume  9.06737E+04 ppm1      1.714 ppm2      7.163

ASSI {1000}   (( resid 110  and name  HG2 ))   (( resid 110  and name  HB2 )) 2.701 0.901 0.901 peak 18898 weight  1.00000E+00 volume  2.00207E+06 ppm1      2.080 ppm2      1.904

ASSI {1001}   (( resid 110  and name  HG2 ))   (  resid 97   and name  HG# ) 2.881 1.181 1.761 peak 18899 weight  1.00000E+00 volume  1.11058E+06 ppm1      2.078 ppm2      2.176 !1

ASSI {1002}   (( resid 110  and name  HG1 ))   (( resid 97   and name  HG1 )) 2.91 1.21 3.22 peak 18900 weight  1.00000E+00 volume  9.92304E+05 ppm1      2.022 ppm2      2.179 !3

ASSI {1003}   (( resid 110  and name  HG2 ))   (  resid 95   and name  HG# ) 3.213 1.513 3.693 peak 18905 weight  1.00000E+00 volume  4.41374E+05 ppm1      2.081 ppm2      1.266 !2

ASSI {1004}   (( resid 110  and name  HG1 ))   (  resid 95   and name  HG# ) 3.152 1.452 4.032 peak 18906 weight  1.00000E+00 volume  5.27303E+05 ppm1      2.021 ppm2      1.275 !3

ASSI {1005}   (( resid 96   and name  HG12))   (( resid 110  and name  HB2 )) 2.987 1.287 4.448 peak 20204 weight  1.00000E+00 volume  8.22383E+05 ppm1      1.915 ppm2      0.922 !3

ASSI {1006}   (( resid 111  and name  HB  ))   (  resid 112  and name  HG2#) 3.913 2.113 2.113 peak 12821 weight  1.00000E+00 volume  2.82651E+05 ppm1      1.491 ppm2      4.400

ASSI {1007}   (( resid 111  and name  HB  ))   (  resid 122  and name  HE# ) 3.36 1.56 1.56 peak 14093 weight  1.00000E+00 volume  6.46064E+05 ppm1      4.396 ppm2      7.326

ASSI {1008}   (( resid 111  and name  HB  ))   (( resid 113  and name  HG1 )) 2.888 1.188 1.938 peak 14693 weight  1.00000E+00 volume  1.09638E+06 ppm1      2.345 ppm2      4.400 !1

ASSI {1009}   (  resid 98   and name  HG2#)   (( resid 111  and name  HB  )) 3.986 2.286 4.646 peak 20388 weight  1.00000E+00 volume  2.51589E+05 ppm1      0.412 ppm2      4.397 !2

ASSI {1010}   (  resid 111  and name  HG2#)   (  resid 127  and name  HG2#) 4.093 2.393 3.822 peak 20836 weight  1.00000E+00 volume  6.04165E+05 ppm1      1.470 ppm2      1.010 !1

ASSI {1011}   (  resid 111  and name  HG2#)   (  resid 127  and name  HD1#) 3.943 2.243 3.923 peak 20838 weight  1.00000E+00 volume  8.37752E+05 ppm1      1.470 ppm2      0.325 !1

ASSI {1012}   (  resid 111  and name  HG2#)   (( resid 96   and name  HB  )) 3.73 1.93 1.93 peak 20839 weight  1.00000E+00 volume  4.22349E+05 ppm1      1.467 ppm2      0.069

ASSI {1013}   (  resid 111  and name  HG2#)   (  resid 96   and name  HG2#) 3.122 1.322 1.322 peak 20840 weight  1.00000E+00 volume  5.62301E+06 ppm1      1.470 ppm2     -0.443

ASSI {1014}   (  resid 111  and name  HG2#)   (( resid 113  and name  HB2 )) 3.774 2.074 2.674 peak 20844 weight  1.00000E+00 volume  3.62196E+05 ppm1      1.474 ppm2      1.940 !1

ASSI {1015}   (  resid 111  and name  HG2#)   (( resid 111  and name  HB  )) 2.897 1.197 1.797 peak 20847 weight  1.00000E+00 volume  3.56378E+06 ppm1      1.470 ppm2      4.394 !1

ASSI {1016}   (  resid 111  and name  HG2#)   (  resid 139  and name  HD# ) 4.845 3.145 3.934 peak 20853 weight  1.00000E+00 volume  1.16285E+05 ppm1      1.478 ppm2      6.194 !1

ASSI {1017}   (  resid 111  and name  HG2#)   (  resid 145  and name  HE# ) 4.404 2.704 4.524 peak 20854 weight  1.00000E+00 volume  2.26634E+05 ppm1      1.466 ppm2      6.721 !2

ASSI {1018}   (  resid 111  and name  HG2#)   (  resid 122  and name  HD# ) 4.297 2.597 3.357 peak 20855 weight  1.00000E+00 volume  2.78377E+05 ppm1      1.469 ppm2      6.555 !1

ASSI {1019}   (  resid 111  and name  HG2#)   (( resid 137  and name  HH2 )) 3.147 1.447 1.857 peak 20856 weight  1.00000E+00 volume  1.68299E+06 ppm1      1.464 ppm2      6.913 !1

ASSI {1020}   (  resid 112  and name  HG2#)   (( resid 93   and name  HG2 )) 3.548 1.848 3.148 peak 12814 weight  1.00000E+00 volume  6.54440E+05 ppm1      1.493 ppm2      2.251 !2

ASSI {1021}   (( resid 95   and name  HD1 ))   (  resid 112  and name  HG2#) 3.078 1.278 1.278 peak 12815 weight  1.00000E+00 volume  2.14454E+06 ppm1      1.495 ppm2      1.686

ASSI {1022}   (  resid 96   and name  HG2#)   (  resid 112  and name  HG2#) 4.321 2.52 2.52 peak 12817 weight  1.00000E+00 volume  4.17464E+05 ppm1      1.485 ppm2     -0.430

ASSI {1023}   (( resid 95   and name  HB2 ))   (( resid 112  and name  HB  )) 3.103 1.303 1.303 peak 15365 weight  1.00000E+00 volume  5.93420E+05 ppm1      2.079 ppm2      4.959

ASSI {1024}   (( resid 95   and name  HB1 ))   (( resid 112  and name  HB  )) 3.024 1.324 2.884 peak 15367 weight  1.00000E+00 volume  7.13554E+05 ppm1      1.556 ppm2      4.951 !2

ASSI {1025}   (( resid 112  and name  HB  ))   (( resid 113  and name  HG2 )) 3.675 1.875 1.875 peak 20463 weight  1.00000E+00 volume  1.55059E+05 ppm1      4.961 ppm2      2.471

ASSI {1026}   (( resid 93   and name  HG1 ))   (( resid 112  and name  HB  )) 3.547 1.847 2.617 peak 20464 weight  1.00000E+00 volume  1.99068E+05 ppm1      4.964 ppm2      2.300 !1

ASSI {1027}   (( resid 112  and name  HB  ))   (  resid 95   and name  HG# ) 3.174 1.474 3.874 peak 20468 weight  1.00000E+00 volume  5.37884E+05 ppm1      4.953 ppm2      1.291 !2

ASSI {1028}   (  resid 96   and name  HG2#)   (( resid 112  and name  HB  )) 4.202 2.402 2.402 peak 20470 weight  1.00000E+00 volume  1.70381E+05 ppm1      4.962 ppm2     -0.435

ASSI {1029}   (  resid 112  and name  HG2#)   (( resid 112  and name  HB  )) 2.616 0.816 0.816 peak 21656 weight  1.00000E+00 volume  8.92136E+06 ppm1      1.493 ppm2      4.974

ASSI {1030}   (( resid 113  and name  HB1 ))   (  resid 175  and name  HD# ) 2.821 1.121 2.151 peak 11839 weight  1.00000E+00 volume  1.19953E+06 ppm1      2.808 ppm2      2.347 !1
OR {1030}   (  resid 175  and name  HD# )   (( resid 113  and name  HG1 ))

ASSI {1031}   (( resid 113  and name  HB2 ))   (  resid 175  and name  HG# ) 3.654 1.954 3.414 peak 12582 weight  1.00000E+00 volume  1.68838E+05 ppm1      0.555 ppm2      1.956 !1

ASSI {1032}   (( resid 113  and name  HG1 ))   (( resid 113  and name  HG2 )) 2.167 0.467 1.617 peak 14681 weight  1.00000E+00 volume  1.78119E+07 ppm1      2.458 ppm2      2.333 !1

ASSI {1033}   (( resid 113  and name  HB2 ))   (( resid 113  and name  HG1 )) 2.415 0.615 0.615 peak 16077 weight  1.00000E+00 volume  5.77378E+06 ppm1      1.944 ppm2      2.335

ASSI {1034}   (( resid 114  and name  HB1 ))   (( resid 114  and name  HB2 )) 2.605 0.8045 0.8045 peak 11134 weight  1.00000E+00 volume  2.78120E+06 ppm1      3.310 ppm2      2.548

ASSI {1035}   (( resid 174  and name  HB1 ))   (( resid 114  and name  HB1 )) 3.2 1.4 1.4 peak 11138 weight  1.00000E+00 volume  4.43742E+05 ppm1      3.315 ppm2      1.733

ASSI {1036}   (( resid 174  and name  HB2 ))   (( resid 114  and name  HB1 )) 3.211 1.411 1.411 peak 11139 weight  1.00000E+00 volume  4.30785E+05 ppm1      3.315 ppm2      1.669

ASSI {1037}   (( resid 174  and name  HB2 ))   (( resid 114  and name  HB2 )) 3.164 1.364 1.364 peak 11140 weight  1.00000E+00 volume  4.94355E+05 ppm1      2.551 ppm2      1.667

ASSI {1038}   (( resid 174  and name  HB1 ))   (( resid 114  and name  HB2 )) 3.217 1.417 1.417 peak 11141 weight  1.00000E+00 volume  4.24391E+05 ppm1      2.549 ppm2      1.732

ASSI {1039}   (( resid 115  and name  HB2 ))   (( resid 114  and name  HB1 )) 3.599 1.899 2.609 peak 11143 weight  1.00000E+00 volume  1.72749E+05 ppm1      3.305 ppm2      1.018 !1

ASSI {1040}   (  resid 96   and name  HD1#)   (( resid 114  and name  HB2 )) 4.027 2.327 4.117 peak 11144 weight  1.00000E+00 volume  2.21766E+05 ppm1      2.550 ppm2     -0.567 !2

ASSI {1041}   (( resid 114  and name  HB1 ))   (( resid 140  and name  HB2 )) 3.112 1.412 6.492 peak 14347 weight  1.00000E+00 volume  5.73732E+05 ppm1      3.591 ppm2      3.296 !3

ASSI {1042}   (( resid 116  and name  HD2 ))   (( resid 114  and name  HB2 )) 3.514 1.814 2.374 peak 15191 weight  1.00000E+00 volume  2.30461E+05 ppm1      3.473 ppm2      2.537 !1

ASSI {1043}   (( resid 115  and name  HB2 ))   (( resid 114  and name  HB2 )) 3.577 1.877 2.527 peak 19304 weight  1.00000E+00 volume  1.75014E+05 ppm1      1.034 ppm2      2.543 !1

ASSI {1044}   (( resid 116  and name  HG2 ))   (( resid 114  and name  HB1 )) 3.682 1.982 5.182 peak 22408 weight  1.00000E+00 volume  1.55062E+05 ppm1      2.012 ppm2      3.292 !3

ASSI {1045}   (  resid 118  and name  HD1#)   (( resid 115  and name  HB2 )) 3.465 1.765 2.174 peak 19295 weight  1.00000E+00 volume  7.13459E+05 ppm1      1.038 ppm2      0.657 !1

ASSI {1046}   (( resid 115  and name  HB2 ))   (  resid 98   and name  HD1#) 4.177 2.377 2.377 peak 19297 weight  1.00000E+00 volume  1.63284E+05 ppm1      1.038 ppm2      0.310

ASSI {1047}   (( resid 115  and name  HB2 ))   (( resid 174  and name  HB1 )) 3.337 1.637 3.597 peak 19299 weight  1.00000E+00 volume  3.18611E+05 ppm1      1.040 ppm2      1.744 !1

ASSI {1048}   (( resid 115  and name  HB2 ))   (( resid 116  and name  HG2 )) 3.018 1.318 3.777 peak 19302 weight  1.00000E+00 volume  7.74451E+05 ppm1      1.033 ppm2      2.034 !2

ASSI {1049}   (( resid 116  and name  HD2 ))   (( resid 115  and name  HB2 )) 3.67 1.869 1.869 peak 19306 weight  1.00000E+00 volume  1.58079E+05 ppm1      1.033 ppm2      3.485

ASSI {1050}   (( resid 116  and name  HD2 ))   (( resid 115  and name  HB1 )) 3.676 1.876 1.876 peak 19307 weight  1.00000E+00 volume  1.49168E+05 ppm1      2.353 ppm2      3.471

ASSI {1051}   (( resid 115  and name  HB2 ))   (  resid 122  and name  HD# ) 3.841 2.041 2.041 peak 19319 weight  1.00000E+00 volume  2.18375E+05 ppm1      1.038 ppm2      6.559

ASSI {1052}   (  resid 173  and name  HD# )   (( resid 115  and name  HB2 )) 3.514 1.714 1.714 peak 19321 weight  1.00000E+00 volume  4.32168E+05 ppm1      1.037 ppm2      6.999

ASSI {1053}   (( resid 115  and name  HB1 ))   (( resid 121  and name  HE21)) 3.333 1.633 2.863 peak 19322 weight  1.00000E+00 volume  3.27712E+05 ppm1      2.350 ppm2      7.018 !1

ASSI {1054}   (( resid 127  and name  HG11))   (( resid 115  and name  HB1 )) 3.505 1.805 5.075 peak 23729 weight  1.00000E+00 volume  2.26078E+05 ppm1      2.345 ppm2      0.841 !3

ASSI {1055}   (  resid 118  and name  HD1#)   (( resid 115  and name  HB1 )) 4.179 2.379 2.379 peak 23732 weight  1.00000E+00 volume  1.66507E+05 ppm1      2.360 ppm2      0.664

ASSI {1056}   (( resid 174  and name  HB1 ))   (  resid 116  and name  HB# ) 2.401 0.701 4.641 peak 12673 weight  1.00000E+00 volume  5.87900E+06 ppm1      1.925 ppm2      1.709 !3

ASSI {1057}   (( resid 121  and name  HG2 ))   (  resid 116  and name  HB# ) 3.223 1.523 3.572 peak 12674 weight  1.00000E+00 volume  4.08886E+05 ppm1      1.914 ppm2      1.191 !2

ASSI {1058}   (  resid 172  and name  HB# )   (  resid 116  and name  HB# ) 2.913 1.213 1.613 peak 12681 weight  1.00000E+00 volume  1.02993E+06 ppm1      1.918 ppm2      4.218 !1

ASSI {1059}   (( resid 116  and name  HG1 ))   (( resid 116  and name  HG2 )) 2.624 0.924 1.494 peak 15161 weight  1.00000E+00 volume  2.50492E+06 ppm1      1.898 ppm2      2.012 !1

ASSI {1060}   (( resid 116  and name  HD2 ))   (( resid 116  and name  HG1 )) 3.02 1.22 1.22 peak 15168 weight  1.00000E+00 volume  7.79595E+05 ppm1      1.894 ppm2      3.471

ASSI {1061}   (( resid 116  and name  HG1 ))   (  resid 145  and name  HD# ) 4.11 2.31 2.31 peak 15176 weight  1.00000E+00 volume  1.15356E+05 ppm1      1.900 ppm2      6.722
OR {1061}   (  resid 145  and name  HE# )   (( resid 116  and name  HG1 ))

ASSI {1062}   (( resid 116  and name  HG2 ))   (  resid 145  and name  HD# ) 3.859 2.058 2.058 peak 15177 weight  1.00000E+00 volume  2.13665E+05 ppm1      2.007 ppm2      6.716
OR {1062}   (  resid 145  and name  HE# )   (( resid 116  and name  HG2 ))

ASSI {1063}   (( resid 116  and name  HD2 ))   (( resid 120  and name  HG1 )) 3.55 1.85 3.76 peak 15194 weight  1.00000E+00 volume  2.12376E+05 ppm1      3.467 ppm2      2.217 !2

ASSI {1064}   (( resid 116  and name  HD2 ))   (( resid 116  and name  HG2 )) 2.792 0.9925 0.9925 peak 15195 weight  1.00000E+00 volume  1.52978E+06 ppm1      3.468 ppm2      2.021

ASSI {1065}   (( resid 116  and name  HD2 ))   (  resid 145  and name  HD# ) 3.804 2.005 2.005 peak 15222 weight  1.00000E+00 volume  2.47940E+05 ppm1      3.466 ppm2      6.720
OR {1065}   (( resid 116  and name  HD2 ))   (  resid 145  and name  HE# )

ASSI {1066}   (( resid 116  and name  HG2 ))   (( resid 117  and name  HB2 )) 3.174 1.474 2.284 peak 16685 weight  1.00000E+00 volume  5.05310E+05 ppm1      3.520 ppm2      2.003 !1

ASSI {1067}   (( resid 116  and name  HG1 ))   (( resid 117  and name  HB2 )) 2.859 1.159 2.318 peak 16686 weight  1.00000E+00 volume  1.24641E+06 ppm1      3.519 ppm2      1.895 !1

ASSI {1068}   (  resid 118  and name  HD1#)   (( resid 116  and name  HD2 )) 4.218 2.518 4.717 peak 17743 weight  1.00000E+00 volume  1.69374E+05 ppm1      0.640 ppm2      3.477 !2

ASSI {1069}   (( resid 116  and name  HD2 ))   (( resid 121  and name  HB2 )) 3.616 1.916 2.346 peak 20689 weight  1.00000E+00 volume  1.87948E+05 ppm1      0.881 ppm2      3.490 !1

ASSI {1070}   (( resid 117  and name  HB2 ))   (( resid 121  and name  HG1 )) 3.66 1.96 2.98 peak 12989 weight  1.00000E+00 volume  1.51047E+05 ppm1      1.536 ppm2      3.508 !1

ASSI {1071}   (( resid 117  and name  HB1 ))   (( resid 117  and name  HB2 )) 2.646 0.946 1.636 peak 14579 weight  1.00000E+00 volume  2.50947E+06 ppm1      3.969 ppm2      3.526 !1

ASSI {1072}   (( resid 117  and name  HB1 ))   (( resid 119  and name  HG2 )) 3.312 1.612 2.472 peak 14583 weight  1.00000E+00 volume  3.44631E+05 ppm1      3.961 ppm2      2.638 !2

ASSI {1073}   (( resid 117  and name  HB1 ))   (( resid 143  and name  HB2 )) 3.331 1.531 1.531 peak 14585 weight  1.00000E+00 volume  3.34781E+05 ppm1      3.970 ppm2      2.447

ASSI {1074}   (( resid 117  and name  HB1 ))   (( resid 120  and name  HB2 )) 2.849 1.05 1.05 peak 14588 weight  1.00000E+00 volume  1.26414E+06 ppm1      3.970 ppm2      1.857

ASSI {1075}   (( resid 117  and name  HB2 ))   (( resid 120  and name  HB2 )) 2.914 1.214 1.904 peak 15530 weight  1.00000E+00 volume  1.10281E+06 ppm1      1.845 ppm2      3.517 !1

ASSI {1076}   (( resid 117  and name  HB2 ))   (( resid 120  and name  HB1 )) 2.852 1.052 1.052 peak 15531 weight  1.00000E+00 volume  1.36986E+06 ppm1      1.949 ppm2      3.521

ASSI {1077}   (( resid 117  and name  HB2 ))   (( resid 143  and name  HB2 )) 3.381 1.581 1.581 peak 16683 weight  1.00000E+00 volume  3.19429E+05 ppm1      3.515 ppm2      2.433

ASSI {1078}   (( resid 117  and name  HB2 ))   (( resid 120  and name  HG1 )) 3.271 1.471 1.471 peak 16684 weight  1.00000E+00 volume  4.07876E+05 ppm1      3.516 ppm2      2.227

ASSI {1079}   (( resid 117  and name  HB2 ))   (( resid 143  and name  HB1 )) 2.883 1.183 2.563 peak 16687 weight  1.00000E+00 volume  1.17249E+06 ppm1      3.517 ppm2      1.821 !2

ASSI {1080}   (( resid 121  and name  HB1 ))   (( resid 117  and name  HB2 )) 3.75 1.95 1.95 peak 24236 weight  1.00000E+00 volume  1.28360E+05 ppm1      1.522 ppm2      3.503

ASSI {1081}   (  resid 118  and name  HD1#)   (  resid 127  and name  HG2#) 3.088 1.288 1.288 peak 10729 weight  1.00000E+00 volume  6.02620E+06 ppm1      1.008 ppm2      0.654

ASSI {1082}   (( resid 118  and name  HB  ))   (  resid 170  and name  HG1#) 3.673 1.973 3.503 peak 10848 weight  1.00000E+00 volume  4.92186E+05 ppm1      0.473 ppm2      1.788 !3

ASSI {1083}   (  resid 118  and name  HD1#)   (  resid 143  and name  HG# ) 4.015 2.315 3.885 peak 11380 weight  1.00000E+00 volume  2.18456E+05 ppm1      2.047 ppm2      0.652 !2

ASSI {1084}   (  resid 124  and name  HE# )   (  resid 118  and name  HD1#) 3.371 1.571 1.571 peak 11692 weight  1.00000E+00 volume  3.05494E+06 ppm1      2.023 ppm2      0.643

ASSI {1085}   (( resid 171  and name  HG2 ))   (  resid 118  and name  HD1#) 3.772 2.072 3.742 peak 12436 weight  1.00000E+00 volume  3.56519E+05 ppm1      2.336 ppm2      0.652 !2

ASSI {1086}   (( resid 127  and name  HG11))   (( resid 118  and name  HG11)) 3.147 1.447 2.737 peak 13585 weight  1.00000E+00 volume  5.00917E+05 ppm1      1.044 ppm2      0.841 !2

ASSI {1087}   (  resid 118  and name  HD1#)   (( resid 118  and name  HG11)) 3.199 1.399 1.399 peak 13586 weight  1.00000E+00 volume  1.44909E+06 ppm1      1.045 ppm2      0.646

ASSI {1088}   (  resid 118  and name  HD1#)   (( resid 118  and name  HG12)) 2.901 1.201 1.901 peak 13587 weight  1.00000E+00 volume  3.12840E+06 ppm1      1.531 ppm2      0.647 !1

ASSI {1089}   (  resid 170  and name  HG1#)   (( resid 118  and name  HG11)) 4.048 2.348 3.828 peak 13588 weight  1.00000E+00 volume  2.14521E+05 ppm1      1.049 ppm2      0.462 !3

ASSI {1090}   (  resid 170  and name  HG1#)   (( resid 118  and name  HG12)) 3.961 2.261 4.001 peak 13589 weight  1.00000E+00 volume  2.54051E+05 ppm1      1.530 ppm2      0.477 !3

ASSI {1091}   (( resid 118  and name  HG11))   (  resid 98   and name  HD1#) 4.026 2.226 2.226 peak 13590 weight  1.00000E+00 volume  2.12171E+05 ppm1      1.046 ppm2      0.302

ASSI {1092}   (( resid 118  and name  HG12))   (  resid 98   and name  HD1#) 3.708 2.008 2.868 peak 13591 weight  1.00000E+00 volume  4.06367E+05 ppm1      1.530 ppm2      0.316 !1

ASSI {1093}   (( resid 96   and name  HG11))   (( resid 118  and name  HG12)) 3.736 2.036 4.986 peak 13592 weight  1.00000E+00 volume  1.29654E+05 ppm1      1.528 ppm2      0.142 !3

ASSI {1094}   (( resid 118  and name  HG11))   (( resid 173  and name  HB1 )) 3.617 1.917 2.477 peak 13601 weight  1.00000E+00 volume  1.81811E+05 ppm1      1.035 ppm2      3.494 !1

ASSI {1095}   (  resid 172  and name  HB# )   (( resid 118  and name  HG12)) 3.183 1.483 2.452 peak 13607 weight  1.00000E+00 volume  4.63744E+05 ppm1      1.526 ppm2      4.209 !1

ASSI {1096}   (  resid 172  and name  HB# )   (( resid 118  and name  HG11)) 3.853 2.053 2.053 peak 13608 weight  1.00000E+00 volume  9.88177E+04 ppm1      1.051 ppm2      4.208

ASSI {1097}   (  resid 122  and name  HD# )   (( resid 118  and name  HG11)) 3.843 2.143 3.163 peak 13614 weight  1.00000E+00 volume  2.06500E+05 ppm1      1.047 ppm2      6.590 !1

ASSI {1098}   (  resid 118  and name  HD1#)   (( resid 124  and name  HB1 )) 3.751 1.951 1.951 peak 13788 weight  1.00000E+00 volume  3.99552E+05 ppm1      2.190 ppm2      0.652

ASSI {1099}   (  resid 118  and name  HD1#)   (( resid 124  and name  HB2 )) 3.612 1.912 2.552 peak 13790 weight  1.00000E+00 volume  5.13011E+05 ppm1      1.718 ppm2      0.656 !1

ASSI {1100}   (( resid 127  and name  HG11))   (( resid 118  and name  HB  )) 3.321 1.621 2.231 peak 14279 weight  1.00000E+00 volume  3.54968E+05 ppm1      1.790 ppm2      0.828 !1

ASSI {1101}   (( resid 118  and name  HB  ))   (  resid 118  and name  HD1#) 3.235 1.435 1.435 peak 14280 weight  1.00000E+00 volume  1.31520E+06 ppm1      1.788 ppm2      0.636

ASSI {1102}   (( resid 118  and name  HB  ))   (  resid 98   and name  HD1#) 3.955 2.155 2.155 peak 14281 weight  1.00000E+00 volume  2.59457E+05 ppm1      1.803 ppm2      0.313

ASSI {1103}   (( resid 122  and name  HB2 ))   (( resid 118  and name  HB  )) 3.25 1.55 2.62 peak 14286 weight  1.00000E+00 volume  4.13435E+05 ppm1      1.801 ppm2      2.385 !2

ASSI {1104}   (  resid 172  and name  HB# )   (( resid 118  and name  HB  )) 3.705 1.905 1.905 peak 14291 weight  1.00000E+00 volume  1.35554E+05 ppm1      1.798 ppm2      4.216

ASSI {1105}   (( resid 119  and name  HB1 ))   (  resid 118  and name  HG2#) 3.599 1.8 1.8 peak 15950 weight  1.00000E+00 volume  2.49673E+05 ppm1      2.108 ppm2      1.043
OR {1105}   (( resid 119  and name  HB1 ))   (( resid 118  and name  HG11))

ASSI {1106}   (( resid 119  and name  HB2 ))   (  resid 118  and name  HG2#) 3.396 1.595 1.595 peak 15952 weight  1.00000E+00 volume  4.12149E+05 ppm1      1.921 ppm2      1.037
OR {1106}   (( resid 119  and name  HB2 ))   (( resid 118  and name  HG11))

ASSI {1107}   (  resid 127  and name  HD1#)   (  resid 118  and name  HD1#) 3.315 1.615 2.345 peak 17731 weight  1.00000E+00 volume  3.23583E+06 ppm1      0.639 ppm2      0.356 !1

ASSI {1108}   (  resid 172  and name  HB# )   (  resid 118  and name  HD1#) 3.915 2.115 2.115 peak 17746 weight  1.00000E+00 volume  2.89071E+05 ppm1      0.643 ppm2      4.195

ASSI {1109}   (  resid 118  and name  HD1#)   (  resid 139  and name  HE# ) 4.508 2.708 2.708 peak 17751 weight  1.00000E+00 volume  1.89767E+05 ppm1      0.642 ppm2      5.441

ASSI {1110}   (  resid 118  and name  HD1#)   (  resid 139  and name  HD# ) 4.694 2.894 2.894 peak 17752 weight  1.00000E+00 volume  1.58304E+05 ppm1      0.638 ppm2      6.180

ASSI {1111}   (( resid 141  and name  HG1 ))   (  resid 118  and name  HD1#) 4.335 2.635 4.134 peak 17864 weight  1.00000E+00 volume  1.25813E+05 ppm1      2.642 ppm2      0.624 !2

ASSI {1112}   (( resid 141  and name  HG2 ))   (  resid 118  and name  HD1#) 3.722 2.022 4.972 peak 17865 weight  1.00000E+00 volume  4.19306E+05 ppm1      2.326 ppm2      0.640 !3

ASSI {1113}   (  resid 118  and name  HD1#)   (  resid 98   and name  HD1#) 3.468 1.668 1.668 peak 17931 weight  1.00000E+00 volume  2.26660E+06 ppm1      0.296 ppm2      0.654

ASSI {1114}   (  resid 118  and name  HD1#)   (( resid 124  and name  HG2 )) 3.799 2.099 3.619 peak 19906 weight  1.00000E+00 volume  3.37865E+05 ppm1      2.573 ppm2      0.654 !2

ASSI {1115}   (( resid 122  and name  HB2 ))   (  resid 118  and name  HD1#) 4.308 2.508 2.508 peak 20576 weight  1.00000E+00 volume  1.26461E+05 ppm1      2.362 ppm2      0.649

ASSI {1116}   (( resid 122  and name  HB1 ))   (  resid 118  and name  HD1#) 4.289 2.489 2.489 peak 20579 weight  1.00000E+00 volume  1.35652E+05 ppm1      2.790 ppm2      0.638

ASSI {1117}   (  resid 118  and name  HD1#)   (( resid 98   and name  HB  )) 3.747 2.047 2.617 peak 20979 weight  1.00000E+00 volume  3.86742E+05 ppm1      1.694 ppm2      0.635 !1

ASSI {1118}   (( resid 118  and name  HB  ))   (  resid 122  and name  HD# ) 3.66 1.86 1.86 peak 22074 weight  1.00000E+00 volume  3.18625E+05 ppm1      1.797 ppm2      6.572

ASSI {1119}   (( resid 120  and name  HB1 ))   (  resid 119  and name  HE# ) 3.0 1.3 4.53 peak 14099 weight  1.00000E+00 volume  5.17739E+08 ppm1      1.949 ppm2      1.947 !3

ASSI {1120}   (( resid 119  and name  HG2 ))   (  resid 119  and name  HE# ) 2.925 1.125 1.125 peak 14100 weight  1.00000E+00 volume  3.34080E+06 ppm1      1.947 ppm2      2.653

ASSI {1121}   (  resid 125  and name  HD# )   (  resid 119  and name  HE# ) 3.066 1.366 2.356 peak 14102 weight  1.00000E+00 volume  2.38515E+06 ppm1      1.949 ppm2      3.238 !2

ASSI {1122}   (  resid 123  and name  HB# )   (  resid 119  and name  HE# ) 3.292 1.592 3.412 peak 14103 weight  1.00000E+00 volume  1.31196E+06 ppm1      1.948 ppm2      3.456 !2

ASSI {1123}   (  resid 123  and name  HB# )   (( resid 119  and name  HG1 )) 3.561 1.761 1.761 peak 14116 weight  1.00000E+00 volume  1.95391E+05 ppm1      3.461 ppm2      2.399

ASSI {1124}   (( resid 119  and name  HB2 ))   (( resid 119  and name  HG2 )) 2.806 1.006 1.006 peak 15957 weight  1.00000E+00 volume  1.48993E+06 ppm1      1.914 ppm2      2.640

ASSI {1125}   (( resid 119  and name  HG1 ))   (( resid 119  and name  HG2 )) 2.287 0.587 1.226 peak 17701 weight  1.00000E+00 volume  1.03373E+07 ppm1      2.408 ppm2      2.642 !1

ASSI {1126}   (( resid 119  and name  HB1 ))   (( resid 119  and name  HG2 )) 2.712 1.012 1.662 peak 17702 weight  1.00000E+00 volume  2.10878E+06 ppm1      2.649 ppm2      2.108 !1

ASSI {1127}   (( resid 119  and name  HB1 ))   (( resid 119  and name  HG1 )) 2.643 0.8425 0.8425 peak 17703 weight  1.00000E+00 volume  2.37984E+06 ppm1      2.409 ppm2      2.105

ASSI {1128}   (( resid 121  and name  HB2 ))   (( resid 119  and name  HG2 )) 3.417 1.717 6.117 peak 17710 weight  1.00000E+00 volume  2.56826E+05 ppm1      2.653 ppm2      0.881 !3

ASSI {1129}   (  resid 123  and name  HB# )   (( resid 119  and name  HG2 )) 3.977 2.277 2.927 peak 17713 weight  1.00000E+00 volume  8.50811E+04 ppm1      2.657 ppm2      3.477 !1

ASSI {1130}   (( resid 120  and name  HB1 ))   (( resid 120  and name  HB2 )) 2.28 0.4805 0.4805 peak 15509 weight  1.00000E+00 volume  1.07170E+07 ppm1      1.952 ppm2      1.844

ASSI {1131}   (( resid 121  and name  HG2 ))   (( resid 120  and name  HB2 )) 3.415 1.715 4.255 peak 15514 weight  1.00000E+00 volume  2.50160E+05 ppm1      1.853 ppm2      1.186 !2

ASSI {1132}   (( resid 121  and name  HB2 ))   (( resid 120  and name  HB1 )) 3.306 1.606 3.606 peak 15517 weight  1.00000E+00 volume  3.57529E+05 ppm1      1.955 ppm2      0.880 !3

ASSI {1133}   (( resid 120  and name  HG2 ))   (( resid 120  and name  HB1 )) 2.514 0.814 1.864 peak 15519 weight  1.00000E+00 volume  3.83023E+06 ppm1      1.951 ppm2      2.262 !1

ASSI {1134}   (( resid 120  and name  HG2 ))   (( resid 120  and name  HB2 )) 2.64 0.84 0.84 peak 15521 weight  1.00000E+00 volume  2.44472E+06 ppm1      1.847 ppm2      2.259

ASSI {1135}   (( resid 121  and name  HB2 ))   (( resid 120  and name  HB2 )) 3.282 1.582 3.992 peak 20680 weight  1.00000E+00 volume  3.94029E+05 ppm1      0.877 ppm2      1.858 !3

ASSI {1136}   (( resid 121  and name  HB2 ))   (( resid 120  and name  HG2 )) 3.575 1.875 3.045 peak 20685 weight  1.00000E+00 volume  1.91178E+05 ppm1      0.889 ppm2      2.256 !2

ASSI {1137}   (( resid 121  and name  HG1 ))   (( resid 121  and name  HG2 )) 2.301 0.5015 0.5015 peak 12975 weight  1.00000E+00 volume  9.61952E+06 ppm1      1.530 ppm2      1.171

ASSI {1138}   (( resid 121  and name  HB2 ))   (( resid 121  and name  HG2 )) 2.636 0.8365 0.8365 peak 12976 weight  1.00000E+00 volume  2.66470E+06 ppm1      1.169 ppm2      0.889

ASSI {1139}   (( resid 121  and name  HB2 ))   (( resid 121  and name  HG1 )) 2.732 0.932 0.932 peak 12977 weight  1.00000E+00 volume  1.80334E+06 ppm1      1.534 ppm2      0.890

ASSI {1140}   (  resid 127  and name  HD1#)   (( resid 121  and name  HG1 )) 3.781 2.081 3.341 peak 12981 weight  1.00000E+00 volume  3.48654E+05 ppm1      1.535 ppm2      0.336 !1

ASSI {1141}   (( resid 122  and name  HB2 ))   (( resid 121  and name  HG2 )) 3.473 1.673 1.673 peak 12984 weight  1.00000E+00 volume  2.46819E+05 ppm1      1.168 ppm2      2.385

ASSI {1142}   (  resid 122  and name  HD# )   (( resid 121  and name  HG1 )) 3.721 2.021 2.751 peak 12999 weight  1.00000E+00 volume  2.77523E+05 ppm1      1.526 ppm2      6.569 !1

ASSI {1143}   (  resid 122  and name  HD# )   (( resid 121  and name  HG2 )) 3.563 1.763 1.763 peak 13000 weight  1.00000E+00 volume  3.87171E+05 ppm1      1.166 ppm2      6.563

ASSI {1144}   (( resid 121  and name  HG2 ))   (( resid 121  and name  HE22)) 3.2 1.4 1.4 peak 13001 weight  1.00000E+00 volume  4.64490E+05 ppm1      1.174 ppm2      6.792

ASSI {1145}   (( resid 121  and name  HB2 ))   (  resid 96   and name  HG2#) 3.213 1.513 6.333 peak 18101 weight  1.00000E+00 volume  1.39561E+06 ppm1     -0.443 ppm2      0.886 !2

ASSI {1146}   (( resid 121  and name  HB1 ))   (( resid 121  and name  HB2 )) 2.434 0.634 0.634 peak 20678 weight  1.00000E+00 volume  5.53389E+06 ppm1      1.521 ppm2      0.880

ASSI {1147}   (( resid 121  and name  HB1 ))   (  resid 122  and name  HD# ) 3.674 1.874 1.874 peak 20700 weight  1.00000E+00 volume  3.13212E+05 ppm1      1.519 ppm2      6.571

ASSI {1148}   (( resid 121  and name  HB2 ))   (  resid 122  and name  HD# ) 3.533 1.733 1.733 peak 24240 weight  1.00000E+00 volume  4.37438E+05 ppm1      0.880 ppm2      6.572

ASSI {1149}   (  resid 127  and name  HG2#)   (  resid 122  and name  HE# ) 3.603 1.903 4.362 peak 10762 weight  1.00000E+00 volume  1.09702E+06 ppm1      1.006 ppm2      7.345 !3

ASSI {1150}   (( resid 122  and name  HB2 ))   (( resid 124  and name  HB2 )) 3.06 1.26 1.26 peak 13781 weight  1.00000E+00 volume  6.98977E+05 ppm1      1.711 ppm2      2.386

ASSI {1151}   (( resid 124  and name  HB2 ))   (  resid 122  and name  HD# ) 4.345 2.544 2.544 peak 13803 weight  1.00000E+00 volume  8.27605E+04 ppm1      1.715 ppm2      6.589

ASSI {1152}   (( resid 122  and name  HB2 ))   (  resid 125  and name  HG# ) 3.172 1.472 4.712 peak 16540 weight  1.00000E+00 volume  4.82002E+05 ppm1      1.706 ppm2      2.385 !2

ASSI {1153}   (  resid 122  and name  HD# )   (  resid 96   and name  HG2#) 4.667 2.867 2.867 peak 18122 weight  1.00000E+00 volume  1.62385E+05 ppm1     -0.436 ppm2      6.566

ASSI {1154}   (  resid 96   and name  HG2#)   (  resid 122  and name  HE# ) 3.961 2.161 2.161 peak 18126 weight  1.00000E+00 volume  5.36037E+05 ppm1     -0.441 ppm2      7.350

ASSI {1155}   (  resid 122  and name  HD# )   (( resid 124  and name  HG2 )) 4.011 2.211 2.211 peak 19916 weight  1.00000E+00 volume  1.54627E+05 ppm1      2.566 ppm2      6.573

ASSI {1156}   (( resid 122  and name  HB1 ))   (  resid 124  and name  HE# ) 3.921 2.121 2.121 peak 20569 weight  1.00000E+00 volume  2.65397E+05 ppm1      2.795 ppm2      2.019

ASSI {1157}   (( resid 127  and name  HG11))   (( resid 122  and name  HB2 )) 3.275 1.575 3.665 peak 20573 weight  1.00000E+00 volume  3.68901E+05 ppm1      2.373 ppm2      0.844 !3

ASSI {1158}   (( resid 122  and name  HB1 ))   (  resid 127  and name  HG2#) 3.687 1.987 3.307 peak 20574 weight  1.00000E+00 volume  4.62110E+05 ppm1      2.783 ppm2      1.000 !2

ASSI {1159}   (( resid 127  and name  HG11))   (( resid 122  and name  HB1 )) 3.666 1.966 3.766 peak 20575 weight  1.00000E+00 volume  1.38275E+05 ppm1      2.795 ppm2      0.837 !3

ASSI {1160}   (( resid 122  and name  HB2 ))   (  resid 98   and name  HD1#) 3.857 2.058 2.058 peak 20577 weight  1.00000E+00 volume  2.94243E+05 ppm1      2.372 ppm2      0.295

ASSI {1161}   (( resid 122  and name  HB1 ))   (  resid 98   and name  HD1#) 4.015 2.215 2.215 peak 20578 weight  1.00000E+00 volume  2.22401E+05 ppm1      2.794 ppm2      0.308

ASSI {1162}   (( resid 122  and name  HB1 ))   (( resid 122  and name  HB2 )) 2.857 1.057 1.057 peak 20581 weight  1.00000E+00 volume  1.23499E+06 ppm1      2.370 ppm2      2.776

ASSI {1163}   (( resid 122  and name  HB2 ))   (  resid 122  and name  HD# ) 3.331 1.531 1.531 peak 20588 weight  1.00000E+00 volume  6.64353E+05 ppm1      2.368 ppm2      6.574

ASSI {1164}   (( resid 122  and name  HB2 ))   (  resid 122  and name  HE# ) 3.794 2.094 2.914 peak 20593 weight  1.00000E+00 volume  2.28753E+05 ppm1      2.361 ppm2      7.335 !1

ASSI {1165}   (( resid 122  and name  HB1 ))   (  resid 122  and name  HE# ) 3.797 1.997 1.997 peak 20594 weight  1.00000E+00 volume  2.29036E+05 ppm1      2.801 ppm2      7.340

ASSI {1166}   (  resid 127  and name  HD1#)   (( resid 122  and name  HB2 )) 3.965 2.165 2.165 peak 20915 weight  1.00000E+00 volume  2.68266E+05 ppm1      0.345 ppm2      2.381

ASSI {1167}   (( resid 98   and name  HB  ))   (( resid 122  and name  HZ  )) 3.333 1.633 3.323 peak 20987 weight  1.00000E+00 volume  3.15770E+05 ppm1      1.706 ppm2      7.158 !2

ASSI {1168}   (  resid 123  and name  HB# )   (( resid 125  and name  HB2 )) 3.116 1.416 5.016 peak 12679 weight  1.00000E+00 volume  5.78263E+05 ppm1      1.928 ppm2      3.448 !2

ASSI {1169}   (  resid 123  and name  HB# )   (( resid 125  and name  HB1 )) 3.202 1.502 3.761 peak 14380 weight  1.00000E+00 volume  4.82592E+05 ppm1      1.851 ppm2      3.445 !2

ASSI {1170}   (  resid 123  and name  HB# )   (( resid 124  and name  HG2 )) 3.53 1.73 1.73 peak 19910 weight  1.00000E+00 volume  2.06478E+05 ppm1      2.560 ppm2      3.453

ASSI {1171}   (  resid 124  and name  HE# )   (( resid 98   and name  HB  )) 2.68 0.88 0.88 peak 11689 weight  1.00000E+00 volume  7.23780E+06 ppm1      2.024 ppm2      1.689

ASSI {1172}   (  resid 124  and name  HE# )   (  resid 127  and name  HG2#) 3.142 1.342 1.342 peak 11690 weight  1.00000E+00 volume  5.45383E+06 ppm1      2.024 ppm2      1.010

ASSI {1173}   (  resid 127  and name  HD1#)   (  resid 124  and name  HE# ) 2.976 1.176 1.176 peak 11693 weight  1.00000E+00 volume  8.69960E+06 ppm1      2.025 ppm2      0.349

ASSI {1174}   (  resid 124  and name  HE# )   (  resid 98   and name  HD1#) 3.045 1.244 1.244 peak 11694 weight  1.00000E+00 volume  7.03085E+06 ppm1      2.025 ppm2      0.288

ASSI {1175}   (  resid 124  and name  HE# )   (( resid 124  and name  HG2 )) 2.667 0.8665 0.8665 peak 11703 weight  1.00000E+00 volume  7.61424E+06 ppm1      2.024 ppm2      2.547

ASSI {1176}   (( resid 124  and name  HB1 ))   (  resid 127  and name  HG2#) 3.361 1.561 1.561 peak 13785 weight  1.00000E+00 volume  1.00638E+06 ppm1      2.192 ppm2      1.010

ASSI {1177}   (( resid 124  and name  HB2 ))   (  resid 127  and name  HG2#) 3.281 1.581 2.181 peak 13786 weight  1.00000E+00 volume  1.15250E+06 ppm1      1.712 ppm2      0.996 !1

ASSI {1178}   (  resid 127  and name  HD1#)   (( resid 124  and name  HB2 )) 4.174 2.374 2.374 peak 13791 weight  1.00000E+00 volume  1.68471E+05 ppm1      1.715 ppm2      0.330

ASSI {1179}   (  resid 125  and name  HG# )   (( resid 124  and name  HG1 )) 3.106 1.406 3.216 peak 16541 weight  1.00000E+00 volume  5.89214E+05 ppm1      1.706 ppm2      2.614 !1

ASSI {1180}   (  resid 124  and name  HE# )   (( resid 127  and name  HB  )) 4.016 2.216 2.216 peak 17556 weight  1.00000E+00 volume  2.17173E+05 ppm1      1.498 ppm2      2.027

ASSI {1181}   (( resid 124  and name  HB1 ))   (  resid 98   and name  HD1#) 4.096 2.296 2.296 peak 17941 weight  1.00000E+00 volume  1.98756E+05 ppm1      0.301 ppm2      2.217

ASSI {1182}   (( resid 124  and name  HB1 ))   (( resid 168  and name  HB2 )) 2.933 1.233 4.403 peak 18316 weight  1.00000E+00 volume  9.20319E+05 ppm1      1.676 ppm2      2.185 !2

ASSI {1183}   (  resid 127  and name  HG2#)   (( resid 124  and name  HG2 )) 3.457 1.757 2.977 peak 19904 weight  1.00000E+00 volume  7.69241E+05 ppm1      2.552 ppm2      1.012 !1

ASSI {1184}   (( resid 127  and name  HG11))   (( resid 124  and name  HG2 )) 3.469 1.769 3.689 peak 19905 weight  1.00000E+00 volume  2.32797E+05 ppm1      2.565 ppm2      0.837 !2

ASSI {1185}   (  resid 127  and name  HD1#)   (( resid 124  and name  HG2 )) 3.969 2.169 2.169 peak 19909 weight  1.00000E+00 volume  2.34892E+05 ppm1      2.570 ppm2      0.341

ASSI {1186}   (  resid 124  and name  HE# )   (( resid 98   and name  HG12)) 2.88 1.18 1.939 peak 21315 weight  1.00000E+00 volume  3.83868E+06 ppm1      2.023 ppm2      1.361 !1

ASSI {1187}   (( resid 127  and name  HG11))   (( resid 124  and name  HB1 )) 3.713 2.013 2.603 peak 21941 weight  1.00000E+00 volume  1.45486E+05 ppm1      2.203 ppm2      0.832 !1

ASSI {1188}   (  resid 127  and name  HD1#)   (( resid 124  and name  HB1 )) 4.242 2.442 2.442 peak 21942 weight  1.00000E+00 volume  1.50556E+05 ppm1      2.202 ppm2      0.332

ASSI {1189}   (  resid 98   and name  HD1#)   (( resid 124  and name  HG2 )) 3.905 2.106 2.106 peak 23938 weight  1.00000E+00 volume  2.74947E+05 ppm1      2.561 ppm2      0.281

ASSI {1190}   (( resid 125  and name  HB1 ))   (  resid 125  and name  HD# ) 2.743 0.943 0.943 peak 14378 weight  1.00000E+00 volume  1.80923E+06 ppm1      1.844 ppm2      3.231

ASSI {1191}   (( resid 125  and name  HB2 ))   (  resid 125  and name  HD# ) 2.72 0.9205 0.9205 peak 14379 weight  1.00000E+00 volume  1.98763E+06 ppm1      1.923 ppm2      3.232

ASSI {1192}   (  resid 169  and name  HB# )   (  resid 125  and name  HD# ) 3.08 1.38 3.91 peak 16248 weight  1.00000E+00 volume  1.89487E+06 ppm1      3.236 ppm2      1.440 !3

ASSI {1193}   (( resid 125  and name  HB1 ))   (  resid 125  and name  HG# ) 2.215 0.4145 0.4145 peak 16529 weight  1.00000E+00 volume  1.34022E+07 ppm1      1.713 ppm2      1.855

ASSI {1194}   (  resid 170  and name  HG2#)   (  resid 125  and name  HG# ) 3.112 1.412 6.032 peak 16534 weight  1.00000E+00 volume  1.52960E+06 ppm1      1.703 ppm2      0.784 !3

ASSI {1195}   (  resid 126  and name  HG# )   (  resid 125  and name  HG# ) 2.753 1.053 1.563 peak 16539 weight  1.00000E+00 volume  1.68675E+06 ppm1      1.710 ppm2      2.208 !1

ASSI {1196}   (  resid 125  and name  HG# )   (  resid 125  and name  HD# ) 2.354 0.5545 0.5545 peak 16543 weight  1.00000E+00 volume  7.66015E+06 ppm1      1.706 ppm2      3.237

ASSI {1197}   (  resid 125  and name  HD# )   (( resid 126  and name  HB2 )) 3.787 1.986 1.986 peak 19559 weight  1.00000E+00 volume  1.18198E+05 ppm1      2.118 ppm2      3.249

ASSI {1198}   (  resid 170  and name  HG1#)   (( resid 126  and name  HB1 )) 3.929 2.229 3.63 peak 10849 weight  1.00000E+00 volume  2.65431E+05 ppm1      0.479 ppm2      1.980 !1

ASSI {1199}   (( resid 127  and name  HG11))   (( resid 126  and name  HB1 )) 2.921 1.221 4.602 peak 11404 weight  1.00000E+00 volume  1.00324E+06 ppm1      0.848 ppm2      1.997 !2

ASSI {1200}   (  resid 126  and name  HG# )   (( resid 168  and name  HB1 )) 3.037 1.337 3.096 peak 14180 weight  1.00000E+00 volume  6.90029E+05 ppm1      2.215 ppm2      1.235 !2

ASSI {1201}   (( resid 168  and name  HB1 ))   (( resid 126  and name  HB1 )) 3.117 1.417 2.017 peak 18314 weight  1.00000E+00 volume  5.59000E+05 ppm1      1.228 ppm2      1.996 !1

ASSI {1202}   (( resid 168  and name  HB2 ))   (( resid 126  and name  HB1 )) 2.765 0.965 0.965 peak 18317 weight  1.00000E+00 volume  1.59605E+06 ppm1      1.674 ppm2      1.990

ASSI {1203}   (( resid 168  and name  HD2 ))   (( resid 126  and name  HB1 )) 3.378 1.579 1.579 peak 20880 weight  1.00000E+00 volume  2.83348E+05 ppm1      3.715 ppm2      1.991

ASSI {1204}   (( resid 168  and name  HD1 ))   (( resid 126  and name  HB1 )) 3.266 1.566 2.826 peak 20881 weight  1.00000E+00 volume  3.71670E+05 ppm1      3.658 ppm2      1.990 !2

ASSI {1205}   (( resid 167  and name  HB1 ))   (( resid 126  and name  HB2 )) 3.641 1.941 3.481 peak 23071 weight  1.00000E+00 volume  1.67457E+05 ppm1      4.157 ppm2      2.133 !2

ASSI {1206}   (( resid 141  and name  HG1 ))   (( resid 126  and name  HB1 )) 3.056 1.356 6.926 peak 23281 weight  1.00000E+00 volume  6.65322E+05 ppm1      2.650 ppm2      1.976 !4

ASSI {1207}   (( resid 96   and name  HG11))   (  resid 127  and name  HG2#) 3.657 1.957 2.417 peak 10724 weight  1.00000E+00 volume  4.89895E+05 ppm1      1.002 ppm2      0.160 !1

ASSI {1208}   (  resid 127  and name  HD1#)   (  resid 127  and name  HG2#) 3.03 1.23 1.23 peak 10725 weight  1.00000E+00 volume  7.02075E+06 ppm1      1.007 ppm2      0.344

ASSI {1209}   (  resid 127  and name  HG2#)   (  resid 98   and name  HD1#) 3.131 1.431 1.981 peak 10726 weight  1.00000E+00 volume  5.21388E+06 ppm1      1.003 ppm2      0.307 !1

ASSI {1210}   (  resid 98   and name  HG2#)   (  resid 127  and name  HG2#) 3.235 1.435 1.435 peak 10727 weight  1.00000E+00 volume  3.92049E+06 ppm1      1.005 ppm2      0.422

ASSI {1211}   (  resid 170  and name  HG1#)   (  resid 127  and name  HG2#) 3.488 1.688 1.688 peak 10728 weight  1.00000E+00 volume  2.11109E+06 ppm1      1.009 ppm2      0.478

ASSI {1212}   (( resid 130  and name  HB1 ))   (  resid 127  and name  HG2#) 3.237 1.437 1.437 peak 10739 weight  1.00000E+00 volume  1.34949E+06 ppm1      1.006 ppm2      2.832

ASSI {1213}   (  resid 127  and name  HG2#)   (( resid 163  and name  HH2 )) 2.999 1.199 1.199 peak 10753 weight  1.00000E+00 volume  2.53313E+06 ppm1      1.010 ppm2      6.511

ASSI {1214}   (( resid 127  and name  HG11))   (( resid 127  and name  HG12)) 2.466 0.6665 0.6665 peak 11390 weight  1.00000E+00 volume  4.70856E+06 ppm1      1.289 ppm2      0.845

ASSI {1215}   (( resid 127  and name  HG12))   (  resid 127  and name  HD1#) 3.122 1.322 1.322 peak 11392 weight  1.00000E+00 volume  1.75148E+06 ppm1      1.283 ppm2      0.346

ASSI {1216}   (( resid 127  and name  HG11))   (  resid 98   and name  HD1#) 3.224 1.425 1.425 peak 11394 weight  1.00000E+00 volume  1.28349E+06 ppm1      0.841 ppm2      0.305

ASSI {1217}   (( resid 127  and name  HG11))   (  resid 98   and name  HG2#) 3.345 1.544 1.544 peak 11395 weight  1.00000E+00 volume  9.49312E+05 ppm1      0.844 ppm2      0.409

ASSI {1218}   (( resid 127  and name  HG12))   (  resid 98   and name  HG2#) 3.32 1.52 1.52 peak 11396 weight  1.00000E+00 volume  1.02608E+06 ppm1      1.288 ppm2      0.414

ASSI {1219}   (( resid 127  and name  HG12))   (  resid 98   and name  HD1#) 3.301 1.601 2.021 peak 11397 weight  1.00000E+00 volume  1.08871E+06 ppm1      1.286 ppm2      0.294 !1

ASSI {1220}   (( resid 127  and name  HG12))   (  resid 170  and name  HG1#) 3.6 1.8 1.8 peak 11398 weight  1.00000E+00 volume  5.33899E+05 ppm1      1.289 ppm2      0.482

ASSI {1221}   (( resid 127  and name  HG12))   (( resid 170  and name  HB  )) 2.657 0.957 2.827 peak 11400 weight  1.00000E+00 volume  2.33149E+06 ppm1      1.289 ppm2      1.618 !2

ASSI {1222}   (( resid 127  and name  HG12))   (( resid 163  and name  HH2 )) 3.062 1.362 2.753 peak 11411 weight  1.00000E+00 volume  6.77012E+05 ppm1      1.294 ppm2      6.508 !2

ASSI {1223}   (( resid 127  and name  HG12))   (( resid 96   and name  HG11)) 3.644 1.944 5.735 peak 11531 weight  1.00000E+00 volume  1.59514E+05 ppm1      1.301 ppm2      0.152 !3

ASSI {1224}   (( resid 171  and name  HG2 ))   (( resid 127  and name  HG12)) 3.182 1.482 5.162 peak 12428 weight  1.00000E+00 volume  4.55164E+05 ppm1      2.340 ppm2      1.283 !2

ASSI {1225}   (  resid 170  and name  HG1#)   (( resid 127  and name  HB  )) 3.913 2.113 2.113 peak 17552 weight  1.00000E+00 volume  2.70276E+05 ppm1      1.492 ppm2      0.490

ASSI {1226}   (  resid 127  and name  HD1#)   (( resid 127  and name  HB  )) 3.412 1.612 1.612 peak 17553 weight  1.00000E+00 volume  8.25344E+05 ppm1      1.491 ppm2      0.349

ASSI {1227}   (  resid 165  and name  HB# )   (  resid 127  and name  HG2#) 3.142 1.442 3.452 peak 18184 weight  1.00000E+00 volume  5.33852E+06 ppm1      1.009 ppm2      0.824 !2

ASSI {1228}   (  resid 127  and name  HG2#)   (  resid 139  and name  HE# ) 3.649 1.849 1.849 peak 18191 weight  1.00000E+00 volume  9.85829E+05 ppm1      1.012 ppm2      5.445

ASSI {1229}   (( resid 127  and name  HG11))   (( resid 168  and name  HB2 )) 3.309 1.609 3.549 peak 18312 weight  1.00000E+00 volume  3.25417E+05 ppm1      1.678 ppm2      0.855 !2

ASSI {1230}   (  resid 127  and name  HD1#)   (( resid 170  and name  HB  )) 3.572 1.872 2.522 peak 19258 weight  1.00000E+00 volume  5.55954E+05 ppm1      1.610 ppm2      0.328 !1

ASSI {1231}   (( resid 168  and name  HD1 ))   (  resid 127  and name  HG2#) 3.673 1.973 4.283 peak 20887 weight  1.00000E+00 volume  4.10444E+05 ppm1      3.647 ppm2      0.993 !2

ASSI {1232}   (  resid 127  and name  HD1#)   (  resid 96   and name  HG2#) 4.651 2.851 2.851 peak 20905 weight  1.00000E+00 volume  2.31082E+05 ppm1      0.346 ppm2     -0.457

ASSI {1233}   (  resid 127  and name  HD1#)   (( resid 168  and name  HG1 )) 3.042 1.342 2.012 peak 20908 weight  1.00000E+00 volume  2.24710E+06 ppm1      0.348 ppm2      1.664 !1
OR {1233}   (  resid 127  and name  HD1#)   (( resid 168  and name  HB2 ))

ASSI {1234}   (  resid 127  and name  HD1#)   (( resid 168  and name  HB1 )) 3.168 1.468 3.289 peak 20911 weight  1.00000E+00 volume  1.59987E+06 ppm1      0.347 ppm2      1.220 !2

ASSI {1235}   (  resid 127  and name  HD1#)   (  resid 139  and name  HE# ) 3.736 1.936 1.936 peak 20923 weight  1.00000E+00 volume  8.40423E+05 ppm1      0.346 ppm2      5.437

ASSI {1236}   (  resid 127  and name  HD1#)   (  resid 139  and name  HD# ) 3.795 2.095 2.544 peak 20924 weight  1.00000E+00 volume  7.36034E+05 ppm1      0.343 ppm2      6.175 !1

ASSI {1237}   (  resid 127  and name  HD1#)   (( resid 139  and name  HZ  )) 3.504 1.804 3.544 peak 20925 weight  1.00000E+00 volume  6.84824E+05 ppm1      0.349 ppm2      6.258 !1

ASSI {1238}   (  resid 127  and name  HD1#)   (( resid 163  and name  HH2 )) 3.886 2.186 2.956 peak 20926 weight  1.00000E+00 volume  3.09568E+05 ppm1      0.347 ppm2      6.507 !1

ASSI {1239}   (  resid 127  and name  HD1#)   (( resid 128  and name  HD2 )) 3.318 1.618 5.318 peak 20929 weight  1.00000E+00 volume  1.07849E+06 ppm1      0.345 ppm2      7.246 !3

ASSI {1240}   (  resid 127  and name  HG2#)   (( resid 98   and name  HB  )) 3.337 1.537 1.537 peak 20977 weight  1.00000E+00 volume  9.92838E+05 ppm1      1.690 ppm2      1.006

ASSI {1241}   (( resid 127  and name  HG11))   (  resid 127  and name  HD1#) 3.138 1.338 1.338 peak 21247 weight  1.00000E+00 volume  1.65819E+06 ppm1      0.838 ppm2      0.349

ASSI {1242}   (( resid 127  and name  HB  ))   (  resid 139  and name  HE# ) 4.123 2.423 3.263 peak 23169 weight  1.00000E+00 volume  1.21843E+05 ppm1      1.496 ppm2      5.434 !1

ASSI {1243}   (( resid 127  and name  HB  ))   (( resid 163  and name  HH2 )) 3.564 1.764 1.764 peak 23170 weight  1.00000E+00 volume  1.96641E+05 ppm1      1.488 ppm2      6.498

ASSI {1244}   (( resid 160  and name  HB2 ))   (( resid 128  and name  HD2 )) 3.364 1.664 3.184 peak 12755 weight  1.00000E+00 volume  3.06432E+05 ppm1      1.021 ppm2      7.258 !1

ASSI {1245}   (( resid 168  and name  HG1 ))   (( resid 128  and name  HB2 )) 3.452 1.752 3.032 peak 13209 weight  1.00000E+00 volume  2.69854E+05 ppm1      3.149 ppm2      1.647 !2

ASSI {1246}   (( resid 168  and name  HB1 ))   (( resid 128  and name  HB2 )) 3.564 1.764 1.764 peak 13212 weight  1.00000E+00 volume  1.89954E+05 ppm1      3.155 ppm2      1.229

ASSI {1247}   (( resid 160  and name  HG2 ))   (( resid 128  and name  HB1 )) 2.787 1.087 3.357 peak 13248 weight  1.00000E+00 volume  1.52799E+06 ppm1      1.739 ppm2      2.436 !3

ASSI {1248}   (( resid 160  and name  HG2 ))   (( resid 128  and name  HD2 )) 3.111 1.411 2.441 peak 13266 weight  1.00000E+00 volume  5.96626E+05 ppm1      1.750 ppm2      7.252 !1

ASSI {1249}   (( resid 168  and name  HB1 ))   (( resid 128  and name  HB1 )) 3.722 1.922 1.922 peak 18318 weight  1.00000E+00 volume  1.38467E+05 ppm1      1.217 ppm2      2.459

ASSI {1250}   (( resid 160  and name  HD1 ))   (( resid 128  and name  HB1 )) 3.832 2.032 2.032 peak 18490 weight  1.00000E+00 volume  1.08285E+05 ppm1      3.417 ppm2      2.446

ASSI {1251}   (( resid 168  and name  HB1 ))   (( resid 128  and name  HD2 )) 3.434 1.634 1.634 peak 23444 weight  1.00000E+00 volume  2.62398E+05 ppm1      1.212 ppm2      7.242

ASSI {1252}   (( resid 129  and name  HB1 ))   (( resid 129  and name  HB2 )) 3.096 1.296 1.296 peak 11504 weight  1.00000E+00 volume  6.21613E+05 ppm1      4.505 ppm2      4.291

ASSI {1253}   (( resid 160  and name  HD1 ))   (( resid 129  and name  HB1 )) 3.288 1.588 4.249 peak 11518 weight  1.00000E+00 volume  3.73720E+05 ppm1      4.504 ppm2      3.415 !4

ASSI {1254}   (( resid 160  and name  HD1 ))   (( resid 129  and name  HB2 )) 3.309 1.609 3.58 peak 11520 weight  1.00000E+00 volume  3.47171E+05 ppm1      4.295 ppm2      3.415 !2

ASSI {1255}   (( resid 158  and name  HB2 ))   (( resid 129  and name  HB1 )) 3.904 2.204 2.664 peak 11527 weight  1.00000E+00 volume  8.89220E+04 ppm1      4.507 ppm2      1.967 !1

ASSI {1256}   (( resid 160  and name  HD2 ))   (( resid 129  and name  HB2 )) 3.716 2.016 4.077 peak 18509 weight  1.00000E+00 volume  1.32103E+05 ppm1      4.095 ppm2      4.285 !2

ASSI {1257}   (  resid 170  and name  HG1#)   (( resid 130  and name  HB2 )) 3.24 1.54 4.441 peak 10854 weight  1.00000E+00 volume  1.30871E+06 ppm1      0.475 ppm2      3.031 !4

ASSI {1258}   (( resid 130  and name  HB1 ))   (( resid 130  and name  HB2 )) 2.475 0.675 0.675 peak 13293 weight  1.00000E+00 volume  4.70272E+06 ppm1      3.046 ppm2      2.820

ASSI {1259}   (( resid 130  and name  HB2 ))   (( resid 98   and name  HG12)) 3.457 1.657 1.657 peak 13301 weight  1.00000E+00 volume  2.54207E+05 ppm1      3.054 ppm2      1.366

ASSI {1260}   (( resid 130  and name  HB2 ))   (  resid 98   and name  HG2#) 3.321 1.521 1.521 peak 13305 weight  1.00000E+00 volume  1.06579E+06 ppm1      3.046 ppm2      0.405

ASSI {1261}   (( resid 96   and name  HG11))   (( resid 130  and name  HB2 )) 3.402 1.603 1.603 peak 13306 weight  1.00000E+00 volume  2.88837E+05 ppm1      3.046 ppm2      0.162

ASSI {1262}   (( resid 130  and name  HB1 ))   (( resid 98   and name  HG12)) 3.708 1.909 1.909 peak 19735 weight  1.00000E+00 volume  1.41046E+05 ppm1      2.812 ppm2      1.367

ASSI {1263}   (( resid 96   and name  HG11))   (( resid 130  and name  HB1 )) 3.886 2.086 2.086 peak 19740 weight  1.00000E+00 volume  9.72380E+04 ppm1      2.822 ppm2      0.169

ASSI {1264}   (( resid 130  and name  HB1 ))   (( resid 139  and name  HZ  )) 3.292 1.492 1.492 peak 19751 weight  1.00000E+00 volume  3.89668E+05 ppm1      2.814 ppm2      6.254

ASSI {1265}   (( resid 130  and name  HB1 ))   (( resid 137  and name  HD1 )) 3.63 1.93 4.3 peak 19753 weight  1.00000E+00 volume  1.50720E+05 ppm1      2.816 ppm2      6.914 !2
OR {1265}   (( resid 130  and name  HB1 ))   (( resid 137  and name  HH2 ))

ASSI {1266}   (( resid 130  and name  HB1 ))   (  resid 98   and name  HG2#) 3.397 1.597 1.597 peak 20380 weight  1.00000E+00 volume  9.14255E+05 ppm1      0.413 ppm2      2.817

ASSI {1267}   (  resid 131  and name  HE# )   (( resid 97   and name  HG1 )) 3.36 1.66 3.33 peak 14960 weight  1.00000E+00 volume  3.09121E+05 ppm1      3.049 ppm2      2.212 !2

ASSI {1268}   (  resid 131  and name  HE# )   (( resid 97   and name  HG2 )) 3.385 1.685 2.625 peak 14961 weight  1.00000E+00 volume  2.87986E+05 ppm1      3.050 ppm2      2.155 !2

ASSI {1269}   (( resid 131  and name  HB1 ))   (  resid 131  and name  HE# ) 2.378 0.678 1.168 peak 14965 weight  1.00000E+00 volume  6.89110E+06 ppm1      3.049 ppm2      1.689 !1
OR {1269}   (  resid 131  and name  HE# )   (  resid 131  and name  HD# )

ASSI {1270}   (( resid 95   and name  HB1 ))   (( resid 131  and name  HB1 )) 2.697 0.997 6.357 peak 15335 weight  1.00000E+00 volume  1.90326E+06 ppm1      1.560 ppm2      1.689 !1

ASSI {1271}   (( resid 131  and name  HB2 ))   (  resid 95   and name  HG# ) 3.272 1.572 3.922 peak 16186 weight  1.00000E+00 volume  3.58281E+05 ppm1      1.264 ppm2      1.863 !2

ASSI {1272}   (( resid 131  and name  HB2 ))   (( resid 156  and name  HG1 )) 2.551 0.851 3.931 peak 18644 weight  1.00000E+00 volume  3.35382E+06 ppm1      2.441 ppm2      1.860 !4

ASSI {1273}   (  resid 131  and name  HG# )   (( resid 156  and name  HG2 )) 3.263 1.463 1.463 peak 18858 weight  1.00000E+00 volume  3.75919E+05 ppm1      1.536 ppm2      2.051

ASSI {1274}   (( resid 95   and name  HD2 ))   (  resid 133  and name  HD# ) 2.922 1.222 4.582 peak 12528 weight  1.00000E+00 volume  2.83347E+06 ppm1      1.529 ppm2      0.749 !5

ASSI {1275}   (( resid 133  and name  HB1 ))   (( resid 133  and name  HB2 )) 2.635 0.835 0.835 peak 14199 weight  1.00000E+00 volume  2.52909E+06 ppm1      1.714 ppm2      1.338

ASSI {1276}   (  resid 133  and name  HD# )   (  resid 156  and name  HB# ) 4.214 2.414 2.414 peak 14710 weight  1.00000E+00 volume  1.62804E+05 ppm1      1.921 ppm2      0.732

ASSI {1277}   (  resid 133  and name  HD# )   (( resid 95   and name  HB2 )) 3.762 2.062 3.972 peak 15339 weight  1.00000E+00 volume  3.47792E+05 ppm1      2.075 ppm2      0.751 !3

ASSI {1278}   (  resid 133  and name  HD# )   (( resid 95   and name  HB1 )) 3.67 1.97 2.399 peak 15340 weight  1.00000E+00 volume  4.03529E+05 ppm1      1.556 ppm2      0.744 !1

ASSI {1279}   (  resid 133  and name  HD# )   (( resid 156  and name  HG2 )) 2.917 1.217 2.797 peak 18665 weight  1.00000E+00 volume  3.27515E+06 ppm1      0.751 ppm2      2.045 !2

ASSI {1280}   (( resid 133  and name  HB1 ))   (( resid 137  and name  HE3 )) 3.648 1.948 3.388 peak 19859 weight  1.00000E+00 volume  1.53457E+05 ppm1      1.718 ppm2      7.325 !2
OR {1280}   (( resid 133  and name  HB1 ))   (( resid 137  and name  HZ3 ))

ASSI {1281}   (( resid 133  and name  HB2 ))   (( resid 133  and name  HG  )) 2.607 0.8065 0.8065 peak 20971 weight  1.00000E+00 volume  2.69711E+06 ppm1      1.531 ppm2      1.340

ASSI {1282}   (  resid 133  and name  HD# )   (( resid 133  and name  HG  )) 2.744 0.9445 0.9445 peak 20972 weight  1.00000E+00 volume  5.36063E+06 ppm1      1.523 ppm2      0.743

ASSI {1283}   (  resid 133  and name  HD# )   (( resid 133  and name  HB2 )) 2.706 0.906 0.906 peak 23549 weight  1.00000E+00 volume  6.39926E+06 ppm1      0.751 ppm2      1.321

ASSI {1284}   (( resid 134  and name  HB2 ))   (( resid 134  and name  HG2 )) 2.566 0.7655 0.7655 peak 12869 weight  1.00000E+00 volume  3.20081E+06 ppm1      1.596 ppm2      2.138

ASSI {1285}   (( resid 134  and name  HB2 ))   (( resid 95   and name  HE2 )) 3.517 1.817 6.357 peak 12874 weight  1.00000E+00 volume  2.09808E+05 ppm1      1.600 ppm2      2.864 !2

ASSI {1286}   (( resid 89   and name  HD1 ))   (( resid 134  and name  HB2 )) 3.361 1.661 3.811 peak 12879 weight  1.00000E+00 volume  3.07101E+05 ppm1      1.602 ppm2      3.595 !3

ASSI {1287}   (( resid 134  and name  HG1 ))   (( resid 134  and name  HG2 )) 2.091 0.291 0.291 peak 14652 weight  1.00000E+00 volume  2.35708E+07 ppm1      2.146 ppm2      2.173

ASSI {1288}   (( resid 134  and name  HG1 ))   (( resid 93   and name  HB1 )) 2.622 0.922 5.202 peak 14655 weight  1.00000E+00 volume  2.51450E+06 ppm1      2.178 ppm2      1.949 !3

ASSI {1289}   (( resid 134  and name  HG2 ))   (( resid 93   and name  HB1 )) 2.595 0.895 4.005 peak 14656 weight  1.00000E+00 volume  2.70214E+06 ppm1      2.147 ppm2      1.947 !2

ASSI {1290}   (( resid 95   and name  HB1 ))   (( resid 134  and name  HG1 )) 2.712 1.012 3.441 peak 14657 weight  1.00000E+00 volume  1.84919E+06 ppm1      2.180 ppm2      1.564 !2

ASSI {1291}   (( resid 95   and name  HB1 ))   (( resid 134  and name  HG2 )) 2.597 0.897 1.947 peak 14658 weight  1.00000E+00 volume  2.78639E+06 ppm1      2.147 ppm2      1.564 !1

ASSI {1292}   (( resid 134  and name  HG1 ))   (  resid 95   and name  HG# ) 3.054 1.354 3.914 peak 14659 weight  1.00000E+00 volume  6.54157E+05 ppm1      2.179 ppm2      1.285 !2

ASSI {1293}   (( resid 134  and name  HG2 ))   (  resid 95   and name  HG# ) 2.99 1.29 2.931 peak 14660 weight  1.00000E+00 volume  7.90131E+05 ppm1      2.146 ppm2      1.288 !1

ASSI {1294}   (( resid 134  and name  HB1 ))   (  resid 136  and name  HG1#) 4.107 2.407 2.937 peak 16393 weight  1.00000E+00 volume  1.83621E+05 ppm1      1.910 ppm2      0.978 !1

ASSI {1295}   (( resid 134  and name  HB1 ))   (( resid 94   and name  HB1 )) 3.452 1.752 3.192 peak 23193 weight  1.00000E+00 volume  2.27861E+05 ppm1      2.770 ppm2      1.879 !2

ASSI {1296}   (( resid 88   and name  HB2 ))   (( resid 135  and name  HA1 )) 3.873 2.173 3.634 peak 10665 weight  1.00000E+00 volume  1.03112E+05 ppm1      1.469 ppm2      3.254 !2

ASSI {1297}   (( resid 88   and name  HB1 ))   (( resid 135  and name  HA1 )) 3.771 2.071 4.121 peak 10666 weight  1.00000E+00 volume  1.53968E+05 ppm1      1.593 ppm2      3.256 !2

ASSI {1298}   (( resid 135  and name  HA1 ))   (( resid 89   and name  HB1 )) 3.361 1.561 1.561 peak 14900 weight  1.00000E+00 volume  2.97384E+05 ppm1      2.016 ppm2      3.246

ASSI {1299}   (  resid 136  and name  HG2#)   (( resid 135  and name  HA2 )) 3.316 1.516 1.516 peak 16468 weight  1.00000E+00 volume  1.04096E+06 ppm1      3.869 ppm2      0.914

ASSI {1300}   (( resid 89   and name  HD2 ))   (( resid 135  and name  HA1 )) 3.44 1.74 2.42 peak 19864 weight  1.00000E+00 volume  2.32339E+05 ppm1      3.676 ppm2      3.253 !1

ASSI {1301}   (  resid 90   and name  HB# )   (( resid 135  and name  HA1 )) 2.939 1.239 3.359 peak 20056 weight  1.00000E+00 volume  1.01122E+06 ppm1      3.237 ppm2      3.859 !1

ASSI {1302}   (( resid 61   and name  HG12))   (  resid 136  and name  HG1#) 3.016 1.216 1.216 peak 11751 weight  1.00000E+00 volume  2.26458E+06 ppm1      1.521 ppm2      0.991

ASSI {1303}   (( resid 151  and name  HB1 ))   (  resid 136  and name  HG1#) 3.757 2.057 3.737 peak 12314 weight  1.00000E+00 volume  4.32161E+05 ppm1      1.178 ppm2      0.964 !2

ASSI {1304}   (  resid 6    and name  HG2#)   (  resid 136  and name  HG1#) 2.205 0.505 5.695 peak 13856 weight  1.00000E+00 volume  1.46601E+08 ppm1      0.993 ppm2      0.990 !3

ASSI {1305}   (  resid 136  and name  HG1#)   (( resid 89   and name  HB2 )) 3.972 2.272 2.982 peak 14894 weight  1.00000E+00 volume  2.40071E+05 ppm1      2.264 ppm2      0.984 !1

ASSI {1306}   (  resid 136  and name  HG2#)   (( resid 89   and name  HB2 )) 3.949 2.149 2.149 peak 14895 weight  1.00000E+00 volume  2.54757E+05 ppm1      2.267 ppm2      0.918

ASSI {1307}   (( resid 136  and name  HB  ))   (( resid 176  and name  HB  )) 2.76 1.06 1.47 peak 16810 weight  1.00000E+00 volume  1.64746E+06 ppm1      1.805 ppm2      1.616 !1

ASSI {1308}   (( resid 136  and name  HB  ))   (  resid 136  and name  HG1#) 2.816 1.016 1.016 peak 16811 weight  1.00000E+00 volume  4.35361E+06 ppm1      1.802 ppm2      0.978

ASSI {1309}   (( resid 61   and name  HB  ))   (  resid 136  and name  HG1#) 3.792 2.092 3.051 peak 19499 weight  1.00000E+00 volume  3.65578E+05 ppm1      2.059 ppm2      0.974 !1

ASSI {1310}   (  resid 138  and name  HG2#)   (  resid 136  and name  HG1#) 4.034 2.234 2.234 peak 19698 weight  1.00000E+00 volume  6.77258E+05 ppm1      0.322 ppm2      0.978

ASSI {1311}   (( resid 89   and name  HD2 ))   (  resid 136  and name  HG1#) 3.213 1.513 2.473 peak 19884 weight  1.00000E+00 volume  1.29633E+06 ppm1      3.667 ppm2      0.979 !2

ASSI {1312}   (( resid 89   and name  HD1 ))   (  resid 136  and name  HG1#) 3.179 1.379 1.379 peak 19885 weight  1.00000E+00 volume  1.46404E+06 ppm1      3.617 ppm2      0.975

ASSI {1313}   (( resid 46   and name  HB  ))   (( resid 136  and name  HB  )) 3.434 1.734 3.724 peak 22902 weight  1.00000E+00 volume  2.47433E+05 ppm1      1.804 ppm2      3.636 !3

ASSI {1314}   (( resid 96   and name  HG12))   (( resid 137  and name  HD1 )) 3.838 2.138 2.828 peak 11295 weight  1.00000E+00 volume  1.02742E+05 ppm1      0.915 ppm2      6.902 !1
OR {1314}   (( resid 96   and name  HG12))   (( resid 137  and name  HH2 ))

ASSI {1315}   (( resid 137  and name  HZ3 ))   (  resid 175  and name  HD# ) 3.611 1.911 3.831 peak 11846 weight  1.00000E+00 volume  1.72416E+05 ppm1      2.799 ppm2      7.308 !3

ASSI {1316}   (( resid 137  and name  HB1 ))   (( resid 137  and name  HB2 )) 2.763 0.963 0.963 peak 12119 weight  1.00000E+00 volume  1.65988E+06 ppm1      3.057 ppm2      2.590

ASSI {1317}   (( resid 137  and name  HB2 ))   (( resid 176  and name  HG11)) 3.179 1.479 2.45 peak 12124 weight  1.00000E+00 volume  4.82560E+05 ppm1      2.590 ppm2      0.879 !1

ASSI {1318}   (( resid 137  and name  HB1 ))   (( resid 173  and name  HB1 )) 3.687 1.987 4.237 peak 12136 weight  1.00000E+00 volume  1.58973E+05 ppm1      3.066 ppm2      3.516 !2

ASSI {1319}   (( resid 137  and name  HB1 ))   (( resid 137  and name  HD1 )) 3.423 1.623 1.623 peak 12146 weight  1.00000E+00 volume  2.66697E+05 ppm1      3.063 ppm2      6.908
OR {1319}   (( resid 137  and name  HB1 ))   (( resid 137  and name  HH2 ))

ASSI {1320}   (( resid 137  and name  HE3 ))   (( resid 137  and name  HB1 )) 3.138 1.338 1.338 peak 12148 weight  1.00000E+00 volume  5.57701E+05 ppm1      3.065 ppm2      7.327
OR {1320}   (( resid 137  and name  HZ3 ))   (( resid 137  and name  HB1 ))

ASSI {1321}   (( resid 137  and name  HZ3 ))   (( resid 137  and name  HB2 )) 3.234 1.534 1.963 peak 12149 weight  1.00000E+00 volume  4.30103E+05 ppm1      2.603 ppm2      7.318 !1

ASSI {1322}   (( resid 95   and name  HB2 ))   (( resid 137  and name  HH2 )) 3.546 1.846 3.176 peak 15378 weight  1.00000E+00 volume  1.87989E+05 ppm1      2.074 ppm2      6.911 !2

ASSI {1323}   (( resid 94   and name  HB1 ))   (( resid 137  and name  HZ2 )) 3.21 1.51 4.769 peak 17646 weight  1.00000E+00 volume  4.46859E+05 ppm1      2.758 ppm2      7.078 !3

ASSI {1324}   (( resid 137  and name  HB1 ))   (  resid 96   and name  HG2#) 3.924 2.224 3.724 peak 18112 weight  1.00000E+00 volume  2.82603E+05 ppm1     -0.441 ppm2      3.068 !2

ASSI {1325}   (( resid 89   and name  HD2 ))   (( resid 137  and name  HB2 )) 3.712 2.012 4.622 peak 19868 weight  1.00000E+00 volume  1.35402E+05 ppm1      3.683 ppm2      2.605 !2

ASSI {1326}   (( resid 137  and name  HB2 ))   (  resid 139  and name  HD# ) 4.221 2.421 2.421 peak 21437 weight  1.00000E+00 volume  1.06941E+05 ppm1      2.589 ppm2      6.167

ASSI {1327}   (( resid 89   and name  HG1 ))   (( resid 137  and name  HE3 )) 3.312 1.612 2.222 peak 23118 weight  1.00000E+00 volume  3.34839E+05 ppm1      1.917 ppm2      7.329 !1

ASSI {1328}   (( resid 163  and name  HB2 ))   (( resid 137  and name  HD1 )) 3.637 1.937 3.807 peak 23139 weight  1.00000E+00 volume  1.57536E+05 ppm1      3.289 ppm2      6.921 !2

ASSI {1329}   (( resid 163  and name  HB1 ))   (( resid 137  and name  HD1 )) 3.538 1.838 5.078 peak 23140 weight  1.00000E+00 volume  1.97939E+05 ppm1      2.497 ppm2      6.928 !3

ASSI {1330}   (( resid 138  and name  HG11))   (  resid 138  and name  HG2#) 3.333 1.534 1.534 peak 10532 weight  1.00000E+00 volume  1.01099E+06 ppm1      1.488 ppm2      0.316

ASSI {1331}   (( resid 138  and name  HG12))   (  resid 138  and name  HG2#) 3.682 1.882 1.882 peak 10533 weight  1.00000E+00 volume  4.46774E+05 ppm1      0.664 ppm2      0.338

ASSI {1332}   (( resid 138  and name  HG11))   (( resid 138  and name  HG12)) 2.851 1.051 1.051 peak 10540 weight  1.00000E+00 volume  1.23894E+06 ppm1      0.658 ppm2      1.482

ASSI {1333}   (( resid 61   and name  HG12))   (( resid 138  and name  HG12)) 2.866 1.066 1.066 peak 10541 weight  1.00000E+00 volume  1.19255E+06 ppm1      0.657 ppm2      1.521

ASSI {1334}   (( resid 138  and name  HG12))   (( resid 176  and name  HG12)) 3.168 1.369 1.369 peak 10542 weight  1.00000E+00 volume  4.88395E+05 ppm1      0.656 ppm2      1.385

ASSI {1335}   (( resid 138  and name  HG12))   (( resid 61   and name  HB  )) 3.606 1.806 1.806 peak 10546 weight  1.00000E+00 volume  1.80501E+05 ppm1      0.664 ppm2      2.053

ASSI {1336}   (  resid 138  and name  HG2#)   (  resid 151  and name  HD# ) 4.311 2.511 2.511 peak 10559 weight  1.00000E+00 volume  3.67366E+05 ppm1      0.760 ppm2      0.314

ASSI {1337}   (  resid 138  and name  HG2#)   (( resid 176  and name  HG11)) 3.73 2.03 3.01 peak 11552 weight  1.00000E+00 volume  3.83391E+05 ppm1      0.892 ppm2      0.326 !1

ASSI {1338}   (( resid 61   and name  HG11))   (  resid 138  and name  HG2#) 3.844 2.144 2.694 peak 11757 weight  1.00000E+00 volume  3.20527E+05 ppm1      1.172 ppm2      0.331 !1

ASSI {1339}   (  resid 138  and name  HG2#)   (( resid 149  and name  HB2 )) 3.535 1.835 2.755 peak 11926 weight  1.00000E+00 volume  6.04755E+05 ppm1      1.548 ppm2      0.324 !1

ASSI {1340}   (( resid 149  and name  HG2 ))   (  resid 138  and name  HG2#) 4.184 2.384 2.384 peak 12107 weight  1.00000E+00 volume  1.60589E+05 ppm1      2.494 ppm2      0.316

ASSI {1341}   (  resid 138  and name  HG2#)   (  resid 176  and name  HG2#) 4.046 2.246 2.246 peak 12404 weight  1.00000E+00 volume  6.67639E+05 ppm1      0.760 ppm2      0.323

ASSI {1342}   (  resid 138  and name  HG2#)   (( resid 174  and name  HG1 )) 3.966 2.166 2.166 peak 14493 weight  1.00000E+00 volume  2.40968E+05 ppm1      1.545 ppm2      0.322

ASSI {1343}   (  resid 61   and name  HD1#)   (  resid 138  and name  HG2#) 3.748 1.948 1.948 peak 14735 weight  1.00000E+00 volume  1.21539E+06 ppm1      0.665 ppm2      0.317

ASSI {1344}   (  resid 138  and name  HG2#)   (( resid 174  and name  HB2 )) 4.531 2.731 2.731 peak 15397 weight  1.00000E+00 volume  9.16682E+04 ppm1      1.663 ppm2      0.325

ASSI {1345}   (  resid 138  and name  HG2#)   (( resid 174  and name  HB1 )) 4.454 2.654 2.654 peak 15398 weight  1.00000E+00 volume  1.07707E+05 ppm1      1.723 ppm2      0.323

ASSI {1346}   (  resid 138  and name  HG2#)   (( resid 139  and name  HB1 )) 4.295 2.495 2.495 peak 15807 weight  1.00000E+00 volume  1.38140E+05 ppm1      3.056 ppm2      0.324

ASSI {1347}   (  resid 138  and name  HG2#)   (  resid 61   and name  HG2#) 3.798 1.998 1.998 peak 15976 weight  1.00000E+00 volume  1.09949E+06 ppm1      0.677 ppm2      0.317

ASSI {1348}   (  resid 138  and name  HG2#)   (( resid 174  and name  HD1 )) 4.397 2.597 2.597 peak 16574 weight  1.00000E+00 volume  1.12190E+05 ppm1      2.157 ppm2      0.320

ASSI {1349}   (  resid 176  and name  HD1#)   (  resid 138  and name  HG2#) 3.788 1.989 1.989 peak 17434 weight  1.00000E+00 volume  1.07308E+06 ppm1      0.659 ppm2      0.318

ASSI {1350}   (  resid 138  and name  HG2#)   (( resid 145  and name  HB2 )) 4.489 2.688 2.688 peak 18631 weight  1.00000E+00 volume  9.68311E+04 ppm1      1.880 ppm2      0.316

ASSI {1351}   (  resid 138  and name  HG2#)   (( resid 176  and name  HG12)) 3.466 1.666 1.666 peak 19700 weight  1.00000E+00 volume  7.39637E+05 ppm1      0.327 ppm2      1.381

ASSI {1352}   (  resid 138  and name  HG2#)   (( resid 149  and name  HB1 )) 3.283 1.483 1.483 peak 19702 weight  1.00000E+00 volume  1.18657E+06 ppm1      0.323 ppm2      1.744

ASSI {1353}   (( resid 61   and name  HB  ))   (  resid 138  and name  HG2#) 3.582 1.782 1.782 peak 19704 weight  1.00000E+00 volume  6.06781E+05 ppm1      0.324 ppm2      2.049

ASSI {1354}   (( resid 149  and name  HG1 ))   (  resid 138  and name  HG2#) 3.575 1.776 1.776 peak 19705 weight  1.00000E+00 volume  5.90740E+05 ppm1      0.322 ppm2      2.321

ASSI {1355}   (( resid 147  and name  HA2 ))   (  resid 138  and name  HG2#) 4.245 2.545 4.115 peak 19712 weight  1.00000E+00 volume  1.58161E+05 ppm1      0.331 ppm2      4.311 !2

ASSI {1356}   (  resid 138  and name  HG2#)   (  resid 140  and name  HE# ) 3.58 1.78 1.78 peak 19721 weight  1.00000E+00 volume  1.17454E+06 ppm1      0.323 ppm2      6.657

ASSI {1357}   (  resid 138  and name  HG2#)   (  resid 140  and name  HD# ) 4.165 2.365 2.365 peak 19722 weight  1.00000E+00 volume  3.59311E+05 ppm1      0.321 ppm2      7.120

ASSI {1358}   (  resid 61   and name  HG2#)   (  resid 138  and name  HD1#) 2.777 0.977 0.977 peak 20722 weight  1.00000E+00 volume  1.50421E+07 ppm1      0.785 ppm2      0.684

ASSI {1359}   (  resid 138  and name  HG2#)   (  resid 138  and name  HD1#) 3.163 1.363 1.363 peak 20724 weight  1.00000E+00 volume  4.88488E+06 ppm1      0.786 ppm2      0.324

ASSI {1360}   (( resid 61   and name  HB  ))   (  resid 138  and name  HD1#) 3.08 1.28 1.28 peak 20732 weight  1.00000E+00 volume  2.08076E+06 ppm1      0.786 ppm2      2.042

ASSI {1361}   (( resid 174  and name  HB2 ))   (  resid 138  and name  HD1#) 3.211 1.511 2.741 peak 20733 weight  1.00000E+00 volume  1.33931E+06 ppm1      0.783 ppm2      1.656 !2

ASSI {1362}   (( resid 174  and name  HD1 ))   (  resid 138  and name  HD1#) 3.564 1.864 2.454 peak 20734 weight  1.00000E+00 volume  5.75661E+05 ppm1      0.788 ppm2      2.145 !1

ASSI {1363}   (( resid 60   and name  HB1 ))   (  resid 138  and name  HD1#) 3.706 2.006 3.876 peak 20735 weight  1.00000E+00 volume  4.37871E+05 ppm1      0.783 ppm2      2.355 !2

ASSI {1364}   (  resid 138  and name  HG2#)   (  resid 139  and name  HD# ) 4.461 2.661 2.661 peak 23871 weight  1.00000E+00 volume  2.03390E+05 ppm1      0.327 ppm2      6.169

ASSI {1365}   (  resid 170  and name  HG1#)   (( resid 139  and name  HB2 )) 3.24 1.54 2.14 peak 10853 weight  1.00000E+00 volume  1.32144E+06 ppm1      0.471 ppm2      2.963 !1

ASSI {1366}   (( resid 149  and name  HB1 ))   (( resid 139  and name  HB2 )) 3.31 1.61 3.18 peak 11932 weight  1.00000E+00 volume  3.44550E+05 ppm1      1.758 ppm2      2.984 !2

ASSI {1367}   (  resid 170  and name  HG1#)   (( resid 139  and name  HB1 )) 3.847 2.047 2.047 peak 15805 weight  1.00000E+00 volume  3.13639E+05 ppm1      3.050 ppm2      0.476

ASSI {1368}   (( resid 139  and name  HB1 ))   (( resid 150  and name  HB2 )) 3.466 1.666 1.666 peak 15813 weight  1.00000E+00 volume  2.35204E+05 ppm1      3.057 ppm2      3.568

ASSI {1369}   (( resid 139  and name  HB2 ))   (( resid 173  and name  HB1 )) 3.447 1.747 2.167 peak 15814 weight  1.00000E+00 volume  2.69883E+05 ppm1      2.966 ppm2      3.516 !1

ASSI {1370}   (( resid 139  and name  HB2 ))   (  resid 139  and name  HE# ) 3.724 1.924 1.924 peak 15816 weight  1.00000E+00 volume  2.77827E+05 ppm1      2.968 ppm2      5.455

ASSI {1371}   (( resid 139  and name  HB1 ))   (  resid 139  and name  HE# ) 3.781 1.981 1.981 peak 15818 weight  1.00000E+00 volume  2.26375E+05 ppm1      3.050 ppm2      5.451

ASSI {1372}   (( resid 139  and name  HB1 ))   (  resid 139  and name  HD# ) 3.545 1.745 1.745 peak 15819 weight  1.00000E+00 volume  4.13868E+05 ppm1      3.054 ppm2      6.174

ASSI {1373}   (( resid 163  and name  HB1 ))   (  resid 139  and name  HD# ) 3.939 2.139 2.139 peak 17478 weight  1.00000E+00 volume  1.71274E+05 ppm1      2.503 ppm2      6.183

ASSI {1374}   (  resid 98   and name  HD1#)   (( resid 139  and name  HZ  )) 4.285 2.485 2.485 peak 17954 weight  1.00000E+00 volume  1.44697E+05 ppm1      0.302 ppm2      6.248

ASSI {1375}   (  resid 165  and name  HB# )   (( resid 139  and name  HB1 )) 4.049 2.349 2.999 peak 19819 weight  1.00000E+00 volume  2.03162E+05 ppm1      0.817 ppm2      3.057 !1

ASSI {1376}   (( resid 139  and name  HB2 ))   (( resid 150  and name  HB1 )) 3.091 1.391 2.441 peak 20140 weight  1.00000E+00 volume  5.89989E+05 ppm1      2.527 ppm2      2.972 !2

ASSI {1377}   (( resid 139  and name  HB2 ))   (( resid 150  and name  HB2 )) 3.338 1.538 1.538 peak 20142 weight  1.00000E+00 volume  2.81025E+05 ppm1      3.578 ppm2      2.960

ASSI {1378}   (  resid 98   and name  HG2#)   (( resid 139  and name  HZ  )) 3.207 1.407 1.407 peak 20393 weight  1.00000E+00 volume  1.46648E+06 ppm1      0.412 ppm2      6.244

ASSI {1379}   (( resid 139  and name  HB2 ))   (  resid 151  and name  HD# ) 4.097 2.397 3.547 peak 21017 weight  1.00000E+00 volume  1.94202E+05 ppm1      0.764 ppm2      2.979 !2

ASSI {1380}   (( resid 174  and name  HB2 ))   (  resid 139  and name  HE# ) 4.231 2.531 5.281 peak 22502 weight  1.00000E+00 volume  9.49335E+04 ppm1      1.667 ppm2      5.437 !2

ASSI {1381}   (( resid 170  and name  HB  ))   (  resid 139  and name  HD# ) 4.235 2.435 2.435 peak 23720 weight  1.00000E+00 volume  9.53588E+04 ppm1      1.612 ppm2      6.170

ASSI {1382}   (( resid 149  and name  HB2 ))   (  resid 140  and name  HE# ) 3.856 2.056 2.056 peak 11944 weight  1.00000E+00 volume  2.01846E+05 ppm1      1.549 ppm2      6.645

ASSI {1383}   (( resid 149  and name  HG1 ))   (  resid 140  and name  HE# ) 3.768 1.967 1.967 peak 12112 weight  1.00000E+00 volume  2.40511E+05 ppm1      2.318 ppm2      6.638

ASSI {1384}   (( resid 149  and name  HG2 ))   (  resid 140  and name  HD# ) 3.952 2.152 2.152 peak 12114 weight  1.00000E+00 volume  1.62773E+05 ppm1      2.496 ppm2      7.130

ASSI {1385}   (( resid 173  and name  HB1 ))   (( resid 140  and name  HB1 )) 3.096 1.396 3.116 peak 14349 weight  1.00000E+00 volume  5.96400E+05 ppm1      3.315 ppm2      3.505 !2

ASSI {1386}   (( resid 149  and name  HB1 ))   (( resid 140  and name  HB1 )) 3.494 1.794 4.494 peak 14351 weight  1.00000E+00 volume  2.32042E+05 ppm1      3.335 ppm2      1.762 !3

ASSI {1387}   (( resid 147  and name  HA1 ))   (( resid 140  and name  HB2 )) 3.939 2.139 2.139 peak 14355 weight  1.00000E+00 volume  8.40623E+04 ppm1      3.584 ppm2      3.883

ASSI {1388}   (  resid 140  and name  HD# )   (( resid 140  and name  HB2 )) 3.862 2.062 2.062 peak 14368 weight  1.00000E+00 volume  2.01444E+05 ppm1      3.593 ppm2      7.117

ASSI {1389}   (  resid 140  and name  HD# )   (( resid 140  and name  HB1 )) 3.471 1.671 1.671 peak 14369 weight  1.00000E+00 volume  4.57818E+05 ppm1      3.306 ppm2      7.109

ASSI {1390}   (( resid 174  and name  HG1 ))   (  resid 140  and name  HE# ) 3.135 1.335 1.335 peak 14507 weight  1.00000E+00 volume  1.11728E+06 ppm1      1.547 ppm2      6.638

ASSI {1391}   (( resid 174  and name  HG2 ))   (  resid 140  and name  HE# ) 3.191 1.391 1.391 peak 14508 weight  1.00000E+00 volume  9.78393E+05 ppm1      1.288 ppm2      6.634

ASSI {1392}   (( resid 147  and name  HA1 ))   (( resid 140  and name  HB1 )) 2.936 1.236 1.606 peak 16455 weight  1.00000E+00 volume  9.04512E+05 ppm1      3.896 ppm2      3.326 !1

ASSI {1393}   (( resid 174  and name  HD1 ))   (  resid 140  and name  HE# ) 3.082 1.282 1.282 peak 16586 weight  1.00000E+00 volume  1.26294E+06 ppm1      2.167 ppm2      6.635

ASSI {1394}   (( resid 174  and name  HD2 ))   (  resid 140  and name  HE# ) 2.979 1.179 1.179 peak 16589 weight  1.00000E+00 volume  1.69960E+06 ppm1      2.379 ppm2      6.639

ASSI {1395}   (  resid 140  and name  HD# )   (( resid 145  and name  HB1 )) 4.194 2.394 2.394 peak 18639 weight  1.00000E+00 volume  1.13220E+05 ppm1      2.941 ppm2      7.124

ASSI {1396}   (( resid 171  and name  HB1 ))   (( resid 140  and name  HB2 )) 3.322 1.622 3.722 peak 21894 weight  1.00000E+00 volume  3.51491E+05 ppm1      1.484 ppm2      3.594 !1

ASSI {1397}   (( resid 147  and name  HA2 ))   (( resid 140  and name  HB1 )) 3.708 1.908 1.908 peak 22109 weight  1.00000E+00 volume  1.37528E+05 ppm1      3.319 ppm2      4.301

ASSI {1398}   (( resid 141  and name  HB1 ))   (  resid 142  and name  HD2#) 3.876 2.076 2.076 peak 11583 weight  1.00000E+00 volume  3.06328E+05 ppm1      0.894 ppm2      2.534

ASSI {1399}   (( resid 141  and name  HG1 ))   (  resid 142  and name  HD2#) 4.332 2.532 2.532 peak 11585 weight  1.00000E+00 volume  1.24221E+05 ppm1      0.894 ppm2      2.651

ASSI {1400}   (( resid 141  and name  HB2 ))   (  resid 142  and name  HB# ) 3.615 1.915 2.505 peak 12470 weight  1.00000E+00 volume  1.65252E+05 ppm1      1.462 ppm2      2.371 !1

ASSI {1401}   (( resid 141  and name  HB1 ))   (( resid 147  and name  HA1 )) 3.231 1.43 1.43 peak 12479 weight  1.00000E+00 volume  4.15973E+05 ppm1      2.522 ppm2      3.887

ASSI {1402}   (( resid 141  and name  HB1 ))   (  resid 150  and name  HE# ) 3.939 2.139 2.139 peak 12486 weight  1.00000E+00 volume  1.76946E+05 ppm1      2.525 ppm2      6.697

ASSI {1403}   (( resid 141  and name  HB2 ))   (  resid 150  and name  HE# ) 3.703 1.903 1.903 peak 12487 weight  1.00000E+00 volume  2.84854E+05 ppm1      2.366 ppm2      6.687

ASSI {1404}   (( resid 141  and name  HG1 ))   (  resid 169  and name  HB# ) 3.075 1.375 2.065 peak 12559 weight  1.00000E+00 volume  2.13165E+06 ppm1      1.451 ppm2      2.634 !1

ASSI {1405}   (( resid 141  and name  HB1 ))   (( resid 171  and name  HB1 )) 3.012 1.312 5.242 peak 13667 weight  1.00000E+00 volume  7.57285E+05 ppm1      1.479 ppm2      2.535 !2

ASSI {1406}   (( resid 141  and name  HB1 ))   (( resid 147  and name  HA2 )) 3.032 1.232 1.232 peak 16462 weight  1.00000E+00 volume  7.28397E+05 ppm1      4.305 ppm2      2.528

ASSI {1407}   (( resid 141  and name  HG1 ))   (( resid 141  and name  HG2 )) 2.388 0.5875 0.5875 peak 17852 weight  1.00000E+00 volume  6.29801E+06 ppm1      2.332 ppm2      2.634

ASSI {1408}   (( resid 141  and name  HG1 ))   (( resid 170  and name  HB  )) 2.982 1.282 3.163 peak 17858 weight  1.00000E+00 volume  8.40627E+05 ppm1      2.643 ppm2      1.614 !3

ASSI {1409}   (( resid 141  and name  HG2 ))   (  resid 142  and name  HD1#) 3.184 1.384 1.384 peak 17860 weight  1.00000E+00 volume  1.45652E+06 ppm1      2.333 ppm2      0.968

ASSI {1410}   (( resid 141  and name  HG1 ))   (  resid 142  and name  HD1#) 3.373 1.673 2.143 peak 17861 weight  1.00000E+00 volume  9.32912E+05 ppm1      2.641 ppm2      0.962 !1

ASSI {1411}   (( resid 141  and name  HG2 ))   (  resid 170  and name  HG1#) 4.021 2.321 2.66 peak 17866 weight  1.00000E+00 volume  2.22511E+05 ppm1      2.330 ppm2      0.481 !1

ASSI {1412}   (( resid 141  and name  HG1 ))   (  resid 170  and name  HG1#) 4.67 2.87 2.87 peak 17867 weight  1.00000E+00 volume  7.54285E+04 ppm1      2.642 ppm2      0.470

ASSI {1413}   (( resid 141  and name  HG1 ))   (( resid 147  and name  HA1 )) 3.435 1.735 2.275 peak 17868 weight  1.00000E+00 volume  2.53557E+05 ppm1      2.651 ppm2      3.884 !1

ASSI {1414}   (( resid 141  and name  HG2 ))   (  resid 150  and name  HE# ) 3.856 2.056 2.056 peak 17878 weight  1.00000E+00 volume  2.04217E+05 ppm1      2.329 ppm2      6.689

ASSI {1415}   (( resid 141  and name  HG1 ))   (( resid 142  and name  HG  )) 3.231 1.531 3.941 peak 18282 weight  1.00000E+00 volume  4.02233E+05 ppm1      1.573 ppm2      2.655 !2

ASSI {1416}   (( resid 141  and name  HG2 ))   (  resid 143  and name  HG# ) 2.666 0.966 5.386 peak 18945 weight  1.00000E+00 volume  2.14337E+06 ppm1      2.338 ppm2      2.050 !2

ASSI {1417}   (( resid 141  and name  HG1 ))   (( resid 147  and name  HA2 )) 3.2 1.5 3.941 peak 22823 weight  1.00000E+00 volume  4.61596E+05 ppm1      4.302 ppm2      2.643 !3

ASSI {1418}   (  resid 143  and name  HG# )   (  resid 142  and name  HD1#) 3.39 1.59 1.59 peak 11379 weight  1.00000E+00 volume  8.78900E+05 ppm1      2.043 ppm2      0.966

ASSI {1419}   (  resid 146  and name  HG# )   (  resid 142  and name  HD2#) 2.862 1.162 3.622 peak 11572 weight  1.00000E+00 volume  3.73822E+06 ppm1      0.894 ppm2      1.614 !4

ASSI {1420}   (  resid 142  and name  HD2#)   (( resid 143  and name  HD1 )) 3.429 1.729 2.489 peak 11592 weight  1.00000E+00 volume  7.83211E+05 ppm1      0.896 ppm2      3.671 !1

ASSI {1421}   (( resid 147  and name  HA1 ))   (  resid 142  and name  HD2#) 3.28 1.48 1.48 peak 11593 weight  1.00000E+00 volume  1.19371E+06 ppm1      0.895 ppm2      3.892

ASSI {1422}   (( resid 147  and name  HA2 ))   (  resid 142  and name  HD2#) 3.2 1.4 1.4 peak 11594 weight  1.00000E+00 volume  1.48836E+06 ppm1      0.893 ppm2      4.304

ASSI {1423}   (( resid 147  and name  HA2 ))   (  resid 142  and name  HD1#) 3.516 1.716 1.716 peak 11595 weight  1.00000E+00 volume  6.69944E+05 ppm1      0.974 ppm2      4.320

ASSI {1424}   (( resid 171  and name  HG2 ))   (  resid 142  and name  HD1#) 3.237 1.437 1.437 peak 12430 weight  1.00000E+00 volume  1.27430E+06 ppm1      2.331 ppm2      0.980

ASSI {1425}   (  resid 142  and name  HB# )   (  resid 142  and name  HD1#) 3.341 1.542 1.542 peak 12466 weight  1.00000E+00 volume  9.44121E+05 ppm1      1.453 ppm2      0.978

ASSI {1426}   (  resid 142  and name  HB# )   (  resid 142  and name  HD2#) 3.261 1.461 1.461 peak 12467 weight  1.00000E+00 volume  1.21096E+06 ppm1      1.452 ppm2      0.898

ASSI {1427}   (  resid 142  and name  HB# )   (( resid 145  and name  HB2 )) 3.351 1.651 3.86 peak 12468 weight  1.00000E+00 volume  3.23322E+05 ppm1      1.462 ppm2      1.891 !2

ASSI {1428}   (  resid 142  and name  HB# )   (  resid 143  and name  HG# ) 3.515 1.715 1.715 peak 12469 weight  1.00000E+00 volume  1.95245E+05 ppm1      1.457 ppm2      2.039

ASSI {1429}   (  resid 142  and name  HB# )   (( resid 143  and name  HD1 )) 3.142 1.342 1.342 peak 12472 weight  1.00000E+00 volume  4.98012E+05 ppm1      1.461 ppm2      3.667

ASSI {1430}   (( resid 147  and name  HA1 ))   (  resid 142  and name  HB# ) 3.713 2.013 2.623 peak 12473 weight  1.00000E+00 volume  1.30646E+05 ppm1      1.467 ppm2      3.872 !1

ASSI {1431}   (( resid 147  and name  HA2 ))   (  resid 142  and name  HB# ) 3.819 2.019 2.019 peak 12475 weight  1.00000E+00 volume  8.43332E+04 ppm1      1.456 ppm2      4.311

ASSI {1432}   (  resid 169  and name  HB# )   (  resid 142  and name  HD1#) 3.839 2.139 2.549 peak 12549 weight  1.00000E+00 volume  1.04160E+06 ppm1      1.452 ppm2      0.964 !1

ASSI {1433}   (  resid 142  and name  HD1#)   (( resid 143  and name  HD1 )) 3.067 1.267 1.267 peak 16343 weight  1.00000E+00 volume  2.00187E+06 ppm1      3.667 ppm2      0.959

ASSI {1434}   (  resid 142  and name  HD1#)   (( resid 143  and name  HD2 )) 3.051 1.351 2.131 peak 16344 weight  1.00000E+00 volume  2.10225E+06 ppm1      3.618 ppm2      0.962 !1

ASSI {1435}   (( resid 146  and name  HB1 ))   (  resid 142  and name  HD2#) 3.468 1.668 1.668 peak 20205 weight  1.00000E+00 volume  7.06788E+05 ppm1      1.579 ppm2      0.915

ASSI {1436}   (( resid 143  and name  HB1 ))   (  resid 142  and name  HD2#) 3.401 1.701 3.541 peak 21294 weight  1.00000E+00 volume  8.38118E+05 ppm1      0.892 ppm2      1.839 !2

ASSI {1437}   (( resid 171  and name  HB1 ))   (  resid 143  and name  HG# ) 2.847 1.147 2.127 peak 11377 weight  1.00000E+00 volume  1.22944E+06 ppm1      2.046 ppm2      1.487 !2

ASSI {1438}   (  resid 143  and name  HG# )   (( resid 143  and name  HD1 )) 2.642 0.842 0.842 peak 11384 weight  1.00000E+00 volume  2.41878E+06 ppm1      2.041 ppm2      3.673

ASSI {1439}   (( resid 171  and name  HG2 ))   (( resid 143  and name  HD1 )) 3.23 1.43 1.43 peak 12441 weight  1.00000E+00 volume  4.27095E+05 ppm1      2.332 ppm2      3.679

ASSI {1440}   (( resid 143  and name  HB1 ))   (( resid 143  and name  HB2 )) 2.445 0.645 0.645 peak 13539 weight  1.00000E+00 volume  5.13997E+06 ppm1      2.441 ppm2      1.820

ASSI {1441}   (( resid 143  and name  HB2 ))   (( resid 143  and name  HD2 )) 3.047 1.247 1.247 peak 13545 weight  1.00000E+00 volume  6.97260E+05 ppm1      2.447 ppm2      3.617

ASSI {1442}   (( resid 143  and name  HB2 ))   (( resid 143  and name  HD1 )) 3.121 1.321 1.321 peak 13546 weight  1.00000E+00 volume  5.59065E+05 ppm1      2.442 ppm2      3.681

ASSI {1443}   (  resid 146  and name  HG# )   (( resid 143  and name  HD1 )) 2.87 1.17 4.95 peak 14479 weight  1.00000E+00 volume  1.14440E+06 ppm1      1.614 ppm2      3.653 !3

ASSI {1444}   (  resid 172  and name  HB# )   (( resid 143  and name  HB2 )) 3.594 1.794 1.794 peak 15288 weight  1.00000E+00 volume  1.81045E+05 ppm1      4.211 ppm2      2.434

ASSI {1445}   (  resid 172  and name  HB# )   (( resid 143  and name  HB1 )) 3.477 1.677 1.677 peak 15290 weight  1.00000E+00 volume  2.28112E+05 ppm1      4.220 ppm2      1.817

ASSI {1446}   (( resid 143  and name  HD1 ))   (( resid 143  and name  HD2 )) 2.28 0.4805 0.4805 peak 16320 weight  1.00000E+00 volume  9.55607E+06 ppm1      3.617 ppm2      3.672

ASSI {1447}   (( resid 144  and name  HB1 ))   (( resid 143  and name  HD2 )) 3.558 1.858 4.068 peak 16328 weight  1.00000E+00 volume  1.91176E+05 ppm1      3.608 ppm2      2.737 !1

ASSI {1448}   (( resid 143  and name  HB1 ))   (( resid 143  and name  HD1 )) 2.685 0.985 1.545 peak 16335 weight  1.00000E+00 volume  2.10057E+06 ppm1      3.681 ppm2      1.825 !1

ASSI {1449}   (( resid 143  and name  HB1 ))   (( resid 143  and name  HD2 )) 2.619 0.919 1.499 peak 16336 weight  1.00000E+00 volume  2.64617E+06 ppm1      3.615 ppm2      1.824 !1

ASSI {1450}   (  resid 145  and name  HD# )   (( resid 143  and name  HD2 )) 4.169 2.469 5.099 peak 16363 weight  1.00000E+00 volume  1.09524E+05 ppm1      3.621 ppm2      6.727 !3

ASSI {1451}   (( resid 144  and name  HB1 ))   (( resid 143  and name  HB1 )) 3.088 1.388 3.638 peak 16510 weight  1.00000E+00 volume  6.11987E+05 ppm1      2.715 ppm2      1.820 !2

ASSI {1452}   (( resid 146  and name  HB1 ))   (( resid 143  and name  HD1 )) 3.634 1.934 4.024 peak 20209 weight  1.00000E+00 volume  1.63448E+05 ppm1      1.597 ppm2      3.646 !2

ASSI {1453}   (( resid 171  and name  HG1 ))   (( resid 143  and name  HD2 )) 3.099 1.399 2.409 peak 21514 weight  1.00000E+00 volume  5.99985E+05 ppm1      2.542 ppm2      3.616 !2

ASSI {1454}   (( resid 171  and name  HB1 ))   (( resid 143  and name  HD1 )) 3.248 1.448 1.448 peak 21893 weight  1.00000E+00 volume  4.09751E+05 ppm1      1.483 ppm2      3.677

ASSI {1455}   (  resid 172  and name  HB# )   (( resid 143  and name  HD1 )) 3.238 1.538 3.358 peak 22452 weight  1.00000E+00 volume  4.04583E+05 ppm1      4.222 ppm2      3.683 !3

ASSI {1456}   (( resid 144  and name  HB1 ))   (( resid 146  and name  HD1 )) 2.722 1.022 3.502 peak 11812 weight  1.00000E+00 volume  1.95671E+06 ppm1      3.238 ppm2      2.719 !3

ASSI {1457}   (( resid 144  and name  HB1 ))   (  resid 146  and name  HG# ) 2.827 1.127 2.667 peak 14474 weight  1.00000E+00 volume  1.39358E+06 ppm1      1.611 ppm2      2.721 !1

ASSI {1458}   (  resid 146  and name  HG# )   (( resid 144  and name  HD22)) 3.346 1.646 3.296 peak 14483 weight  1.00000E+00 volume  3.20932E+05 ppm1      1.615 ppm2      6.780 !2

ASSI {1459}   (  resid 172  and name  HB# )   (( resid 144  and name  HB1 )) 3.641 1.941 3.901 peak 15285 weight  1.00000E+00 volume  1.64043E+05 ppm1      4.217 ppm2      2.725 !3

ASSI {1460}   (( resid 144  and name  HB1 ))   (( resid 144  and name  HB2 )) 2.264 0.4645 0.4645 peak 16502 weight  1.00000E+00 volume  1.09698E+07 ppm1      2.560 ppm2      2.705

ASSI {1461}   (( resid 144  and name  HB1 ))   (( resid 174  and name  HD2 )) 2.769 1.069 4.969 peak 16503 weight  1.00000E+00 volume  1.41770E+06 ppm1      2.715 ppm2      2.363 !2

ASSI {1462}   (( resid 144  and name  HB1 ))   (( resid 174  and name  HG2 )) 3.405 1.705 5.125 peak 16513 weight  1.00000E+00 volume  2.73654E+05 ppm1      2.717 ppm2      1.270 !2

ASSI {1463}   (( resid 144  and name  HB1 ))   (( resid 146  and name  HD2 )) 2.583 0.883 3.323 peak 16515 weight  1.00000E+00 volume  3.11442E+06 ppm1      2.715 ppm2      3.170 !4

ASSI {1464}   (( resid 146  and name  HB2 ))   (( resid 145  and name  HB1 )) 2.858 1.158 4.008 peak 12278 weight  1.00000E+00 volume  1.17323E+06 ppm1      1.900 ppm2      2.933 !2

ASSI {1465}   (  resid 146  and name  HG# )   (( resid 145  and name  HB2 )) 2.298 0.598 1.848 peak 14471 weight  1.00000E+00 volume  9.41217E+06 ppm1      1.614 ppm2      1.877 !1

ASSI {1466}   (( resid 145  and name  HB1 ))   (( resid 145  and name  HB2 )) 2.747 0.947 0.947 peak 18632 weight  1.00000E+00 volume  1.73489E+06 ppm1      1.881 ppm2      2.929

ASSI {1467}   (  resid 172  and name  HB# )   (( resid 145  and name  HB1 )) 3.769 2.069 3.199 peak 23537 weight  1.00000E+00 volume  1.19366E+05 ppm1      2.948 ppm2      4.228 !2

ASSI {1468}   (  resid 146  and name  HG# )   (( resid 146  and name  HD2 )) 2.334 0.534 0.534 peak 11814 weight  1.00000E+00 volume  7.81394E+06 ppm1      3.181 ppm2      1.617

ASSI {1469}   (( resid 146  and name  HB2 ))   (( resid 74   and name  HG1 )) 3.345 1.645 4.065 peak 14846 weight  1.00000E+00 volume  3.08359E+05 ppm1      2.871 ppm2      1.918 !1

ASSI {1470}   (  resid 146  and name  HG# )   (( resid 74   and name  HG1 )) 3.615 1.915 2.426 peak 14849 weight  1.00000E+00 volume  1.64597E+05 ppm1      2.874 ppm2      1.614 !1

ASSI {1471}   (( resid 147  and name  HA1 ))   (( resid 146  and name  HB2 )) 3.41 1.61 1.61 peak 20211 weight  1.00000E+00 volume  2.60884E+05 ppm1      1.920 ppm2      3.872

ASSI {1472}   (( resid 148  and name  HB1 ))   (( resid 147  and name  HA1 )) 3.582 1.882 2.422 peak 11958 weight  1.00000E+00 volume  1.84571E+05 ppm1      1.668 ppm2      3.890 !1

ASSI {1473}   (( resid 147  and name  HA2 ))   (( resid 149  and name  HB2 )) 2.979 1.279 5.119 peak 12246 weight  1.00000E+00 volume  8.52434E+05 ppm1      4.312 ppm2      1.563 !2

ASSI {1474}   (( resid 171  and name  HG2 ))   (( resid 147  and name  HA1 )) 3.396 1.696 3.816 peak 12443 weight  1.00000E+00 volume  2.69772E+05 ppm1      2.338 ppm2      3.870 !3

ASSI {1475}   (( resid 147  and name  HA1 ))   (( resid 147  and name  HA2 )) 2.424 0.624 0.624 peak 16441 weight  1.00000E+00 volume  5.77129E+06 ppm1      3.891 ppm2      4.298

ASSI {1476}   (( resid 149  and name  HG2 ))   (( resid 147  and name  HA1 )) 3.014 1.314 4.734 peak 16458 weight  1.00000E+00 volume  7.68457E+05 ppm1      3.888 ppm2      2.493 !3

ASSI {1477}   (( resid 148  and name  HG2 ))   (( resid 148  and name  HB1 )) 2.536 0.736 0.736 peak 11949 weight  1.00000E+00 volume  3.61547E+06 ppm1      1.660 ppm2      1.815
OR {1477}   (( resid 148  and name  HB1 ))   (( resid 148  and name  HB2 ))

ASSI {1478}   (( resid 148  and name  HD2 ))   (( resid 148  and name  HB2 )) 2.836 1.136 1.656 peak 11952 weight  1.00000E+00 volume  1.26411E+06 ppm1      1.813 ppm2      3.131 !1

ASSI {1479}   (( resid 148  and name  HD2 ))   (( resid 148  and name  HB1 )) 2.881 1.081 1.081 peak 11954 weight  1.00000E+00 volume  1.08952E+06 ppm1      1.670 ppm2      3.122

ASSI {1480}   (( resid 148  and name  HD1 ))   (( resid 148  and name  HB1 )) 3.135 1.435 2.185 peak 11955 weight  1.00000E+00 volume  5.55616E+05 ppm1      1.665 ppm2      3.270 !1

ASSI {1481}   (( resid 148  and name  HB1 ))   (  resid 150  and name  HE# ) 3.705 2.005 2.985 peak 11966 weight  1.00000E+00 volume  2.70953E+05 ppm1      1.668 ppm2      6.714 !2

ASSI {1482}   (( resid 148  and name  HB1 ))   (  resid 58   and name  HD# ) 3.606 1.806 1.806 peak 11967 weight  1.00000E+00 volume  3.47908E+05 ppm1      1.667 ppm2      7.219

ASSI {1483}   (( resid 148  and name  HB1 ))   (( resid 148  and name  HE  )) 3.476 1.676 1.676 peak 11969 weight  1.00000E+00 volume  2.21093E+05 ppm1      1.665 ppm2      7.527

ASSI {1484}   (( resid 148  and name  HG1 ))   (( resid 148  and name  HD1 )) 2.624 0.824 0.824 peak 12514 weight  1.00000E+00 volume  2.58691E+06 ppm1      3.256 ppm2      1.493

ASSI {1485}   (( resid 148  and name  HD1 ))   (( resid 76   and name  HB1 )) 3.288 1.588 6.368 peak 12515 weight  1.00000E+00 volume  3.61057E+05 ppm1      3.263 ppm2      1.278 !3

ASSI {1486}   (( resid 148  and name  HD2 ))   (  resid 76   and name  HD2#) 3.739 2.039 3.769 peak 12517 weight  1.00000E+00 volume  3.92831E+05 ppm1      3.133 ppm2      0.594 !2

ASSI {1487}   (( resid 148  and name  HD2 ))   (  resid 58   and name  HE# ) 2.932 1.232 3.622 peak 12524 weight  1.00000E+00 volume  1.94523E+06 ppm1      3.131 ppm2      6.839 !3

ASSI {1488}   (( resid 148  and name  HD2 ))   (( resid 148  and name  HE  )) 2.952 1.152 1.152 peak 12525 weight  1.00000E+00 volume  8.90617E+05 ppm1      3.125 ppm2      7.528

ASSI {1489}   (( resid 148  and name  HD1 ))   (( resid 148  and name  HE  )) 3.154 1.454 2.503 peak 12526 weight  1.00000E+00 volume  5.21856E+05 ppm1      3.263 ppm2      7.538 !1

ASSI {1490}   (( resid 148  and name  HG1 ))   (( resid 148  and name  HG2 )) 2.502 0.802 1.631 peak 17151 weight  1.00000E+00 volume  4.00636E+06 ppm1      1.817 ppm2      1.497 !1

ASSI {1491}   (( resid 148  and name  HG1 ))   (( resid 148  and name  HD2 )) 2.735 0.935 0.935 peak 17158 weight  1.00000E+00 volume  1.84997E+06 ppm1      1.491 ppm2      3.111

ASSI {1492}   (( resid 148  and name  HG2 ))   (  resid 58   and name  HB# ) 3.354 1.654 2.614 peak 17160 weight  1.00000E+00 volume  3.12388E+05 ppm1      1.820 ppm2      2.932 !1

ASSI {1493}   (( resid 148  and name  HG1 ))   (  resid 150  and name  HE# ) 3.56 1.86 3.06 peak 17171 weight  1.00000E+00 volume  3.75842E+05 ppm1      1.499 ppm2      6.702 !2

ASSI {1494}   (( resid 148  and name  HG2 ))   (  resid 150  and name  HE# ) 3.723 2.023 3.312 peak 17172 weight  1.00000E+00 volume  2.49700E+05 ppm1      1.814 ppm2      6.698 !2

ASSI {1495}   (( resid 148  and name  HG2 ))   (  resid 58   and name  HE# ) 3.413 1.713 2.223 peak 17173 weight  1.00000E+00 volume  5.40953E+05 ppm1      1.816 ppm2      6.835 !1

ASSI {1496}   (( resid 148  and name  HG1 ))   (  resid 58   and name  HD# ) 3.444 1.744 2.293 peak 17175 weight  1.00000E+00 volume  5.02822E+05 ppm1      1.500 ppm2      7.225 !1

ASSI {1497}   (( resid 148  and name  HG2 ))   (( resid 148  and name  HE  )) 3.39 1.59 1.59 peak 17176 weight  1.00000E+00 volume  2.80531E+05 ppm1      1.822 ppm2      7.533

ASSI {1498}   (( resid 148  and name  HG1 ))   (( resid 148  and name  HE  )) 3.328 1.528 1.528 peak 17177 weight  1.00000E+00 volume  3.23330E+05 ppm1      1.492 ppm2      7.538

ASSI {1499}   (( resid 148  and name  HG2 ))   (  resid 76   and name  HD2#) 3.873 2.173 3.283 peak 23019 weight  1.00000E+00 volume  2.85960E+05 ppm1      1.805 ppm2      0.590 !1

ASSI {1500}   (( resid 148  and name  HD1 ))   (  resid 165  and name  HB# ) 4.045 2.345 3.375 peak 23913 weight  1.00000E+00 volume  2.24035E+05 ppm1      0.816 ppm2      3.249 !2

ASSI {1501}   (( resid 149  and name  HG1 ))   (  resid 151  and name  HD# ) 3.985 2.285 3.945 peak 10570 weight  1.00000E+00 volume  2.27244E+05 ppm1      0.763 ppm2      2.309 !1

ASSI {1502}   (( resid 149  and name  HB1 ))   (( resid 149  and name  HB2 )) 2.611 0.811 0.811 peak 11920 weight  1.00000E+00 volume  2.64345E+06 ppm1      1.548 ppm2      1.755

ASSI {1503}   (  resid 61   and name  HG2#)   (( resid 149  and name  HB1 )) 3.826 2.126 3.766 peak 11921 weight  1.00000E+00 volume  3.27340E+05 ppm1      1.753 ppm2      0.690 !3

ASSI {1504}   (  resid 61   and name  HG2#)   (( resid 149  and name  HB2 )) 3.088 1.388 4.048 peak 11922 weight  1.00000E+00 volume  1.72271E+06 ppm1      1.554 ppm2      0.689 !3

ASSI {1505}   (( resid 149  and name  HB2 ))   (( resid 63   and name  HD1 )) 3.112 1.412 6.742 peak 11935 weight  1.00000E+00 volume  5.41466E+05 ppm1      1.552 ppm2      3.662 !3

ASSI {1506}   (( resid 149  and name  HG1 ))   (( resid 149  and name  HG2 )) 2.632 0.832 0.832 peak 12098 weight  1.00000E+00 volume  2.32769E+06 ppm1      2.325 ppm2      2.494

ASSI {1507}   (( resid 149  and name  HG2 ))   (( resid 149  and name  HB1 )) 3.022 1.222 1.222 peak 12100 weight  1.00000E+00 volume  7.13800E+05 ppm1      2.508 ppm2      1.753

ASSI {1508}   (( resid 149  and name  HG1 ))   (( resid 149  and name  HB1 )) 3.168 1.369 1.369 peak 12101 weight  1.00000E+00 volume  4.07661E+05 ppm1      2.318 ppm2      1.758

ASSI {1509}   (( resid 149  and name  HG1 ))   (  resid 61   and name  HD1#) 4.275 2.475 2.475 peak 12105 weight  1.00000E+00 volume  1.28983E+05 ppm1      2.318 ppm2      0.679
OR {1509}   (( resid 149  and name  HG1 ))   (  resid 61   and name  HG2#)

ASSI {1510}   (( resid 74   and name  HB2 ))   (( resid 149  and name  HE21)) 3.782 2.082 3.062 peak 17522 weight  1.00000E+00 volume  1.18885E+05 ppm1      2.821 ppm2      8.249 !2

ASSI {1511}   (( resid 149  and name  HG2 ))   (  resid 61   and name  HG2#) 4.31 2.61 3.16 peak 21420 weight  1.00000E+00 volume  1.26305E+05 ppm1      2.489 ppm2      0.680 !1

ASSI {1512}   (( resid 164  and name  HA2 ))   (  resid 150  and name  HE# ) 4.225 2.425 2.425 peak 14081 weight  1.00000E+00 volume  9.68414E+04 ppm1      4.566 ppm2      6.701

ASSI {1513}   (( resid 163  and name  HB2 ))   (( resid 150  and name  HB2 )) 3.55 1.75 1.75 peak 17471 weight  1.00000E+00 volume  1.99219E+05 ppm1      3.280 ppm2      3.559

ASSI {1514}   (  resid 165  and name  HB# )   (  resid 150  and name  HE# ) 3.463 1.663 1.663 peak 19828 weight  1.00000E+00 volume  1.51862E+06 ppm1      0.817 ppm2      6.701

ASSI {1515}   (( resid 151  and name  HB2 ))   (( resid 150  and name  HB2 )) 3.475 1.775 3.265 peak 20132 weight  1.00000E+00 volume  2.24450E+05 ppm1      3.580 ppm2      1.880 !2

ASSI {1516}   (( resid 150  and name  HB2 ))   (  resid 150  and name  HE# ) 3.841 2.041 2.041 peak 20154 weight  1.00000E+00 volume  1.96054E+05 ppm1      3.587 ppm2      6.710

ASSI {1517}   (( resid 150  and name  HB1 ))   (( resid 150  and name  HB2 )) 2.992 1.192 1.192 peak 24029 weight  1.00000E+00 volume  8.48990E+05 ppm1      2.516 ppm2      3.564

ASSI {1518}   (  resid 151  and name  HD# )   (  resid 84   and name  HD# ) 4.066 2.265 2.265 peak 10569 weight  1.00000E+00 volume  1.94659E+05 ppm1      0.758 ppm2      2.389

ASSI {1519}   (( resid 151  and name  HB1 ))   (( resid 151  and name  HB2 )) 2.793 0.993 0.993 peak 12322 weight  1.00000E+00 volume  1.51227E+06 ppm1      1.183 ppm2      1.889

ASSI {1520}   (( resid 151  and name  HB2 ))   (( resid 151  and name  HG  )) 2.848 1.048 1.048 peak 18200 weight  1.00000E+00 volume  1.25400E+06 ppm1      1.353 ppm2      1.879

ASSI {1521}   (  resid 48   and name  HB# )   (( resid 151  and name  HB2 )) 3.642 1.842 1.842 peak 19380 weight  1.00000E+00 volume  5.19189E+05 ppm1      1.115 ppm2      1.889

ASSI {1522}   (  resid 48   and name  HB# )   (  resid 151  and name  HD# ) 3.345 1.544 1.544 peak 21009 weight  1.00000E+00 volume  2.94312E+06 ppm1      0.762 ppm2      1.115

ASSI {1523}   (  resid 151  and name  HD# )   (( resid 84   and name  HE  )) 3.992 2.292 3.882 peak 21019 weight  1.00000E+00 volume  2.16593E+05 ppm1      0.764 ppm2      6.587 !3

ASSI {1524}   (( resid 157  and name  HB1 ))   (( resid 156  and name  HG2 )) 3.64 1.94 3.84 peak 12804 weight  1.00000E+00 volume  1.48393E+05 ppm1      3.179 ppm2      2.034 !3

ASSI {1525}   (( resid 156  and name  HG1 ))   (  resid 156  and name  HB# ) 2.974 1.274 1.964 peak 14711 weight  1.00000E+00 volume  8.73692E+05 ppm1      1.929 ppm2      2.438 !1

ASSI {1526}   (( resid 156  and name  HG1 ))   (( resid 156  and name  HG2 )) 2.239 0.439 0.439 peak 18642 weight  1.00000E+00 volume  1.17899E+07 ppm1      2.443 ppm2      2.049

ASSI {1527}   (( resid 157  and name  HB2 ))   (( resid 156  and name  HG1 )) 3.24 1.54 3.16 peak 18647 weight  1.00000E+00 volume  4.14697E+05 ppm1      2.450 ppm2      2.782 !1

ASSI {1528}   (( resid 157  and name  HB2 ))   (( resid 156  and name  HG2 )) 3.514 1.814 2.294 peak 18648 weight  1.00000E+00 volume  2.02812E+05 ppm1      2.050 ppm2      2.792 !1

ASSI {1529}   (( resid 160  and name  HD2 ))   (  resid 158  and name  HD# ) 3.336 1.636 4.156 peak 14725 weight  1.00000E+00 volume  3.35836E+05 ppm1      3.138 ppm2      4.088 !2

ASSI {1530}   (( resid 159  and name  HD1 ))   (  resid 161  and name  HG2#) 3.086 1.286 1.286 peak 10500 weight  1.00000E+00 volume  1.88381E+06 ppm1      1.610 ppm2      0.734
OR {1530}   (  resid 161  and name  HD1#)   (( resid 159  and name  HD1 ))

ASSI {1531}   (  resid 161  and name  HG2#)   (  resid 159  and name  HE# ) 2.903 1.203 1.633 peak 12413 weight  1.00000E+00 volume  3.50805E+06 ppm1      0.727 ppm2      2.872 !1

ASSI {1532}   (( resid 160  and name  HB2 ))   (( resid 159  and name  HB2 )) 3.615 1.915 2.775 peak 12730 weight  1.00000E+00 volume  1.74248E+05 ppm1      1.018 ppm2      1.934 !1

ASSI {1533}   (( resid 159  and name  HG1 ))   (( resid 159  and name  HD2 )) 2.665 0.865 0.865 peak 12940 weight  1.00000E+00 volume  2.27103E+06 ppm1      1.573 ppm2      1.187

ASSI {1534}   (  resid 161  and name  HD1#)   (( resid 159  and name  HD1 )) 3.041 1.241 1.241 peak 12943 weight  1.00000E+00 volume  2.16286E+06 ppm1      1.608 ppm2      0.742
OR {1534}   (( resid 159  and name  HD1 ))   (  resid 161  and name  HG2#)

ASSI {1535}   (  resid 161  and name  HD1#)   (( resid 159  and name  HD2 )) 3.069 1.269 1.269 peak 12944 weight  1.00000E+00 volume  1.83950E+06 ppm1      1.576 ppm2      0.741
OR {1535}   (( resid 159  and name  HD2 ))   (  resid 161  and name  HG2#)

ASSI {1536}   (( resid 159  and name  HD1 ))   (  resid 159  and name  HE# ) 2.429 0.6295 0.6295 peak 12946 weight  1.00000E+00 volume  5.67179E+06 ppm1      1.613 ppm2      2.875

ASSI {1537}   (( resid 159  and name  HD2 ))   (  resid 159  and name  HE# ) 2.551 0.751 0.751 peak 12947 weight  1.00000E+00 volume  3.50941E+06 ppm1      1.572 ppm2      2.875

ASSI {1538}   (  resid 161  and name  HD1#)   (  resid 159  and name  HE# ) 4.136 2.337 2.337 peak 13726 weight  1.00000E+00 volume  1.88872E+05 ppm1      0.728 ppm2      2.890

ASSI {1539}   (( resid 159  and name  HG1 ))   (( resid 159  and name  HG2 )) 2.267 0.467 0.467 peak 14561 weight  1.00000E+00 volume  1.13718E+07 ppm1      1.327 ppm2      1.171

ASSI {1540}   (( resid 159  and name  HG2 ))   (( resid 159  and name  HB1 )) 2.503 0.703 0.703 peak 14563 weight  1.00000E+00 volume  4.19654E+06 ppm1      1.328 ppm2      1.560
OR {1540}   (( resid 159  and name  HG2 ))   (( resid 159  and name  HD2 ))

ASSI {1541}   (( resid 159  and name  HG2 ))   (  resid 159  and name  HE# ) 2.921 1.121 1.121 peak 14568 weight  1.00000E+00 volume  1.07432E+06 ppm1      1.328 ppm2      2.875

ASSI {1542}   (( resid 160  and name  HD1 ))   (( resid 159  and name  HG2 )) 3.6 1.9 2.57 peak 14572 weight  1.00000E+00 volume  1.88597E+05 ppm1      1.327 ppm2      3.407 !1

ASSI {1543}   (( resid 168  and name  HB1 ))   (( resid 159  and name  HB2 )) 2.835 1.135 4.324 peak 16068 weight  1.00000E+00 volume  1.31081E+06 ppm1      1.946 ppm2      1.217 !2

ASSI {1544}   (( resid 159  and name  HG1 ))   (( resid 159  and name  HB1 )) 2.835 1.135 2.115 peak 16069 weight  1.00000E+00 volume  1.26370E+06 ppm1      1.568 ppm2      1.177 !1

ASSI {1545}   (  resid 161  and name  HD1#)   (( resid 159  and name  HB1 )) 3.16 1.46 2.5 peak 16073 weight  1.00000E+00 volume  1.55761E+06 ppm1      1.563 ppm2      0.735 !1
OR {1545}   (  resid 161  and name  HG2#)   (( resid 159  and name  HB1 ))

ASSI {1546}   (( resid 160  and name  HG2 ))   (( resid 159  and name  HB2 )) 2.546 0.846 1.536 peak 16075 weight  1.00000E+00 volume  3.51824E+06 ppm1      1.932 ppm2      1.744 !1

ASSI {1547}   (( resid 159  and name  HB1 ))   (( resid 159  and name  HB2 )) 2.372 0.572 0.572 peak 16076 weight  1.00000E+00 volume  7.01793E+06 ppm1      1.559 ppm2      1.930

ASSI {1548}   (( resid 159  and name  HB2 ))   (  resid 159  and name  HE# ) 2.987 1.187 1.187 peak 16081 weight  1.00000E+00 volume  8.00498E+05 ppm1      1.939 ppm2      2.897

ASSI {1549}   (( resid 160  and name  HD1 ))   (( resid 159  and name  HB2 )) 2.919 1.119 1.119 peak 16084 weight  1.00000E+00 volume  1.06873E+06 ppm1      1.945 ppm2      3.408

ASSI {1550}   (( resid 160  and name  HD1 ))   (( resid 159  and name  HB1 )) 2.934 1.134 1.134 peak 16085 weight  1.00000E+00 volume  1.02620E+06 ppm1      1.558 ppm2      3.410

ASSI {1551}   (( resid 160  and name  HD2 ))   (( resid 159  and name  HB1 )) 3.039 1.239 1.239 peak 16087 weight  1.00000E+00 volume  7.44668E+05 ppm1      1.561 ppm2      4.095

ASSI {1552}   (( resid 160  and name  HD2 ))   (( resid 159  and name  HB2 )) 2.975 1.175 1.175 peak 16088 weight  1.00000E+00 volume  8.46544E+05 ppm1      1.942 ppm2      4.097

ASSI {1553}   (( resid 161  and name  HB  ))   (  resid 159  and name  HE# ) 3.622 1.822 1.822 peak 16706 weight  1.00000E+00 volume  1.70318E+05 ppm1      1.658 ppm2      2.883

ASSI {1554}   (( resid 159  and name  HD2 ))   (  resid 161  and name  HG2#) 2.657 0.957 2.067 peak 17042 weight  1.00000E+00 volume  7.35140E+06 ppm1      0.728 ppm2      1.571 !1
OR {1554}   (  resid 161  and name  HG2#)   (( resid 159  and name  HB1 ))

ASSI {1555}   (  resid 161  and name  HG2#)   (( resid 159  and name  HB2 )) 3.109 1.409 2.129 peak 17044 weight  1.00000E+00 volume  1.94277E+06 ppm1      0.726 ppm2      1.929 !1

ASSI {1556}   (( resid 159  and name  HG1 ))   (  resid 159  and name  HE# ) 2.604 0.804 0.804 peak 17392 weight  1.00000E+00 volume  2.83041E+06 ppm1      2.882 ppm2      1.196

ASSI {1557}   (( resid 162  and name  HB2 ))   (( resid 159  and name  HD2 )) 3.455 1.755 2.195 peak 18688 weight  1.00000E+00 volume  2.28241E+05 ppm1      3.125 ppm2      1.559 !1
OR {1557}   (( resid 162  and name  HB2 ))   (( resid 159  and name  HB1 ))

ASSI {1558}   (( resid 159  and name  HG1 ))   (( resid 162  and name  HB2 )) 3.579 1.779 1.779 peak 18690 weight  1.00000E+00 volume  1.85555E+05 ppm1      3.132 ppm2      1.188

ASSI {1559}   (( resid 161  and name  HG12))   (( resid 159  and name  HB2 )) 2.902 1.202 2.882 peak 19187 weight  1.00000E+00 volume  1.09010E+06 ppm1      1.340 ppm2      1.940 !2

ASSI {1560}   (( resid 161  and name  HG11))   (( resid 159  and name  HB2 )) 3.304 1.604 3.464 peak 19188 weight  1.00000E+00 volume  3.60795E+05 ppm1      1.268 ppm2      1.941 !2

ASSI {1561}   (( resid 161  and name  HG11))   (  resid 159  and name  HE# ) 3.827 2.127 2.547 peak 19190 weight  1.00000E+00 volume  1.20852E+05 ppm1      1.251 ppm2      2.880 !1

ASSI {1562}   (( resid 161  and name  HG12))   (  resid 159  and name  HE# ) 3.583 1.883 2.903 peak 19191 weight  1.00000E+00 volume  1.88211E+05 ppm1      1.336 ppm2      2.885 !2

ASSI {1563}   (  resid 170  and name  HG1#)   (( resid 160  and name  HB1 )) 4.399 2.699 3.219 peak 12723 weight  1.00000E+00 volume  1.10262E+05 ppm1      1.498 ppm2      0.465 !1

ASSI {1564}   (( resid 161  and name  HG11))   (( resid 160  and name  HB2 )) 3.248 1.448 1.448 peak 12725 weight  1.00000E+00 volume  3.90325E+05 ppm1      1.020 ppm2      1.271

ASSI {1565}   (( resid 160  and name  HB2 ))   (( resid 162  and name  HB2 )) 3.95 2.25 3.06 peak 12733 weight  1.00000E+00 volume  8.38858E+04 ppm1      1.017 ppm2      3.115 !1

ASSI {1566}   (( resid 160  and name  HD1 ))   (( resid 160  and name  HB2 )) 3.297 1.497 1.497 peak 12736 weight  1.00000E+00 volume  3.78059E+05 ppm1      1.010 ppm2      3.416

ASSI {1567}   (( resid 160  and name  HD2 ))   (( resid 160  and name  HB2 )) 3.25 1.45 1.45 peak 12741 weight  1.00000E+00 volume  4.23528E+05 ppm1      1.017 ppm2      4.094

ASSI {1568}   (  resid 161  and name  HD1#)   (( resid 160  and name  HG1 )) 2.994 1.194 1.194 peak 13244 weight  1.00000E+00 volume  2.26783E+06 ppm1      1.491 ppm2      0.725
OR {1568}   (  resid 161  and name  HG2#)   (( resid 160  and name  HG1 ))

ASSI {1569}   (( resid 168  and name  HB1 ))   (( resid 160  and name  HG1 )) 2.649 0.849 0.849 peak 13245 weight  1.00000E+00 volume  2.34848E+06 ppm1      1.491 ppm2      1.207

ASSI {1570}   (( resid 160  and name  HG1 ))   (( resid 160  and name  HG2 )) 2.491 0.691 0.691 peak 13246 weight  1.00000E+00 volume  4.09732E+06 ppm1      1.493 ppm2      1.758

ASSI {1571}   (( resid 160  and name  HD1 ))   (( resid 160  and name  HG1 )) 3.016 1.316 2.026 peak 13253 weight  1.00000E+00 volume  7.88478E+05 ppm1      1.476 ppm2      3.407 !1

ASSI {1572}   (( resid 160  and name  HD2 ))   (( resid 160  and name  HG1 )) 2.793 0.993 0.993 peak 13255 weight  1.00000E+00 volume  1.54159E+06 ppm1      1.491 ppm2      4.081

ASSI {1573}   (( resid 160  and name  HD2 ))   (( resid 168  and name  HB2 )) 3.048 1.348 4.158 peak 18329 weight  1.00000E+00 volume  7.54086E+05 ppm1      1.668 ppm2      4.089 !3

ASSI {1574}   (( resid 160  and name  HD1 ))   (( resid 168  and name  HB1 )) 3.337 1.537 1.537 peak 18499 weight  1.00000E+00 volume  3.32678E+05 ppm1      3.423 ppm2      1.220

ASSI {1575}   (( resid 160  and name  HD2 ))   (( resid 168  and name  HB1 )) 3.495 1.695 1.695 peak 18500 weight  1.00000E+00 volume  2.19160E+05 ppm1      4.095 ppm2      1.217

ASSI {1576}   (( resid 160  and name  HD1 ))   (  resid 161  and name  HD1#) 3.941 2.141 2.141 peak 18503 weight  1.00000E+00 volume  2.59072E+05 ppm1      3.418 ppm2      0.756

ASSI {1577}   (( resid 160  and name  HD2 ))   (  resid 161  and name  HG2#) 4.093 2.293 2.293 peak 18504 weight  1.00000E+00 volume  1.84565E+05 ppm1      4.101 ppm2      0.740
OR {1577}   (( resid 160  and name  HD2 ))   (  resid 161  and name  HD1#)

ASSI {1578}   (  resid 165  and name  HB# )   (( resid 160  and name  HD2 )) 4.245 2.545 2.965 peak 18505 weight  1.00000E+00 volume  1.48616E+05 ppm1      4.099 ppm2      0.835 !1

ASSI {1579}   (( resid 160  and name  HD1 ))   (( resid 160  and name  HD2 )) 2.691 0.8905 0.8905 peak 18507 weight  1.00000E+00 volume  2.15909E+06 ppm1      3.415 ppm2      4.095

ASSI {1580}   (  resid 161  and name  HD1#)   (( resid 160  and name  HB2 )) 3.589 1.789 1.789 peak 21616 weight  1.00000E+00 volume  5.48787E+05 ppm1      1.023 ppm2      0.757

ASSI {1581}   (( resid 160  and name  HB2 ))   (( resid 163  and name  HH2 )) 3.807 2.107 2.817 peak 21631 weight  1.00000E+00 volume  1.16171E+05 ppm1      1.015 ppm2      6.495 !1

ASSI {1582}   (( resid 160  and name  HG2 ))   (( resid 163  and name  HH2 )) 3.308 1.608 3.808 peak 21797 weight  1.00000E+00 volume  3.60297E+05 ppm1      1.732 ppm2      6.500 !2

ASSI {1583}   (( resid 160  and name  HD1 ))   (  resid 161  and name  HG2#) 3.738 2.038 3.578 peak 22984 weight  1.00000E+00 volume  4.32517E+05 ppm1      0.727 ppm2      3.396 !2

ASSI {1584}   (( resid 160  and name  HD1 ))   (( resid 168  and name  HB2 )) 3.457 1.757 2.197 peak 23437 weight  1.00000E+00 volume  2.34055E+05 ppm1      1.673 ppm2      3.395 !1

ASSI {1585}   (( resid 161  and name  HG11))   (  resid 161  and name  HD1#) 2.581 0.7805 0.7805 peak 13723 weight  1.00000E+00 volume  9.96720E+06 ppm1      0.738 ppm2      1.262

ASSI {1586}   (( resid 161  and name  HG12))   (( resid 161  and name  HB  )) 2.679 0.8785 0.8785 peak 16702 weight  1.00000E+00 volume  2.15539E+06 ppm1      1.657 ppm2      1.361

ASSI {1587}   (( resid 161  and name  HB  ))   (  resid 161  and name  HG2#) 2.649 0.849 0.849 peak 16704 weight  1.00000E+00 volume  7.77659E+06 ppm1      1.656 ppm2      0.731
OR {1587}   (  resid 161  and name  HD1#)   (( resid 161  and name  HB  ))

ASSI {1588}   (( resid 161  and name  HG11))   (( resid 161  and name  HG12)) 2.175 0.3745 0.3745 peak 19181 weight  1.00000E+00 volume  1.63226E+07 ppm1      1.342 ppm2      1.261

ASSI {1589}   (( resid 161  and name  HG12))   (  resid 161  and name  HD1#) 2.554 0.754 0.754 peak 19183 weight  1.00000E+00 volume  1.08361E+07 ppm1      1.336 ppm2      0.739
OR {1589}   (( resid 161  and name  HG12))   (  resid 161  and name  HG2#)

ASSI {1590}   (( resid 161  and name  HG11))   (( resid 164  and name  HA2 )) 3.62 1.92 2.78 peak 19195 weight  1.00000E+00 volume  1.71604E+05 ppm1      1.255 ppm2      4.558 !1

ASSI {1591}   (( resid 161  and name  HG12))   (( resid 164  and name  HA2 )) 3.554 1.854 2.495 peak 19196 weight  1.00000E+00 volume  2.02027E+05 ppm1      1.342 ppm2      4.560 !1

ASSI {1592}   (  resid 165  and name  HB# )   (( resid 161  and name  HG11)) 3.569 1.769 1.769 peak 19816 weight  1.00000E+00 volume  5.41471E+05 ppm1      0.826 ppm2      1.261

ASSI {1593}   (( resid 168  and name  HD2 ))   (  resid 161  and name  HG2#) 3.76 1.96 1.96 peak 20888 weight  1.00000E+00 volume  3.52435E+05 ppm1      3.708 ppm2      0.733
OR {1593}   (  resid 161  and name  HD1#)   (( resid 168  and name  HD2 ))

ASSI {1594}   (( resid 168  and name  HD1 ))   (  resid 161  and name  HG2#) 3.611 1.811 1.811 peak 20889 weight  1.00000E+00 volume  4.89314E+05 ppm1      3.653 ppm2      0.732
OR {1594}   (  resid 161  and name  HD1#)   (( resid 168  and name  HD1 ))

ASSI {1595}   (( resid 164  and name  HA1 ))   (( resid 162  and name  HB1 )) 3.63 1.93 4.15 peak 14073 weight  1.00000E+00 volume  1.63701E+05 ppm1      3.769 ppm2      3.304 !2

ASSI {1596}   (( resid 168  and name  HB1 ))   (( resid 162  and name  HB2 )) 3.376 1.676 5.066 peak 18320 weight  1.00000E+00 volume  2.80713E+05 ppm1      1.226 ppm2      3.120 !2

ASSI {1597}   (( resid 163  and name  HB2 ))   (( resid 162  and name  HB2 )) 2.749 1.049 4.139 peak 18684 weight  1.00000E+00 volume  1.71233E+06 ppm1      3.128 ppm2      3.269 !1

ASSI {1598}   (  resid 170  and name  HG1#)   (( resid 163  and name  HH2 )) 4.297 2.497 2.497 peak 10871 weight  1.00000E+00 volume  1.36672E+05 ppm1      0.478 ppm2      6.524

ASSI {1599}   (( resid 163  and name  HB1 ))   (( resid 164  and name  HA1 )) 3.546 1.846 2.526 peak 14074 weight  1.00000E+00 volume  1.92044E+05 ppm1      3.764 ppm2      2.492 !1

ASSI {1600}   (( resid 163  and name  HB1 ))   (( resid 163  and name  HB2 )) 2.796 0.996 0.996 peak 17459 weight  1.00000E+00 volume  1.52994E+06 ppm1      3.284 ppm2      2.492

ASSI {1601}   (  resid 170  and name  HG2#)   (( resid 163  and name  HB1 )) 4.138 2.438 3.718 peak 17461 weight  1.00000E+00 volume  1.77642E+05 ppm1      2.489 ppm2      0.800 !2

ASSI {1602}   (  resid 170  and name  HG1#)   (( resid 163  and name  HB2 )) 3.931 2.231 3.341 peak 17462 weight  1.00000E+00 volume  2.55677E+05 ppm1      3.288 ppm2      0.489 !1

ASSI {1603}   (  resid 170  and name  HG1#)   (( resid 163  and name  HB1 )) 4.05 2.35 3.39 peak 17463 weight  1.00000E+00 volume  2.22742E+05 ppm1      2.498 ppm2      0.481 !1

ASSI {1604}   (( resid 163  and name  HB2 ))   (( resid 163  and name  HZ3 )) 3.904 2.204 2.544 peak 17480 weight  1.00000E+00 volume  9.61907E+04 ppm1      3.286 ppm2      6.454 !1

ASSI {1605}   (( resid 170  and name  HB  ))   (( resid 163  and name  HH2 )) 3.666 1.966 3.146 peak 19264 weight  1.00000E+00 volume  1.47359E+05 ppm1      1.610 ppm2      6.520 !2

ASSI {1606}   (  resid 165  and name  HB# )   (( resid 163  and name  HH2 )) 3.918 2.119 2.119 peak 19830 weight  1.00000E+00 volume  2.76215E+05 ppm1      0.817 ppm2      6.530

ASSI {1607}   (  resid 165  and name  HB# )   (( resid 163  and name  HE1 )) 3.256 1.556 1.916 peak 19834 weight  1.00000E+00 volume  1.22902E+06 ppm1      0.814 ppm2      9.765 !1

ASSI {1608}   (  resid 170  and name  HG2#)   (( resid 163  and name  HB2 )) 4.064 2.364 3.424 peak 23127 weight  1.00000E+00 volume  2.03919E+05 ppm1      3.290 ppm2      0.794 !1

ASSI {1609}   (( resid 164  and name  HA1 ))   (( resid 164  and name  HA2 )) 2.444 0.644 0.644 peak 14072 weight  1.00000E+00 volume  5.23196E+06 ppm1      3.759 ppm2      4.547

ASSI {1610}   (( resid 167  and name  HB2 ))   (  resid 165  and name  HB# ) 3.817 2.017 2.017 peak 17322 weight  1.00000E+00 volume  3.43507E+05 ppm1      3.771 ppm2      0.820

ASSI {1611}   (  resid 169  and name  HB# )   (( resid 167  and name  HB1 )) 3.606 1.806 1.806 peak 12562 weight  1.00000E+00 volume  5.07562E+05 ppm1      1.450 ppm2      4.149

ASSI {1612}   (( resid 167  and name  HB1 ))   (( resid 168  and name  HD2 )) 2.284 0.484 0.484 peak 17302 weight  1.00000E+00 volume  1.01310E+07 ppm1      4.155 ppm2      3.723

ASSI {1613}   (( resid 167  and name  HB1 ))   (( resid 168  and name  HD1 )) 2.565 0.865 2.214 peak 17303 weight  1.00000E+00 volume  3.22798E+06 ppm1      4.158 ppm2      3.642 !2

ASSI {1614}   (( resid 167  and name  HB2 ))   (( resid 168  and name  HD1 )) 2.535 0.835 2.276 peak 17304 weight  1.00000E+00 volume  3.41619E+06 ppm1      3.772 ppm2      3.661 !1

ASSI {1615}   (( resid 167  and name  HB2 ))   (( resid 168  and name  HG2 )) 3.103 1.403 2.962 peak 17316 weight  1.00000E+00 volume  5.95846E+05 ppm1      3.769 ppm2      1.711 !2

ASSI {1616}   (( resid 167  and name  HB1 ))   (( resid 168  and name  HB1 )) 3.437 1.737 2.307 peak 17319 weight  1.00000E+00 volume  2.66116E+05 ppm1      4.159 ppm2      1.230 !1

ASSI {1617}   (( resid 167  and name  HB2 ))   (( resid 168  and name  HB1 )) 3.519 1.819 3.48 peak 17320 weight  1.00000E+00 volume  1.84001E+05 ppm1      3.777 ppm2      1.239 !2

ASSI {1618}   (( resid 167  and name  HB1 ))   (( resid 167  and name  HB2 )) 2.252 0.452 0.452 peak 17323 weight  1.00000E+00 volume  1.20508E+07 ppm1      3.772 ppm2      4.147

ASSI {1619}   (( resid 167  and name  HB2 ))   (( resid 168  and name  HD2 )) 2.675 0.975 1.575 peak 20870 weight  1.00000E+00 volume  2.16226E+06 ppm1      3.719 ppm2      3.777 !1

ASSI {1620}   (  resid 169  and name  HB# )   (( resid 168  and name  HD2 )) 3.433 1.633 1.633 peak 12561 weight  1.00000E+00 volume  8.01825E+05 ppm1      1.450 ppm2      3.716

ASSI {1621}   (( resid 168  and name  HB1 ))   (( resid 168  and name  HB2 )) 2.628 0.8285 0.8285 peak 18309 weight  1.00000E+00 volume  2.52065E+06 ppm1      1.667 ppm2      1.223

ASSI {1622}   (( resid 168  and name  HB2 ))   (( resid 168  and name  HD1 )) 3.157 1.457 2.327 peak 18327 weight  1.00000E+00 volume  5.01413E+05 ppm1      1.674 ppm2      3.659 !1

ASSI {1623}   (( resid 168  and name  HB1 ))   (( resid 168  and name  HD2 )) 3.247 1.447 1.447 peak 20885 weight  1.00000E+00 volume  3.98647E+05 ppm1      3.721 ppm2      1.233

ASSI {1624}   (( resid 168  and name  HB1 ))   (( resid 168  and name  HD1 )) 2.992 1.192 1.192 peak 23438 weight  1.00000E+00 volume  8.37686E+05 ppm1      1.222 ppm2      3.648

ASSI {1625}   (  resid 169  and name  HB# )   (  resid 170  and name  HG2#) 3.835 2.035 2.035 peak 12550 weight  1.00000E+00 volume  9.92730E+05 ppm1      1.451 ppm2      0.792

ASSI {1626}   (  resid 169  and name  HB# )   (  resid 170  and name  HG1#) 4.4 2.6 2.6 peak 12552 weight  1.00000E+00 volume  3.66894E+05 ppm1      1.452 ppm2      0.463

ASSI {1627}   (  resid 170  and name  HG1#)   (( resid 173  and name  HB2 )) 3.778 2.078 3.798 peak 10858 weight  1.00000E+00 volume  3.56066E+05 ppm1      0.477 ppm2      3.742 !2

ASSI {1628}   (  resid 170  and name  HG2#)   (  resid 170  and name  HG1#) 3.398 1.598 1.598 peak 10880 weight  1.00000E+00 volume  2.60096E+06 ppm1      0.794 ppm2      0.480

ASSI {1629}   (( resid 171  and name  HG2 ))   (  resid 170  and name  HG1#) 4.054 2.254 2.254 peak 12438 weight  1.00000E+00 volume  2.08751E+05 ppm1      2.333 ppm2      0.478

ASSI {1630}   (  resid 170  and name  HG1#)   (( resid 173  and name  HB1 )) 4.188 2.388 2.388 peak 17809 weight  1.00000E+00 volume  1.75777E+05 ppm1      3.506 ppm2      0.490

ASSI {1631}   (  resid 170  and name  HG2#)   (  resid 98   and name  HD1#) 3.841 2.141 3.291 peak 17933 weight  1.00000E+00 volume  9.68386E+05 ppm1      0.296 ppm2      0.808 !2

ASSI {1632}   (  resid 170  and name  HG2#)   (( resid 170  and name  HB  )) 2.824 1.023 1.023 peak 19255 weight  1.00000E+00 volume  3.96978E+06 ppm1      1.621 ppm2      0.787

ASSI {1633}   (  resid 170  and name  HG1#)   (( resid 170  and name  HB  )) 3.069 1.269 1.269 peak 19257 weight  1.00000E+00 volume  2.03241E+06 ppm1      1.607 ppm2      0.473

ASSI {1634}   (  resid 170  and name  HG2#)   (( resid 98   and name  HB  )) 3.327 1.627 5.896 peak 20978 weight  1.00000E+00 volume  9.69342E+05 ppm1      1.693 ppm2      0.798 !2

ASSI {1635}   (  resid 96   and name  HD1#)   (  resid 170  and name  HG1#) 4.9 3.1 3.1 peak 21113 weight  1.00000E+00 volume  1.33037E+05 ppm1      0.468 ppm2     -0.539

ASSI {1636}   (( resid 171  and name  HG2 ))   (( resid 171  and name  HE21)) 3.061 1.361 1.96 peak 12459 weight  1.00000E+00 volume  6.81532E+05 ppm1      2.330 ppm2      7.705 !1

ASSI {1637}   (  resid 175  and name  HG# )   (  resid 173  and name  HE# ) 3.931 2.231 3.231 peak 12587 weight  1.00000E+00 volume  1.72387E+05 ppm1      0.549 ppm2      7.295 !1

ASSI {1638}   (  resid 173  and name  HD# )   (( resid 174  and name  HG1 )) 4.023 2.223 2.223 peak 14511 weight  1.00000E+00 volume  1.42477E+05 ppm1      1.542 ppm2      6.985

ASSI {1639}   (  resid 173  and name  HD# )   (( resid 174  and name  HG2 )) 4.082 2.282 2.282 peak 14512 weight  1.00000E+00 volume  1.29624E+05 ppm1      1.295 ppm2      6.976

ASSI {1640}   (  resid 96   and name  HG2#)   (  resid 173  and name  HE# ) 3.532 1.732 1.732 peak 18125 weight  1.00000E+00 volume  1.30536E+06 ppm1     -0.442 ppm2      7.258

ASSI {1641}   (( resid 174  and name  HB2 ))   (  resid 175  and name  HD# ) 2.804 1.104 3.135 peak 11838 weight  1.00000E+00 volume  1.44711E+06 ppm1      2.804 ppm2      1.656 !3

ASSI {1642}   (( resid 174  and name  HB2 ))   (  resid 175  and name  HG# ) 3.067 1.367 1.827 peak 12581 weight  1.00000E+00 volume  6.02609E+05 ppm1      0.558 ppm2      1.659 !1

ASSI {1643}   (( resid 174  and name  HG1 ))   (( resid 174  and name  HG2 )) 2.622 0.8215 0.8215 peak 14488 weight  1.00000E+00 volume  2.65983E+06 ppm1      1.540 ppm2      1.284

ASSI {1644}   (( resid 174  and name  HD1 ))   (( resid 174  and name  HG1 )) 3.028 1.228 1.228 peak 14495 weight  1.00000E+00 volume  7.29033E+05 ppm1      1.542 ppm2      2.159

ASSI {1645}   (( resid 174  and name  HD1 ))   (( resid 174  and name  HG2 )) 2.944 1.244 2.433 peak 14496 weight  1.00000E+00 volume  9.57796E+05 ppm1      1.281 ppm2      2.156 !1

ASSI {1646}   (( resid 174  and name  HB2 ))   (( resid 174  and name  HG2 )) 2.814 1.014 1.014 peak 15388 weight  1.00000E+00 volume  1.37900E+06 ppm1      1.670 ppm2      1.286

ASSI {1647}   (( resid 174  and name  HB1 ))   (( resid 174  and name  HG2 )) 2.877 1.077 1.077 peak 15389 weight  1.00000E+00 volume  1.13205E+06 ppm1      1.735 ppm2      1.285

ASSI {1648}   (( resid 174  and name  HB2 ))   (( resid 175  and name  HB2 )) 3.641 1.941 2.421 peak 15399 weight  1.00000E+00 volume  1.68797E+05 ppm1      1.664 ppm2      0.146 !1

ASSI {1649}   (( resid 174  and name  HD1 ))   (( resid 174  and name  HB1 )) 3.155 1.356 1.356 peak 15400 weight  1.00000E+00 volume  4.88366E+05 ppm1      1.730 ppm2      2.163

ASSI {1650}   (( resid 174  and name  HB2 ))   (( resid 174  and name  HE  )) 2.949 1.149 1.149 peak 15426 weight  1.00000E+00 volume  9.30731E+05 ppm1      1.670 ppm2      6.687

ASSI {1651}   (( resid 174  and name  HD1 ))   (( resid 174  and name  HD2 )) 2.365 0.5645 0.5645 peak 16556 weight  1.00000E+00 volume  7.09407E+06 ppm1      2.377 ppm2      2.165

ASSI {1652}   (( resid 174  and name  HD2 ))   (( resid 174  and name  HB2 )) 2.703 0.903 0.903 peak 16561 weight  1.00000E+00 volume  2.01712E+06 ppm1      2.379 ppm2      1.649

ASSI {1653}   (( resid 174  and name  HD1 ))   (( resid 174  and name  HB2 )) 2.913 1.113 1.113 peak 16562 weight  1.00000E+00 volume  1.02413E+06 ppm1      2.157 ppm2      1.650

ASSI {1654}   (( resid 174  and name  HD2 ))   (( resid 174  and name  HG2 )) 2.708 0.908 0.908 peak 16566 weight  1.00000E+00 volume  2.01882E+06 ppm1      2.378 ppm2      1.295

ASSI {1655}   (  resid 177  and name  HG# )   (( resid 174  and name  HD1 )) 4.251 2.451 2.451 peak 16571 weight  1.00000E+00 volume  1.31932E+05 ppm1      2.168 ppm2      0.587

ASSI {1656}   (  resid 177  and name  HG# )   (( resid 174  and name  HD2 )) 4.069 2.268 2.268 peak 16572 weight  1.00000E+00 volume  2.03079E+05 ppm1      2.385 ppm2      0.580

ASSI {1657}   (( resid 174  and name  HB1 ))   (( resid 174  and name  HE  )) 2.918 1.118 1.118 peak 22503 weight  1.00000E+00 volume  1.02286E+06 ppm1      1.731 ppm2      6.687

ASSI {1658}   (( resid 175  and name  HB2 ))   (  resid 175  and name  HG# ) 3.051 1.351 2.191 peak 11666 weight  1.00000E+00 volume  6.93730E+05 ppm1      0.169 ppm2      0.547 !1

ASSI {1659}   (  resid 177  and name  HG# )   (( resid 175  and name  HB2 )) 3.466 1.666 1.666 peak 11667 weight  1.00000E+00 volume  7.27926E+05 ppm1      0.171 ppm2      0.582

ASSI {1660}   (  resid 177  and name  HG# )   (( resid 175  and name  HB1 )) 3.423 1.723 2.143 peak 11669 weight  1.00000E+00 volume  8.40458E+05 ppm1      0.813 ppm2      0.583 !1

ASSI {1661}   (( resid 94   and name  HB1 ))   (( resid 175  and name  HB2 )) 3.471 1.771 2.311 peak 11672 weight  1.00000E+00 volume  2.39968E+05 ppm1      0.169 ppm2      2.765 !1

ASSI {1662}   (( resid 94   and name  HB1 ))   (( resid 175  and name  HB1 )) 3.584 1.784 1.784 peak 11673 weight  1.00000E+00 volume  1.83934E+05 ppm1      0.813 ppm2      2.769

ASSI {1663}   (  resid 94   and name  HE# )   (( resid 175  and name  HB1 )) 3.844 2.044 2.044 peak 11681 weight  1.00000E+00 volume  2.03813E+05 ppm1      0.810 ppm2      6.833

ASSI {1664}   (  resid 175  and name  HD# )   (( resid 175  and name  HB2 )) 3.458 1.658 1.658 peak 11834 weight  1.00000E+00 volume  2.62958E+05 ppm1      2.801 ppm2      0.176

ASSI {1665}   (  resid 175  and name  HD# )   (( resid 175  and name  HB1 )) 3.152 1.352 1.352 peak 11837 weight  1.00000E+00 volume  5.32151E+05 ppm1      2.801 ppm2      0.812

ASSI {1666}   (  resid 176  and name  HG2#)   (( resid 175  and name  HB2 )) 3.855 2.055 2.055 peak 12405 weight  1.00000E+00 volume  3.42690E+05 ppm1      0.767 ppm2      0.149

ASSI {1667}   (  resid 177  and name  HG# )   (  resid 175  and name  HG# ) 1.932 0.232 2.732 peak 15544 weight  1.00000E+00 volume  1.87773E+08 ppm1      0.577 ppm2      0.539 !3

ASSI {1668}   (  resid 177  and name  HG# )   (  resid 175  and name  HD# ) 3.909 2.109 2.109 peak 15577 weight  1.00000E+00 volume  2.95164E+05 ppm1      0.572 ppm2      2.804

ASSI {1669}   (( resid 94   and name  HB1 ))   (  resid 175  and name  HG# ) 3.464 1.764 2.754 peak 17632 weight  1.00000E+00 volume  2.34226E+05 ppm1      2.763 ppm2      0.537 !2

ASSI {1670}   (( resid 176  and name  HG11))   (( resid 176  and name  HG12)) 2.588 0.788 0.788 peak 11557 weight  1.00000E+00 volume  2.97577E+06 ppm1      0.888 ppm2      1.384

ASSI {1671}   (  resid 176  and name  HG2#)   (( resid 176  and name  HB  )) 2.724 0.924 0.924 peak 12409 weight  1.00000E+00 volume  5.85287E+06 ppm1      0.762 ppm2      1.616

ASSI {1672}   (( resid 89   and name  HD1 ))   (  resid 176  and name  HG2#) 3.498 1.699 1.699 peak 12415 weight  1.00000E+00 volume  7.16491E+05 ppm1      0.763 ppm2      3.615

ASSI {1673}   (  resid 96   and name  HD1#)   (( resid 176  and name  HG11)) 2.897 1.197 5.897 peak 15462 weight  1.00000E+00 volume  3.34646E+06 ppm1     -0.566 ppm2      0.880 !1

ASSI {1674}   (  resid 177  and name  HG# )   (( resid 176  and name  HB  )) 3.439 1.639 1.639 peak 15570 weight  1.00000E+00 volume  7.75144E+05 ppm1      0.566 ppm2      1.627

ASSI {1675}   (  resid 48   and name  HB# )   (  resid 176  and name  HD1#) 3.696 1.996 2.986 peak 17439 weight  1.00000E+00 volume  1.34663E+06 ppm1      0.654 ppm2      1.135 !2

ASSI {1676}   (( resid 61   and name  HB  ))   (  resid 176  and name  HD1#) 3.662 1.862 1.862 peak 17444 weight  1.00000E+00 volume  4.63893E+05 ppm1      0.659 ppm2      2.045

ASSI {1677}   (( resid 61   and name  HB  ))   (( resid 176  and name  HB  )) 2.958 1.258 4.928 peak 20111 weight  1.00000E+00 volume  8.66641E+05 ppm1      1.634 ppm2      2.067 !2

ASSI {1678}   (  resid 48   and name  HB# )   (  resid 176  and name  HG2#) 3.814 2.114 3.054 peak 21502 weight  1.00000E+00 volume  1.13779E+06 ppm1      0.764 ppm2      1.110 !1

ASSI {1679}   (  resid 177  and name  HG# )   (( resid 178  and name  HB2 )) 3.491 1.691 1.691 peak 11366 weight  1.00000E+00 volume  7.05812E+05 ppm1      1.835 ppm2      0.582

ASSI {1680}   (  resid 177  and name  HG# )   (( resid 178  and name  HB1 )) 3.604 1.804 1.804 peak 11367 weight  1.00000E+00 volume  5.17256E+05 ppm1      1.982 ppm2      0.577

ASSI {1681}   (  resid 177  and name  HG# )   (  resid 61   and name  HG2#) 2.897 1.197 4.067 peak 15543 weight  1.00000E+00 volume  1.22620E+07 ppm1      0.575 ppm2      0.687 !2

ASSI {1682}   (( resid 89   and name  HD1 ))   (  resid 177  and name  HG# ) 4.57 2.77 2.77 peak 15557 weight  1.00000E+00 volume  9.26139E+04 ppm1      0.577 ppm2      3.593

ASSI {1683}   (( resid 88   and name  HB2 ))   (  resid 177  and name  HG# ) 3.768 2.068 2.508 peak 15571 weight  1.00000E+00 volume  3.64935E+05 ppm1      0.573 ppm2      1.465 !1

ASSI {1684}   (  resid 177  and name  HG# )   (  resid 94   and name  HB# ) 3.87 2.17 2.65 peak 15576 weight  1.00000E+00 volume  3.09455E+05 ppm1      0.567 ppm2      2.741 !1

ASSI {1685}   (  resid 177  and name  HG# )   (( resid 178  and name  HG2 )) 3.383 1.683 3.223 peak 17348 weight  1.00000E+00 volume  8.90596E+05 ppm1      2.208 ppm2      0.572 !2

ASSI {1686}   (  resid 177  and name  HG# )   (( resid 178  and name  HG1 )) 3.418 1.718 2.568 peak 17349 weight  1.00000E+00 volume  7.95618E+05 ppm1      2.163 ppm2      0.573 !1

ASSI {1687}   (( resid 178  and name  HB1 ))   (( resid 178  and name  HB2 )) 2.089 0.2885 0.2885 peak 11370 weight  1.00000E+00 volume  2.54276E+07 ppm1      1.971 ppm2      1.850

ASSI {1688}   (( resid 178  and name  HB2 ))   (( resid 178  and name  HG1 )) 2.339 0.539 0.539 peak 11371 weight  1.00000E+00 volume  8.17713E+06 ppm1      1.836 ppm2      2.160

ASSI {1689}   (( resid 178  and name  HB1 ))   (( resid 178  and name  HG1 )) 2.298 0.498 0.498 peak 16977 weight  1.00000E+00 volume  9.49365E+06 ppm1      1.976 ppm2      2.155

ASSI {1690}   (( resid 63   and name  HD2 ))   (( resid 178  and name  HG1 )) 3.319 1.619 5.779 peak 18220 weight  1.00000E+00 volume  3.31597E+05 ppm1      4.150 ppm2      2.145 !2

!ASSI {1691}   (( resid 134  and name  HG2 ))   (( resid 112  and name  HB  )) 3.48 1.78 4.72 peak 14674 weight  1.00000E+00 volume  2.19358E+05 ppm1      2.147 ppm2      4.954 !4

!ASSI {1692}   (( resid 78   and name  HB2 ))   (  resid 14   and name  HD# ) 3.284 1.584 5.264 peak 13578 weight  1.00000E+00 volume  3.63767E+05 ppm1      1.654 ppm2      3.131 !5

!ASSI {1693}   (( resid 168  and name  HB1 ))   (  resid 125  and name  HG# ) 3.045 1.345 6.084 peak 16531 weight  1.00000E+00 volume  6.72750E+05 ppm1      1.721 ppm2      1.235 !2

!ASSI {1694}   (  resid 170  and name  HG1#)   (( resid 142  and name  HG  )) 2.907 1.207 6.627 peak 10847 weight  1.00000E+00 volume  3.31956E+06 ppm1      0.474 ppm2      1.572 !4

!ASSI {1695}   (( resid 37   and name  HB2 ))   (( resid 14   and name  HG1 )) 3.152 1.452 6.303 peak 18592 weight  1.00000E+00 volume  5.31774E+05 ppm1      2.759 ppm2      1.742 !3

!ASSI {1696}   (( resid 174  and name  HB1 ))   (( resid 175  and name  HE  )) 2.887 1.187 5.387 peak 15427 weight  1.00000E+00 volume  1.09012E+06 ppm1      1.733 ppm2      6.754 !7

!ASSI {1697}   (( resid 147  and name  HA2 ))   (( resid 143  and name  HB2 )) 3.474 1.774 6.755 peak 13226 weight  1.00000E+00 volume  2.06583E+05 ppm1      2.445 ppm2      4.319 !3

!ASSI {1698}   (( resid 149  and name  HG2 ))   (  resid 49   and name  HG2#) 3.784 2.084 4.574 peak 16623 weight  1.00000E+00 volume  3.62321E+05 ppm1      0.832 ppm2      2.516 !3

!ASSI {1699}   (( resid 72   and name  HB2 ))   (( resid 39   and name  HB1 )) 3.335 1.635 5.075 peak 14247 weight  1.00000E+00 volume  3.26849E+05 ppm1      2.445 ppm2      3.843 !4

!ASSI {1700}   (  resid 124  and name  HE# )   (  resid 170  and name  HG1#) 3.516 1.816 4.786 peak 11695 weight  1.00000E+00 volume  2.14464E+06 ppm1      2.025 ppm2      0.461 !5

!ASSI {1701}   (( resid 20   and name  HB1 ))   (( resid 12   and name  HB1 )) 3.473 1.773 4.673 peak 15098 weight  1.00000E+00 volume  2.31234E+05 ppm1      2.136 ppm2      1.219 !5

!ASSI {1702}   (  resid 49   and name  HG1#)   (  resid 27   and name  HB# ) 4.111 2.411 4.401 peak 16632 weight  1.00000E+00 volume  1.90966E+05 ppm1      1.077 ppm2      3.427 !2

!ASSI {1703}   (( resid 95   and name  HD1 ))   (( resid 96   and name  HG11)) 3.753 2.053 4.604 peak 21029 weight  1.00000E+00 volume  1.33965E+05 ppm1      1.682 ppm2      0.150 !4

!ASSI {1704}   (( resid 10   and name  HB2 ))   (( resid 12   and name  HB1 )) 3.124 1.424 5.804 peak 15109 weight  1.00000E+00 volume  5.20473E+05 ppm1      2.128 ppm2      3.165 !3

!ASSI {1705}   (  resid 88   and name  HD1#)   (( resid 47   and name  HZ2 )) 4.294 2.594 4.684 peak 23554 weight  1.00000E+00 volume  1.32862E+05 ppm1      0.751 ppm2      6.984 !3
!OR {1705}   (  resid 88   and name  HD1#)   (( resid 47   and name  HD1 ))

!ASSI {1706}   (( resid 151  and name  HB1 ))   (  resid 84   and name  HB# ) 3.529 1.829 4.919 peak 12321 weight  1.00000E+00 volume  2.06414E+05 ppm1      1.185 ppm2      1.701 !4

!ASSI {1707}   (( resid 61   and name  HB  ))   (( resid 151  and name  HG  )) 3.403 1.703 4.733 peak 19498 weight  1.00000E+00 volume  2.58117E+05 ppm1      2.052 ppm2      1.362 !4

!ASSI {1708}   (( resid 69   and name  HG2 ))   (( resid 17   and name  HG1 )) 2.624 0.924 5.575 peak 17974 weight  1.00000E+00 volume  2.71982E+06 ppm1      1.946 ppm2      2.258 !3
!OR {1708}   (( resid 69   and name  HG2 ))   (( resid 17   and name  HB2 ))

!ASSI {1709}   (  resid 26   and name  HB# )   (( resid 30   and name  HB1 )) 3.078 1.378 6.528 peak 15488 weight  1.00000E+00 volume  6.27634E+05 ppm1      2.708 ppm2      2.898 !3

!ASSI {1710}   (( resid 37   and name  HB1 ))   (  resid 8    and name  HG2#) 3.835 2.135 4.814 peak 17582 weight  1.00000E+00 volume  3.20067E+05 ppm1     -0.559 ppm2      2.641 !3

!ASSI {1711}   (( resid 69   and name  HB1 ))   (( resid 40   and name  HG12)) 3.385 1.685 7.545 peak 11106 weight  1.00000E+00 volume  2.76618E+05 ppm1      1.775 ppm2      0.696 !3

!ASSI {1712}   (( resid 129  and name  HB2 ))   (  resid 158  and name  HD# ) 3.593 1.893 4.433 peak 14726 weight  1.00000E+00 volume  1.83812E+05 ppm1      3.143 ppm2      4.279 !3

!ASSI {1713}   (  resid 49   and name  HG1#)   (( resid 63   and name  HB2 )) 3.899 2.199 5.629 peak 16619 weight  1.00000E+00 volume  3.03406E+05 ppm1      1.071 ppm2      2.114 !3

!ASSI {1714}   (( resid 52   and name  HG1 ))   (( resid 77   and name  HB1 )) 3.925 2.225 4.385 peak 15317 weight  1.00000E+00 volume  9.14737E+04 ppm1      3.275 ppm2      1.477 !3

!ASSI {1715}   (( resid 62   and name  HB2 ))   (  resid 85   and name  HB# ) 4.249 2.549 5.129 peak 16728 weight  1.00000E+00 volume  1.51947E+05 ppm1      0.149 ppm2      1.361 !3

!ASSI {1716}   (( resid 86   and name  HB  ))   (( resid 63   and name  HD2 )) 3.636 1.936 6.257 peak 18399 weight  1.00000E+00 volume  1.59430E+05 ppm1      1.553 ppm2      4.138 !4

!ASSI {1717}   (( resid 91   and name  HA1 ))   (( resid 93   and name  HB1 )) 3.381 1.681 5.011 peak 19952 weight  1.00000E+00 volume  2.93068E+05 ppm1      3.888 ppm2      1.954 !4

!ASSI {1718}   (( resid 91   and name  HA2 ))   (( resid 93   and name  HB2 )) 3.67 1.97 5.439 peak 19954 weight  1.00000E+00 volume  1.42629E+05 ppm1      4.167 ppm2      1.775 !4

!ASSI {1719}   (( resid 104  and name  HB1 ))   (  resid 158  and name  HG# ) 3.096 1.396 5.396 peak 13012 weight  1.00000E+00 volume  5.27763E+05 ppm1      2.949 ppm2      1.723 !4

!ASSI {1720}   (( resid 158  and name  HB2 ))   (( resid 105  and name  HB1 )) 3.441 1.741 7.101 peak 13088 weight  1.00000E+00 volume  2.52014E+05 ppm1      3.781 ppm2      1.968 !4

!ASSI {1721}   (( resid 158  and name  HB2 ))   (( resid 105  and name  HB2 )) 3.292 1.592 5.562 peak 13089 weight  1.00000E+00 volume  3.81133E+05 ppm1      3.740 ppm2      1.970 !4

!ASSI {1722}   (( resid 108  and name  HG1 ))   (( resid 106  and name  HA2 )) 3.24 1.54 6.161 peak 11067 weight  1.00000E+00 volume  4.11346E+05 ppm1      4.103 ppm2      1.445 !3

!ASSI {1723}   (( resid 134  and name  HG1 ))   (( resid 112  and name  HB  )) 3.557 1.857 4.857 peak 14673 weight  1.00000E+00 volume  1.80704E+05 ppm1      2.177 ppm2      4.953 !3

!ASSI {1724}   (  resid 116  and name  HB# )   (( resid 146  and name  HD2 )) 2.937 1.237 5.177 peak 12677 weight  1.00000E+00 volume  9.08153E+05 ppm1      1.929 ppm2      3.179 !4

!ASSI {1725}   (  resid 116  and name  HB# )   (( resid 146  and name  HD1 )) 2.822 1.122 6.572 peak 12678 weight  1.00000E+00 volume  1.31836E+06 ppm1      1.927 ppm2      3.257 !4

!ASSI {1726}   (( resid 144  and name  HB1 ))   (( resid 116  and name  HD2 )) 3.6 1.9 5.14 peak 15189 weight  1.00000E+00 volume  1.88346E+05 ppm1      3.470 ppm2      2.708 !3

!ASSI {1727}   (( resid 116  and name  HD2 ))   (( resid 122  and name  HZ  )) 3.452 1.752 5.082 peak 15224 weight  1.00000E+00 volume  2.49398E+05 ppm1      3.467 ppm2      7.157 !4

!ASSI {1728}   (( resid 160  and name  HD1 ))   (( resid 130  and name  HB2 )) 3.468 1.768 6.818 peak 13318 weight  1.00000E+00 volume  2.38295E+05 ppm1      3.046 ppm2      3.404 !3

!ASSI {1729}   (( resid 137  and name  HB1 ))   (( resid 98   and name  HG11)) 3.326 1.626 8.016 peak 12122 weight  1.00000E+00 volume  3.35313E+05 ppm1      3.057 ppm2      0.716 !3

!ASSI {1730}   (  resid 138  and name  HG2#)   (( resid 151  and name  HG  )) 3.739 2.039 4.349 peak 18198 weight  1.00000E+00 volume  3.70781E+05 ppm1      1.358 ppm2      0.316 !3

!ASSI {1731}   (( resid 178  and name  HB2 ))   (  resid 138  and name  HD1#) 3.457 1.757 4.747 peak 20731 weight  1.00000E+00 volume  7.99985E+05 ppm1      0.787 ppm2      1.846 !2

!ASSI {1732}   (( resid 151  and name  HB1 ))   (  resid 84   and name  HG# ) 2.703 1.003 6.083 peak 12848 weight  1.00000E+00 volume  2.00516E+06 ppm1      1.334 ppm2      1.160 !4

!ASSI {1733}   (( resid 174  and name  HB2 ))   (  resid 96   and name  HG2#) 3.591 1.891 5.392 peak 18105 weight  1.00000E+00 volume  5.97188E+05 ppm1     -0.441 ppm2      1.656 !3

!ASSI {1734}   (( resid 12   and name  HB2 ))   (( resid 39   and name  HB2 )) 3.487 1.787 6.217 peak 15116 weight  1.00000E+00 volume  2.22623E+05 ppm1      2.228 ppm2      4.331 !3

!ASSI {1735}   (( resid 18   and name  HA2 ))   (( resid 38   and name  HB2 )) 3.513 1.813 5.233 peak 18837 weight  1.00000E+00 volume  2.06706E+05 ppm1      2.775 ppm2      4.498 !4

!ASSI {1736}   (( resid 37   and name  HB1 ))   (( resid 20   and name  HB1 )) 3.548 1.848 6.368 peak 18599 weight  1.00000E+00 volume  1.90105E+05 ppm1      2.618 ppm2      1.207 !4

!ASSI {1737}   (  resid 30   and name  HD# )   (( resid 12   and name  HG2 )) 3.833 2.133 5.094 peak 19123 weight  1.00000E+00 volume  2.06894E+05 ppm1      2.741 ppm2      6.872 !3

!ASSI {1738}   (( resid 20   and name  HB1 ))   (( resid 39   and name  HB2 )) 3.829 2.129 4.279 peak 13751 weight  1.00000E+00 volume  1.19205E+05 ppm1      1.231 ppm2      4.317 !3

!ASSI {1739}   (( resid 40   and name  HG12))   (( resid 47   and name  HB1 )) 3.442 1.742 5.132 peak 12012 weight  1.00000E+00 volume  2.49676E+05 ppm1      2.933 ppm2      0.712 !3

!ASSI {1740}   (( resid 65   and name  HA1 ))   (  resid 46   and name  HG2#) 4.006 2.306 4.236 peak 19477 weight  1.00000E+00 volume  2.17788E+05 ppm1      4.257 ppm2      0.894 !2

!ASSI {1741}   (( resid 60   and name  HB2 ))   (( resid 51   and name  HG2 )) 3.564 1.864 6.584 peak 16284 weight  1.00000E+00 volume  1.86465E+05 ppm1      3.215 ppm2      1.994 !3

!ASSI {1742}   (( resid 91   and name  HA1 ))   (( resid 93   and name  HB2 )) 3.529 1.829 5.259 peak 19953 weight  1.00000E+00 volume  1.97559E+05 ppm1      3.888 ppm2      1.775 !3

!ASSI {1743}   (  resid 133  and name  HD# )   (( resid 110  and name  HG2 )) 3.901 2.201 6.131 peak 18907 weight  1.00000E+00 volume  2.75132E+05 ppm1      2.079 ppm2      0.749 !4

!ASSI {1744}   (  resid 133  and name  HD# )   (  resid 112  and name  HG2#) 3.982 2.282 4.132 peak 12816 weight  1.00000E+00 volume  7.81061E+05 ppm1      1.492 ppm2      0.737 !2

!ASSI {1745}   (( resid 127  and name  HG11))   (( resid 115  and name  HB2 )) 3.412 1.712 5.071 peak 19293 weight  1.00000E+00 volume  2.25473E+05 ppm1      1.042 ppm2      0.856 !3

!ASSI {1746}   (( resid 124  and name  HB2 ))   (( resid 126  and name  HB1 )) 2.846 1.146 5.676 peak 13779 weight  1.00000E+00 volume  1.31143E+06 ppm1      1.709 ppm2      1.995 !3

!ASSI {1747}   (( resid 130  and name  HB1 ))   (( resid 158  and name  HB2 )) 3.55 1.85 6.23 peak 19733 weight  1.00000E+00 volume  1.89475E+05 ppm1      2.816 ppm2      1.982 !3

!ASSI {1748}   (( resid 96   and name  HG12))   (  resid 131  and name  HE# ) 3.327 1.627 5.706 peak 14970 weight  1.00000E+00 volume  3.42817E+05 ppm1      3.049 ppm2      0.893 !3

!ASSI {1749}   (( resid 139  and name  HB2 ))   (( resid 174  and name  HB2 )) 2.901 1.201 8.211 peak 21371 weight  1.00000E+00 volume  1.00746E+06 ppm1      1.678 ppm2      2.984 !3

!ASSI {1750}   (  resid 142  and name  HB# )   (( resid 145  and name  HB1 )) 3.852 2.152 4.242 peak 18628 weight  1.00000E+00 volume  9.44128E+04 ppm1      2.938 ppm2      1.450 !3

!ASSI {1751}   (( resid 167  and name  HB2 ))   (( resid 148  and name  HD1 )) 3.413 1.713 5.683 peak 17308 weight  1.00000E+00 volume  2.65025E+05 ppm1      3.775 ppm2      3.250 !4

!ASSI {1752}   (( resid 150  and name  HB2 ))   (( resid 173  and name  HB2 )) 3.864 2.164 4.853 peak 20147 weight  1.00000E+00 volume  1.02326E+05 ppm1      3.564 ppm2      3.743 !3

!ASSI {1753}   (( resid 178  and name  HB1 ))   (( resid 86   and name  HB  )) 3.054 1.354 5.584 peak 18393 weight  1.00000E+00 volume  6.47966E+05 ppm1      1.559 ppm2      1.986 !4

!ASSI {1754}   (( resid 41   and name  HB2 ))   (( resid 20   and name  HG2 )) 3.327 1.627 5.867 peak 12766 weight  1.00000E+00 volume  3.20932E+05 ppm1      1.110 ppm2      1.666 !3
!OR {1754}   (( resid 41   and name  HE2 ))   (( resid 20   and name  HG2 ))

!ASSI {1755}   (( resid 41   and name  HB2 ))   (( resid 20   and name  HG1 )) 2.617 0.917 7.817 peak 12768 weight  1.00000E+00 volume  2.35356E+06 ppm1      1.465 ppm2      1.690 !3
!OR {1755}   (( resid 41   and name  HE2 ))   (( resid 20   and name  HG1 ))

!ASSI {1756}   (( resid 60   and name  HB2 ))   (( resid 148  and name  HB1 )) 3.404 1.704 5.064 peak 16286 weight  1.00000E+00 volume  2.73689E+05 ppm1      3.222 ppm2      1.667 !2

!ASSI {1757}   (( resid 167  and name  HB1 ))   (( resid 148  and name  HD1 )) 3.519 1.819 5.94 peak 23067 weight  1.00000E+00 volume  2.17849E+05 ppm1      4.155 ppm2      3.247 !3

!ASSI {1758}   (( resid 52   and name  HB1 ))   (  resid 30   and name  HE# ) 4.08 2.38 5.49 peak 13970 weight  1.00000E+00 volume  1.37016E+05 ppm1      1.232 ppm2      6.375 !3

!ASSI {1759}   (  resid 58   and name  HD# )   (( resid 52   and name  HB1 )) 3.965 2.265 4.945 peak 13972 weight  1.00000E+00 volume  1.60018E+05 ppm1      1.230 ppm2      7.230 !3

!ASSI {1760}   (( resid 52   and name  HD1 ))   (  resid 58   and name  HE# ) 3.069 1.369 5.369 peak 17208 weight  1.00000E+00 volume  1.31168E+06 ppm1      2.996 ppm2      6.826 !4

!ASSI {1761}   (  resid 126  and name  HG# )   (( resid 124  and name  HG1 )) 3.244 1.544 4.984 peak 14182 weight  1.00000E+00 volume  4.20995E+05 ppm1      2.204 ppm2      2.611 !3

!ASSI {1762}   (( resid 95   and name  HE2 ))   (  resid 133  and name  HD# ) 3.22 1.52 4.89 peak 17063 weight  1.00000E+00 volume  1.19786E+06 ppm1      2.879 ppm2      0.738 !4

!ASSI {1763}   (( resid 148  and name  HD1 ))   (  resid 76   and name  HD2#) 3.611 1.911 4.621 peak 12516 weight  1.00000E+00 volume  5.27846E+05 ppm1      3.263 ppm2      0.592 !3

!ASSI {1764}   (( resid 19   and name  HG2 ))   (( resid 10   and name  HB2 )) 3.155 1.455 6.975 peak 13191 weight  1.00000E+00 volume  5.35472E+05 ppm1      1.926 ppm2      3.156 !3

!ASSI {1765}   (( resid 40   and name  HG11))   (( resid 49   and name  HB  )) 3.614 1.914 4.854 peak 19993 weight  1.00000E+00 volume  1.67337E+05 ppm1      1.395 ppm2      2.273 !3

!ASSI {1766}   (( resid 65   and name  HA2 ))   (  resid 46   and name  HG2#) 3.368 1.668 5.548 peak 19476 weight  1.00000E+00 volume  9.00622E+05 ppm1      3.898 ppm2      0.909 !3

!ASSI {1767}   (  resid 62   and name  HD1#)   (  resid 58   and name  HB# ) 4.139 2.439 5.81 peak 19654 weight  1.00000E+00 volume  1.95320E+05 ppm1      0.281 ppm2      2.909 !3

!ASSI {1768}   (( resid 61   and name  HB  ))   (  resid 88   and name  HD2#) 3.258 1.558 6.088 peak 19500 weight  1.00000E+00 volume  1.19839E+06 ppm1      2.055 ppm2      0.804 !2

!ASSI {1769}   (  resid 9    and name  HG2#)   (( resid 67   and name  HB1 )) 3.856 2.156 5.066 peak 11728 weight  1.00000E+00 volume  2.77510E+05 ppm1      0.546 ppm2      3.801 !3

!ASSI {1770}   (( resid 108  and name  HG2 ))   (( resid 106  and name  HA1 )) 3.664 1.964 6.084 peak 15908 weight  1.00000E+00 volume  1.45978E+05 ppm1      1.408 ppm2      3.836 !3

!ASSI {1771}   (( resid 138  and name  HG11))   (( resid 63   and name  HD1 )) 2.741 1.041 5.451 peak 18226 weight  1.00000E+00 volume  1.71474E+06 ppm1      3.663 ppm2      1.470 !4

!ASSI {1772}   (( resid 157  and name  HB2 ))   (( resid 158  and name  HE  )) 3.817 2.117 5.977 peak 21190 weight  1.00000E+00 volume  1.15033E+05 ppm1      2.793 ppm2      7.488 !4

!ASSI {1773}   (( resid 178  and name  HB2 ))   (  resid 90   and name  HB# ) 3.213 1.513 6.653 peak 20243 weight  1.00000E+00 volume  4.46304E+05 ppm1      3.883 ppm2      1.828 !3

!ASSI {1774}   (  resid 30   and name  HD# )   (  resid 19   and name  HD# ) 2.94 1.24 5.3 peak 11238 weight  1.00000E+00 volume  1.93319E+06 ppm1      3.349 ppm2      6.864 !4

!ASSI {1775}   (( resid 41   and name  HB2 ))   (  resid 22   and name  HB# ) 3.382 1.682 5.312 peak 14761 weight  1.00000E+00 volume  2.63888E+05 ppm1      2.181 ppm2      1.686 !3

!ASSI {1776}   (  resid 9    and name  HG2#)   (  resid 66   and name  HB# ) 3.832 2.132 4.432 peak 13052 weight  1.00000E+00 volume  3.00517E+05 ppm1      1.991 ppm2      0.559 !3

!ASSI {1777}   (( resid 68   and name  HD2 ))   (  resid 74   and name  HE# ) 4.07 2.37 4.79 peak 16923 weight  1.00000E+00 volume  2.04201E+05 ppm1      3.923 ppm2      2.413 !3

!ASSI {1778}   (( resid 95   and name  HE1 ))   (  resid 133  and name  HD# ) 3.429 1.729 4.68 peak 17062 weight  1.00000E+00 volume  8.16779E+05 ppm1      2.759 ppm2      0.746 !3

!ASSI {1779}   (  resid 62   and name  HD2#)   (( resid 149  and name  HB1 )) 4.153 2.453 5.543 peak 19643 weight  1.00000E+00 volume  1.91004E+05 ppm1     -0.239 ppm2      1.757 !3

!ASSI {1780}   (( resid 167  and name  HB1 ))   (( resid 160  and name  HD1 )) 3.325 1.625 5.065 peak 17305 weight  1.00000E+00 volume  3.50298E+05 ppm1      4.157 ppm2      3.423 !3

!ASSI {1781}   (( resid 176  and name  HG11))   (  resid 63   and name  HG# ) 2.931 1.231 5.431 peak 12298 weight  1.00000E+00 volume  9.69422E+05 ppm1      1.998 ppm2      0.876 !3

!ASSI {1782}   (( resid 8    and name  HB  ))   (( resid 23   and name  HB1 )) 3.723 2.023 4.343 peak 13309 weight  1.00000E+00 volume  1.57805E+05 ppm1      2.441 ppm2     -0.356 !3

!ASSI {1783}   (  resid 34   and name  HD1#)   (( resid 79   and name  HB2 )) 3.106 1.406 7.336 peak 18996 weight  1.00000E+00 volume  1.91857E+06 ppm1      0.869 ppm2      1.899 !4

!ASSI {1784}   (( resid 52   and name  HD1 ))   (  resid 76   and name  HD1#) 4.178 2.478 4.308 peak 18049 weight  1.00000E+00 volume  1.66030E+05 ppm1      2.988 ppm2      0.750 !2

!ASSI {1785}   (( resid 68   and name  HD1 ))   (  resid 74   and name  HE# ) 3.998 2.298 6.028 peak 16924 weight  1.00000E+00 volume  2.37126E+05 ppm1      3.823 ppm2      2.418 !4

!ASSI {1786}   (( resid 126  and name  HB2 ))   (( resid 100  and name  HB2 )) 2.49 0.79 5.92 peak 17223 weight  1.00000E+00 volume  3.79671E+06 ppm1      2.457 ppm2      2.107 !3

!ASSI {1787}   (( resid 108  and name  HG1 ))   (( resid 106  and name  HA1 )) 3.527 1.827 4.897 peak 15907 weight  1.00000E+00 volume  2.10673E+05 ppm1      1.459 ppm2      3.835 !2

!ASSI {1788}   (( resid 63   and name  HD1 ))   (  resid 136  and name  HG1#) 3.365 1.665 5.145 peak 18231 weight  1.00000E+00 volume  8.61014E+05 ppm1      3.660 ppm2      0.987 !3

!ASSI {1789}   (  resid 172  and name  HB# )   (( resid 147  and name  HA1 )) 2.449 0.749 6.009 peak 16442 weight  1.00000E+00 volume  5.34928E+06 ppm1      3.894 ppm2      4.230 !4

!ASSI {1790}   (  resid 19   and name  HD# )   (( resid 10   and name  HB1 )) 3.546 1.846 5.446 peak 11221 weight  1.00000E+00 volume  2.01766E+05 ppm1      3.349 ppm2      2.581 !3

!ASSI {1791}   (( resid 18   and name  HA2 ))   (( resid 20   and name  HG2 )) 3.787 2.087 4.946 peak 17004 weight  1.00000E+00 volume  1.22968E+05 ppm1      4.508 ppm2      1.100 !3

!ASSI {1792}   (( resid 44   and name  HA2 ))   (  resid 85   and name  HB# ) 3.739 2.039 5.018 peak 16735 weight  1.00000E+00 volume  4.09362E+05 ppm1      0.142 ppm2      4.092 !3

!ASSI {1793}   (  resid 94   and name  HD# )   (( resid 92   and name  HA2 )) 4.0 2.3 4.49 peak 16035 weight  1.00000E+00 volume  1.48667E+05 ppm1      3.946 ppm2      6.623 !2

!ASSI {1794}   (( resid 113  and name  HB1 ))   (( resid 174  and name  HB2 )) 2.811 1.111 6.811 peak 17403 weight  1.00000E+00 volume  1.42587E+06 ppm1      2.359 ppm2      1.664 !3

!ASSI {1795}   (( resid 141  and name  HG1 ))   (  resid 58   and name  HE# ) 3.573 1.873 4.943 peak 17879 weight  1.00000E+00 volume  3.70732E+05 ppm1      2.653 ppm2      6.834 !3

!ASSI {1796}   (( resid 147  and name  HA1 ))   (  resid 58   and name  HE# ) 3.244 1.544 4.764 peak 16449 weight  1.00000E+00 volume  8.23617E+05 ppm1      3.880 ppm2      6.834 !3

!ASSI {1797}   (( resid 94   and name  HB1 ))   (( resid 89   and name  HB1 )) 3.561 1.861 4.67 peak 22290 weight  1.00000E+00 volume  1.87894E+05 ppm1      2.012 ppm2      2.776 !3

!ASSI {1798}   (  resid 177  and name  HG# )   (  resid 151  and name  HD# ) 3.625 1.925 5.205 peak 10564 weight  1.00000E+00 volume  1.51321E+06 ppm1      0.762 ppm2      0.585 !3

!ASSI {1799}   (( resid 12   and name  HG1 ))   (( resid 78   and name  HB2 )) 3.417 1.717 5.997 peak 19101 weight  1.00000E+00 volume  2.45928E+05 ppm1      2.799 ppm2      3.126 !3

!ASSI {1800}   (( resid 69   and name  HB1 ))   (( resid 15   and name  HB1 )) 3.108 1.408 5.568 peak 11112 weight  1.00000E+00 volume  5.59504E+05 ppm1      1.766 ppm2      2.519 !3

!ASSI {1801}   (( resid 20   and name  HG1 ))   (( resid 17   and name  HG2 )) 3.508 1.808 6.658 peak 12770 weight  1.00000E+00 volume  2.23382E+05 ppm1      1.464 ppm2      2.345 !3

!ASSI {1802}   (  resid 49   and name  HG2#)   (  resid 27   and name  HB# ) 4.171 2.471 5.311 peak 16631 weight  1.00000E+00 volume  1.71388E+05 ppm1      0.836 ppm2      3.434 !2

!ASSI {1803}   (  resid 34   and name  HD1#)   (  resid 79   and name  HG# ) 3.096 1.396 6.026 peak 11401 weight  1.00000E+00 volume  1.81396E+06 ppm1      0.864 ppm2      1.614 !3

!ASSI {1804}   (( resid 39   and name  HB2 ))   (  resid 42   and name  HG1#) 2.882 1.182 8.102 peak 23556 weight  1.00000E+00 volume  3.38443E+06 ppm1      0.742 ppm2      4.312 !4

!ASSI {1805}   (( resid 52   and name  HD1 ))   (( resid 77   and name  HB1 )) 3.009 1.309 5.079 peak 18036 weight  1.00000E+00 volume  7.64473E+05 ppm1      2.987 ppm2      3.292 !3

!ASSI {1806}   (( resid 75   and name  HA1 ))   (( resid 78   and name  HB2 )) 3.656 1.956 5.276 peak 13387 weight  1.00000E+00 volume  1.57868E+05 ppm1      2.863 ppm2      3.117 !4

!ASSI {1807}   (( resid 126  and name  HB2 ))   (( resid 100  and name  HB1 )) 2.622 0.922 5.861 peak 17225 weight  1.00000E+00 volume  2.46512E+06 ppm1      2.315 ppm2      2.110 !3

!ASSI {1808}   (( resid 102  and name  HA1 ))   (( resid 126  and name  HB2 )) 3.21 1.51 5.6 peak 14816 weight  1.00000E+00 volume  4.29208E+05 ppm1      3.852 ppm2      2.119 !3

!ASSI {1809}   (( resid 128  and name  HB2 ))   (  resid 104  and name  HE# ) 3.725 2.025 4.585 peak 13235 weight  1.00000E+00 volume  2.86055E+05 ppm1      3.155 ppm2      7.231 !2

!ASSI {1810}   (( resid 160  and name  HG2 ))   (( resid 129  and name  HB1 )) 3.598 1.898 5.708 peak 11529 weight  1.00000E+00 volume  1.77999E+05 ppm1      4.506 ppm2      1.745 !3

!ASSI {1811}   (( resid 130  and name  HB1 ))   (( resid 97   and name  HG2 )) 3.595 1.895 5.514 peak 19732 weight  1.00000E+00 volume  1.83816E+05 ppm1      2.808 ppm2      2.170 !2

!ASSI {1812}   (( resid 138  and name  HG12))   (( resid 174  and name  HB2 )) 3.34 1.64 5.009 peak 10543 weight  1.00000E+00 volume  3.40883E+05 ppm1      0.661 ppm2      1.676 !3

!ASSI {1813}   (( resid 171  and name  HG1 ))   (  resid 139  and name  HD# ) 4.184 2.484 5.315 peak 12455 weight  1.00000E+00 volume  1.19814E+05 ppm1      2.547 ppm2      6.184 !2

!ASSI {1814}   (  resid 170  and name  HG1#)   (  resid 142  and name  HD2#) 3.819 2.119 5.089 peak 10993 weight  1.00000E+00 volume  1.00716E+06 ppm1      0.903 ppm2      0.477 !3

!ASSI {1815}   (( resid 163  and name  HB2 ))   (( resid 148  and name  HE  )) 3.857 2.157 5.047 peak 17486 weight  1.00000E+00 volume  1.08545E+05 ppm1      3.277 ppm2      7.532 !3

!ASSI {1816}   (( resid 163  and name  HB2 ))   (( resid 160  and name  HG1 )) 2.835 1.135 7.875 peak 13251 weight  1.00000E+00 volume  1.31135E+06 ppm1      1.491 ppm2      3.268 !3

!ASSI {1817}   (( resid 167  and name  HB2 ))   (( resid 160  and name  HD1 )) 3.312 1.612 5.673 peak 17306 weight  1.00000E+00 volume  3.41869E+05 ppm1      3.773 ppm2      3.414 !3

!ASSI {1818}   (( resid 174  and name  HD2 ))   (( resid 173  and name  HB1 )) 3.588 1.888 4.498 peak 17806 weight  1.00000E+00 volume  1.79129E+05 ppm1      3.517 ppm2      2.384 !2

!ASSI {1819}   (  resid 62   and name  HD1#)   (  resid 151  and name  HD# ) 4.304 2.604 4.275 peak 10560 weight  1.00000E+00 volume  3.97189E+05 ppm1      0.760 ppm2      0.263 !2

!ASSI {1820}   (( resid 168  and name  HB1 ))   (( resid 162  and name  HB1 )) 3.389 1.689 5.55 peak 18689 weight  1.00000E+00 volume  2.78592E+05 ppm1      3.294 ppm2      1.227 !3

!ASSI {1821}   (( resid 78   and name  HB2 ))   (( resid 13   and name  HB1 )) 3.575 1.875 5.686 peak 15691 weight  1.00000E+00 volume  1.92197E+05 ppm1      2.333 ppm2      3.144 !3

!ASSI {1822}   (( resid 40   and name  HG12))   (( resid 47   and name  HB2 )) 3.381 1.681 4.801 peak 21399 weight  1.00000E+00 volume  2.81306E+05 ppm1      2.677 ppm2      0.712 !3

!ASSI {1823}   (( resid 78   and name  HB2 ))   (  resid 49   and name  HG2#) 4.336 2.636 6.106 peak 20261 weight  1.00000E+00 volume  1.20088E+05 ppm1      3.133 ppm2      0.840 !3

!ASSI {1824}   (( resid 118  and name  HG11))   (( resid 114  and name  HB2 )) 3.513 1.813 5.183 peak 13600 weight  1.00000E+00 volume  2.17429E+05 ppm1      1.055 ppm2      2.536 !3

!ASSI {1825}   (( resid 117  and name  HB2 ))   (  resid 142  and name  HD1#) 4.411 2.711 6.421 peak 16689 weight  1.00000E+00 volume  1.24552E+05 ppm1      3.518 ppm2      0.975 !3

!ASSI {1826}   (( resid 95   and name  HB2 ))   (( resid 133  and name  HG  )) 2.907 1.207 7.377 peak 20973 weight  1.00000E+00 volume  9.95784E+05 ppm1      1.528 ppm2      2.074 !4

!ASSI {1827}   (( resid 133  and name  HB1 ))   (( resid 94   and name  HB1 )) 3.08 1.38 7.13 peak 23197 weight  1.00000E+00 volume  6.22626E+05 ppm1      2.768 ppm2      1.717 !3

!ASSI {1828}   (  resid 152  and name  HD# )   (( resid 163  and name  HZ2 )) 3.583 1.883 5.053 peak 15480 weight  1.00000E+00 volume  5.66709E+05 ppm1     -0.567 ppm2      7.278 !3

!ASSI {1829}   (( resid 11   and name  HB1 ))   (( resid 67   and name  HB1 )) 2.915 1.215 7.435 peak 18433 weight  1.00000E+00 volume  1.00432E+06 ppm1      3.216 ppm2      3.807 !4

!ASSI {1830}   (( resid 14   and name  HB2 ))   (( resid 72   and name  HB2 )) 3.092 1.392 7.162 peak 14239 weight  1.00000E+00 volume  6.31091E+05 ppm1      2.440 ppm2      1.692 !3

!ASSI {1831}   (( resid 18   and name  HA2 ))   (( resid 38   and name  HB1 )) 3.329 1.629 6.709 peak 18839 weight  1.00000E+00 volume  3.32899E+05 ppm1      2.332 ppm2      4.484 !4

!ASSI {1832}   (( resid 74   and name  HG1 ))   (( resid 71   and name  HG2 )) 3.462 1.762 7.412 peak 14847 weight  1.00000E+00 volume  2.40741E+05 ppm1      2.876 ppm2      2.090 !3

!ASSI {1833}   (  resid 61   and name  HD1#)   (( resid 145  and name  HB2 )) 3.331 1.631 7.721 peak 14742 weight  1.00000E+00 volume  1.04427E+06 ppm1      0.664 ppm2      1.875 !3

!ASSI {1834}   (  resid 48   and name  HB# )   (( resid 149  and name  HG1 )) 3.892 2.192 6.292 peak 19382 weight  1.00000E+00 volume  3.15262E+05 ppm1      1.114 ppm2      2.314 !3

!ASSI {1835}   (( resid 178  and name  HG2 ))   (( resid 4    and name  HB  )) 3.568 1.868 8.148 peak 14192 weight  1.00000E+00 volume  2.03843E+05 ppm1      4.283 ppm2      2.204 !2

!ASSI {1836}   (( resid 14   and name  HB2 ))   (( resid 72   and name  HB1 )) 3.135 1.435 8.005 peak 14240 weight  1.00000E+00 volume  5.38421E+05 ppm1      2.564 ppm2      1.691 !3

!ASSI {1837}   (( resid 18   and name  HA2 ))   (( resid 39   and name  HB1 )) 2.553 0.853 7.532 peak 16988 weight  1.00000E+00 volume  3.39313E+06 ppm1      4.500 ppm2      3.822 !3

!!ASSI {1838}   (( resid 18   and name  HA2 ))   (( resid 39   and name  HB2 )) 3.085 1.385 7.114 peak 21776 weight  1.00000E+00 volume  6.12025E+05 ppm1      4.312 ppm2      4.481 !3

!ASSI {1839}   (( resid 34   and name  HB1 ))   (( resid 20   and name  HG2 )) 3.358 1.658 6.668 peak 14135 weight  1.00000E+00 volume  3.38328E+05 ppm1      1.874 ppm2      1.096 !3

!ASSI {1840}   (( resid 23   and name  HB2 ))   (( resid 47   and name  HB2 )) 3.105 1.405 6.975 peak 13291 weight  1.00000E+00 volume  6.32385E+05 ppm1      3.037 ppm2      2.649 !3

!ASSI {1841}   (( resid 23   and name  HB1 ))   (( resid 47   and name  HB2 )) 3.255 1.555 7.215 peak 13292 weight  1.00000E+00 volume  4.17327E+05 ppm1      2.450 ppm2      2.663 !3

!!ASSI {1842}   (( resid 36   and name  HD2 ))   (  resid 76   and name  HD2#) 3.754 2.054 8.044 peak 11214 weight  1.00000E+00 volume  3.84177E+05 ppm1      3.140 ppm2      0.600 !3

!ASSI {1843}   (( resid 36   and name  HD2 ))   (( resid 81   and name  HB2 )) 2.902 1.202 10.02 peak 19135 weight  1.00000E+00 volume  1.29036E+06 ppm1      2.974 ppm2      3.139 !3

!ASSI {1844}   (( resid 8    and name  HG12))   (( resid 39   and name  HB1 )) 3.887 2.187 7.377 peak 13157 weight  1.00000E+00 volume  9.36054E+04 ppm1      3.829 ppm2     -0.783 !3

!ASSI {1845}   (( resid 8    and name  HG12))   (( resid 39   and name  HB2 )) 3.925 2.225 6.155 peak 13158 weight  1.00000E+00 volume  9.08850E+04 ppm1      4.316 ppm2     -0.786 !3

!ASSI {1846}   (( resid 75   and name  HA2 ))   (( resid 49   and name  HB  )) 3.405 1.705 6.725 peak 21335 weight  1.00000E+00 volume  2.79094E+05 ppm1      2.309 ppm2      3.683 !3

!ASSI {1847}   (( resid 64   and name  HG1 ))   (( resid 7    and name  HG1 )) 2.845 1.145 7.865 peak 10933 weight  1.00000E+00 volume  1.38051E+06 ppm1      1.163 ppm2      2.300 !3

!ASSI {1848}   (( resid 102  and name  HA1 ))   (( resid 130  and name  HB2 )) 3.716 2.016 6.417 peak 13322 weight  1.00000E+00 volume  1.50171E+05 ppm1      3.043 ppm2      3.864 !3

!ASSI {1849}   (( resid 174  and name  HD1 ))   (( resid 116  and name  HG1 )) 3.274 1.574 7.104 peak 15162 weight  1.00000E+00 volume  3.65194E+05 ppm1      1.899 ppm2      2.182 !3

!ASSI {1850}   (( resid 144  and name  HB1 ))   (( resid 120  and name  HB1 )) 3.449 1.749 6.759 peak 15524 weight  1.00000E+00 volume  2.45041E+05 ppm1      1.959 ppm2      2.730 !3

!ASSI {1851}   (( resid 74   and name  HB2 ))   (( resid 145  and name  HB1 )) 3.204 1.504 7.314 peak 23536 weight  1.00000E+00 volume  4.18346E+05 ppm1      2.951 ppm2      2.790 !4

!ASSI {1852}   (( resid 157  and name  HB1 ))   (( resid 97   and name  HG1 )) 3.516 1.816 9.326 peak 12803 weight  1.00000E+00 volume  2.10865E+05 ppm1      3.183 ppm2      2.212 !2

!!ASSI {1853}   (( resid 168  and name  HB2 ))   (( resid 162  and name  HB1 )) 3.237 1.537 6.957 peak 18325 weight  1.00000E+00 volume  4.11343E+05 ppm1      1.674 ppm2      3.292 !3

!ASSI {1854}   (( resid 163  and name  HB2 ))   (( resid 173  and name  HB2 )) 3.889 2.189 6.459 peak 17472 weight  1.00000E+00 volume  1.01842E+05 ppm1      3.284 ppm2      3.743 !3

!ASSI {1855}   (( resid 36   and name  HD2 ))   (( resid 81   and name  HB1 )) 2.878 1.178 8.098 peak 19134 weight  1.00000E+00 volume  1.21630E+06 ppm1      3.318 ppm2      3.154 !2

!ASSI {1856}   (  resid 34   and name  HD1#)   (  resid 42   and name  HG1#) 3.021 1.321 7.13 peak 19001 weight  1.00000E+00 volume  7.12626E+06 ppm1      0.869 ppm2      0.739 !1

ASSI {0}   (  resid 7    and name  HG# )   (( resid 6    and name  HN  )) 3.091 1.391 5.041 peak   135 weight  1.00000E+00 volume  3.29006E+05 ppm1      1.182 ppm2      8.166 !3

ASSI {1}   (  resid 7    and name  HB# )   (( resid 6    and name  HA  )) 3.211 1.411 1.411 peak  1207 weight  1.00000E+00 volume  2.41568E+05 ppm1      4.538 ppm2      1.683

ASSI {2}   (( resid 6    and name  HA  ))   (( resid 6    and name  HB  )) 2.573 0.773 0.773 peak  2926 weight  1.00000E+00 volume  1.84464E+06 ppm1      4.078 ppm2      4.532

ASSI {3}   (( resid 7    and name  HA  ))   (( resid 6    and name  HB  )) 3.249 1.549 2.819 peak  2928 weight  1.00000E+00 volume  2.31674E+05 ppm1      4.080 ppm2      4.988 !2

ASSI {4}   (( resid 20   and name  HB1 ))   (( resid 10   and name  HN  )) 3.41 1.71 2.33 peak   810 weight  1.00000E+00 volume  1.59769E+05 ppm1      1.214 ppm2      8.646 !1

ASSI {5}   (( resid 10   and name  HA  ))   (  resid 11   and name  HD# ) 3.391 1.591 1.591 peak  1009 weight  1.00000E+00 volume  3.16831E+05 ppm1      4.638 ppm2      6.713

ASSI {6}   (( resid 11   and name  HB2 ))   (( resid 39   and name  HA  )) 3.258 1.458 1.458 peak   495 weight  1.00000E+00 volume  2.34220E+05 ppm1      5.023 ppm2      3.362

ASSI {7}   (( resid 20   and name  HG2 ))   (( resid 11   and name  HA  )) 3.366 1.666 2.676 peak  1678 weight  1.00000E+00 volume  1.62534E+05 ppm1      5.467 ppm2      1.061 !2

ASSI {8}   (( resid 12   and name  HA  ))   (( resid 34   and name  HG  )) 2.994 1.193 1.193 peak  1781 weight  1.00000E+00 volume  4.07419E+05 ppm1      1.690 ppm2      4.709

ASSI {9}   (( resid 17   and name  HA  ))   (( resid 13   and name  HA  )) 3.079 1.379 4.049 peak   102 weight  1.00000E+00 volume  3.28592E+05 ppm1      5.403 ppm2      4.589 !2

ASSI {10}   (( resid 69   and name  HG2 ))   (( resid 13   and name  HA  )) 3.193 1.493 4.693 peak   105 weight  1.00000E+00 volume  2.59880E+05 ppm1      5.401 ppm2      1.985 !3

ASSI {11}   (  resid 34   and name  HD2#)   (( resid 13   and name  HA  )) 4.03 2.33 3.51 peak   106 weight  1.00000E+00 volume  1.16238E+05 ppm1      5.397 ppm2      0.735 !2

ASSI {12}   (( resid 13   and name  HA  ))   (( resid 17   and name  HB2 )) 3.385 1.685 3.885 peak  1136 weight  1.00000E+00 volume  1.55251E+05 ppm1      2.269 ppm2      5.392 !4

ASSI {13}   (( resid 17   and name  HN  ))   (( resid 39   and name  HB2 )) 3.541 1.741 1.741 peak   678 weight  1.00000E+00 volume  1.05618E+05 ppm1      4.318 ppm2      6.231

ASSI {14}   (  resid 19   and name  HD# )   (( resid 20   and name  HN  )) 3.248 1.448 1.448 peak   173 weight  1.00000E+00 volume  2.25959E+05 ppm1      3.342 ppm2      8.129

ASSI {15}   (  resid 34   and name  HD2#)   (( resid 19   and name  HA  )) 3.925 2.225 2.665 peak  2354 weight  1.00000E+00 volume  1.56509E+05 ppm1      0.801 ppm2      4.174 !1

ASSI {16}   (  resid 20   and name  HD# )   (( resid 20   and name  HA  )) 3.324 1.523 1.523 peak  1683 weight  1.00000E+00 volume  1.82851E+05 ppm1      5.719 ppm2      3.027

ASSI {17}   (( resid 21   and name  HB2 ))   (( resid 33   and name  HA  )) 2.956 1.256 2.726 peak  1724 weight  1.00000E+00 volume  4.70935E+05 ppm1      4.431 ppm2      2.442 !2

ASSI {18}   (( resid 21   and name  HB2 ))   (( resid 34   and name  HA  )) 3.004 1.304 2.674 peak  1932 weight  1.00000E+00 volume  4.49348E+05 ppm1      4.617 ppm2      2.356 !2

ASSI {19}   (  resid 34   and name  HD2#)   (( resid 21   and name  HA  )) 3.885 2.085 2.085 peak  2234 weight  1.00000E+00 volume  1.57329E+05 ppm1      4.640 ppm2      0.740

ASSI {20}   (( resid 21   and name  HA  ))   (( resid 21   and name  HN  )) 3.2 1.4 1.4 peak  2239 weight  1.00000E+00 volume  2.38872E+05 ppm1      4.656 ppm2      8.939

ASSI {21}   (  resid 8    and name  HG2#)   (( resid 22   and name  HA  )) 3.668 1.868 1.868 peak   883 weight  1.00000E+00 volume  2.61839E+05 ppm1      5.019 ppm2     -0.572

ASSI {22}   (( resid 24   and name  HA  ))   (( resid 23   and name  HB2 )) 3.051 1.351 2.941 peak  1763 weight  1.00000E+00 volume  3.72718E+05 ppm1      5.274 ppm2      3.084 !2

ASSI {23}   (  resid 7    and name  HG# )   (( resid 24   and name  HA  )) 2.865 1.165 1.575 peak   128 weight  1.00000E+00 volume  6.70177E+05 ppm1      1.182 ppm2      5.317 !1

ASSI {24}   (( resid 7    and name  HB1 ))   (( resid 24   and name  HA  )) 2.775 1.075 3.515 peak  1767 weight  1.00000E+00 volume  8.47882E+05 ppm1      5.272 ppm2      1.592 !3

ASSI {25}   (( resid 24   and name  HA  ))   (( resid 7    and name  HD2 )) 2.83 1.13 3.43 peak  1768 weight  1.00000E+00 volume  6.82331E+05 ppm1      5.274 ppm2      1.516 !3

ASSI {26}   (( resid 84   and name  HA  ))   (( resid 26   and name  HN  )) 2.736 1.036 2.636 peak   872 weight  1.00000E+00 volume  9.50071E+05 ppm1      4.943 ppm2      8.159 !1

ASSI {27}   (  resid 85   and name  HB# )   (( resid 26   and name  HA  )) 3.747 1.947 1.947 peak  1191 weight  1.00000E+00 volume  2.14608E+05 ppm1      4.908 ppm2      0.154

ASSI {28}   (  resid 8    and name  HD1#)   (( resid 26   and name  HA  )) 3.963 2.263 4.503 peak  1192 weight  1.00000E+00 volume  1.37607E+05 ppm1      4.914 ppm2     -0.044 !2

ASSI {29}   (  resid 28   and name  HB# )   (( resid 83   and name  HN  )) 3.583 1.883 3.973 peak    96 weight  1.00000E+00 volume  3.21973E+05 ppm1      1.381 ppm2      9.662 !2

ASSI {30}   (( resid 53   and name  HD1 ))   (( resid 31   and name  HA  )) 3.067 1.367 3.627 peak  2596 weight  1.00000E+00 volume  3.67895E+05 ppm1      3.601 ppm2      4.816 !3

ASSI {31}   (( resid 31   and name  HA  ))   (  resid 32   and name  HG2#) 2.941 1.241 2.041 peak  3583 weight  1.00000E+00 volume  1.60492E+06 ppm1      0.542 ppm2      4.805 !1

ASSI {32}   (( resid 35   and name  HA  ))   (  resid 32   and name  HG2#) 3.871 2.171 3.491 peak   195 weight  1.00000E+00 volume  1.57312E+05 ppm1      4.482 ppm2      0.503 !2

ASSI {33}   (( resid 36   and name  HG1 ))   (( resid 38   and name  HN  )) 3.359 1.659 2.519 peak   348 weight  1.00000E+00 volume  1.73840E+05 ppm1      1.805 ppm2      8.511 !1
OR {33}   (( resid 36   and name  HG1 ))   (( resid 38   and name  HD21))

ASSI {34}   (( resid 37   and name  HN  ))   (( resid 36   and name  HG1 )) 3.492 1.692 1.692 peak   349 weight  1.00000E+00 volume  1.31460E+05 ppm1      1.805 ppm2      9.765

ASSI {35}   (( resid 36   and name  HD2 ))   (( resid 36   and name  HA  )) 2.868 1.168 1.898 peak   458 weight  1.00000E+00 volume  6.34837E+05 ppm1      3.123 ppm2      4.804 !1

ASSI {36}   (( resid 37   and name  HA  ))   (( resid 39   and name  HA  )) 3.23 1.53 4.08 peak  1504 weight  1.00000E+00 volume  2.32515E+05 ppm1      5.316 ppm2      5.043 !2

ASSI {37}   (( resid 37   and name  HA  ))   (( resid 38   and name  HD22)) 3.312 1.612 3.192 peak  1512 weight  1.00000E+00 volume  1.89428E+05 ppm1      5.322 ppm2      8.116 !2

ASSI {38}   (( resid 40   and name  HG11))   (( resid 39   and name  HA  )) 3.28 1.58 2.92 peak   500 weight  1.00000E+00 volume  1.99328E+05 ppm1      5.023 ppm2      1.392 !1

ASSI {39}   (( resid 67   and name  HA  ))   (( resid 39   and name  HB1 )) 2.872 1.172 3.542 peak   675 weight  1.00000E+00 volume  6.89990E+05 ppm1      3.840 ppm2      5.106 !3

ASSI {40}   (( resid 67   and name  HA  ))   (( resid 39   and name  HB2 )) 2.796 1.096 4.297 peak   676 weight  1.00000E+00 volume  8.29678E+05 ppm1      4.319 ppm2      5.113 !3

ASSI {41}   (  resid 40   and name  HG2#)   (( resid 64   and name  HA  )) 3.953 2.253 3.133 peak   881 weight  1.00000E+00 volume  1.44630E+05 ppm1      0.232 ppm2      4.014 !1

ASSI {42}   (( resid 68   and name  HB2 ))   (( resid 40   and name  HN  )) 3.077 1.377 3.737 peak  1190 weight  1.00000E+00 volume  3.30388E+05 ppm1      2.131 ppm2      9.136 !2

ASSI {43}   (( resid 40   and name  HG12))   (( resid 80   and name  HA  )) 3.375 1.675 4.765 peak  2737 weight  1.00000E+00 volume  1.54368E+05 ppm1      4.989 ppm2      0.674 !2

ASSI {44}   (( resid 41   and name  HA  ))   (  resid 62   and name  HD2#) 4.032 2.232 2.232 peak   179 weight  1.00000E+00 volume  1.23717E+05 ppm1      4.995 ppm2     -0.199

ASSI {45}   (( resid 41   and name  HG1 ))   (( resid 67   and name  HA  )) 3.199 1.499 4.659 peak   840 weight  1.00000E+00 volume  2.53077E+05 ppm1      5.165 ppm2      0.824 !3

ASSI {46}   (( resid 42   and name  HN  ))   (  resid 63   and name  HG# ) 2.809 1.109 6.269 peak   409 weight  1.00000E+00 volume  8.04976E+05 ppm1      2.000 ppm2      9.275 !3

ASSI {47}   (( resid 42   and name  HN  ))   (( resid 63   and name  HD1 )) 2.919 1.219 6.329 peak  2126 weight  1.00000E+00 volume  5.79667E+05 ppm1      3.651 ppm2      9.273 !3

ASSI {48}   (( resid 42   and name  HN  ))   (( resid 63   and name  HD2 )) 2.879 1.179 4.599 peak  2127 weight  1.00000E+00 volume  6.55205E+05 ppm1      4.148 ppm2      9.272 !3

ASSI {49}   (( resid 43   and name  HA  ))   (( resid 7    and name  HG2 )) 3.312 1.512 1.512 peak  1385 weight  1.00000E+00 volume  1.93635E+05 ppm1      4.484 ppm2      1.241

ASSI {50}   (( resid 8    and name  HG11))   (( resid 43   and name  HA  )) 3.537 1.837 4.246 peak  1387 weight  1.00000E+00 volume  1.26880E+05 ppm1      4.493 ppm2      0.486 !1

ASSI {51}   (( resid 46   and name  HA  ))   (( resid 6    and name  HA  )) 3.216 1.516 3.907 peak  1208 weight  1.00000E+00 volume  2.50476E+05 ppm1      4.539 ppm2      4.795 !3

ASSI {52}   (( resid 46   and name  HA  ))   (( resid 47   and name  HB2 )) 3.329 1.629 2.469 peak  2675 weight  1.00000E+00 volume  2.00008E+05 ppm1      4.859 ppm2      2.665 !1

ASSI {53}   (  resid 48   and name  HB# )   (( resid 47   and name  HN  )) 3.795 1.995 1.995 peak  2449 weight  1.00000E+00 volume  2.06993E+05 ppm1      1.116 ppm2      8.548

ASSI {54}   (( resid 48   and name  HA  ))   (( resid 86   and name  HB  )) 3.349 1.649 2.159 peak  1454 weight  1.00000E+00 volume  1.77306E+05 ppm1      5.180 ppm2      1.604 !1

ASSI {55}   (( resid 84   and name  HN  ))   (( resid 48   and name  HA  )) 3.582 1.782 1.782 peak  1455 weight  1.00000E+00 volume  9.82727E+04 ppm1      5.192 ppm2     10.083

ASSI {56}   (( resid 48   and name  HA  ))   (  resid 85   and name  HB# ) 3.891 2.191 3.671 peak  1670 weight  1.00000E+00 volume  1.67446E+05 ppm1      0.146 ppm2      5.135 !1

ASSI {57}   (( resid 48   and name  HA  ))   (( resid 63   and name  HD1 )) 3.284 1.584 4.064 peak  2125 weight  1.00000E+00 volume  2.16902E+05 ppm1      3.670 ppm2      5.220 !2

ASSI {58}   (( resid 48   and name  HA  ))   (  resid 8    and name  HD1#) 4.071 2.27 2.27 peak  2772 weight  1.00000E+00 volume  1.13834E+05 ppm1     -0.081 ppm2      5.186

ASSI {59}   (( resid 83   and name  HB1 ))   (( resid 49   and name  HA  )) 3.089 1.289 1.289 peak   973 weight  1.00000E+00 volume  3.56489E+05 ppm1      5.352 ppm2      3.649

ASSI {60}   (  resid 49   and name  HG1#)   (( resid 50   and name  HA  )) 3.901 2.101 2.101 peak  1654 weight  1.00000E+00 volume  1.72430E+05 ppm1      1.069 ppm2      5.555

ASSI {61}   (( resid 51   and name  HG2 ))   (( resid 50   and name  HA  )) 3.277 1.577 4.237 peak   695 weight  1.00000E+00 volume  2.10053E+05 ppm1      5.609 ppm2      1.960 !3

ASSI {62}   (( resid 51   and name  HA  ))   (( resid 80   and name  HA  )) 2.64 0.84 0.84 peak  1526 weight  1.00000E+00 volume  1.41603E+06 ppm1      4.736 ppm2      4.978

ASSI {63}   (  resid 58   and name  HB# )   (( resid 51   and name  HA  )) 3.462 1.762 2.642 peak  2721 weight  1.00000E+00 volume  1.15717E+05 ppm1      2.900 ppm2      4.784 !1

ASSI {64}   (( resid 51   and name  HG2 ))   (( resid 80   and name  HA  )) 2.918 1.218 2.449 peak  2736 weight  1.00000E+00 volume  5.25450E+05 ppm1      4.968 ppm2      1.950 !2

ASSI {65}   (( resid 52   and name  HA  ))   (( resid 53   and name  HA  )) 3.331 1.531 1.531 peak  1036 weight  1.00000E+00 volume  1.72634E+05 ppm1      3.962 ppm2      4.667

ASSI {66}   (( resid 52   and name  HD2 ))   (( resid 56   and name  HN  )) 3.043 1.343 4.143 peak  1802 weight  1.00000E+00 volume  4.02494E+05 ppm1      3.076 ppm2      6.407 !2

ASSI {67}   (( resid 52   and name  HD1 ))   (( resid 56   and name  HN  )) 3.038 1.338 3.799 peak  1803 weight  1.00000E+00 volume  3.97716E+05 ppm1      2.998 ppm2      6.406 !2

ASSI {68}   (( resid 54   and name  HB2 ))   (( resid 53   and name  HA  )) 3.35 1.65 2.35 peak   603 weight  1.00000E+00 volume  1.64388E+05 ppm1      2.723 ppm2      3.917 !1

ASSI {69}   (( resid 54   and name  HB1 ))   (( resid 53   and name  HA  )) 3.24 1.54 2.581 peak   604 weight  1.00000E+00 volume  2.23336E+05 ppm1      2.653 ppm2      3.912 !1

ASSI {70}   (( resid 81   and name  HB1 ))   (( resid 54   and name  HN  )) 3.858 2.158 3.348 peak  2381 weight  1.00000E+00 volume  6.15672E+04 ppm1      3.330 ppm2      9.969 !1

ASSI {71}   (  resid 58   and name  HB# )   (( resid 59   and name  HA  )) 3.714 1.914 1.914 peak  2722 weight  1.00000E+00 volume  6.82085E+04 ppm1      2.905 ppm2      5.073

ASSI {72}   (( resid 67   and name  HA  ))   (( resid 65   and name  HA2 )) 3.333 1.633 4.103 peak  1612 weight  1.00000E+00 volume  1.77840E+05 ppm1      3.887 ppm2      5.196 !1

ASSI {73}   (( resid 67   and name  HA  ))   (( resid 69   and name  HA  )) 2.901 1.201 3.491 peak  2607 weight  1.00000E+00 volume  5.76756E+05 ppm1      5.378 ppm2      5.193 !2

ASSI {74}   (( resid 67   and name  HA  ))   (( resid 73   and name  HB1 )) 3.395 1.695 3.185 peak  3089 weight  1.00000E+00 volume  1.69179E+05 ppm1      2.564 ppm2      5.106 !2

ASSI {75}   (( resid 69   and name  HB1 ))   (( resid 78   and name  HA  )) 3.239 1.539 5.719 peak  1598 weight  1.00000E+00 volume  2.25663E+05 ppm1      1.794 ppm2      4.623 !3

ASSI {76}   (( resid 70   and name  HA  ))   (( resid 69   and name  HG2 )) 3.234 1.534 4.464 peak  2027 weight  1.00000E+00 volume  2.42852E+05 ppm1      1.179 ppm2      1.988 !3

ASSI {77}   (( resid 73   and name  HA  ))   (( resid 70   and name  HB2 )) 3.33 1.63 4.53 peak  2625 weight  1.00000E+00 volume  1.75389E+05 ppm1      5.309 ppm2      2.236 !3

ASSI {78}   (( resid 72   and name  HB2 ))   (( resid 71   and name  HN  )) 3.689 1.889 1.889 peak   928 weight  1.00000E+00 volume  6.93671E+04 ppm1      2.460 ppm2      8.540

ASSI {79}   (( resid 73   and name  HN  ))   (( resid 71   and name  HA  )) 3.41 1.611 1.611 peak  1412 weight  1.00000E+00 volume  1.44347E+05 ppm1      3.814 ppm2      7.227

ASSI {80}   (( resid 73   and name  HA  ))   (( resid 74   and name  HG1 )) 3.234 1.534 2.073 peak  2622 weight  1.00000E+00 volume  2.42780E+05 ppm1      5.314 ppm2      2.918 !1

ASSI {81}   (( resid 73   and name  HN  ))   (( resid 73   and name  HB1 )) 2.876 1.076 1.076 peak  3092 weight  1.00000E+00 volume  6.71537E+05 ppm1      2.564 ppm2      7.216

ASSI {82}   (( resid 75   and name  HA2 ))   (( resid 78   and name  HA  )) 3.463 1.763 3.273 peak   724 weight  1.00000E+00 volume  1.32846E+05 ppm1      3.675 ppm2      4.581 !3

ASSI {83}   (  resid 79   and name  HG# )   (( resid 79   and name  HA  )) 2.514 0.7135 0.7135 peak  1003 weight  1.00000E+00 volume  2.18139E+06 ppm1      1.614 ppm2      4.691

ASSI {84}   (( resid 81   and name  HB1 ))   (( resid 83   and name  HN  )) 3.616 1.916 4.156 peak  2380 weight  1.00000E+00 volume  1.04191E+05 ppm1      3.328 ppm2      9.687 !2

ASSI {85}   (  resid 84   and name  HB# )   (( resid 85   and name  HA  )) 3.596 1.896 3.146 peak   487 weight  1.00000E+00 volume  1.00686E+05 ppm1      3.215 ppm2      1.729 !1

ASSI {86}   (( resid 84   and name  HA  ))   (( resid 84   and name  HE  )) 3.262 1.562 1.972 peak   870 weight  1.00000E+00 volume  2.07358E+05 ppm1      4.940 ppm2      6.588 !1

ASSI {87}   (( resid 88   and name  HA  ))   (  resid 87   and name  HB# ) 3.468 1.667 1.667 peak  2506 weight  1.00000E+00 volume  1.32926E+05 ppm1      4.542 ppm2      3.032

ASSI {88}   (( resid 96   and name  HN  ))   (( resid 94   and name  HB2 )) 3.309 1.609 4.369 peak  1952 weight  1.00000E+00 volume  1.86478E+05 ppm1      2.712 ppm2      9.040 !2

ASSI {89}   (( resid 95   and name  HA  ))   (( resid 95   and name  HE2 )) 3.261 1.561 2.421 peak  2005 weight  1.00000E+00 volume  2.12206E+05 ppm1      5.006 ppm2      2.926 !1

ASSI {90}   (( resid 95   and name  HA  ))   (( resid 96   and name  HB  )) 3.502 1.702 1.702 peak  2008 weight  1.00000E+00 volume  1.28557E+05 ppm1      5.011 ppm2      0.097

ASSI {91}   (( resid 100  and name  HA  ))   (( resid 101  and name  HG1 )) 3.413 1.613 1.613 peak   385 weight  1.00000E+00 volume  1.54904E+05 ppm1      1.197 ppm2      4.346

ASSI {92}   (( resid 100  and name  HA  ))   (( resid 107  and name  HA  )) 3.072 1.372 3.822 peak  1021 weight  1.00000E+00 volume  3.51932E+05 ppm1      3.870 ppm2      4.309 !2

ASSI {93}   (( resid 100  and name  HA  ))   (( resid 124  and name  HG2 )) 3.123 1.423 1.973 peak  2589 weight  1.00000E+00 volume  3.17392E+05 ppm1      2.561 ppm2      4.312 !1

ASSI {94}   (( resid 101  and name  HG1 ))   (( resid 101  and name  HA  )) 2.91 1.21 1.8 peak  1376 weight  1.00000E+00 volume  5.73588E+05 ppm1      4.504 ppm2      1.136 !1

ASSI {95}   (  resid 127  and name  HG2#)   (( resid 101  and name  HA  )) 3.56 1.86 2.92 peak  1377 weight  1.00000E+00 volume  3.30150E+05 ppm1      4.499 ppm2      0.962 !1

ASSI {96}   (( resid 101  and name  HG1 ))   (( resid 104  and name  HA  )) 3.697 1.997 3.927 peak  2797 weight  1.00000E+00 volume  7.99484E+04 ppm1      2.560 ppm2      1.174 !3

ASSI {97}   (( resid 101  and name  HA  ))   (( resid 128  and name  HE1 )) 2.926 1.226 1.816 peak  3404 weight  1.00000E+00 volume  5.64866E+05 ppm1      4.502 ppm2      8.522 !1

ASSI {98}   (( resid 102  and name  HA1 ))   (( resid 105  and name  HA  )) 2.985 1.285 5.775 peak  1104 weight  1.00000E+00 volume  4.41707E+05 ppm1      3.850 ppm2      4.844 !3

ASSI {99}   (( resid 102  and name  HA2 ))   (( resid 105  and name  HA  )) 3.171 1.471 4.741 peak  1105 weight  1.00000E+00 volume  2.75387E+05 ppm1      3.786 ppm2      4.845 !3

ASSI {100}   (( resid 159  and name  HG1 ))   (( resid 103  and name  HA  )) 3.248 1.548 4.628 peak  2088 weight  1.00000E+00 volume  2.33652E+05 ppm1      3.083 ppm2      1.147 !4

ASSI {101}   (( resid 103  and name  HA  ))   (( resid 104  and name  HZ  )) 3.148 1.448 4.228 peak  2092 weight  1.00000E+00 volume  2.96365E+05 ppm1      3.076 ppm2      6.840 !2

ASSI {102}   (( resid 104  and name  HA  ))   (( resid 129  and name  HB2 )) 3.417 1.616 1.616 peak  2784 weight  1.00000E+00 volume  1.57343E+05 ppm1      2.561 ppm2      4.263

ASSI {103}   (( resid 104  and name  HA  ))   (( resid 131  and name  HA  )) 3.175 1.475 4.435 peak  2786 weight  1.00000E+00 volume  2.72074E+05 ppm1      2.577 ppm2      5.189 !2

ASSI {104}   (( resid 99   and name  HA  ))   (( resid 104  and name  HA  )) 3.721 1.921 1.921 peak  2787 weight  1.00000E+00 volume  6.61991E+04 ppm1      2.579 ppm2      5.446

ASSI {105}   (( resid 118  and name  HA  ))   (( resid 109  and name  HB1 )) 3.543 1.843 4.353 peak  2571 weight  1.00000E+00 volume  1.14745E+05 ppm1      2.608 ppm2      3.932 !3

ASSI {106}   (( resid 112  and name  HA  ))   (( resid 93   and name  HB2 )) 3.561 1.861 3.38 peak   354 weight  1.00000E+00 volume  1.02704E+05 ppm1      5.189 ppm2      1.821 !2

ASSI {107}   (( resid 94   and name  HB2 ))   (( resid 112  and name  HA  )) 3.467 1.767 2.167 peak  1945 weight  1.00000E+00 volume  1.29841E+05 ppm1      2.708 ppm2      5.204 !1

ASSI {108}   (( resid 95   and name  HE2 ))   (( resid 112  and name  HA  )) 3.602 1.902 3.302 peak  3067 weight  1.00000E+00 volume  9.89597E+04 ppm1      5.186 ppm2      2.941 !2

ASSI {109}   (( resid 94   and name  HB2 ))   (( resid 113  and name  HA  )) 3.139 1.439 3.459 peak  1729 weight  1.00000E+00 volume  3.22930E+05 ppm1      4.734 ppm2      2.700 !1

ASSI {110}   (( resid 113  and name  HB1 ))   (( resid 115  and name  HA  )) 3.266 1.566 4.246 peak  1863 weight  1.00000E+00 volume  1.91897E+05 ppm1      2.365 ppm2      4.898 !2

ASSI {111}   (( resid 174  and name  HG2 ))   (( resid 114  and name  HA  )) 3.224 1.524 2.904 peak   387 weight  1.00000E+00 volume  2.47318E+05 ppm1      1.288 ppm2      4.823 !2

ASSI {112}   (  resid 96   and name  HG2#)   (( resid 114  and name  HA  )) 3.152 1.452 3.022 peak  3610 weight  1.00000E+00 volume  9.22407E+05 ppm1     -0.443 ppm2      4.831 !2

ASSI {113}   (( resid 115  and name  HA  ))   (  resid 122  and name  HE# ) 3.508 1.808 2.228 peak  1230 weight  1.00000E+00 volume  2.24044E+05 ppm1      4.927 ppm2      7.381 !1

ASSI {114}   (( resid 117  and name  HA  ))   (( resid 115  and name  HN  )) 3.207 1.507 4.537 peak  1692 weight  1.00000E+00 volume  2.30052E+05 ppm1      4.903 ppm2      9.011 !3

ASSI {115}   (  resid 175  and name  HD# )   (( resid 115  and name  HN  )) 3.478 1.778 3.488 peak  3053 weight  1.00000E+00 volume  1.24008E+05 ppm1      2.804 ppm2      8.918 !2

ASSI {116}   (( resid 116  and name  HA  ))   (( resid 174  and name  HA  )) 3.287 1.587 3.757 peak  2212 weight  1.00000E+00 volume  2.24970E+05 ppm1      3.930 ppm2      5.219 !2

ASSI {117}   (  resid 122  and name  HD# )   (( resid 117  and name  HA  )) 3.232 1.532 4.152 peak  1690 weight  1.00000E+00 volume  4.62187E+05 ppm1      4.894 ppm2      6.536 !2

ASSI {118}   (( resid 144  and name  HB2 ))   (( resid 117  and name  HA  )) 3.123 1.423 5.173 peak  2403 weight  1.00000E+00 volume  2.96500E+05 ppm1      2.537 ppm2      4.929 !3

ASSI {119}   (( resid 118  and name  HA  ))   (( resid 117  and name  HA  )) 3.142 1.442 2.062 peak  2919 weight  1.00000E+00 volume  2.90436E+05 ppm1      3.968 ppm2      4.881 !1

ASSI {120}   (( resid 117  and name  HA  ))   (( resid 146  and name  HN  )) 3.373 1.673 4.213 peak  3499 weight  1.00000E+00 volume  1.67877E+05 ppm1      4.923 ppm2      6.198 !3

ASSI {121}   (  resid 118  and name  HG2#)   (( resid 118  and name  HN  )) 3.386 1.586 1.586 peak    79 weight  1.00000E+00 volume  4.83861E+05 ppm1      1.009 ppm2      8.673

ASSI {122}   (( resid 172  and name  HA  ))   (( resid 118  and name  HA  )) 2.642 0.942 1.892 peak  2916 weight  1.00000E+00 volume  1.15110E+06 ppm1      3.961 ppm2      4.520 !1

ASSI {123}   (( resid 119  and name  HN  ))   (( resid 122  and name  HA  )) 3.022 1.322 4.302 peak    67 weight  1.00000E+00 volume  4.12154E+05 ppm1      4.391 ppm2      8.915 !2

ASSI {124}   (( resid 124  and name  HN  ))   (( resid 119  and name  HB1 )) 2.91 1.21 3.23 peak  1215 weight  1.00000E+00 volume  5.38456E+05 ppm1      2.125 ppm2      6.903 !2

ASSI {125}   (  resid 123  and name  HB# )   (( resid 119  and name  HA  )) 3.087 1.387 2.827 peak  1604 weight  1.00000E+00 volume  3.50798E+05 ppm1      4.259 ppm2      3.420 !2

ASSI {126}   (( resid 121  and name  HB1 ))   (( resid 122  and name  HA  )) 3.427 1.727 3.247 peak  2854 weight  1.00000E+00 volume  1.44638E+05 ppm1      1.523 ppm2      4.334 !2

ASSI {127}   (( resid 122  and name  HB1 ))   (( resid 122  and name  HA  )) 2.639 0.8395 0.8395 peak    61 weight  1.00000E+00 volume  1.42888E+06 ppm1      4.368 ppm2      2.749

ASSI {128}   (  resid 127  and name  HD1#)   (( resid 125  and name  HA  )) 3.99 2.19 2.19 peak  2413 weight  1.00000E+00 volume  1.25848E+05 ppm1      4.391 ppm2      0.304

ASSI {129}   (( resid 128  and name  HA  ))   (( resid 168  and name  HB2 )) 2.965 1.165 1.165 peak  2159 weight  1.00000E+00 volume  4.59586E+05 ppm1      1.671 ppm2      4.775

ASSI {130}   (( resid 129  and name  HB2 ))   (( resid 158  and name  HA  )) 3.071 1.271 1.271 peak  2488 weight  1.00000E+00 volume  3.80264E+05 ppm1      3.375 ppm2      4.253

ASSI {131}   (( resid 129  and name  HB1 ))   (( resid 158  and name  HA  )) 3.46 1.659 1.659 peak  2489 weight  1.00000E+00 volume  1.46695E+05 ppm1      3.382 ppm2      4.455

ASSI {132}   (( resid 130  and name  HA  ))   (  resid 99   and name  HB# ) 3.553 1.753 1.753 peak   144 weight  1.00000E+00 volume  1.06889E+05 ppm1      3.398 ppm2      5.832

ASSI {133}   (( resid 132  and name  HA  ))   (  resid 131  and name  HE# ) 3.389 1.689 3.399 peak  1159 weight  1.00000E+00 volume  1.67680E+05 ppm1      3.049 ppm2      4.134 !1

ASSI {134}   (( resid 132  and name  HA  ))   (( resid 96   and name  HG12)) 3.155 1.455 5.286 peak  1542 weight  1.00000E+00 volume  2.97756E+05 ppm1      4.182 ppm2      0.893 !2

ASSI {135}   (( resid 133  and name  HA  ))   (( resid 137  and name  HB1 )) 3.408 1.708 3.688 peak   392 weight  1.00000E+00 volume  1.51105E+05 ppm1      4.176 ppm2      3.017 !2

ASSI {136}   (  resid 94   and name  HE# )   (( resid 134  and name  HA  )) 3.395 1.695 4.025 peak   403 weight  1.00000E+00 volume  2.81837E+05 ppm1      4.640 ppm2      6.879 !1

ASSI {137}   (( resid 134  and name  HA  ))   (( resid 90   and name  HA  )) 3.084 1.384 5.134 peak  1930 weight  1.00000E+00 volume  3.48535E+05 ppm1      4.606 ppm2      4.330 !2

ASSI {138}   (( resid 134  and name  HB2 ))   (( resid 136  and name  HA  )) 3.211 1.511 3.851 peak  3126 weight  1.00000E+00 volume  2.37403E+05 ppm1      1.597 ppm2      4.837 !3

ASSI {139}   (( resid 175  and name  HA  ))   (( resid 137  and name  HA  )) 2.851 1.151 2.031 peak  2855 weight  1.00000E+00 volume  7.26688E+05 ppm1      5.340 ppm2      3.565 !2

ASSI {140}   (  resid 138  and name  HG2#)   (( resid 137  and name  HA  )) 3.856 2.056 2.056 peak  2858 weight  1.00000E+00 volume  1.71891E+05 ppm1      5.344 ppm2      0.315

ASSI {141}   (( resid 140  and name  HA  ))   (( resid 139  and name  HA  )) 3.095 1.295 1.295 peak  2171 weight  1.00000E+00 volume  3.42740E+05 ppm1      5.750 ppm2      5.433

ASSI {142}   (( resid 139  and name  HB2 ))   (( resid 151  and name  HA  )) 3.535 1.835 2.865 peak  2832 weight  1.00000E+00 volume  1.08170E+05 ppm1      4.581 ppm2      2.934 !2

ASSI {143}   (( resid 141  and name  HB1 ))   (( resid 140  and name  HA  )) 3.29 1.49 1.49 peak   454 weight  1.00000E+00 volume  2.10544E+05 ppm1      2.517 ppm2      5.757

ASSI {144}   (( resid 171  and name  HG1 ))   (( resid 141  and name  HN  )) 3.346 1.646 4.486 peak   452 weight  1.00000E+00 volume  1.80776E+05 ppm1      2.532 ppm2      9.242 !2

ASSI {145}   (( resid 171  and name  HG1 ))   (( resid 142  and name  HA  )) 2.952 1.252 1.682 peak   446 weight  1.00000E+00 volume  5.10075E+05 ppm1      2.537 ppm2      4.967 !1

ASSI {146}   (( resid 142  and name  HA  ))   (( resid 142  and name  HG  )) 2.873 1.074 1.074 peak  2142 weight  1.00000E+00 volume  6.28220E+05 ppm1      1.569 ppm2      4.973

ASSI {147}   (( resid 147  and name  HA1 ))   (( resid 142  and name  HA  )) 3.228 1.428 1.428 peak  2727 weight  1.00000E+00 volume  2.36912E+05 ppm1      4.981 ppm2      3.837

ASSI {148}   (  resid 143  and name  HG# )   (( resid 145  and name  HA  )) 3.391 1.691 4.201 peak   213 weight  1.00000E+00 volume  1.62296E+05 ppm1      2.043 ppm2      2.769 !2

ASSI {149}   (( resid 143  and name  HD2 ))   (( resid 171  and name  HA  )) 3.018 1.318 4.107 peak  1583 weight  1.00000E+00 volume  4.33458E+05 ppm1      3.611 ppm2      4.718 !3

ASSI {150}   (( resid 144  and name  HB2 ))   (( resid 143  and name  HA  )) 3.303 1.603 2.182 peak  2399 weight  1.00000E+00 volume  1.92003E+05 ppm1      2.538 ppm2      4.150 !1

ASSI {151}   (( resid 146  and name  HB1 ))   (( resid 144  and name  HA  )) 3.106 1.406 2.696 peak  1432 weight  1.00000E+00 volume  3.15476E+05 ppm1      3.167 ppm2      1.607 !1
OR {151}   (  resid 146  and name  HG# )   (( resid 144  and name  HA  ))

ASSI {152}   (( resid 144  and name  HA  ))   (( resid 146  and name  HN  )) 3.444 1.744 2.284 peak  1702 weight  1.00000E+00 volume  1.31838E+05 ppm1      3.154 ppm2      6.194 !1

ASSI {153}   (( resid 146  and name  HD1 ))   (( resid 146  and name  HN  )) 3.353 1.653 2.073 peak   310 weight  1.00000E+00 volume  1.75255E+05 ppm1      3.214 ppm2      6.145 !1

ASSI {154}   (( resid 146  and name  HD1 ))   (( resid 147  and name  HN  )) 3.271 1.571 2.721 peak   311 weight  1.00000E+00 volume  1.95869E+05 ppm1      3.215 ppm2      8.367 !1

ASSI {155}   (( resid 74   and name  HG1 ))   (( resid 146  and name  HA  )) 3.354 1.554 1.554 peak  1119 weight  1.00000E+00 volume  1.65575E+05 ppm1      2.875 ppm2      4.827

ASSI {156}   (  resid 146  and name  HG# )   (( resid 146  and name  HA  )) 2.524 0.724 0.724 peak  1266 weight  1.00000E+00 volume  2.12535E+06 ppm1      1.613 ppm2      4.908

ASSI {157}   (  resid 146  and name  HG# )   (( resid 147  and name  HN  )) 2.969 1.169 1.169 peak  1269 weight  1.00000E+00 volume  4.84548E+05 ppm1      1.614 ppm2      8.358

ASSI {158}   (( resid 155  and name  HA  ))   (( resid 154  and name  HN  )) 3.423 1.723 3.213 peak  2699 weight  1.00000E+00 volume  1.50808E+05 ppm1      4.281 ppm2      8.245 !2

ASSI {159}   (( resid 160  and name  HB1 ))   (( resid 160  and name  HB2 )) 2.448 0.648 0.648 peak   533 weight  1.00000E+00 volume  2.84640E+06 ppm1      1.508 ppm2      1.057
OR {159}   (( resid 160  and name  HA  ))   (( resid 160  and name  HB1 ))

ASSI {160}   (( resid 161  and name  HA  ))   (( resid 162  and name  HA  )) 2.955 1.255 2.105 peak  1088 weight  1.00000E+00 volume  4.92265E+05 ppm1      4.589 ppm2      4.229 !1

ASSI {161}   (( resid 161  and name  HA  ))   (( resid 163  and name  HD1 )) 3.559 1.759 1.759 peak  2100 weight  1.00000E+00 volume  1.08613E+05 ppm1      4.193 ppm2      6.236

ASSI {162}   (( resid 161  and name  HG12))   (( resid 162  and name  HN  )) 3.594 1.794 1.794 peak  2386 weight  1.00000E+00 volume  1.01173E+05 ppm1      1.328 ppm2      8.181

ASSI {163}   (( resid 162  and name  HA  ))   (( resid 163  and name  HN  )) 3.09 1.29 1.29 peak  1098 weight  1.00000E+00 volume  3.36910E+05 ppm1      4.593 ppm2      7.636

ASSI {164}   (( resid 164  and name  HA1 ))   (( resid 162  and name  HA  )) 2.944 1.244 3.784 peak  1164 weight  1.00000E+00 volume  5.05479E+05 ppm1      4.594 ppm2      3.778 !2

ASSI {165}   (( resid 162  and name  HA  ))   (( resid 163  and name  HD1 )) 3.516 1.816 3.476 peak  1177 weight  1.00000E+00 volume  1.18908E+05 ppm1      4.586 ppm2      6.213 !2

ASSI {166}   (( resid 162  and name  HA  ))   (( resid 164  and name  HN  )) 3.115 1.315 1.315 peak  1178 weight  1.00000E+00 volume  3.18563E+05 ppm1      4.588 ppm2      7.796

ASSI {167}   (( resid 162  and name  HN  ))   (( resid 162  and name  HA  )) 2.738 0.938 0.938 peak  1180 weight  1.00000E+00 volume  9.82151E+05 ppm1      4.597 ppm2      8.146

ASSI {168}   (( resid 168  and name  HA  ))   (( resid 163  and name  HE1 )) 3.47 1.67 1.67 peak  1417 weight  1.00000E+00 volume  1.34070E+05 ppm1      4.600 ppm2      9.727

ASSI {169}   (( resid 165  and name  HA  ))   (  resid 166  and name  HB# ) 2.932 1.132 1.132 peak   303 weight  1.00000E+00 volume  1.64816E+06 ppm1      1.426 ppm2      4.493

ASSI {170}   (( resid 167  and name  HA  ))   (  resid 166  and name  HB# ) 3.603 1.802 1.802 peak   304 weight  1.00000E+00 volume  2.96461E+05 ppm1      1.426 ppm2      4.902

ASSI {171}   (( resid 166  and name  HA  ))   (( resid 168  and name  HD1 )) 3.162 1.462 3.312 peak  2878 weight  1.00000E+00 volume  2.69631E+05 ppm1      4.201 ppm2      3.609 !2

ASSI {172}   (( resid 168  and name  HG2 ))   (( resid 169  and name  HN  )) 3.425 1.625 1.625 peak   948 weight  1.00000E+00 volume  1.34361E+05 ppm1      1.698 ppm2      7.429

ASSI {173}   (( resid 168  and name  HD2 ))   (( resid 168  and name  HA  )) 2.937 1.137 1.137 peak  2912 weight  1.00000E+00 volume  5.02406E+05 ppm1      3.720 ppm2      4.554

ASSI {174}   (( resid 168  and name  HD1 ))   (( resid 168  and name  HA  )) 2.703 0.9025 0.9025 peak  2913 weight  1.00000E+00 volume  9.54660E+05 ppm1      3.657 ppm2      4.553

ASSI {175}   (( resid 171  and name  HG1 ))   (( resid 171  and name  HA  )) 2.805 1.005 1.005 peak   445 weight  1.00000E+00 volume  8.22760E+05 ppm1      2.532 ppm2      4.751

ASSI {176}   (( resid 171  and name  HG1 ))   (( resid 171  and name  HN  )) 3.264 1.564 2.095 peak   449 weight  1.00000E+00 volume  2.15698E+05 ppm1      2.535 ppm2      8.513 !1

ASSI {177}   (( resid 171  and name  HG1 ))   (( resid 172  and name  HN  )) 3.713 1.913 1.913 peak   451 weight  1.00000E+00 volume  7.01107E+04 ppm1      2.541 ppm2      8.366

ASSI {178}   (( resid 171  and name  HB2 ))   (( resid 171  and name  HA  )) 2.857 1.057 1.057 peak   775 weight  1.00000E+00 volume  6.75792E+05 ppm1      2.424 ppm2      4.748

ASSI {179}   (( resid 172  and name  HA  ))   (( resid 174  and name  HA  )) 3.107 1.407 4.287 peak    47 weight  1.00000E+00 volume  3.29879E+05 ppm1      4.560 ppm2      5.220 !2

ASSI {180}   (  resid 96   and name  HD1#)   (( resid 174  and name  HA  )) 4.051 2.351 2.901 peak  2069 weight  1.00000E+00 volume  1.21042E+05 ppm1      5.253 ppm2     -0.598 !1

ASSI {181}   (  resid 88   and name  HD2#)   (( resid 178  and name  HN  )) 4.074 2.374 3.114 peak  1155 weight  1.00000E+00 volume  1.14550E+05 ppm1      0.777 ppm2      7.952 !1

!ASSI {182}   (  resid 131  and name  HE# )   (( resid 98   and name  HA  )) 2.791 1.091 5.401 peak  1160 weight  1.00000E+00 volume  8.52368E+05 ppm1      3.045 ppm2      4.799 !4

!ASSI {183}   (( resid 124  and name  HB1 ))   (( resid 101  and name  HA  )) 2.833 1.133 6.353 peak  1374 weight  1.00000E+00 volume  6.47392E+05 ppm1      4.495 ppm2      2.249 !4

!ASSI {184}   (( resid 177  and name  HA  ))   (( resid 89   and name  HA  )) 3.0 1.3 6.43 peak  2639 weight  1.00000E+00 volume  4.49700E+05 ppm1      4.514 ppm2      4.236 !5

!ASSI {185}   (( resid 103  and name  HB1 ))   (( resid 158  and name  HN  )) 3.442 1.742 5.892 peak  2471 weight  1.00000E+00 volume  1.34880E+05 ppm1      2.602 ppm2      8.938 !3

!ASSI {186}   (( resid 160  and name  HD2 ))   (( resid 166  and name  HA  )) 2.694 0.994 5.784 peak  2876 weight  1.00000E+00 volume  1.11348E+06 ppm1      4.200 ppm2      4.056 !3

!ASSI {187}   (  resid 49   and name  HG2#)   (( resid 74   and name  HA  )) 3.462 1.762 6.112 peak  2566 weight  1.00000E+00 volume  3.81696E+05 ppm1      0.824 ppm2      3.984 !4

!ASSI {188}   (  resid 61   and name  HG2#)   (( resid 152  and name  HN  )) 3.684 1.984 4.834 peak  1469 weight  1.00000E+00 volume  2.53857E+05 ppm1      0.669 ppm2      9.365 !3

!ASSI {189}   (  resid 170  and name  HG1#)   (( resid 117  and name  HA  )) 3.72 2.02 5.429 peak  1697 weight  1.00000E+00 volume  2.13733E+05 ppm1      4.895 ppm2      0.488 !4

!ASSI {190}   (( resid 156  and name  HG1 ))   (( resid 96   and name  HA  )) 3.155 1.455 5.615 peak   756 weight  1.00000E+00 volume  2.71043E+05 ppm1      4.494 ppm2      2.395 !3

!ASSI {191}   (( resid 20   and name  HG2 ))   (( resid 12   and name  HA  )) 3.358 1.658 5.318 peak  1043 weight  1.00000E+00 volume  1.70456E+05 ppm1      4.690 ppm2      1.065 !3

!ASSI {192}   (( resid 151  and name  HB2 ))   (( resid 86   and name  HA  )) 3.501 1.801 5.111 peak  2451 weight  1.00000E+00 volume  1.13172E+05 ppm1      3.690 ppm2      1.886 !3

!ASSI {193}   (( resid 129  and name  HA  ))   (( resid 103  and name  HB2 )) 3.495 1.795 5.236 peak  2464 weight  1.00000E+00 volume  1.35918E+05 ppm1      2.364 ppm2      4.622 !3

!ASSI {194}   (( resid 115  and name  HB1 ))   (( resid 121  and name  HA  )) 3.157 1.457 5.767 peak  2614 weight  1.00000E+00 volume  2.52573E+05 ppm1      3.862 ppm2      2.317 !3

!ASSI {195}   (( resid 151  and name  HB1 ))   (( resid 139  and name  HA  )) 3.526 1.826 6.576 peak  2297 weight  1.00000E+00 volume  1.19301E+05 ppm1      5.485 ppm2      1.133 !3

!ASSI {196}   (( resid 41   and name  HA  ))   (( resid 11   and name  HB2 )) 3.191 1.491 5.161 peak  1955 weight  1.00000E+00 volume  2.61082E+05 ppm1      5.012 ppm2      3.405 !3

!ASSI {197}   (( resid 73   and name  HA  ))   (( resid 71   and name  HG1 )) 2.578 0.878 6.287 peak  2624 weight  1.00000E+00 volume  1.63228E+06 ppm1      5.320 ppm2      2.493 !3

!ASSI {198}   (( resid 102  and name  HA1 ))   (( resid 168  and name  HA  )) 3.075 1.375 5.165 peak  1414 weight  1.00000E+00 volume  3.39786E+05 ppm1      4.600 ppm2      3.896 !3

!ASSI {199}   (( resid 109  and name  HB1 ))   (( resid 130  and name  HA  )) 3.548 1.848 5.348 peak   768 weight  1.00000E+00 volume  1.06066E+05 ppm1      5.817 ppm2      2.646 !3

!ASSI {200}   (( resid 168  and name  HB2 ))   (( resid 163  and name  HN  )) 3.104 1.404 6.494 peak  2164 weight  1.00000E+00 volume  3.16592E+05 ppm1      1.665 ppm2      7.550 !3

!ASSI {201}   (( resid 104  and name  HB2 ))   (( resid 108  and name  HA  )) 2.926 1.226 6.336 peak   643 weight  1.00000E+00 volume  5.46855E+05 ppm1      2.076 ppm2      4.989 !3

!ASSI {202}   (( resid 54   and name  HA  ))   (( resid 83   and name  HN  )) 3.087 1.387 6.917 peak   312 weight  1.00000E+00 volume  3.59218E+05 ppm1      3.227 ppm2      9.670 !4

!ASSI {203}   (( resid 75   and name  HA1 ))   (( resid 39   and name  HA  )) 3.478 1.778 6.558 peak   496 weight  1.00000E+00 volume  1.23618E+05 ppm1      5.023 ppm2      2.910 !3

ASSI {0}   (( resid 2    and name  HB2 ))   (( resid 3    and name  HB2 )) 3.395 1.695 2.175 peak  1593 weight  1.00000E+00 volume  1.34759E+05 ppm1      1.801 ppm2      3.824 !1

ASSI {1}   (  resid 3    and name  HG# )   (  resid 3    and name  HE# ) 2.34 0.5395 0.5395 peak   170 weight  1.00000E+00 volume  4.46870E+06 ppm1      2.982 ppm2      1.481

ASSI {2}   (( resid 3    and name  HB2 ))   (( resid 4    and name  HB  )) 3.241 1.541 3.771 peak  1596 weight  1.00000E+00 volume  2.26829E+05 ppm1      1.800 ppm2      4.241 !2

ASSI {3}   (( resid 3    and name  HB1 ))   (( resid 4    and name  HB  )) 3.314 1.614 4.474 peak  1597 weight  1.00000E+00 volume  1.76085E+05 ppm1      1.908 ppm2      4.252 !4

ASSI {4}   (  resid 6    and name  HG2#)   (( resid 4    and name  HB  )) 3.26 1.56 4.06 peak   903 weight  1.00000E+00 volume  7.11478E+05 ppm1      4.296 ppm2      1.031 !4

ASSI {5}   (  resid 6    and name  HG2#)   (( resid 7    and name  HB1 )) 3.009 1.309 3.169 peak  2407 weight  1.00000E+00 volume  1.25253E+06 ppm1      1.621 ppm2      0.952 !2

ASSI {6}   (  resid 6    and name  HG2#)   (( resid 6    and name  HB  )) 2.674 0.874 0.874 peak  2924 weight  1.00000E+00 volume  3.89109E+06 ppm1      4.079 ppm2      0.989

ASSI {7}   (  resid 85   and name  HB# )   (( resid 6    and name  HB  )) 3.532 1.732 1.732 peak  2925 weight  1.00000E+00 volume  3.44748E+05 ppm1      4.082 ppm2      0.147

ASSI {8}   (( resid 8    and name  HG11))   (( resid 83   and name  HB2 )) 3.354 1.654 3.194 peak    84 weight  1.00000E+00 volume  1.70631E+05 ppm1      3.709 ppm2      0.559 !1

ASSI {9}   (( resid 83   and name  HB1 ))   (  resid 8    and name  HG2#) 3.806 2.006 2.006 peak  1924 weight  1.00000E+00 volume  1.96601E+05 ppm1     -0.561 ppm2      3.574

ASSI {10}   (( resid 8    and name  HB  ))   (  resid 8    and name  HD1#) 2.943 1.143 1.143 peak  2750 weight  1.00000E+00 volume  1.68664E+06 ppm1     -0.086 ppm2     -0.369

ASSI {11}   (( resid 8    and name  HG12))   (  resid 8    and name  HD1#) 2.926 1.126 1.126 peak  2753 weight  1.00000E+00 volume  1.75559E+06 ppm1     -0.084 ppm2     -0.786

ASSI {12}   (( resid 83   and name  HB2 ))   (  resid 8    and name  HD1#) 3.835 2.034 2.034 peak  2768 weight  1.00000E+00 volume  1.83611E+05 ppm1     -0.087 ppm2      3.714

ASSI {13}   (( resid 18   and name  HA2 ))   (( resid 11   and name  HB1 )) 3.038 1.338 3.838 peak  2191 weight  1.00000E+00 volume  3.92781E+05 ppm1      3.214 ppm2      4.454 !3

ASSI {14}   (( resid 18   and name  HA2 ))   (( resid 11   and name  HB2 )) 3.42 1.72 5.139 peak  2192 weight  1.00000E+00 volume  1.53437E+05 ppm1      3.426 ppm2      4.462 !3

ASSI {15}   (( resid 41   and name  HG2 ))   (( resid 16   and name  HB1 )) 3.1 1.3 1.3 peak   253 weight  1.00000E+00 volume  3.33180E+05 ppm1      2.955 ppm2      1.271

ASSI {16}   (  resid 16   and name  HE# )   (  resid 66   and name  HB# ) 3.206 1.406 1.406 peak   658 weight  1.00000E+00 volume  4.98863E+05 ppm1      1.977 ppm2      7.272

ASSI {17}   (( resid 41   and name  HD1 ))   (( resid 16   and name  HB1 )) 3.367 1.567 1.567 peak   743 weight  1.00000E+00 volume  1.66662E+05 ppm1      1.359 ppm2      2.934

ASSI {18}   (( resid 18   and name  HA1 ))   (( resid 19   and name  HB2 )) 3.229 1.529 2.599 peak   477 weight  1.00000E+00 volume  2.34819E+05 ppm1      1.757 ppm2      3.830 !1

ASSI {19}   (  resid 19   and name  HD# )   (( resid 20   and name  HG1 )) 3.224 1.524 3.504 peak   172 weight  1.00000E+00 volume  2.33959E+05 ppm1      3.349 ppm2      1.422 !2

ASSI {20}   (( resid 20   and name  HG1 ))   (( resid 33   and name  HB1 )) 3.451 1.751 4.591 peak  1620 weight  1.00000E+00 volume  1.44935E+05 ppm1      3.111 ppm2      1.423 !2

ASSI {21}   (( resid 20   and name  HD1 ))   (  resid 30   and name  HD# ) 2.839 1.139 6.529 peak  2059 weight  1.00000E+00 volume  1.45950E+06 ppm1      2.992 ppm2      6.892 !2

ASSI {22}   (( resid 21   and name  HB1 ))   (( resid 21   and name  HB2 )) 2.79 0.9905 0.9905 peak   564 weight  1.00000E+00 volume  8.02242E+05 ppm1      2.794 ppm2      2.353

ASSI {23}   (( resid 21   and name  HB1 ))   (( resid 23   and name  HB1 )) 2.934 1.234 4.785 peak   699 weight  1.00000E+00 volume  5.90839E+05 ppm1      2.453 ppm2      2.834 !3

ASSI {24}   (( resid 23   and name  HB1 ))   (  resid 27   and name  HB# ) 3.182 1.482 2.512 peak   707 weight  1.00000E+00 volume  2.60232E+05 ppm1      2.450 ppm2      3.397 !2

ASSI {25}   (( resid 34   and name  HB1 ))   (( resid 30   and name  HB1 )) 3.359 1.659 3.509 peak  1334 weight  1.00000E+00 volume  1.57266E+05 ppm1      2.709 ppm2      1.915 !2

ASSI {26}   (( resid 53   and name  HB1 ))   (( resid 30   and name  HB2 )) 3.257 1.557 5.087 peak  2226 weight  1.00000E+00 volume  2.11953E+05 ppm1      1.599 ppm2      2.864 !2

ASSI {27}   (( resid 40   and name  HB  ))   (( resid 72   and name  HB2 )) 3.543 1.843 3.534 peak   994 weight  1.00000E+00 volume  1.09891E+05 ppm1      1.187 ppm2      2.402 !2

ASSI {28}   (  resid 62   and name  HD2#)   (( resid 40   and name  HG12)) 4.04 2.34 3.37 peak  2610 weight  1.00000E+00 volume  1.28087E+05 ppm1      0.693 ppm2     -0.235 !1

ASSI {29}   (( resid 73   and name  HH2 ))   (  resid 40   and name  HD1#) 3.241 1.541 2.421 peak  2874 weight  1.00000E+00 volume  7.19093E+05 ppm1     -0.590 ppm2      6.703 !1
OR {29}   (( resid 73   and name  HZ3 ))   (  resid 40   and name  HD1#)

ASSI {30}   (( resid 41   and name  HE2 ))   (( resid 7    and name  HE1 )) 3.052 1.352 6.472 peak   983 weight  1.00000E+00 volume  3.95000E+05 ppm1      1.689 ppm2      2.777 !2

ASSI {31}   (( resid 41   and name  HB1 ))   (  resid 7    and name  HE# ) 3.186 1.486 5.366 peak  1783 weight  1.00000E+00 volume  2.59665E+05 ppm1      1.757 ppm2      2.708 !3

ASSI {32}   (( resid 41   and name  HD1 ))   (( resid 7    and name  HE2 )) 3.595 1.895 3.245 peak  3709 weight  1.00000E+00 volume  9.30788E+04 ppm1      1.360 ppm2      2.666 !1

ASSI {33}   (( resid 8    and name  HG11))   (  resid 42   and name  HG2#) 3.399 1.599 1.599 peak   217 weight  1.00000E+00 volume  4.79887E+05 ppm1      1.085 ppm2      0.487

ASSI {34}   (( resid 47   and name  HB1 ))   (  resid 42   and name  HG2#) 3.879 2.079 2.079 peak   224 weight  1.00000E+00 volume  1.64937E+05 ppm1      1.080 ppm2      2.882

ASSI {35}   (( resid 47   and name  HB1 ))   (  resid 42   and name  HG1#) 3.372 1.672 2.672 peak   225 weight  1.00000E+00 volume  5.14525E+05 ppm1      0.702 ppm2      2.879 !1

ASSI {36}   (( resid 63   and name  HD2 ))   (  resid 42   and name  HG1#) 2.905 1.205 3.985 peak   231 weight  1.00000E+00 volume  1.81929E+06 ppm1      0.703 ppm2      4.182 !3

ASSI {37}   (  resid 8    and name  HD1#)   (  resid 42   and name  HG1#) 3.108 1.308 1.308 peak   242 weight  1.00000E+00 volume  3.10939E+06 ppm1      0.708 ppm2     -0.055

ASSI {38}   (  resid 62   and name  HD2#)   (  resid 42   and name  HG1#) 3.226 1.526 2.596 peak   243 weight  1.00000E+00 volume  2.28779E+06 ppm1      0.708 ppm2     -0.242 !1

ASSI {39}   (( resid 8    and name  HG12))   (  resid 42   and name  HG1#) 3.009 1.309 3.009 peak   245 weight  1.00000E+00 volume  1.35612E+06 ppm1      0.707 ppm2     -0.764 !2

ASSI {40}   (( resid 8    and name  HB  ))   (  resid 42   and name  HG1#) 2.982 1.182 1.182 peak  2541 weight  1.00000E+00 volume  1.45915E+06 ppm1      0.703 ppm2     -0.421

ASSI {41}   (( resid 43   and name  HG1 ))   (  resid 8    and name  HG2#) 3.85 2.15 5.54 peak  1923 weight  1.00000E+00 volume  1.75449E+05 ppm1     -0.556 ppm2      2.121 !3

ASSI {42}   (( resid 43   and name  HB2 ))   (  resid 8    and name  HD1#) 3.775 2.075 4.245 peak  2762 weight  1.00000E+00 volume  2.27793E+05 ppm1     -0.083 ppm2      1.928 !2

ASSI {43}   (  resid 8    and name  HG2#)   (( resid 45   and name  HA1 )) 3.823 2.123 6.043 peak  1925 weight  1.00000E+00 volume  1.78839E+05 ppm1     -0.552 ppm2      3.894 !4

ASSI {44}   (( resid 63   and name  HB1 ))   (( resid 47   and name  HD1 )) 2.862 1.162 5.842 peak  2253 weight  1.00000E+00 volume  6.51876E+05 ppm1      2.447 ppm2      6.963 !3

ASSI {45}   (  resid 8    and name  HD1#)   (( resid 47   and name  HE3 )) 3.67 1.97 2.499 peak  2775 weight  1.00000E+00 volume  2.67052E+05 ppm1     -0.086 ppm2      7.171 !1

ASSI {46}   (( resid 47   and name  HD1 ))   (( resid 6    and name  HB  )) 2.82 1.12 1.67 peak  2929 weight  1.00000E+00 volume  8.00430E+05 ppm1      4.080 ppm2      6.949 !1
OR {46}   (( resid 47   and name  HZ2 ))   (( resid 6    and name  HB  ))

ASSI {47}   (( resid 6    and name  HB  ))   (( resid 47   and name  HE1 )) 3.429 1.629 1.629 peak  2933 weight  1.00000E+00 volume  1.46878E+05 ppm1      4.081 ppm2      9.454

ASSI {48}   (  resid 49   and name  HG1#)   (  resid 85   and name  HB# ) 3.802 2.102 3.262 peak  1646 weight  1.00000E+00 volume  6.14300E+05 ppm1      1.072 ppm2      0.101 !1

ASSI {49}   (( resid 8    and name  HB  ))   (  resid 49   and name  HG1#) 3.471 1.671 1.671 peak  1648 weight  1.00000E+00 volume  3.96471E+05 ppm1      1.077 ppm2     -0.412

ASSI {50}   (( resid 8    and name  HB  ))   (  resid 49   and name  HG2#) 3.884 2.184 2.894 peak  1649 weight  1.00000E+00 volume  1.65313E+05 ppm1      0.842 ppm2     -0.411 !1

ASSI {51}   (  resid 49   and name  HG2#)   (  resid 85   and name  HB# ) 4.184 2.484 4.464 peak  3488 weight  1.00000E+00 volume  3.01707E+05 ppm1      0.830 ppm2      0.090 !2

ASSI {52}   (( resid 57   and name  HA1 ))   (( resid 51   and name  HG2 )) 3.202 1.402 1.402 peak   396 weight  1.00000E+00 volume  2.50851E+05 ppm1      3.692 ppm2      1.951

ASSI {53}   (( resid 78   and name  HB1 ))   (( resid 51   and name  HG2 )) 3.204 1.504 6.734 peak  2706 weight  1.00000E+00 volume  2.44003E+05 ppm1      2.592 ppm2      2.004 !3

ASSI {54}   (( resid 53   and name  HB1 ))   (( resid 54   and name  HB1 )) 2.834 1.134 4.064 peak   608 weight  1.00000E+00 volume  7.02223E+05 ppm1      2.643 ppm2      1.612 !3

ASSI {55}   (( resid 53   and name  HB2 ))   (( resid 81   and name  HB2 )) 3.55 1.75 1.75 peak  2371 weight  1.00000E+00 volume  1.06041E+05 ppm1      2.976 ppm2      2.205

ASSI {56}   (( resid 53   and name  HB2 ))   (( resid 81   and name  HB1 )) 3.326 1.626 2.146 peak  2372 weight  1.00000E+00 volume  2.00236E+05 ppm1      3.320 ppm2      2.199 !1

ASSI {57}   (  resid 62   and name  HD2#)   (  resid 8    and name  HD1#) 3.35 1.55 1.55 peak  2751 weight  1.00000E+00 volume  1.66208E+06 ppm1     -0.084 ppm2     -0.216

ASSI {58}   (( resid 64   and name  HB2 ))   (( resid 63   and name  HD2 )) 3.094 1.394 4.624 peak   732 weight  1.00000E+00 volume  3.41996E+05 ppm1      2.117 ppm2      4.186 !2

ASSI {59}   (( resid 72   and name  HB1 ))   (( resid 63   and name  HD2 )) 3.638 1.938 5.998 peak   922 weight  1.00000E+00 volume  9.79262E+04 ppm1      2.568 ppm2      4.186 !3

ASSI {60}   (( resid 67   and name  HB1 ))   (( resid 63   and name  HD2 )) 3.391 1.691 4.511 peak  1708 weight  1.00000E+00 volume  1.58878E+05 ppm1      3.790 ppm2      4.158 !2

ASSI {61}   (( resid 69   and name  HG2 ))   (( resid 70   and name  HB2 )) 3.08 1.38 4.97 peak   295 weight  1.00000E+00 volume  3.17567E+05 ppm1      2.204 ppm2      1.998 !2

ASSI {62}   (( resid 78   and name  HB2 ))   (( resid 73   and name  HB2 )) 3.17 1.47 7.62 peak   417 weight  1.00000E+00 volume  2.66146E+05 ppm1      3.468 ppm2      3.088 !2

ASSI {63}   (  resid 76   and name  HD1#)   (( resid 74   and name  HG1 )) 3.957 2.257 3.757 peak  1118 weight  1.00000E+00 volume  1.42153E+05 ppm1      2.881 ppm2      0.689 !1

ASSI {64}   (( resid 88   and name  HG  ))   (  resid 87   and name  HB# ) 2.83 1.13 3.46 peak  1001 weight  1.00000E+00 volume  8.01802E+05 ppm1      1.610 ppm2      3.052 !2

ASSI {65}   (( resid 88   and name  HB2 ))   (  resid 90   and name  HB# ) 3.188 1.488 1.888 peak  2701 weight  1.00000E+00 volume  2.56057E+05 ppm1      3.884 ppm2      1.433 !1

ASSI {66}   (  resid 90   and name  HB# )   (( resid 89   and name  HB2 )) 2.982 1.282 2.002 peak  2700 weight  1.00000E+00 volume  4.77099E+05 ppm1      3.883 ppm2      2.309 !1

ASSI {67}   (( resid 92   and name  HA2 ))   (( resid 93   and name  HG1 )) 2.756 1.056 1.526 peak  3044 weight  1.00000E+00 volume  9.27865E+05 ppm1      2.312 ppm2      3.954 !1

ASSI {68}   (( resid 92   and name  HA2 ))   (( resid 93   and name  HE22)) 3.103 1.403 4.682 peak  3432 weight  1.00000E+00 volume  3.27751E+05 ppm1      3.948 ppm2      6.830 !3

ASSI {69}   (( resid 94   and name  HB1 ))   (  resid 95   and name  HG# ) 3.29 1.59 3.37 peak  1938 weight  1.00000E+00 volume  1.62955E+05 ppm1      2.768 ppm2      1.233 !1

ASSI {70}   (( resid 95   and name  HD2 ))   (( resid 96   and name  HG11)) 3.562 1.862 2.932 peak   464 weight  1.00000E+00 volume  1.07656E+05 ppm1      1.529 ppm2      0.110 !2

ASSI {71}   (( resid 95   and name  HD2 ))   (( resid 95   and name  HE2 )) 2.657 0.8575 0.8575 peak   467 weight  1.00000E+00 volume  1.28757E+06 ppm1      1.531 ppm2      2.915

ASSI {72}   (( resid 96   and name  HG11))   (( resid 95   and name  HB2 )) 3.562 1.862 4.812 peak  1286 weight  1.00000E+00 volume  1.08030E+05 ppm1      2.078 ppm2      0.107 !2

ASSI {73}   (( resid 95   and name  HE2 ))   (( resid 95   and name  HB1 )) 3.049 1.349 2.629 peak  1290 weight  1.00000E+00 volume  3.65903E+05 ppm1      1.555 ppm2      2.926 !2

ASSI {74}   (( resid 95   and name  HE2 ))   (( resid 95   and name  HB2 )) 2.543 0.843 2.253 peak  1291 weight  1.00000E+00 volume  1.88923E+06 ppm1      2.073 ppm2      2.937 !2

ASSI {75}   (( resid 96   and name  HG12))   (  resid 95   and name  HG# ) 2.963 1.263 3.673 peak  1522 weight  1.00000E+00 volume  5.13802E+05 ppm1      1.272 ppm2      0.947 !2

ASSI {76}   (( resid 95   and name  HE2 ))   (  resid 95   and name  HG# ) 3.002 1.202 1.202 peak  1523 weight  1.00000E+00 volume  4.37496E+05 ppm1      1.269 ppm2      2.925

ASSI {77}   (( resid 96   and name  HG11))   (  resid 98   and name  HG2#) 2.965 1.265 2.474 peak  2743 weight  1.00000E+00 volume  1.54862E+06 ppm1      0.414 ppm2      0.120 !2

ASSI {78}   (( resid 100  and name  HG1 ))   (( resid 107  and name  HB2 )) 3.237 1.537 3.318 peak  1515 weight  1.00000E+00 volume  2.26720E+05 ppm1      2.055 ppm2      2.676 !2

ASSI {79}   (  resid 124  and name  HE# )   (  resid 101  and name  HE# ) 3.14 1.44 3.92 peak   375 weight  1.00000E+00 volume  8.90743E+05 ppm1      2.908 ppm2      1.981 !3

ASSI {80}   (( resid 101  and name  HG1 ))   (( resid 128  and name  HB2 )) 3.433 1.733 2.363 peak   384 weight  1.00000E+00 volume  1.36560E+05 ppm1      1.182 ppm2      3.104 !1

ASSI {81}   (( resid 101  and name  HB1 ))   (( resid 160  and name  HG1 )) 2.289 0.589 7.339 peak   688 weight  1.00000E+00 volume  5.24807E+06 ppm1      1.489 ppm2      1.835 !3

ASSI {82}   (( resid 106  and name  HA2 ))   (( resid 101  and name  HD1 )) 3.41 1.611 1.611 peak  2554 weight  1.00000E+00 volume  1.44935E+05 ppm1      4.081 ppm2      1.604

ASSI {83}   (( resid 102  and name  HA1 ))   (( resid 104  and name  HZ  )) 2.992 1.292 5.812 peak  1109 weight  1.00000E+00 volume  4.25889E+05 ppm1      3.849 ppm2      6.827 !2

ASSI {84}   (( resid 102  and name  HA1 ))   (( resid 168  and name  HB2 )) 3.076 1.376 4.496 peak  2157 weight  1.00000E+00 volume  3.54206E+05 ppm1      1.676 ppm2      3.884 !3

ASSI {85}   (( resid 128  and name  HB2 ))   (( resid 103  and name  HB1 )) 3.046 1.346 4.606 peak   681 weight  1.00000E+00 volume  3.88383E+05 ppm1      3.144 ppm2      2.634 !2

ASSI {86}   (( resid 103  and name  HB2 ))   (  resid 158  and name  HD# ) 2.944 1.244 3.564 peak  1068 weight  1.00000E+00 volume  4.95099E+05 ppm1      3.137 ppm2      2.349 !3

ASSI {87}   (( resid 158  and name  HB2 ))   (( resid 103  and name  HB1 )) 3.165 1.465 2.715 peak  2458 weight  1.00000E+00 volume  2.75357E+05 ppm1      2.605 ppm2      2.000 !2

ASSI {88}   (( resid 158  and name  HB2 ))   (( resid 103  and name  HB2 )) 2.627 0.927 2.418 peak  2459 weight  1.00000E+00 volume  1.60012E+06 ppm1      2.375 ppm2      2.010 !2

ASSI {89}   (( resid 103  and name  HB2 ))   (  resid 158  and name  HG# ) 2.768 1.068 3.469 peak  2460 weight  1.00000E+00 volume  9.86148E+05 ppm1      2.371 ppm2      1.697 !3

ASSI {90}   (  resid 104  and name  HD# )   (( resid 103  and name  HB1 )) 3.237 1.537 2.748 peak  2465 weight  1.00000E+00 volume  4.53611E+05 ppm1      2.603 ppm2      6.573 !2

ASSI {91}   (( resid 103  and name  HB1 ))   (  resid 104  and name  HE# ) 3.78 2.08 3.1 peak  2468 weight  1.00000E+00 volume  1.32185E+05 ppm1      2.605 ppm2      7.232 !1

ASSI {92}   (( resid 104  and name  HZ  ))   (  resid 158  and name  HG# ) 3.141 1.441 2.111 peak   184 weight  1.00000E+00 volume  2.93499E+05 ppm1      1.700 ppm2      6.879 !1

ASSI {93}   (( resid 108  and name  HG2 ))   (  resid 104  and name  HE# ) 3.15 1.45 6.44 peak  1451 weight  1.00000E+00 volume  6.01439E+05 ppm1      1.404 ppm2      7.168 !3

ASSI {94}   (  resid 131  and name  HG# )   (( resid 104  and name  HZ  )) 3.558 1.758 1.758 peak  2316 weight  1.00000E+00 volume  1.06819E+05 ppm1      1.532 ppm2      6.831

ASSI {95}   (  resid 123  and name  HB# )   (( resid 107  and name  HG2 )) 3.471 1.671 1.671 peak  1369 weight  1.00000E+00 volume  1.39190E+05 ppm1      1.826 ppm2      3.488

ASSI {96}   (( resid 107  and name  HB1 ))   (( resid 107  and name  HB2 )) 2.233 0.533 1.113 peak  1513 weight  1.00000E+00 volume  7.37601E+06 ppm1      2.053 ppm2      1.853 !1
OR {96}   (( resid 107  and name  HG2 ))   (( resid 107  and name  HB2 ))

ASSI {97}   (  resid 108  and name  HB# )   (  resid 122  and name  HD# ) 3.835 2.135 4.214 peak   716 weight  1.00000E+00 volume  1.11029E+05 ppm1      1.527 ppm2      6.534 !2

ASSI {98}   (( resid 109  and name  HB2 ))   (( resid 118  and name  HG11)) 3.433 1.733 5.603 peak   905 weight  1.00000E+00 volume  1.33680E+05 ppm1      1.720 ppm2      1.090 !3

ASSI {99}   (  resid 109  and name  HD# )   (( resid 110  and name  HB1 )) 3.237 1.537 3.247 peak  2252 weight  1.00000E+00 volume  4.58332E+05 ppm1      2.039 ppm2      6.969 !2
OR {99}   (  resid 109  and name  HE# )   (( resid 110  and name  HB1 ))

ASSI {100}   (( resid 109  and name  HB2 ))   (( resid 130  and name  HB2 )) 2.063 0.363 5.693 peak  3217 weight  1.00000E+00 volume  1.87322E+07 ppm1      1.686 ppm2      2.994 !3

ASSI {101}   (( resid 95   and name  HE2 ))   (( resid 110  and name  HB1 )) 2.906 1.206 2.546 peak  3084 weight  1.00000E+00 volume  5.03837E+05 ppm1      2.021 ppm2      2.929 !1

ASSI {102}   (( resid 113  and name  HB1 ))   (  resid 112  and name  HG2#) 3.639 1.939 2.269 peak   568 weight  1.00000E+00 volume  2.97290E+05 ppm1      1.492 ppm2      2.403 !1

ASSI {103}   (( resid 95   and name  HE2 ))   (  resid 112  and name  HG2#) 2.954 1.254 2.984 peak  3116 weight  1.00000E+00 volume  1.70317E+06 ppm1      1.492 ppm2      2.935 !3

ASSI {104}   (( resid 116  and name  HD1 ))   (( resid 114  and name  HB1 )) 3.202 1.502 3.552 peak  1238 weight  1.00000E+00 volume  2.54618E+05 ppm1      3.975 ppm2      3.266 !3

ASSI {105}   (( resid 115  and name  HB1 ))   (( resid 121  and name  HG2 )) 3.284 1.584 2.034 peak  2418 weight  1.00000E+00 volume  2.06605E+05 ppm1      2.355 ppm2      1.216 !1

ASSI {106}   (( resid 116  and name  HD1 ))   (( resid 116  and name  HG2 )) 2.655 0.955 1.794 peak  1244 weight  1.00000E+00 volume  1.32575E+06 ppm1      3.975 ppm2      2.017 !1

ASSI {107}   (( resid 116  and name  HD1 ))   (  resid 174  and name  HB# ) 3.304 1.604 2.654 peak  1247 weight  1.00000E+00 volume  1.97552E+05 ppm1      3.977 ppm2      1.693 !2

ASSI {108}   (( resid 116  and name  HD1 ))   (( resid 121  and name  HG2 )) 3.473 1.773 2.423 peak  1250 weight  1.00000E+00 volume  1.36743E+05 ppm1      3.985 ppm2      1.204 !1

ASSI {109}   (  resid 172  and name  HB# )   (( resid 116  and name  HD1 )) 3.304 1.604 2.364 peak  1256 weight  1.00000E+00 volume  2.12461E+05 ppm1      3.985 ppm2      4.232 !1

ASSI {110}   (( resid 116  and name  HD1 ))   (  resid 145  and name  HD# ) 3.739 2.039 3.459 peak  1260 weight  1.00000E+00 volume  1.46564E+05 ppm1      3.975 ppm2      6.736 !1
OR {110}   (( resid 116  and name  HD1 ))   (  resid 145  and name  HE# )

ASSI {111}   (( resid 171  and name  HG1 ))   (  resid 118  and name  HD1#) 3.702 2.002 2.911 peak   438 weight  1.00000E+00 volume  2.39316E+05 ppm1      2.538 ppm2      0.644 !1

ASSI {112}   (  resid 118  and name  HD1#)   (  resid 125  and name  HG# ) 3.398 1.698 4.168 peak  1628 weight  1.00000E+00 volume  4.54595E+05 ppm1      1.704 ppm2      0.598 !2

ASSI {113}   (( resid 118  and name  HG11))   (( resid 119  and name  HG2 )) 2.891 1.191 6.371 peak  1970 weight  1.00000E+00 volume  5.99548E+05 ppm1      2.662 ppm2      1.081 !3

ASSI {114}   (  resid 118  and name  HD1#)   (  resid 96   and name  HG2#) 4.525 2.725 2.725 peak  1978 weight  1.00000E+00 volume  1.53338E+05 ppm1      0.646 ppm2     -0.487

ASSI {115}   (  resid 119  and name  HE# )   (( resid 125  and name  HE  )) 3.33 1.53 1.53 peak   888 weight  1.00000E+00 volume  6.54972E+05 ppm1      1.947 ppm2      7.222

ASSI {116}   (( resid 122  and name  HB1 ))   (( resid 121  and name  HB1 )) 3.051 1.351 4.051 peak  2850 weight  1.00000E+00 volume  3.72675E+05 ppm1      1.541 ppm2      2.744 !2

ASSI {117}   (( resid 122  and name  HB1 ))   (( resid 121  and name  HB2 )) 3.455 1.755 3.645 peak  2851 weight  1.00000E+00 volume  1.30093E+05 ppm1      0.869 ppm2      2.742 !2

ASSI {118}   (( resid 122  and name  HB1 ))   (( resid 124  and name  HB2 )) 3.154 1.454 2.184 peak   816 weight  1.00000E+00 volume  3.05462E+05 ppm1      1.711 ppm2      2.743 !1

ASSI {119}   (( resid 124  and name  HB1 ))   (  resid 122  and name  HD# ) 3.468 1.768 2.597 peak   817 weight  1.00000E+00 volume  2.69260E+05 ppm1      2.221 ppm2      6.585 !1

ASSI {120}   (( resid 168  and name  HG2 ))   (  resid 125  and name  HD# ) 3.257 1.557 4.387 peak   953 weight  1.00000E+00 volume  2.51817E+05 ppm1      1.697 ppm2      3.268 !3

ASSI {121}   (  resid 125  and name  HG# )   (( resid 128  and name  HE1 )) 3.35 1.55 1.55 peak  1638 weight  1.00000E+00 volume  1.55485E+05 ppm1      1.719 ppm2      8.534

ASSI {122}   (  resid 126  and name  HG# )   (( resid 128  and name  HB2 )) 3.128 1.428 4.718 peak   680 weight  1.00000E+00 volume  3.17425E+05 ppm1      3.141 ppm2      2.255 !4

ASSI {123}   (  resid 126  and name  HG# )   (( resid 168  and name  HG2 )) 2.841 1.141 1.822 peak   934 weight  1.00000E+00 volume  6.79491E+05 ppm1      1.695 ppm2      2.220 !1

ASSI {124}   (( resid 167  and name  HB1 ))   (( resid 126  and name  HB1 )) 3.327 1.627 2.236 peak  1829 weight  1.00000E+00 volume  1.87043E+05 ppm1      4.170 ppm2      1.960 !1

ASSI {125}   (  resid 126  and name  HG# )   (( resid 168  and name  HD2 )) 3.295 1.595 3.555 peak  2906 weight  1.00000E+00 volume  1.85185E+05 ppm1      3.709 ppm2      2.246 !2

ASSI {126}   (  resid 126  and name  HG# )   (( resid 168  and name  HD1 )) 3.171 1.471 4.122 peak  2907 weight  1.00000E+00 volume  2.56296E+05 ppm1      3.659 ppm2      2.250 !3

ASSI {127}   (  resid 127  and name  HG2#)   (  resid 99   and name  HB# ) 3.938 2.238 2.888 peak   139 weight  1.00000E+00 volume  1.35191E+05 ppm1      3.403 ppm2      1.018 !1

ASSI {128}   (  resid 169  and name  HB# )   (  resid 127  and name  HD1#) 4.462 2.662 2.662 peak   473 weight  1.00000E+00 volume  1.77894E+05 ppm1      1.451 ppm2      0.308

ASSI {129}   (( resid 134  and name  HB2 ))   (( resid 94   and name  HB2 )) 2.941 1.241 2.661 peak   583 weight  1.00000E+00 volume  5.28928E+05 ppm1      1.600 ppm2      2.694 !2

ASSI {130}   (( resid 134  and name  HG1 ))   (  resid 90   and name  HB# ) 3.017 1.317 4.297 peak  2704 weight  1.00000E+00 volume  4.21198E+05 ppm1      3.884 ppm2      2.214 !2

ASSI {131}   (( resid 136  and name  HB  ))   (( resid 137  and name  HB2 )) 3.481 1.781 2.601 peak  1686 weight  1.00000E+00 volume  1.18414E+05 ppm1      1.812 ppm2      2.633 !1

ASSI {132}   (( resid 138  and name  HG11))   (( resid 137  and name  HE3 )) 2.938 1.238 4.628 peak    10 weight  1.00000E+00 volume  5.27853E+05 ppm1      1.486 ppm2      7.265 !1

ASSI {133}   (( resid 95   and name  HD2 ))   (( resid 137  and name  HZ3 )) 2.824 1.124 4.274 peak   471 weight  1.00000E+00 volume  7.33928E+05 ppm1      1.522 ppm2      7.276 !3

ASSI {134}   (( resid 137  and name  HB2 ))   (( resid 96   and name  HB  )) 3.671 1.971 3.772 peak  1895 weight  1.00000E+00 volume  9.11294E+04 ppm1      0.050 ppm2      2.641 !2

ASSI {135}   (  resid 138  and name  HG2#)   (( resid 174  and name  HD2 )) 4.1 2.3 2.3 peak  1640 weight  1.00000E+00 volume  9.94409E+04 ppm1      2.393 ppm2      0.342

ASSI {136}   (  resid 138  and name  HD1#)   (( resid 175  and name  HB2 )) 3.548 1.848 3.208 peak  1980 weight  1.00000E+00 volume  3.56879E+05 ppm1      0.785 ppm2      0.125 !2

ASSI {137}   (  resid 138  and name  HG2#)   (( resid 145  and name  HB1 )) 3.78 1.98 1.98 peak  2524 weight  1.00000E+00 volume  2.12580E+05 ppm1      0.321 ppm2      2.902

ASSI {138}   (  resid 146  and name  HG# )   (  resid 140  and name  HE# ) 3.567 1.767 1.767 peak  1004 weight  1.00000E+00 volume  2.05002E+05 ppm1      1.614 ppm2      6.594

ASSI {139}   (( resid 174  and name  HB1 ))   (( resid 140  and name  HB2 )) 3.384 1.684 3.634 peak  1317 weight  1.00000E+00 volume  1.64751E+05 ppm1      1.727 ppm2      3.640 !3

ASSI {140}   (  resid 140  and name  HD# )   (( resid 145  and name  HB2 )) 3.46 1.76 3.079 peak  2247 weight  1.00000E+00 volume  2.74905E+05 ppm1      1.858 ppm2      7.170 !1

ASSI {141}   (( resid 144  and name  HB2 ))   (( resid 140  and name  HB1 )) 3.321 1.621 4.501 peak  2393 weight  1.00000E+00 volume  1.80648E+05 ppm1      2.538 ppm2      3.314 !3

ASSI {142}   (( resid 144  and name  HB2 ))   (  resid 140  and name  HD# ) 3.306 1.606 4.086 peak  2405 weight  1.00000E+00 volume  3.74454E+05 ppm1      2.538 ppm2      7.126 !2

ASSI {143}   (( resid 141  and name  HB2 ))   (( resid 140  and name  HB1 )) 3.351 1.651 2.731 peak  3028 weight  1.00000E+00 volume  1.69759E+05 ppm1      2.347 ppm2      3.332 !1

ASSI {144}   (( resid 141  and name  HG2 ))   (( resid 167  and name  HB1 )) 3.392 1.692 4.482 peak  1827 weight  1.00000E+00 volume  1.60702E+05 ppm1      4.157 ppm2      2.290 !3

ASSI {145}   (( resid 141  and name  HG2 ))   (( resid 167  and name  HB2 )) 3.426 1.726 4.097 peak  1828 weight  1.00000E+00 volume  1.31436E+05 ppm1      3.780 ppm2      2.292 !3

ASSI {146}   (( resid 147  and name  HA2 ))   (( resid 142  and name  HG  )) 2.853 1.153 3.003 peak  2140 weight  1.00000E+00 volume  7.05715E+05 ppm1      1.564 ppm2      4.307 !2

ASSI {147}   (( resid 144  and name  HB2 ))   (  resid 142  and name  HD1#) 3.393 1.693 4.833 peak  2391 weight  1.00000E+00 volume  4.81794E+05 ppm1      2.535 ppm2      0.975 !2

ASSI {148}   (( resid 171  and name  HG1 ))   (( resid 143  and name  HD1 )) 2.961 1.261 2.001 peak   441 weight  1.00000E+00 volume  4.77684E+05 ppm1      2.536 ppm2      3.683 !1

ASSI {149}   (( resid 147  and name  HA1 ))   (( resid 143  and name  HD1 )) 2.819 1.119 3.569 peak  1578 weight  1.00000E+00 volume  8.14519E+05 ppm1      3.680 ppm2      3.846 !1

ASSI {150}   (( resid 144  and name  HB2 ))   (( resid 174  and name  HG2 )) 3.276 1.576 5.236 peak  3712 weight  1.00000E+00 volume  2.11644E+05 ppm1      2.531 ppm2      1.290 !2

ASSI {151}   (( resid 147  and name  HA1 ))   (( resid 149  and name  HB2 )) 2.838 1.138 4.858 peak   330 weight  1.00000E+00 volume  6.67411E+05 ppm1      1.559 ppm2      3.835 !3

ASSI {152}   (  resid 150  and name  HE# )   (  resid 166  and name  HB# ) 3.961 2.161 2.161 peak   307 weight  1.00000E+00 volume  2.86551E+05 ppm1      1.426 ppm2      6.708

ASSI {153}   (( resid 168  and name  HD1 ))   (( resid 160  and name  HB1 )) 3.144 1.345 1.345 peak   540 weight  1.00000E+00 volume  2.77726E+05 ppm1      1.508 ppm2      3.653

ASSI {154}   (( resid 168  and name  HD2 ))   (( resid 160  and name  HB1 )) 3.272 1.473 1.473 peak   541 weight  1.00000E+00 volume  1.99483E+05 ppm1      1.507 ppm2      3.707

ASSI {155}   (( resid 160  and name  HD2 ))   (( resid 160  and name  HB1 )) 3.085 1.285 1.285 peak   542 weight  1.00000E+00 volume  3.35401E+05 ppm1      1.513 ppm2      4.098

ASSI {156}   (( resid 160  and name  HB1 ))   (( resid 163  and name  HD1 )) 3.461 1.761 3.351 peak   545 weight  1.00000E+00 volume  1.39670E+05 ppm1      1.509 ppm2      6.191 !2

ASSI {157}   (( resid 160  and name  HB1 ))   (( resid 163  and name  HH2 )) 3.303 1.503 1.503 peak   546 weight  1.00000E+00 volume  1.96674E+05 ppm1      1.506 ppm2      6.502
OR {157}   (( resid 160  and name  HB1 ))   (( resid 163  and name  HZ3 ))

ASSI {158}   (( resid 160  and name  HD1 ))   (( resid 161  and name  HB  )) 3.538 1.838 2.888 peak  1664 weight  1.00000E+00 volume  1.08909E+05 ppm1      1.658 ppm2      3.377 !1

ASSI {159}   (( resid 160  and name  HD1 ))   (( resid 168  and name  HG2 )) 2.998 1.298 3.228 peak  1780 weight  1.00000E+00 volume  4.47262E+05 ppm1      1.710 ppm2      3.456 !2

ASSI {160}   (  resid 161  and name  HD1#)   (  resid 166  and name  HB# ) 3.466 1.666 1.666 peak   297 weight  1.00000E+00 volume  1.18879E+06 ppm1      1.431 ppm2      0.724
OR {160}   (  resid 161  and name  HG2#)   (  resid 166  and name  HB# )

ASSI {161}   (( resid 162  and name  HB2 ))   (  resid 161  and name  HG2#) 3.362 1.662 2.392 peak  1754 weight  1.00000E+00 volume  5.70123E+05 ppm1      0.726 ppm2      3.080 !1

ASSI {162}   (( resid 171  and name  HG1 ))   (  resid 170  and name  HG1#) 3.905 2.205 3.396 peak   440 weight  1.00000E+00 volume  1.52163E+05 ppm1      2.534 ppm2      0.490 !2

ASSI {163}   (  resid 172  and name  HB# )   (( resid 173  and name  HB2 )) 2.927 1.227 3.847 peak  1274 weight  1.00000E+00 volume  4.99789E+05 ppm1      4.219 ppm2      3.791 !3

ASSI {164}   (  resid 177  and name  HG# )   (( resid 174  and name  HG2 )) 3.376 1.676 3.756 peak  1359 weight  1.00000E+00 volume  4.80420E+05 ppm1      0.576 ppm2      1.239 !1

ASSI {165}   (( resid 176  and name  HG12))   (( resid 175  and name  HB2 )) 3.471 1.771 2.891 peak  2105 weight  1.00000E+00 volume  1.36286E+05 ppm1      1.363 ppm2      0.141 !2

!ASSI {166}   (( resid 148  and name  HD1 ))   (  resid 142  and name  HD# ) 3.399 1.699 4.639 peak   167 weight  1.00000E+00 volume  4.42924E+05 ppm1      3.237 ppm2      0.948 !3

!ASSI {167}   (( resid 171  and name  HG1 ))   (( resid 147  and name  HA1 )) 3.212 1.512 5.292 peak   442 weight  1.00000E+00 volume  2.45798E+05 ppm1      2.535 ppm2      3.874 !4

!ASSI {168}   (( resid 80   and name  HB1 ))   (( resid 83   and name  HB2 )) 3.61 1.91 5.2 peak    82 weight  1.00000E+00 volume  9.51799E+04 ppm1      3.738 ppm2      1.577 !4

!ASSI {169}   (( resid 7    and name  HG1 ))   (( resid 47   and name  HB1 )) 2.593 0.893 6.353 peak   120 weight  1.00000E+00 volume  1.89807E+06 ppm1      1.178 ppm2      2.884 !3

!ASSI {170}   (( resid 40   and name  HG11))   (( resid 72   and name  HB1 )) 3.238 1.538 6.258 peak   919 weight  1.00000E+00 volume  2.35583E+05 ppm1      2.568 ppm2      1.348 !3

!ASSI {171}   (( resid 147  and name  HA2 ))   (  resid 58   and name  HD# ) 3.701 2.001 4.671 peak  1611 weight  1.00000E+00 volume  1.70794E+05 ppm1      4.330 ppm2      7.215 !3

!ASSI {172}   (  resid 48   and name  HB# )   (( resid 149  and name  HG2 )) 3.939 2.239 5.289 peak  2445 weight  1.00000E+00 volume  1.47063E+05 ppm1      1.115 ppm2      2.451 !3

!ASSI {173}   (( resid 12   and name  HG2 ))   (( resid 20   and name  HG2 )) 3.508 1.808 6.648 peak  2363 weight  1.00000E+00 volume  1.26689E+05 ppm1      2.753 ppm2      1.065 !4

!ASSI {174}   (( resid 60   and name  HB1 ))   (( resid 51   and name  HG1 )) 2.994 1.294 5.754 peak  1551 weight  1.00000E+00 volume  4.39032E+05 ppm1      2.353 ppm2      2.744 !2

!ASSI {175}   (( resid 11   and name  HB2 ))   (( resid 68   and name  HB1 )) 3.224 1.524 5.804 peak  1185 weight  1.00000E+00 volume  2.28420E+05 ppm1      2.101 ppm2      3.358 !3

!ASSI {176}   (( resid 63   and name  HD1 ))   (( resid 42   and name  HB  )) 2.934 1.234 5.984 peak  1812 weight  1.00000E+00 volume  4.85548E+05 ppm1      2.461 ppm2      3.657 !4

!ASSI {177}   (( resid 115  and name  HB2 ))   (( resid 140  and name  HB2 )) 3.694 1.994 5.233 peak  2424 weight  1.00000E+00 volume  7.79062E+04 ppm1      1.046 ppm2      3.639 !3

!ASSI {178}   (  resid 62   and name  HD1#)   (( resid 86   and name  HB  )) 3.615 1.915 5.386 peak  2179 weight  1.00000E+00 volume  2.72572E+05 ppm1      1.559 ppm2      0.317 !3

!ASSI {179}   (  resid 62   and name  HD2#)   (  resid 136  and name  HG1#) 4.635 2.935 5.025 peak   324 weight  1.00000E+00 volume  1.26013E+05 ppm1      0.996 ppm2     -0.286 !2

!ASSI {180}   (( resid 53   and name  HB2 ))   (  resid 80   and name  HD1#) 3.769 2.069 4.629 peak  2223 weight  1.00000E+00 volume  1.91155E+05 ppm1      2.156 ppm2      1.143 !2

!ASSI {181}   (( resid 61   and name  HB  ))   (( resid 74   and name  HB2 )) 3.172 1.472 7.202 peak  1900 weight  1.00000E+00 volume  2.70597E+05 ppm1      2.810 ppm2      2.018 !4

!ASSI {182}   (( resid 60   and name  HB1 ))   (( resid 148  and name  HB1 )) 3.042 1.342 6.452 peak  1548 weight  1.00000E+00 volume  4.14051E+05 ppm1      2.370 ppm2      1.703 !3

!ASSI {183}   (( resid 164  and name  HA1 ))   (  resid 55   and name  HB# ) 3.336 1.636 5.136 peak  1848 weight  1.00000E+00 volume  1.77616E+05 ppm1      1.721 ppm2      3.810 !3

!ASSI {184}   (  resid 76   and name  HD1#)   (( resid 71   and name  HG1 )) 3.816 2.116 5.696 peak  1961 weight  1.00000E+00 volume  1.66493E+05 ppm1      2.453 ppm2      0.692 !3

!ASSI {185}   (( resid 157  and name  HB2 ))   (( resid 104  and name  HB2 )) 2.908 1.208 6.608 peak   641 weight  1.00000E+00 volume  5.85357E+05 ppm1      2.074 ppm2      2.740 !2

!ASSI {186}   (  resid 127  and name  HG2#)   (( resid 137  and name  HD1 )) 3.336 1.636 4.786 peak    77 weight  1.00000E+00 volume  5.66640E+05 ppm1      1.007 ppm2      6.860 !3

!ASSI {187}   (( resid 148  and name  HG2 ))   (  resid 138  and name  HG2#) 3.959 2.259 4.989 peak  1786 weight  1.00000E+00 volume  1.43926E+05 ppm1      1.789 ppm2      0.352 !3

!ASSI {188}   (  resid 62   and name  HD2#)   (  resid 176  and name  HD1#) 4.625 2.925 3.505 peak  1875 weight  1.00000E+00 volume  1.30670E+05 ppm1      0.661 ppm2     -0.200 !1

!ASSI {189}   (( resid 113  and name  HB2 ))   (( resid 121  and name  HB2 )) 2.837 1.137 6.367 peak  1484 weight  1.00000E+00 volume  7.21196E+05 ppm1      1.948 ppm2      0.931 !3

!ASSI {190}   (  resid 170  and name  HG1#)   (( resid 143  and name  HD2 )) 3.761 2.061 5.651 peak  1575 weight  1.00000E+00 volume  2.23041E+05 ppm1      3.617 ppm2      0.523 !4

!ASSI {191}   (  resid 62   and name  HD2#)   (  resid 151  and name  HD# ) 4.536 2.836 4.666 peak  1140 weight  1.00000E+00 volume  1.56870E+05 ppm1      0.735 ppm2     -0.245 !2

!ASSI {192}   (( resid 20   and name  HB2 ))   (( resid 13   and name  HB2 )) 3.405 1.705 5.565 peak  2303 weight  1.00000E+00 volume  1.46473E+05 ppm1      2.779 ppm2      1.313 !3

!ASSI {193}   (( resid 23   and name  HB2 ))   (  resid 42   and name  HG1#) 3.158 1.458 6.368 peak   226 weight  1.00000E+00 volume  8.67368E+05 ppm1      0.701 ppm2      3.034 !4

!ASSI {194}   (( resid 57   and name  HA2 ))   (  resid 55   and name  HB# ) 3.496 1.796 5.046 peak  1851 weight  1.00000E+00 volume  1.19510E+05 ppm1      1.733 ppm2      4.258 !2

!ASSI {195}   (( resid 75   and name  HA1 ))   (  resid 67   and name  HE# ) 3.456 1.756 6.596 peak   727 weight  1.00000E+00 volume  2.81383E+05 ppm1      2.867 ppm2      6.894 !3

!ASSI {196}   (( resid 12   and name  HG1 ))   (( resid 20   and name  HG2 )) 3.482 1.782 7.053 peak  2362 weight  1.00000E+00 volume  1.42378E+05 ppm1      2.793 ppm2      1.068 !4

!ASSI {197}   (( resid 34   and name  HB1 ))   (  resid 27   and name  HB# ) 3.141 1.441 7.911 peak  2900 weight  1.00000E+00 volume  2.93661E+05 ppm1      3.458 ppm2      1.921 !4

!ASSI {198}   (( resid 145  and name  HB1 ))   (( resid 143  and name  HD1 )) 3.21 1.51 7.49 peak  1563 weight  1.00000E+00 volume  2.36414E+05 ppm1      3.677 ppm2      2.902 !3

!ASSI {199}   (( resid 174  and name  HB1 ))   (( resid 63   and name  HB1 )) 2.39 0.69 8.98 peak  2249 weight  1.00000E+00 volume  3.41763E+06 ppm1      2.441 ppm2      1.776 !2

!!ASSI {200}   (  resid 62   and name  HD2#)   (( resid 11   and name  HB1 )) 3.988 2.288 6.888 peak  2189 weight  1.00000E+00 volume  1.35758E+05 ppm1      3.234 ppm2     -0.242 !3

!ASSI {201}   (( resid 20   and name  HB2 ))   (( resid 13   and name  HB1 )) 2.913 1.213 7.423 peak  2304 weight  1.00000E+00 volume  5.29862E+05 ppm1      2.334 ppm2      1.319 !3

!ASSI {202}   (( resid 34   and name  HB1 ))   (( resid 83   and name  HB2 )) 3.228 1.528 8.638 peak    80 weight  1.00000E+00 volume  2.20541E+05 ppm1      3.728 ppm2      1.924 !3

!ASSI {203}   (( resid 34   and name  HB1 ))   (( resid 83   and name  HB1 )) 3.128 1.428 7.068 peak    81 weight  1.00000E+00 volume  2.99516E+05 ppm1      3.613 ppm2      1.917 !3

!ASSI {204}   (( resid 70   and name  HB1 ))   (( resid 74   and name  HG1 )) 3.154 1.454 8.574 peak  1113 weight  1.00000E+00 volume  2.68506E+05 ppm1      2.875 ppm2      2.262 !3

ASSI {0}   (( resid 3    and name  HA  ))   (( resid 2    and name  HB2 )) 2.855 1.155 3.065 peak 15814 weight  1.00000E+00 volume  5.55138E+05 ppm1      4.433 ppm2      3.846 !3

ASSI {1}   (( resid 2    and name  HA  ))   (  resid 4    and name  HG2#) 3.739 2.039 4.189 peak 22734 weight  1.00000E+00 volume  1.75650E+05 ppm1      4.531 ppm2      1.252 !3

ASSI {2}   (( resid 4    and name  HA  ))   (( resid 3    and name  HB1 )) 3.076 1.376 3.566 peak 21663 weight  1.00000E+00 volume  2.90835E+05 ppm1      4.364 ppm2      1.865 !3

ASSI {3}   (  resid 6    and name  HG2#)   (( resid 4    and name  HA  )) 3.277 1.577 3.707 peak 13938 weight  1.00000E+00 volume  5.30151E+05 ppm1      4.372 ppm2      1.026 !3

ASSI {4}   (  resid 5    and name  HA# )   (( resid 4    and name  HA  )) 2.835 1.135 1.695 peak 13977 weight  1.00000E+00 volume  6.14627E+05 ppm1      3.996 ppm2      4.345 !1

ASSI {5}   (( resid 4    and name  HA  ))   (( resid 4    and name  HB  )) 2.17 0.47 1.07 peak 14352 weight  1.00000E+00 volume  8.05746E+06 ppm1      4.289 ppm2      4.394 !1

ASSI {6}   (( resid 4    and name  HA  ))   (  resid 4    and name  HG2#) 2.6 0.8 0.8 peak 17549 weight  1.00000E+00 volume  4.11074E+06 ppm1      1.217 ppm2      4.394

ASSI {7}   (( resid 9    and name  HB  ))   (( resid 9    and name  HA  )) 3.155 1.355 1.355 peak 14073 weight  1.00000E+00 volume  2.28325E+05 ppm1      4.605 ppm2      3.497

ASSI {8}   (( resid 10   and name  HB1 ))   (( resid 38   and name  HA  )) 3.096 1.396 3.596 peak 13593 weight  1.00000E+00 volume  2.20492E+05 ppm1      2.568 ppm2      5.269 !1

ASSI {9}   (( resid 10   and name  HA  ))   (  resid 30   and name  HE# ) 3.699 1.898 1.898 peak 14690 weight  1.00000E+00 volume  1.24970E+05 ppm1      4.642 ppm2      6.386

ASSI {10}   (( resid 10   and name  HA  ))   (( resid 9    and name  HN  )) 3.001 1.301 2.221 peak 14696 weight  1.00000E+00 volume  3.42670E+05 ppm1      4.652 ppm2      8.330 !1

ASSI {11}   (( resid 37   and name  HB2 ))   (( resid 10   and name  HA  )) 3.141 1.441 3.951 peak 18772 weight  1.00000E+00 volume  2.37545E+05 ppm1      2.749 ppm2      4.660 !2

ASSI {12}   (  resid 10   and name  HE# )   (( resid 83   and name  HA  )) 3.216 1.516 2.366 peak 19784 weight  1.00000E+00 volume  3.86479E+05 ppm1      6.448 ppm2      7.077 !1

ASSI {13}   (( resid 10   and name  HB1 ))   (( resid 80   and name  HA  )) 3.231 1.531 4.891 peak 20516 weight  1.00000E+00 volume  1.68273E+05 ppm1      4.988 ppm2      2.536 !3

ASSI {14}   (  resid 10   and name  HD# )   (( resid 80   and name  HA  )) 3.713 2.013 2.423 peak 22785 weight  1.00000E+00 volume  1.09777E+05 ppm1      4.995 ppm2      6.545 !1

ASSI {15}   (( resid 11   and name  HN  ))   (( resid 12   and name  HB2 )) 3.133 1.433 3.473 peak 15296 weight  1.00000E+00 volume  2.31605E+05 ppm1      2.227 ppm2      9.048 !2

ASSI {16}   (( resid 11   and name  HN  ))   (( resid 12   and name  HB1 )) 2.915 1.215 4.455 peak 15298 weight  1.00000E+00 volume  4.38117E+05 ppm1      2.127 ppm2      9.050 !2

ASSI {17}   (( resid 37   and name  HA  ))   (( resid 11   and name  HB2 )) 3.314 1.614 2.544 peak 16305 weight  1.00000E+00 volume  1.47475E+05 ppm1      5.313 ppm2      3.387 !2

ASSI {18}   (( resid 20   and name  HA  ))   (( resid 11   and name  HB2 )) 3.43 1.73 2.41 peak 18609 weight  1.00000E+00 volume  1.04643E+05 ppm1      3.402 ppm2      5.738 !1

ASSI {19}   (( resid 11   and name  HB2 ))   (( resid 16   and name  HA  )) 3.159 1.359 1.359 peak 19929 weight  1.00000E+00 volume  2.44093E+05 ppm1      2.852 ppm2      3.428

ASSI {20}   (( resid 11   and name  HB2 ))   (( resid 14   and name  HA  )) 3.294 1.494 1.494 peak 20710 weight  1.00000E+00 volume  1.70698E+05 ppm1      3.869 ppm2      3.373

ASSI {21}   (( resid 11   and name  HA  ))   (  resid 11   and name  HE# ) 3.175 1.374 1.374 peak 22182 weight  1.00000E+00 volume  4.12638E+05 ppm1      5.462 ppm2      7.018

ASSI {22}   (( resid 12   and name  HB1 ))   (( resid 13   and name  HA  )) 2.894 1.194 1.544 peak 11058 weight  1.00000E+00 volume  4.85322E+05 ppm1      5.399 ppm2      2.145 !1

ASSI {23}   (( resid 12   and name  HA  ))   (( resid 36   and name  HN  )) 3.142 1.342 1.342 peak 14811 weight  1.00000E+00 volume  2.36771E+05 ppm1      4.701 ppm2      7.931

ASSI {24}   (( resid 17   and name  HA  ))   (( resid 12   and name  HB1 )) 2.943 1.243 3.953 peak 19052 weight  1.00000E+00 volume  3.98873E+05 ppm1      4.636 ppm2      2.105 !2

ASSI {25}   (( resid 12   and name  HB2 ))   (( resid 16   and name  HA  )) 3.373 1.673 4.983 peak 19923 weight  1.00000E+00 volume  1.35236E+05 ppm1      2.849 ppm2      2.228 !2

ASSI {26}   (( resid 38   and name  HA  ))   (( resid 13   and name  HA  )) 2.663 0.963 3.944 peak 11046 weight  1.00000E+00 volume  9.62472E+05 ppm1      5.400 ppm2      5.267 !3

ASSI {27}   (( resid 17   and name  HE22))   (( resid 13   and name  HA  )) 3.22 1.52 4.47 peak 11065 weight  1.00000E+00 volume  1.88401E+05 ppm1      5.402 ppm2      6.929 !3

ASSI {28}   (  resid 14   and name  HE# )   (( resid 38   and name  HA  )) 3.099 1.399 4.259 peak 15223 weight  1.00000E+00 volume  2.57556E+05 ppm1      5.291 ppm2      2.953 !3

ASSI {29}   (( resid 14   and name  HB1 ))   (( resid 15   and name  HA  )) 2.661 0.961 1.532 peak 15996 weight  1.00000E+00 volume  1.00118E+06 ppm1      3.166 ppm2      1.846 !1

ASSI {30}   (( resid 14   and name  HA  ))   (( resid 15   and name  HA  )) 2.641 0.941 1.801 peak 16002 weight  1.00000E+00 volume  1.08633E+06 ppm1      3.162 ppm2      3.888 !1

ASSI {31}   (( resid 69   and name  HG1 ))   (( resid 14   and name  HA  )) 2.552 0.852 2.512 peak 20715 weight  1.00000E+00 volume  1.51285E+06 ppm1      3.860 ppm2      2.044 !2

ASSI {32}   (( resid 67   and name  HA  ))   (( resid 15   and name  HA  )) 3.101 1.401 4.551 peak 16004 weight  1.00000E+00 volume  2.75734E+05 ppm1      3.159 ppm2      5.126 !3

ASSI {33}   (  resid 16   and name  HE# )   (( resid 15   and name  HA  )) 3.181 1.381 1.381 peak 16007 weight  1.00000E+00 volume  4.28589E+05 ppm1      3.167 ppm2      7.289

ASSI {34}   (( resid 15   and name  HD21))   (( resid 15   and name  HA  )) 3.098 1.298 1.298 peak 16008 weight  1.00000E+00 volume  2.55046E+05 ppm1      3.168 ppm2      7.490

ASSI {35}   (( resid 15   and name  HB1 ))   (( resid 68   and name  HA  )) 2.853 1.153 2.643 peak 19390 weight  1.00000E+00 volume  5.34634E+05 ppm1      2.534 ppm2      3.653 !2

ASSI {36}   (( resid 15   and name  HB2 ))   (( resid 68   and name  HA  )) 3.285 1.585 2.705 peak 19391 weight  1.00000E+00 volume  1.61695E+05 ppm1      2.818 ppm2      3.653 !2

ASSI {37}   (( resid 18   and name  HA2 ))   (( resid 17   and name  HN  )) 3.434 1.734 2.545 peak 17171 weight  1.00000E+00 volume  1.15779E+05 ppm1      4.513 ppm2      6.239 !1

ASSI {38}   (( resid 17   and name  HA  ))   (( resid 19   and name  HA  )) 3.089 1.389 3.979 peak 19041 weight  1.00000E+00 volume  2.59795E+05 ppm1      4.635 ppm2      4.162 !2

ASSI {39}   (  resid 19   and name  HD# )   (( resid 33   and name  HA  )) 3.138 1.438 3.298 peak 17110 weight  1.00000E+00 volume  2.34502E+05 ppm1      4.434 ppm2      3.371 !2

ASSI {40}   (( resid 20   and name  HD1 ))   (( resid 19   and name  HA  )) 3.444 1.744 3.574 peak 18889 weight  1.00000E+00 volume  1.10615E+05 ppm1      4.190 ppm2      2.959 !2

ASSI {41}   (( resid 20   and name  HG1 ))   (( resid 19   and name  HA  )) 2.787 1.087 2.157 peak 18894 weight  1.00000E+00 volume  7.04816E+05 ppm1      4.201 ppm2      1.435 !1

ASSI {42}   (( resid 20   and name  HG2 ))   (( resid 19   and name  HA  )) 3.066 1.366 3.306 peak 18896 weight  1.00000E+00 volume  2.92744E+05 ppm1      4.199 ppm2      1.135 !2

ASSI {43}   (  resid 34   and name  HD1#)   (( resid 19   and name  HA  )) 3.498 1.699 1.699 peak 18897 weight  1.00000E+00 volume  2.84543E+05 ppm1      4.196 ppm2      0.841

ASSI {44}   (( resid 20   and name  HB2 ))   (( resid 22   and name  HN  )) 3.387 1.687 2.557 peak 13928 weight  1.00000E+00 volume  1.22952E+05 ppm1      1.366 ppm2      7.576 !1

ASSI {45}   (( resid 20   and name  HD2 ))   (( resid 22   and name  HN  )) 2.813 1.013 1.013 peak 17377 weight  1.00000E+00 volume  6.22224E+05 ppm1      3.072 ppm2      7.549

ASSI {46}   (( resid 20   and name  HD1 ))   (( resid 22   and name  HN  )) 2.811 1.111 2.35 peak 17378 weight  1.00000E+00 volume  6.39316E+05 ppm1      2.993 ppm2      7.546 !1

ASSI {47}   (( resid 34   and name  HB2 ))   (( resid 21   and name  HA  )) 3.24 1.54 2.17 peak 18725 weight  1.00000E+00 volume  1.79521E+05 ppm1      4.641 ppm2      1.278 !1

ASSI {48}   (( resid 21   and name  HA  ))   (( resid 33   and name  HB1 )) 3.175 1.475 2.095 peak 18729 weight  1.00000E+00 volume  2.05130E+05 ppm1      4.642 ppm2      3.129 !1

ASSI {49}   (( resid 24   and name  HA  ))   (  resid 22   and name  HB# ) 3.282 1.582 3.692 peak 14935 weight  1.00000E+00 volume  1.54461E+05 ppm1      2.175 ppm2      5.306 !2

ASSI {50}   (( resid 7    and name  HE2 ))   (( resid 23   and name  HA  )) 3.216 1.516 4.286 peak 13124 weight  1.00000E+00 volume  1.50946E+05 ppm1      4.580 ppm2      2.659 !3

ASSI {51}   (( resid 7    and name  HE1 ))   (( resid 24   and name  HA  )) 2.861 1.161 4.061 peak 17239 weight  1.00000E+00 volume  5.06445E+05 ppm1      5.280 ppm2      2.750 !3

ASSI {52}   (( resid 24   and name  HA  ))   (  resid 42   and name  HG1#) 3.609 1.909 3.568 peak 17249 weight  1.00000E+00 volume  2.19334E+05 ppm1      5.273 ppm2      0.697 !2

ASSI {53}   (( resid 24   and name  HA  ))   (( resid 47   and name  HZ2 )) 2.865 1.065 1.065 peak 17252 weight  1.00000E+00 volume  5.30649E+05 ppm1      5.270 ppm2      6.940

ASSI {54}   (( resid 24   and name  HA  ))   (  resid 8    and name  HG2#) 3.665 1.865 1.865 peak 17756 weight  1.00000E+00 volume  2.04262E+05 ppm1     -0.557 ppm2      5.305

ASSI {55}   (( resid 7    and name  HA  ))   (( resid 24   and name  HA  )) 3.01 1.21 1.21 peak 17817 weight  1.00000E+00 volume  3.40337E+05 ppm1      5.006 ppm2      5.308

ASSI {56}   (( resid 25   and name  HB1 ))   (( resid 27   and name  HA  )) 3.216 1.516 3.206 peak 19135 weight  1.00000E+00 volume  1.82480E+05 ppm1      5.014 ppm2      3.243 !2

ASSI {57}   (( resid 25   and name  HA  ))   (( resid 47   and name  HE3 )) 2.87 1.17 4.5 peak 19370 weight  1.00000E+00 volume  4.92729E+05 ppm1      4.932 ppm2      7.157 !2

ASSI {58}   (( resid 26   and name  HA  ))   (( resid 84   and name  HE  )) 2.979 1.279 2.189 peak 15210 weight  1.00000E+00 volume  3.51170E+05 ppm1      4.897 ppm2      6.610 !1

ASSI {59}   (( resid 84   and name  HA  ))   (  resid 26   and name  HB# ) 2.885 1.085 1.085 peak 21692 weight  1.00000E+00 volume  4.94011E+05 ppm1      4.949 ppm2      2.874

ASSI {60}   (  resid 28   and name  HB# )   (( resid 53   and name  HA  )) 3.36 1.66 2.58 peak 10982 weight  1.00000E+00 volume  4.15846E+05 ppm1      1.382 ppm2      3.977 !1

ASSI {61}   (  resid 28   and name  HB# )   (( resid 31   and name  HN  )) 3.238 1.538 3.648 peak 10993 weight  1.00000E+00 volume  5.50477E+05 ppm1      1.381 ppm2      8.752 !1

ASSI {62}   (( resid 53   and name  HB2 ))   (( resid 28   and name  HA  )) 3.41 1.71 3.22 peak 18423 weight  1.00000E+00 volume  1.26146E+05 ppm1      3.663 ppm2      2.187 !2

ASSI {63}   (  resid 30   and name  HD# )   (( resid 33   and name  HA  )) 3.309 1.609 2.399 peak 17109 weight  1.00000E+00 volume  2.74217E+05 ppm1      4.428 ppm2      6.835 !1

ASSI {64}   (  resid 30   and name  HD# )   (( resid 31   and name  HA  )) 3.316 1.515 1.515 peak 19034 weight  1.00000E+00 volume  3.08067E+05 ppm1      4.870 ppm2      6.880

ASSI {65}   (( resid 30   and name  HN  ))   (( resid 31   and name  HA  )) 2.915 1.215 1.815 peak 19038 weight  1.00000E+00 volume  4.30876E+05 ppm1      4.869 ppm2      8.660 !1

ASSI {66}   (  resid 30   and name  HE# )   (( resid 31   and name  HA  )) 3.372 1.672 2.292 peak 22546 weight  1.00000E+00 volume  2.77930E+05 ppm1      4.872 ppm2      6.410 !1

ASSI {67}   (( resid 79   and name  HA  ))   (( resid 31   and name  HB1 )) 3.328 1.628 5.818 peak 13281 weight  1.00000E+00 volume  1.56239E+05 ppm1      3.082 ppm2      4.671 !2

ASSI {68}   (( resid 52   and name  HA  ))   (( resid 31   and name  HB2 )) 3.208 1.508 3.358 peak 13282 weight  1.00000E+00 volume  2.06763E+05 ppm1      3.568 ppm2      4.662 !2

ASSI {69}   (( resid 31   and name  HB1 ))   (( resid 32   and name  HA  )) 3.365 1.665 2.726 peak 18224 weight  1.00000E+00 volume  1.36020E+05 ppm1      3.658 ppm2      3.067 !1

ASSI {70}   (( resid 81   and name  HB1 ))   (( resid 31   and name  HA  )) 2.759 1.059 4.169 peak 19327 weight  1.00000E+00 volume  7.68667E+05 ppm1      3.320 ppm2      4.830 !4

ASSI {71}   (( resid 81   and name  HB2 ))   (( resid 31   and name  HA  )) 2.888 1.188 2.688 peak 19330 weight  1.00000E+00 volume  5.12166E+05 ppm1      2.984 ppm2      4.836 !2

ASSI {72}   (( resid 31   and name  HA  ))   (( resid 32   and name  HA  )) 3.244 1.444 1.444 peak 22396 weight  1.00000E+00 volume  1.66472E+05 ppm1      3.658 ppm2      4.826

ASSI {73}   (( resid 33   and name  HA  ))   (( resid 32   and name  HA  )) 3.361 1.561 1.561 peak 18227 weight  1.00000E+00 volume  1.38327E+05 ppm1      3.665 ppm2      4.459

ASSI {74}   (( resid 37   and name  HA  ))   (( resid 36   and name  HD2 )) 3.317 1.617 2.788 peak 12686 weight  1.00000E+00 volume  1.60381E+05 ppm1      3.127 ppm2      5.337 !2

ASSI {75}   (( resid 37   and name  HB2 ))   (( resid 39   and name  HA  )) 3.146 1.446 4.926 peak 12788 weight  1.00000E+00 volume  2.38363E+05 ppm1      5.013 ppm2      2.732 !3

ASSI {76}   (( resid 37   and name  HA  ))   (  resid 40   and name  HD1#) 3.973 2.273 3.013 peak 16320 weight  1.00000E+00 volume  1.06654E+05 ppm1      5.316 ppm2     -0.564 !1

ASSI {77}   (( resid 37   and name  HN  ))   (( resid 79   and name  HA  )) 3.193 1.393 1.393 peak 20998 weight  1.00000E+00 volume  2.21688E+05 ppm1      4.710 ppm2      9.804

ASSI {78}   (( resid 78   and name  HA  ))   (( resid 38   and name  HA  )) 2.99 1.29 2.26 peak 15601 weight  1.00000E+00 volume  3.46211E+05 ppm1      4.622 ppm2      5.272 !2

ASSI {79}   (( resid 67   and name  HA  ))   (( resid 39   and name  HA  )) 2.884 1.184 2.184 peak 12776 weight  1.00000E+00 volume  4.90109E+05 ppm1      5.009 ppm2      5.135 !1

ASSI {80}   (  resid 62   and name  HD2#)   (( resid 39   and name  HA  )) 3.869 2.169 2.829 peak 12805 weight  1.00000E+00 volume  1.30678E+05 ppm1      5.021 ppm2     -0.224 !1

ASSI {81}   (( resid 73   and name  HN  ))   (( resid 39   and name  HA  )) 3.171 1.471 4.362 peak 12810 weight  1.00000E+00 volume  2.07771E+05 ppm1      5.019 ppm2      7.249 !3

ASSI {82}   (( resid 41   and name  HA  ))   (( resid 40   and name  HB  )) 2.824 1.124 2.814 peak 11416 weight  1.00000E+00 volume  5.69804E+05 ppm1      4.999 ppm2      1.200 !2

ASSI {83}   (  resid 40   and name  HG2#)   (( resid 9    and name  HA  )) 3.949 2.149 2.149 peak 14086 weight  1.00000E+00 volume  1.09140E+05 ppm1      4.626 ppm2      0.226

ASSI {84}   (( resid 67   and name  HA  ))   (( resid 40   and name  HB  )) 3.357 1.657 2.127 peak 14626 weight  1.00000E+00 volume  1.37371E+05 ppm1      1.187 ppm2      5.135 !1

ASSI {85}   (( resid 40   and name  HB  ))   (( resid 73   and name  HN  )) 2.987 1.287 4.268 peak 14632 weight  1.00000E+00 volume  3.83088E+05 ppm1      1.180 ppm2      7.239 !4

ASSI {86}   (  resid 9    and name  HG2#)   (( resid 40   and name  HA  )) 3.708 2.008 2.588 peak 18173 weight  1.00000E+00 volume  1.70248E+05 ppm1      5.379 ppm2      0.569 !1

ASSI {87}   (( resid 40   and name  HA  ))   (  resid 8    and name  HD1#) 4.016 2.216 2.216 peak 18175 weight  1.00000E+00 volume  1.01598E+05 ppm1      5.382 ppm2     -0.097

ASSI {88}   (  resid 40   and name  HD1#)   (( resid 73   and name  HN  )) 3.226 1.526 3.215 peak 20944 weight  1.00000E+00 volume  5.79467E+05 ppm1     -0.589 ppm2      7.241 !2

ASSI {89}   (( resid 41   and name  HN  ))   (( resid 7    and name  HG1 )) 3.337 1.637 5.567 peak 11143 weight  1.00000E+00 volume  1.47304E+05 ppm1      1.184 ppm2      8.999 !3

ASSI {90}   (( resid 41   and name  HA  ))   (( resid 66   and name  HG2 )) 3.096 1.296 1.296 peak 11410 weight  1.00000E+00 volume  2.53941E+05 ppm1      4.997 ppm2      2.247

ASSI {91}   (( resid 41   and name  HA  ))   (( resid 44   and name  HN  )) 2.804 1.104 5.244 peak 11428 weight  1.00000E+00 volume  6.14195E+05 ppm1      4.995 ppm2      8.471 !2

ASSI {92}   (( resid 42   and name  HA  ))   (( resid 41   and name  HG2 )) 3.473 1.773 3.213 peak 11810 weight  1.00000E+00 volume  1.28117E+05 ppm1      4.230 ppm2      1.265 !1

ASSI {93}   (( resid 41   and name  HD2 ))   (( resid 66   and name  HA  )) 2.702 1.002 3.172 peak 13670 weight  1.00000E+00 volume  8.85075E+05 ppm1      1.453 ppm2      4.806 !2

ASSI {94}   (( resid 41   and name  HD1 ))   (( resid 66   and name  HA  )) 2.838 1.138 3.348 peak 13671 weight  1.00000E+00 volume  5.90876E+05 ppm1      1.340 ppm2      4.804 !3

ASSI {95}   (( resid 41   and name  HE1 ))   (( resid 66   and name  HA  )) 2.809 1.009 1.009 peak 14593 weight  1.00000E+00 volume  6.52330E+05 ppm1      1.946 ppm2      4.807

ASSI {96}   (( resid 41   and name  HE2 ))   (( resid 66   and name  HA  )) 2.68 0.98 1.74 peak 14596 weight  1.00000E+00 volume  9.45079E+05 ppm1      1.689 ppm2      4.792 !1

ASSI {97}   (( resid 41   and name  HA  ))   (( resid 68   and name  HD1 )) 3.178 1.478 3.707 peak 17096 weight  1.00000E+00 volume  2.12581E+05 ppm1      3.820 ppm2      4.961 !2

ASSI {98}   (( resid 46   and name  HA  ))   (  resid 42   and name  HG2#) 3.24 1.44 1.44 peak 11630 weight  1.00000E+00 volume  5.64738E+05 ppm1      1.083 ppm2      4.866

ASSI {99}   (( resid 42   and name  HN  ))   (( resid 65   and name  HA1 )) 3.203 1.503 2.173 peak 19655 weight  1.00000E+00 volume  2.00434E+05 ppm1      4.248 ppm2      9.301 !1

ASSI {100}   (( resid 43   and name  HA  ))   (( resid 65   and name  HA2 )) 2.867 1.167 4.837 peak 15813 weight  1.00000E+00 volume  5.10015E+05 ppm1      4.485 ppm2      3.883 !3

ASSI {101}   (( resid 43   and name  HA  ))   (( resid 9    and name  HB  )) 3.343 1.643 4.363 peak 15816 weight  1.00000E+00 volume  1.46731E+05 ppm1      4.501 ppm2      3.495 !3

ASSI {102}   (( resid 46   and name  HB  ))   (( resid 46   and name  HA  )) 2.659 0.859 0.859 peak 13543 weight  1.00000E+00 volume  1.07107E+06 ppm1      3.641 ppm2      4.869

ASSI {103}   (( resid 63   and name  HA  ))   (( resid 46   and name  HA  )) 2.53 0.7295 0.7295 peak 20462 weight  1.00000E+00 volume  1.67390E+06 ppm1      5.061 ppm2      4.867

ASSI {104}   (( resid 48   and name  HA  ))   (( resid 47   and name  HB1 )) 3.457 1.657 1.657 peak 12195 weight  1.00000E+00 volume  9.83931E+04 ppm1      2.933 ppm2      5.142

ASSI {105}   (( resid 85   and name  HA  ))   (( resid 47   and name  HB1 )) 3.058 1.358 2.058 peak 12753 weight  1.00000E+00 volume  2.94536E+05 ppm1      3.211 ppm2      2.952 !1

ASSI {106}   (( resid 85   and name  HA  ))   (( resid 47   and name  HB2 )) 3.333 1.633 2.973 peak 12755 weight  1.00000E+00 volume  1.41625E+05 ppm1      3.214 ppm2      2.690 !2

ASSI {107}   (( resid 84   and name  HA  ))   (( resid 48   and name  HN  )) 3.117 1.417 2.947 peak 14156 weight  1.00000E+00 volume  2.44772E+05 ppm1      4.951 ppm2      9.527 !2

ASSI {108}   (( resid 48   and name  HA  ))   (( resid 61   and name  HA  )) 2.779 1.079 1.609 peak 16092 weight  1.00000E+00 volume  6.82519E+05 ppm1      5.178 ppm2      5.007 !1

ASSI {109}   (( resid 61   and name  HB  ))   (( resid 48   and name  HA  )) 3.128 1.428 2.059 peak 19678 weight  1.00000E+00 volume  2.49356E+05 ppm1      2.058 ppm2      5.145 !1

ASSI {110}   (( resid 49   and name  HA  ))   (( resid 80   and name  HA  )) 3.212 1.512 3.182 peak 14559 weight  1.00000E+00 volume  2.02418E+05 ppm1      5.342 ppm2      5.014 !2

ASSI {111}   (( resid 49   and name  HA  ))   (( resid 51   and name  HA  )) 3.117 1.417 3.777 peak 16361 weight  1.00000E+00 volume  2.49805E+05 ppm1      4.750 ppm2      5.326 !2

ASSI {112}   (( resid 62   and name  HN  ))   (  resid 49   and name  HG2#) 3.723 1.923 1.923 peak 16834 weight  1.00000E+00 volume  1.82189E+05 ppm1      0.833 ppm2      9.666

ASSI {113}   (( resid 80   and name  HA  ))   (( resid 50   and name  HA  )) 3.078 1.378 3.108 peak 13433 weight  1.00000E+00 volume  3.03026E+05 ppm1      5.595 ppm2      5.006 !2

ASSI {114}   (( resid 83   and name  HA  ))   (( resid 50   and name  HB2 )) 3.0 1.3 2.15 peak 19712 weight  1.00000E+00 volume  3.38850E+05 ppm1      3.208 ppm2      6.465 !1

ASSI {115}   (( resid 80   and name  HB2 ))   (( resid 51   and name  HA  )) 3.461 1.761 2.611 peak 12866 weight  1.00000E+00 volume  1.05082E+05 ppm1      1.320 ppm2      4.749 !1

ASSI {116}   (( resid 51   and name  HB2 ))   (( resid 51   and name  HA  )) 3.015 1.315 2.345 peak 13855 weight  1.00000E+00 volume  3.36512E+05 ppm1      2.611 ppm2      4.768 !1

ASSI {117}   (( resid 51   and name  HB2 ))   (( resid 80   and name  HA  )) 3.168 1.468 2.518 peak 13858 weight  1.00000E+00 volume  2.27354E+05 ppm1      2.618 ppm2      5.012 !2

ASSI {118}   (  resid 80   and name  HD1#)   (( resid 51   and name  HN  )) 3.768 1.967 1.967 peak 14740 weight  1.00000E+00 volume  1.83388E+05 ppm1      1.176 ppm2      9.582

ASSI {119}   (  resid 80   and name  HD1#)   (( resid 51   and name  HA  )) 3.255 1.455 1.455 peak 16375 weight  1.00000E+00 volume  5.62703E+05 ppm1      4.738 ppm2      1.168

ASSI {120}   (  resid 58   and name  HB# )   (( resid 51   and name  HN  )) 3.795 1.995 1.995 peak 20486 weight  1.00000E+00 volume  4.38326E+04 ppm1      2.913 ppm2      9.578

ASSI {121}   (( resid 52   and name  HB1 ))   (( resid 53   and name  HA  )) 3.559 1.759 1.759 peak 14126 weight  1.00000E+00 volume  8.68432E+04 ppm1      1.232 ppm2      3.934

ASSI {122}   (( resid 57   and name  HA1 ))   (( resid 56   and name  HA  )) 3.051 1.351 1.781 peak 12412 weight  1.00000E+00 volume  3.02074E+05 ppm1      3.675 ppm2      4.897 !1

ASSI {123}   (( resid 57   and name  HA2 ))   (( resid 56   and name  HA  )) 3.006 1.306 1.786 peak 14168 weight  1.00000E+00 volume  3.51075E+05 ppm1      4.913 ppm2      4.274 !1

ASSI {124}   (  resid 58   and name  HB# )   (( resid 58   and name  HA  )) 2.707 0.907 0.907 peak 18431 weight  1.00000E+00 volume  8.66292E+05 ppm1      4.231 ppm2      2.894

ASSI {125}   (( resid 73   and name  HB1 ))   (( resid 60   and name  HA  )) 3.095 1.395 6.145 peak 16267 weight  1.00000E+00 volume  2.60952E+05 ppm1      4.626 ppm2      2.536 !2

ASSI {126}   (( resid 62   and name  HG  ))   (( resid 60   and name  HA  )) 3.338 1.638 3.308 peak 17945 weight  1.00000E+00 volume  1.55749E+05 ppm1      1.115 ppm2      4.660 !2

ASSI {127}   (( resid 60   and name  HB2 ))   (( resid 61   and name  HA  )) 3.183 1.483 2.663 peak 20817 weight  1.00000E+00 volume  2.07816E+05 ppm1      4.984 ppm2      3.248 !1

ASSI {128}   (  resid 61   and name  HD1#)   (( resid 61   and name  HA  )) 2.881 1.081 1.081 peak 14917 weight  1.00000E+00 volume  1.55528E+06 ppm1      0.665 ppm2      5.001

ASSI {129}   (  resid 61   and name  HD1#)   (( resid 61   and name  HN  )) 3.376 1.576 1.576 peak 14920 weight  1.00000E+00 volume  4.00550E+05 ppm1      0.662 ppm2      8.155

ASSI {130}   (( resid 62   and name  HN  ))   (  resid 61   and name  HD1#) 3.329 1.529 1.529 peak 14922 weight  1.00000E+00 volume  4.51076E+05 ppm1      0.663 ppm2      9.616

ASSI {131}   (  resid 61   and name  HG2#)   (( resid 61   and name  HA  )) 2.832 1.031 1.031 peak 16155 weight  1.00000E+00 volume  1.84978E+06 ppm1      0.675 ppm2      4.998

ASSI {132}   (  resid 61   and name  HG2#)   (( resid 63   and name  HA  )) 2.958 1.158 1.158 peak 16156 weight  1.00000E+00 volume  1.21845E+06 ppm1      0.676 ppm2      5.082

ASSI {133}   (  resid 62   and name  HD1#)   (( resid 67   and name  HA  )) 3.879 2.179 2.789 peak 14055 weight  1.00000E+00 volume  1.26382E+05 ppm1      5.161 ppm2      0.297 !1

ASSI {134}   (  resid 62   and name  HD2#)   (( resid 70   and name  HA  )) 4.05 2.35 2.969 peak 18063 weight  1.00000E+00 volume  9.33369E+04 ppm1      1.197 ppm2     -0.265 !1

ASSI {135}   (( resid 62   and name  HA  ))   (( resid 73   and name  HB1 )) 3.136 1.436 3.096 peak 18906 weight  1.00000E+00 volume  2.23610E+05 ppm1      5.052 ppm2      2.542 !1

ASSI {136}   (  resid 62   and name  HD1#)   (( resid 66   and name  HN  )) 4.009 2.309 4.019 peak 19849 weight  1.00000E+00 volume  9.51517E+04 ppm1      0.285 ppm2      8.299 !2

ASSI {137}   (( resid 63   and name  HA  ))   (( resid 63   and name  HD2 )) 2.918 1.218 1.918 peak 20464 weight  1.00000E+00 volume  4.38548E+05 ppm1      5.058 ppm2      4.175 !1

ASSI {138}   (  resid 67   and name  HD# )   (( resid 64   and name  HA  )) 3.675 1.975 2.894 peak 22837 weight  1.00000E+00 volume  1.31487E+05 ppm1      4.008 ppm2      7.012 !1

ASSI {139}   (( resid 66   and name  HA  ))   (( resid 67   and name  HB1 )) 3.161 1.461 3.501 peak 17058 weight  1.00000E+00 volume  2.13814E+05 ppm1      3.808 ppm2      4.807 !2

ASSI {140}   (( resid 66   and name  HA  ))   (( resid 68   and name  HD2 )) 3.075 1.375 3.326 peak 18879 weight  1.00000E+00 volume  2.91127E+05 ppm1      4.834 ppm2      3.949 !2

ASSI {141}   (( resid 67   and name  HA  ))   (( resid 68   and name  HA  )) 3.002 1.302 1.792 peak 19593 weight  1.00000E+00 volume  3.49692E+05 ppm1      3.679 ppm2      5.131 !1

ASSI {142}   (( resid 67   and name  HA  ))   (( resid 73   and name  HA  )) 2.835 1.135 4.704 peak 20183 weight  1.00000E+00 volume  5.75177E+05 ppm1      5.315 ppm2      5.149 !4

ASSI {143}   (( resid 67   and name  HB2 ))   (( resid 73   and name  HA  )) 2.654 0.954 4.964 peak 20189 weight  1.00000E+00 volume  9.81767E+05 ppm1      5.318 ppm2      3.260 !4

ASSI {144}   (  resid 67   and name  HD# )   (( resid 73   and name  HA  )) 2.945 1.245 1.845 peak 20207 weight  1.00000E+00 volume  7.90835E+05 ppm1      5.318 ppm2      7.029 !1

ASSI {145}   (( resid 69   and name  HG1 ))   (( resid 68   and name  HA  )) 3.373 1.573 1.573 peak 18145 weight  1.00000E+00 volume  1.27558E+05 ppm1      2.070 ppm2      3.650

ASSI {146}   (( resid 68   and name  HA  ))   (( resid 69   and name  HA  )) 3.393 1.593 1.593 peak 20130 weight  1.00000E+00 volume  1.27091E+05 ppm1      5.367 ppm2      3.666

ASSI {147}   (( resid 71   and name  HA  ))   (( resid 70   and name  HB1 )) 3.218 1.518 3.168 peak 15913 weight  1.00000E+00 volume  1.94967E+05 ppm1      3.817 ppm2      2.267 !2

ASSI {148}   (( resid 70   and name  HA  ))   (  resid 72   and name  HG# ) 3.056 1.356 3.516 peak 16912 weight  1.00000E+00 volume  2.73885E+05 ppm1      1.885 ppm2      1.218 !2

ASSI {149}   (( resid 70   and name  HA  ))   (  resid 72   and name  HD# ) 3.088 1.388 3.398 peak 17188 weight  1.00000E+00 volume  2.69788E+05 ppm1      3.419 ppm2      1.214 !1

ASSI {150}   (( resid 70   and name  HA  ))   (( resid 73   and name  HE1 )) 3.418 1.718 2.668 peak 18092 weight  1.00000E+00 volume  1.19641E+05 ppm1      1.180 ppm2      9.941 !1

ASSI {151}   (( resid 72   and name  HA  ))   (( resid 71   and name  HE21)) 2.739 1.039 4.529 peak 10876 weight  1.00000E+00 volume  7.73492E+05 ppm1      4.378 ppm2      7.203 !4

ASSI {152}   (( resid 74   and name  HA  ))   (( resid 71   and name  HG2 )) 3.196 1.496 4.636 peak 17848 weight  1.00000E+00 volume  1.96760E+05 ppm1      2.101 ppm2      4.026 !4

ASSI {153}   (( resid 71   and name  HB1 ))   (( resid 74   and name  HA  )) 2.958 1.258 3.418 peak 19227 weight  1.00000E+00 volume  3.91071E+05 ppm1      1.817 ppm2      4.036 !3

ASSI {154}   (( resid 71   and name  HB2 ))   (( resid 73   and name  HA  )) 3.099 1.399 5.12 peak 20198 weight  1.00000E+00 volume  2.50297E+05 ppm1      5.317 ppm2      1.707 !3

ASSI {155}   (  resid 72   and name  HD# )   (( resid 74   and name  HA  )) 2.908 1.208 5.038 peak 17193 weight  1.00000E+00 volume  4.65274E+05 ppm1      3.422 ppm2      3.983 !4

ASSI {156}   (( resid 74   and name  HA  ))   (( resid 73   and name  HA  )) 3.125 1.425 1.975 peak 20187 weight  1.00000E+00 volume  2.37761E+05 ppm1      5.320 ppm2      4.037 !1

ASSI {157}   (( resid 74   and name  HB2 ))   (( resid 73   and name  HA  )) 3.093 1.393 1.852 peak 20192 weight  1.00000E+00 volume  2.62576E+05 ppm1      5.313 ppm2      2.776 !1

ASSI {158}   (( resid 73   and name  HA  ))   (( resid 73   and name  HD1 )) 3.23 1.53 1.99 peak 20204 weight  1.00000E+00 volume  1.92164E+05 ppm1      5.317 ppm2      6.048 !1

ASSI {159}   (( resid 75   and name  HA1 ))   (( resid 74   and name  HA  )) 3.605 1.805 1.805 peak 13560 weight  1.00000E+00 volume  7.42063E+04 ppm1      2.864 ppm2      4.042

ASSI {160}   (( resid 77   and name  HA  ))   (( resid 76   and name  HB1 )) 3.461 1.761 2.901 peak 20334 weight  1.00000E+00 volume  1.03784E+05 ppm1      1.282 ppm2      3.627 !1

ASSI {161}   (( resid 76   and name  HA  ))   (  resid 76   and name  HD2#) 3.056 1.256 1.256 peak 20775 weight  1.00000E+00 volume  9.50577E+05 ppm1      4.312 ppm2      0.574

ASSI {162}   (( resid 79   and name  HB1 ))   (( resid 80   and name  HN  )) 2.916 1.216 1.676 peak 13082 weight  1.00000E+00 volume  4.47042E+05 ppm1      1.816 ppm2      7.163 !1

ASSI {163}   (  resid 79   and name  HG# )   (( resid 80   and name  HN  )) 2.732 1.032 1.583 peak 15403 weight  1.00000E+00 volume  7.93899E+05 ppm1      1.617 ppm2      7.164 !1

ASSI {164}   (( resid 79   and name  HB1 ))   (( resid 79   and name  HA  )) 2.546 0.7465 0.7465 peak 20994 weight  1.00000E+00 volume  1.53405E+06 ppm1      4.700 ppm2      1.840

ASSI {165}   (( resid 83   and name  HB1 ))   (( resid 83   and name  HN  )) 3.418 1.618 1.618 peak 10971 weight  1.00000E+00 volume  1.12705E+05 ppm1      3.607 ppm2      9.702

ASSI {166}   (  resid 84   and name  HG# )   (( resid 83   and name  HA  )) 2.863 1.063 1.063 peak 13017 weight  1.00000E+00 volume  5.19253E+05 ppm1      1.322 ppm2      6.451

ASSI {167}   (( resid 84   and name  HA  ))   (  resid 85   and name  HB# ) 3.352 1.552 1.552 peak 14163 weight  1.00000E+00 volume  4.19090E+05 ppm1      4.952 ppm2      0.142

ASSI {168}   (( resid 84   and name  HA  ))   (  resid 84   and name  HD# ) 2.721 1.021 1.801 peak 21693 weight  1.00000E+00 volume  7.90075E+05 ppm1      4.948 ppm2      2.354 !1

ASSI {169}   (  resid 85   and name  HB# )   (( resid 87   and name  HA  )) 3.821 2.021 2.021 peak 20812 weight  1.00000E+00 volume  1.35860E+05 ppm1      4.671 ppm2      0.113

ASSI {170}   (( resid 86   and name  HB  ))   (( resid 87   and name  HA  )) 3.08 1.38 2.2 peak 18563 weight  1.00000E+00 volume  2.71747E+05 ppm1      1.548 ppm2      4.641 !1

ASSI {171}   (  resid 87   and name  HB# )   (( resid 86   and name  HA  )) 2.775 1.075 2.005 peak 19568 weight  1.00000E+00 volume  7.28984E+05 ppm1      3.669 ppm2      3.054 !1

ASSI {172}   (  resid 87   and name  HB# )   (( resid 87   and name  HA  )) 2.327 0.527 0.527 peak 20807 weight  1.00000E+00 volume  3.69292E+06 ppm1      4.662 ppm2      3.054

ASSI {173}   (( resid 89   and name  HD2 ))   (( resid 90   and name  HA  )) 3.06 1.36 3.2 peak 20052 weight  1.00000E+00 volume  2.94700E+05 ppm1      3.676 ppm2      4.343 !2

ASSI {174}   (( resid 89   and name  HD1 ))   (( resid 90   and name  HA  )) 3.096 1.396 4.456 peak 20053 weight  1.00000E+00 volume  2.86550E+05 ppm1      3.615 ppm2      4.341 !3

ASSI {175}   (( resid 89   and name  HA  ))   (( resid 90   and name  HA  )) 2.399 0.699 2.009 peak 20247 weight  1.00000E+00 volume  2.66779E+06 ppm1      4.522 ppm2      4.391 !1

ASSI {176}   (( resid 89   and name  HB2 ))   (( resid 92   and name  HN  )) 3.183 1.483 2.552 peak 21832 weight  1.00000E+00 volume  2.07789E+05 ppm1      2.265 ppm2      8.034 !2

ASSI {177}   (( resid 91   and name  HA2 ))   (( resid 90   and name  HA  )) 2.67 0.97 1.97 peak 20118 weight  1.00000E+00 volume  1.03547E+06 ppm1      4.160 ppm2      4.344 !1

ASSI {178}   (( resid 91   and name  HA1 ))   (( resid 90   and name  HA  )) 2.693 0.993 2.803 peak 20119 weight  1.00000E+00 volume  1.01848E+06 ppm1      3.878 ppm2      4.354 !2

ASSI {179}   (( resid 92   and name  HN  ))   (( resid 90   and name  HA  )) 3.023 1.323 2.173 peak 21064 weight  1.00000E+00 volume  3.25876E+05 ppm1      4.374 ppm2      8.047 !1

ASSI {180}   (( resid 91   and name  HA1 ))   (( resid 92   and name  HN  )) 2.622 0.8215 0.8215 peak 20122 weight  1.00000E+00 volume  1.14306E+06 ppm1      3.888 ppm2      8.056

ASSI {181}   (( resid 91   and name  HA2 ))   (( resid 92   and name  HN  )) 2.932 1.132 1.132 peak 20123 weight  1.00000E+00 volume  4.15516E+05 ppm1      4.162 ppm2      8.061

ASSI {182}   (( resid 92   and name  HA2 ))   (( resid 92   and name  HN  )) 2.623 0.8225 0.8225 peak 16201 weight  1.00000E+00 volume  1.12298E+06 ppm1      3.941 ppm2      8.040

ASSI {183}   (( resid 92   and name  HA1 ))   (( resid 92   and name  HN  )) 2.624 0.8245 0.8245 peak 22056 weight  1.00000E+00 volume  1.11366E+06 ppm1      3.888 ppm2      8.036

ASSI {184}   (( resid 93   and name  HA  ))   (( resid 93   and name  HG2 )) 2.484 0.784 1.714 peak 15041 weight  1.00000E+00 volume  1.93046E+06 ppm1      4.480 ppm2      2.211 !1

ASSI {185}   (( resid 95   and name  HA  ))   (  resid 93   and name  HG# ) 3.099 1.399 2.949 peak 17997 weight  1.00000E+00 volume  2.62836E+05 ppm1      5.010 ppm2      2.262 !1

ASSI {186}   (( resid 95   and name  HA  ))   (( resid 93   and name  HE21)) 3.16 1.46 2.04 peak 18010 weight  1.00000E+00 volume  2.16365E+05 ppm1      5.005 ppm2      7.545 !1

ASSI {187}   (( resid 93   and name  HN  ))   (( resid 94   and name  HA  )) 3.434 1.734 2.225 peak 22766 weight  1.00000E+00 volume  1.30859E+05 ppm1      4.505 ppm2      7.800 !1

ASSI {188}   (  resid 94   and name  HE# )   (( resid 94   and name  HA  )) 3.326 1.526 1.526 peak 20457 weight  1.00000E+00 volume  2.86671E+05 ppm1      4.501 ppm2      6.848

ASSI {189}   (( resid 95   and name  HE2 ))   (( resid 96   and name  HA  )) 3.151 1.451 3.991 peak 13721 weight  1.00000E+00 volume  2.20462E+05 ppm1      4.497 ppm2      2.893 !3

ASSI {190}   (( resid 96   and name  HG12))   (( resid 96   and name  HA  )) 3.437 1.737 2.647 peak 11451 weight  1.00000E+00 volume  1.17103E+05 ppm1      0.919 ppm2      4.486 !1

ASSI {191}   (( resid 97   and name  HB1 ))   (( resid 98   and name  HA  )) 3.014 1.314 1.745 peak 12909 weight  1.00000E+00 volume  3.27385E+05 ppm1      1.510 ppm2      4.787 !1

ASSI {192}   (( resid 97   and name  HA  ))   (  resid 98   and name  HD1#) 3.956 2.156 2.156 peak 18115 weight  1.00000E+00 volume  1.18186E+05 ppm1      0.304 ppm2      5.130

ASSI {193}   (  resid 98   and name  HG2#)   (( resid 97   and name  HA  )) 3.378 1.678 2.208 peak 20552 weight  1.00000E+00 volume  4.20568E+05 ppm1      0.415 ppm2      5.127 !1

ASSI {194}   (( resid 98   and name  HG11))   (( resid 97   and name  HA  )) 3.2 1.4 1.4 peak 21670 weight  1.00000E+00 volume  1.98839E+05 ppm1      0.714 ppm2      5.155

ASSI {195}   (( resid 98   and name  HG11))   (( resid 98   and name  HA  )) 3.239 1.439 1.439 peak 14006 weight  1.00000E+00 volume  1.66801E+05 ppm1      0.717 ppm2      4.789

ASSI {196}   (( resid 98   and name  HB  ))   (( resid 98   and name  HA  )) 2.648 0.848 0.848 peak 21144 weight  1.00000E+00 volume  1.04608E+06 ppm1      1.694 ppm2      4.783

ASSI {197}   (( resid 99   and name  HA  ))   (  resid 99   and name  HB# ) 2.583 0.7825 0.7825 peak 20387 weight  1.00000E+00 volume  1.35725E+06 ppm1      5.496 ppm2      3.402

ASSI {198}   (( resid 100  and name  HA  ))   (  resid 99   and name  HB# ) 3.296 1.496 1.496 peak 11783 weight  1.00000E+00 volume  1.40209E+05 ppm1      4.362 ppm2      3.404

ASSI {199}   (( resid 100  and name  HA  ))   (( resid 107  and name  HG2 )) 2.804 1.104 1.815 peak 11788 weight  1.00000E+00 volume  6.22696E+05 ppm1      4.351 ppm2      1.833 !1
OR {199}   (( resid 100  and name  HA  ))   (( resid 107  and name  HB1 ))

ASSI {200}   (( resid 100  and name  HA  ))   (( resid 128  and name  HB2 )) 3.134 1.434 2.024 peak 13388 weight  1.00000E+00 volume  2.54902E+05 ppm1      3.151 ppm2      4.332 !1

ASSI {201}   (( resid 100  and name  HA  ))   (( resid 100  and name  HG2 )) 2.654 0.854 0.854 peak 14855 weight  1.00000E+00 volume  1.03138E+06 ppm1      2.344 ppm2      4.336

ASSI {202}   (( resid 124  and name  HA  ))   (( resid 100  and name  HB1 )) 3.181 1.481 3.481 peak 17405 weight  1.00000E+00 volume  1.97815E+05 ppm1      2.310 ppm2      4.831 !2

ASSI {203}   (( resid 124  and name  HA  ))   (( resid 100  and name  HB2 )) 2.929 1.229 2.179 peak 17406 weight  1.00000E+00 volume  3.90700E+05 ppm1      2.451 ppm2      4.839 !1

ASSI {204}   (( resid 99   and name  HA  ))   (( resid 100  and name  HB1 )) 3.072 1.372 1.822 peak 17408 weight  1.00000E+00 volume  2.91417E+05 ppm1      2.311 ppm2      5.467 !1

ASSI {205}   (( resid 104  and name  HA  ))   (( resid 100  and name  HB1 )) 3.371 1.671 5.291 peak 20613 weight  1.00000E+00 volume  1.33073E+05 ppm1      2.575 ppm2      2.287 !3

ASSI {206}   (( resid 101  and name  HA  ))   (( resid 126  and name  HB2 )) 2.84 1.14 3.9 peak 15798 weight  1.00000E+00 volume  5.35135E+05 ppm1      4.495 ppm2      2.142 !3

ASSI {207}   (( resid 101  and name  HG1 ))   (( resid 99   and name  HA  )) 3.09 1.39 3.02 peak 20396 weight  1.00000E+00 volume  2.60238E+05 ppm1      5.491 ppm2      1.207 !2

ASSI {208}   (( resid 102  and name  HA2 ))   (( resid 128  and name  HA  )) 3.11 1.31 1.31 peak 14989 weight  1.00000E+00 volume  2.50175E+05 ppm1      3.780 ppm2      4.707

ASSI {209}   (( resid 102  and name  HA1 ))   (( resid 128  and name  HA  )) 3.03 1.33 1.841 peak 14990 weight  1.00000E+00 volume  2.87361E+05 ppm1      3.847 ppm2      4.709 !1

ASSI {210}   (( resid 102  and name  HA1 ))   (( resid 99   and name  HN  )) 2.618 0.918 5.338 peak 14999 weight  1.00000E+00 volume  1.12797E+06 ppm1      3.843 ppm2      8.055 !2

ASSI {211}   (( resid 103  and name  HA  ))   (( resid 105  and name  HB2 )) 2.977 1.277 3.617 peak 13239 weight  1.00000E+00 volume  3.76309E+05 ppm1      3.748 ppm2      3.110 !3

ASSI {212}   (( resid 129  and name  HA  ))   (( resid 104  and name  HB2 )) 3.245 1.545 5.016 peak 13194 weight  1.00000E+00 volume  1.79902E+05 ppm1      2.069 ppm2      4.654 !3

ASSI {213}   (( resid 104  and name  HB2 ))   (( resid 104  and name  HN  )) 3.184 1.384 1.384 peak 13209 weight  1.00000E+00 volume  2.01819E+05 ppm1      2.073 ppm2      7.935

ASSI {214}   (  resid 104  and name  HE# )   (( resid 157  and name  HA  )) 3.358 1.658 2.058 peak 14695 weight  1.00000E+00 volume  2.61050E+05 ppm1      4.641 ppm2      7.192 !1

ASSI {215}   (  resid 104  and name  HE# )   (( resid 158  and name  HA  )) 3.248 1.548 2.229 peak 19697 weight  1.00000E+00 volume  3.67431E+05 ppm1      3.378 ppm2      7.208 !1

ASSI {216}   (( resid 104  and name  HB1 ))   (( resid 104  and name  HA  )) 2.776 0.9755 0.9755 peak 20599 weight  1.00000E+00 volume  7.04354E+05 ppm1      2.574 ppm2      2.947

ASSI {217}   (( resid 104  and name  HB2 ))   (( resid 104  and name  HA  )) 2.771 0.971 0.971 peak 20614 weight  1.00000E+00 volume  6.99850E+05 ppm1      2.571 ppm2      2.064

ASSI {218}   (  resid 104  and name  HD# )   (( resid 104  and name  HA  )) 2.829 1.029 1.029 peak 22825 weight  1.00000E+00 volume  1.19215E+06 ppm1      2.568 ppm2      6.583

ASSI {219}   (( resid 104  and name  HA  ))   (( resid 104  and name  HZ  )) 3.202 1.502 2.861 peak 22826 weight  1.00000E+00 volume  1.99449E+05 ppm1      2.571 ppm2      6.852 !1

ASSI {220}   (( resid 104  and name  HA  ))   (  resid 104  and name  HE# ) 3.192 1.392 1.392 peak 22827 weight  1.00000E+00 volume  4.23087E+05 ppm1      2.570 ppm2      7.197

ASSI {221}   (( resid 107  and name  HA  ))   (( resid 124  and name  HG2 )) 3.296 1.596 4.156 peak 14704 weight  1.00000E+00 volume  1.58496E+05 ppm1      3.872 ppm2      2.536 !2

ASSI {222}   (( resid 108  and name  HG2 ))   (( resid 107  and name  HA  )) 2.998 1.298 4.558 peak 14711 weight  1.00000E+00 volume  3.53028E+05 ppm1      3.871 ppm2      1.373 !3

ASSI {223}   (( resid 107  and name  HA  ))   (( resid 107  and name  HN  )) 2.979 1.179 1.179 peak 14721 weight  1.00000E+00 volume  3.62923E+05 ppm1      3.867 ppm2      8.737

ASSI {224}   (( resid 99   and name  HA  ))   (( resid 107  and name  HG1 )) 3.319 1.619 2.338 peak 17572 weight  1.00000E+00 volume  1.58263E+05 ppm1      2.362 ppm2      5.469 !1

ASSI {225}   (  resid 108  and name  HE# )   (( resid 97   and name  HA  )) 3.39 1.69 2.4 peak 12140 weight  1.00000E+00 volume  3.76193E+05 ppm1      5.152 ppm2      1.813 !1

ASSI {226}   (( resid 109  and name  HA  ))   (( resid 108  and name  HA  )) 2.783 1.083 1.773 peak 15139 weight  1.00000E+00 volume  6.37546E+05 ppm1      4.592 ppm2      4.928 !1

ASSI {227}   (  resid 108  and name  HE# )   (( resid 108  and name  HN  )) 3.28 1.48 1.48 peak 15891 weight  1.00000E+00 volume  5.22346E+05 ppm1      1.785 ppm2      7.717

ASSI {228}   (( resid 108  and name  HG1 ))   (( resid 98   and name  HA  )) 3.096 1.396 2.896 peak 16074 weight  1.00000E+00 volume  2.68102E+05 ppm1      1.457 ppm2      4.769 !2

ASSI {229}   (( resid 108  and name  HG2 ))   (( resid 98   and name  HA  )) 3.343 1.643 3.553 peak 16075 weight  1.00000E+00 volume  1.40751E+05 ppm1      1.408 ppm2      4.770 !3

ASSI {230}   (( resid 109  and name  HA  ))   (( resid 111  and name  HB  )) 2.669 0.969 3.149 peak 14939 weight  1.00000E+00 volume  9.43025E+05 ppm1      4.589 ppm2      4.417 !1

ASSI {231}   (( resid 109  and name  HA  ))   (  resid 98   and name  HD1#) 3.68 1.88 1.88 peak 14961 weight  1.00000E+00 volume  1.92037E+05 ppm1      4.592 ppm2      0.271

ASSI {232}   (( resid 109  and name  HA  ))   (( resid 110  and name  HA  )) 3.147 1.347 1.347 peak 14964 weight  1.00000E+00 volume  2.31282E+05 ppm1      4.597 ppm2      5.439

ASSI {233}   (( resid 109  and name  HA  ))   (( resid 97   and name  HG1 )) 3.012 1.312 3.752 peak 15151 weight  1.00000E+00 volume  3.27868E+05 ppm1      4.587 ppm2      2.232 !2

ASSI {234}   (( resid 111  and name  HA  ))   (( resid 109  and name  HB1 )) 2.979 1.279 4.839 peak 20015 weight  1.00000E+00 volume  3.43715E+05 ppm1      2.604 ppm2      5.255 !3

ASSI {235}   (( resid 111  and name  HA  ))   (( resid 110  and name  HA  )) 3.032 1.332 1.642 peak 16278 weight  1.00000E+00 volume  3.13354E+05 ppm1      5.234 ppm2      5.423 !1

ASSI {236}   (( resid 95   and name  HD1 ))   (( resid 111  and name  HA  )) 3.213 1.513 1.943 peak 16287 weight  1.00000E+00 volume  1.96515E+05 ppm1      5.239 ppm2      1.661 !1

ASSI {237}   (  resid 111  and name  HG2#)   (( resid 113  and name  HN  )) 3.22 1.42 1.42 peak 21023 weight  1.00000E+00 volume  6.13003E+05 ppm1      1.468 ppm2      8.422

ASSI {238}   (( resid 95   and name  HD1 ))   (( resid 112  and name  HA  )) 2.977 1.177 1.177 peak 12248 weight  1.00000E+00 volume  4.09347E+05 ppm1      5.182 ppm2      1.663

ASSI {239}   (( resid 112  and name  HA  ))   (  resid 95   and name  HG# ) 2.835 1.135 2.674 peak 12250 weight  1.00000E+00 volume  6.06661E+05 ppm1      5.184 ppm2      1.296 !2

ASSI {240}   (  resid 175  and name  HD# )   (( resid 113  and name  HA  )) 3.151 1.351 1.351 peak 12005 weight  1.00000E+00 volume  2.29567E+05 ppm1      2.807 ppm2      4.713

ASSI {241}   (( resid 114  and name  HB2 ))   (( resid 113  and name  HA  )) 2.885 1.185 4.025 peak 17128 weight  1.00000E+00 volume  5.08451E+05 ppm1      4.737 ppm2      2.514 !3

ASSI {242}   (  resid 94   and name  HE# )   (( resid 113  and name  HA  )) 3.487 1.687 1.687 peak 17131 weight  1.00000E+00 volume  2.04223E+05 ppm1      4.734 ppm2      6.855

ASSI {243}   (( resid 113  and name  HA  ))   (( resid 113  and name  HN  )) 2.761 0.961 0.961 peak 17134 weight  1.00000E+00 volume  7.63379E+05 ppm1      4.739 ppm2      8.419

ASSI {244}   (( resid 174  and name  HD1 ))   (( resid 114  and name  HA  )) 3.178 1.478 4.758 peak 16746 weight  1.00000E+00 volume  2.18826E+05 ppm1      2.166 ppm2      4.802 !3

ASSI {245}   (( resid 173  and name  HN  ))   (( resid 114  and name  HB1 )) 2.868 1.168 3.848 peak 21261 weight  1.00000E+00 volume  5.15208E+05 ppm1      3.315 ppm2      8.921 !2

ASSI {246}   (( resid 115  and name  HN  ))   (( resid 115  and name  HA  )) 2.931 1.231 2.011 peak 14287 weight  1.00000E+00 volume  4.19222E+05 ppm1      4.946 ppm2      8.994 !1

ASSI {247}   (( resid 116  and name  HD2 ))   (( resid 115  and name  HA  )) 2.542 0.7415 0.7415 peak 15303 weight  1.00000E+00 volume  1.57194E+06 ppm1      4.934 ppm2      3.463

ASSI {248}   (( resid 116  and name  HG2 ))   (( resid 115  and name  HA  )) 2.627 0.927 2.048 peak 15308 weight  1.00000E+00 volume  1.10573E+06 ppm1      4.943 ppm2      2.027 !2

ASSI {249}   (  resid 118  and name  HD1#)   (( resid 115  and name  HA  )) 3.405 1.705 3.515 peak 15315 weight  1.00000E+00 volume  3.54054E+05 ppm1      4.938 ppm2      0.669 !2

ASSI {250}   (  resid 122  and name  HD# )   (( resid 115  and name  HA  )) 3.333 1.633 3.583 peak 15316 weight  1.00000E+00 volume  2.82898E+05 ppm1      4.934 ppm2      6.589 !3

ASSI {251}   (( resid 174  and name  HB1 ))   (( resid 115  and name  HA  )) 2.982 1.282 3.842 peak 15581 weight  1.00000E+00 volume  3.58404E+05 ppm1      1.733 ppm2      4.904 !2

ASSI {252}   (( resid 172  and name  HA  ))   (( resid 115  and name  HB1 )) 3.592 1.792 1.792 peak 19476 weight  1.00000E+00 volume  7.54967E+04 ppm1      2.352 ppm2      4.586

ASSI {253}   (( resid 116  and name  HA  ))   (( resid 140  and name  HB1 )) 3.319 1.619 3.929 peak 14520 weight  1.00000E+00 volume  1.41162E+05 ppm1      3.317 ppm2      3.925 !3

ASSI {254}   (( resid 116  and name  HD2 ))   (( resid 144  and name  HA  )) 3.136 1.436 3.236 peak 15350 weight  1.00000E+00 volume  2.49224E+05 ppm1      3.470 ppm2      3.181 !2

ASSI {255}   (( resid 116  and name  HA  ))   (( resid 145  and name  HB1 )) 3.095 1.395 2.855 peak 18628 weight  1.00000E+00 volume  2.77522E+05 ppm1      3.940 ppm2      2.943 !2

ASSI {256}   (( resid 144  and name  HB1 ))   (( resid 116  and name  HA  )) 2.869 1.169 2.459 peak 18629 weight  1.00000E+00 volume  5.17755E+05 ppm1      3.945 ppm2      2.738 !2

ASSI {257}   (( resid 116  and name  HA  ))   (( resid 174  and name  HG2 )) 3.252 1.552 2.522 peak 18635 weight  1.00000E+00 volume  1.75337E+05 ppm1      3.947 ppm2      1.319 !1

ASSI {258}   (( resid 172  and name  HA  ))   (( resid 116  and name  HA  )) 2.197 0.497 3.597 peak 18638 weight  1.00000E+00 volume  6.61821E+06 ppm1      3.948 ppm2      4.526 !3

ASSI {259}   (( resid 116  and name  HA  ))   (( resid 144  and name  HD22)) 3.013 1.313 4.582 peak 18645 weight  1.00000E+00 volume  3.35450E+05 ppm1      3.947 ppm2      6.803 !3

ASSI {260}   (( resid 116  and name  HA  ))   (  resid 116  and name  HB# ) 2.612 0.912 1.482 peak 21498 weight  1.00000E+00 volume  1.15937E+06 ppm1      1.930 ppm2      3.920 !1

ASSI {261}   (( resid 143  and name  HA  ))   (( resid 117  and name  HB2 )) 3.045 1.345 3.725 peak 16421 weight  1.00000E+00 volume  3.01354E+05 ppm1      4.150 ppm2      3.546 !3

ASSI {262}   (( resid 117  and name  HB2 ))   (( resid 144  and name  HA  )) 3.383 1.683 3.363 peak 16845 weight  1.00000E+00 volume  1.46412E+05 ppm1      3.523 ppm2      3.178 !2

ASSI {263}   (( resid 172  and name  HA  ))   (  resid 118  and name  HD1#) 3.289 1.489 1.489 peak 10787 weight  1.00000E+00 volume  4.70198E+05 ppm1      4.563 ppm2      0.669

ASSI {264}   (( resid 118  and name  HB  ))   (( resid 172  and name  HN  )) 3.348 1.547 1.547 peak 14467 weight  1.00000E+00 volume  1.37047E+05 ppm1      1.791 ppm2      8.391

ASSI {265}   (  resid 118  and name  HD1#)   (( resid 127  and name  HA  )) 3.611 1.811 1.811 peak 16541 weight  1.00000E+00 volume  2.37241E+05 ppm1      4.422 ppm2      0.672

ASSI {266}   (( resid 119  and name  HA  ))   (  resid 118  and name  HG2#) 3.497 1.697 1.697 peak 16595 weight  1.00000E+00 volume  3.02004E+05 ppm1      4.262 ppm2      1.008

ASSI {267}   (  resid 118  and name  HD1#)   (( resid 171  and name  HN  )) 3.588 1.788 1.788 peak 17922 weight  1.00000E+00 volume  2.41231E+05 ppm1      0.636 ppm2      8.509

ASSI {268}   (  resid 118  and name  HD1#)   (( resid 126  and name  HA  )) 3.504 1.804 2.384 peak 18464 weight  1.00000E+00 volume  2.76816E+05 ppm1      4.919 ppm2      0.674 !1

ASSI {269}   (( resid 118  and name  HA  ))   (( resid 119  and name  HA  )) 2.895 1.195 1.935 peak 21098 weight  1.00000E+00 volume  4.61054E+05 ppm1      3.958 ppm2      4.291 !1

ASSI {270}   (( resid 118  and name  HA  ))   (( resid 120  and name  HN  )) 3.465 1.665 1.665 peak 21118 weight  1.00000E+00 volume  1.02697E+05 ppm1      3.982 ppm2      7.643

ASSI {271}   (( resid 120  and name  HA  ))   (( resid 119  and name  HG2 )) 3.263 1.463 1.463 peak 13674 weight  1.00000E+00 volume  1.75301E+05 ppm1      3.876 ppm2      2.628

ASSI {272}   (( resid 125  and name  HN  ))   (  resid 119  and name  HE# ) 3.322 1.622 2.072 peak 14272 weight  1.00000E+00 volume  5.30862E+05 ppm1      1.947 ppm2      8.904 !1

ASSI {273}   (( resid 125  and name  HA  ))   (( resid 119  and name  HB2 )) 2.612 0.812 0.812 peak 16126 weight  1.00000E+00 volume  1.15405E+06 ppm1      1.916 ppm2      4.412

ASSI {274}   (( resid 119  and name  HB2 ))   (( resid 171  and name  HN  )) 2.746 1.046 6.186 peak 16133 weight  1.00000E+00 volume  7.34094E+05 ppm1      1.906 ppm2      8.504 !3

ASSI {275}   (( resid 121  and name  HB2 ))   (( resid 122  and name  HA  )) 3.151 1.451 2.451 peak 16970 weight  1.00000E+00 volume  2.23735E+05 ppm1      4.371 ppm2      0.908 !1

ASSI {276}   (( resid 121  and name  HG1 ))   (( resid 123  and name  HA  )) 3.154 1.454 3.324 peak 21562 weight  1.00000E+00 volume  2.10001E+05 ppm1      1.532 ppm2      4.850 !1

ASSI {277}   (  resid 124  and name  HG# )   (( resid 123  and name  HA  )) 3.064 1.364 1.964 peak 18744 weight  1.00000E+00 volume  2.79538E+05 ppm1      4.827 ppm2      2.568 !1

ASSI {278}   (( resid 127  and name  HA  ))   (( resid 124  and name  HG2 )) 3.242 1.542 3.472 peak 16531 weight  1.00000E+00 volume  1.77267E+05 ppm1      4.417 ppm2      2.531 !2

ASSI {279}   (( resid 125  and name  HB2 ))   (( resid 169  and name  HA  )) 2.958 1.258 2.818 peak 11250 weight  1.00000E+00 volume  3.95934E+05 ppm1      4.484 ppm2      1.946 !2

ASSI {280}   (( resid 125  and name  HN  ))   (  resid 126  and name  HG# ) 3.17 1.47 2.25 peak 14351 weight  1.00000E+00 volume  2.96792E+05 ppm1      2.222 ppm2      8.877 !1

ASSI {281}   (( resid 168  and name  HD1 ))   (( resid 126  and name  HA  )) 2.985 1.285 4.455 peak 18453 weight  1.00000E+00 volume  3.24098E+05 ppm1      4.918 ppm2      3.627 !3

ASSI {282}   (( resid 126  and name  HA  ))   (( resid 126  and name  HB1 )) 2.643 0.843 0.843 peak 18455 weight  1.00000E+00 volume  1.06056E+06 ppm1      4.918 ppm2      1.968

ASSI {283}   (( resid 127  and name  HG11))   (( resid 99   and name  HA  )) 3.019 1.319 5.069 peak 20397 weight  1.00000E+00 volume  3.30590E+05 ppm1      5.491 ppm2      0.868 !3

ASSI {284}   (( resid 128  and name  HB2 ))   (( resid 129  and name  HN  )) 3.034 1.234 1.234 peak 13399 weight  1.00000E+00 volume  3.20045E+05 ppm1      3.156 ppm2      8.022

ASSI {285}   (( resid 128  and name  HA  ))   (( resid 160  and name  HG1 )) 2.796 1.096 1.546 peak 13423 weight  1.00000E+00 volume  6.41014E+05 ppm1      1.490 ppm2      4.757 !1

ASSI {286}   (( resid 128  and name  HA  ))   (( resid 168  and name  HB1 )) 3.017 1.317 1.837 peak 18498 weight  1.00000E+00 volume  3.28915E+05 ppm1      1.226 ppm2      4.758 !1

ASSI {287}   (( resid 129  and name  HA  ))   (( resid 131  and name  HA  )) 2.951 1.251 4.241 peak 18523 weight  1.00000E+00 volume  3.98084E+05 ppm1      4.635 ppm2      5.219 !2

ASSI {288}   (( resid 129  and name  HA  ))   (( resid 163  and name  HE3 )) 3.2 1.5 1.96 peak 18526 weight  1.00000E+00 volume  1.99958E+05 ppm1      4.630 ppm2      7.075 !1

ASSI {289}   (( resid 130  and name  HB1 ))   (( resid 129  and name  HN  )) 3.328 1.628 2.078 peak 19919 weight  1.00000E+00 volume  1.40922E+05 ppm1      2.808 ppm2      8.036 !1

ASSI {290}   (( resid 130  and name  HB2 ))   (( resid 98   and name  HA  )) 2.793 0.9935 0.9935 peak 13490 weight  1.00000E+00 volume  6.71328E+05 ppm1      3.045 ppm2      4.773

ASSI {291}   (( resid 130  and name  HA  ))   (( resid 97   and name  HG2 )) 3.389 1.689 3.61 peak 13815 weight  1.00000E+00 volume  1.22687E+05 ppm1      5.817 ppm2      2.131 !2

ASSI {292}   (  resid 98   and name  HG2#)   (( resid 130  and name  HA  )) 3.285 1.486 1.486 peak 20555 weight  1.00000E+00 volume  5.45018E+05 ppm1      0.412 ppm2      5.788

ASSI {293}   (  resid 131  and name  HG# )   (( resid 98   and name  HA  )) 3.252 1.552 2.492 peak 19026 weight  1.00000E+00 volume  1.67851E+05 ppm1      1.538 ppm2      4.784 !1

ASSI {294}   (( resid 98   and name  HA  ))   (( resid 131  and name  HA  )) 2.803 1.103 4.812 peak 19523 weight  1.00000E+00 volume  6.55871E+05 ppm1      4.746 ppm2      5.214 !3

ASSI {295}   (( resid 131  and name  HA  ))   (( resid 158  and name  HA  )) 3.354 1.654 4.284 peak 19694 weight  1.00000E+00 volume  1.32159E+05 ppm1      3.381 ppm2      5.218 !3

ASSI {296}   (  resid 98   and name  HG2#)   (( resid 131  and name  HA  )) 3.555 1.855 4.445 peak 20553 weight  1.00000E+00 volume  2.64151E+05 ppm1      0.410 ppm2      5.225 !3

ASSI {297}   (( resid 132  and name  HA  ))   (( resid 97   and name  HG1 )) 3.275 1.575 2.895 peak 16427 weight  1.00000E+00 volume  1.68925E+05 ppm1      4.160 ppm2      2.220 !1

ASSI {298}   (( resid 133  and name  HB1 ))   (( resid 134  and name  HA  )) 2.523 0.823 3.273 peak 16270 weight  1.00000E+00 volume  1.64508E+06 ppm1      4.622 ppm2      1.691 !3

ASSI {299}   (( resid 134  and name  HB1 ))   (( resid 136  and name  HA  )) 3.072 1.372 3.462 peak 13049 weight  1.00000E+00 volume  2.75322E+05 ppm1      1.886 ppm2      4.797 !2

ASSI {300}   (( resid 134  and name  HA  ))   (  resid 136  and name  HG2#) 3.087 1.387 4.397 peak 16273 weight  1.00000E+00 volume  8.13694E+05 ppm1      4.618 ppm2      0.877 !2

ASSI {301}   (( resid 137  and name  HZ3 ))   (( resid 134  and name  HA  )) 3.144 1.444 2.185 peak 16275 weight  1.00000E+00 volume  2.15288E+05 ppm1      4.621 ppm2      7.289 !1
OR {301}   (( resid 137  and name  HE3 ))   (( resid 134  and name  HA  ))

ASSI {302}   (( resid 135  and name  HA1 ))   (( resid 137  and name  HA  )) 3.302 1.602 4.072 peak 20872 weight  1.00000E+00 volume  1.52206E+05 ppm1      5.330 ppm2      3.222 !1

ASSI {303}   (( resid 176  and name  HB  ))   (( resid 135  and name  HN  )) 2.942 1.242 6.272 peak 22844 weight  1.00000E+00 volume  4.25535E+05 ppm1      1.644 ppm2      8.999 !3

ASSI {304}   (( resid 137  and name  HB1 ))   (( resid 136  and name  HA  )) 3.268 1.568 2.408 peak 12302 weight  1.00000E+00 volume  1.63131E+05 ppm1      3.069 ppm2      4.799 !1

ASSI {305}   (( resid 136  and name  HB  ))   (( resid 136  and name  HA  )) 2.848 1.048 1.048 peak 16983 weight  1.00000E+00 volume  5.33841E+05 ppm1      1.801 ppm2      4.747

ASSI {306}   (( resid 138  and name  HG11))   (( resid 136  and name  HA  )) 2.763 1.063 3.842 peak 17331 weight  1.00000E+00 volume  7.17703E+05 ppm1      1.492 ppm2      4.774 !1

ASSI {307}   (( resid 176  and name  HB  ))   (( resid 136  and name  HA  )) 2.78 1.08 3.81 peak 22730 weight  1.00000E+00 volume  7.26215E+05 ppm1      1.640 ppm2      4.816 !3

ASSI {308}   (  resid 94   and name  HE# )   (( resid 137  and name  HA  )) 3.462 1.762 2.462 peak 20881 weight  1.00000E+00 volume  1.98509E+05 ppm1      5.313 ppm2      6.863 !1

ASSI {309}   (( resid 138  and name  HG11))   (( resid 138  and name  HN  )) 3.199 1.398 1.398 peak 10718 weight  1.00000E+00 volume  2.13586E+05 ppm1      1.485 ppm2      9.432

ASSI {310}   (( resid 139  and name  HA  ))   (( resid 138  and name  HN  )) 3.777 1.977 1.977 peak 18981 weight  1.00000E+00 volume  5.13119E+04 ppm1      5.478 ppm2      9.479

ASSI {311}   (  resid 138  and name  HG2#)   (( resid 61   and name  HN  )) 3.54 1.74 1.74 peak 19888 weight  1.00000E+00 volume  2.75663E+05 ppm1      0.320 ppm2      8.151

ASSI {312}   (  resid 138  and name  HG2#)   (( resid 150  and name  HN  )) 3.106 1.306 1.306 peak 19890 weight  1.00000E+00 volume  8.39198E+05 ppm1      0.319 ppm2      8.752

ASSI {313}   (  resid 138  and name  HG2#)   (( resid 149  and name  HA  )) 3.784 1.984 1.984 peak 20643 weight  1.00000E+00 volume  1.59735E+05 ppm1      4.903 ppm2      0.349

ASSI {314}   (( resid 46   and name  HA  ))   (  resid 138  and name  HD1#) 3.111 1.411 4.801 peak 20904 weight  1.00000E+00 volume  8.23500E+05 ppm1      0.785 ppm2      4.820 !3

ASSI {315}   (  resid 138  and name  HD1#)   (( resid 61   and name  HA  )) 3.174 1.474 2.144 peak 20905 weight  1.00000E+00 volume  7.06171E+05 ppm1      0.788 ppm2      4.999 !1

ASSI {316}   (( resid 139  and name  HB2 ))   (( resid 170  and name  HA  )) 3.402 1.702 4.493 peak 16011 weight  1.00000E+00 volume  1.23687E+05 ppm1      4.475 ppm2      2.995 !3

ASSI {317}   (( resid 173  and name  HB2 ))   (( resid 139  and name  HA  )) 3.092 1.292 1.292 peak 18959 weight  1.00000E+00 volume  2.78100E+05 ppm1      5.476 ppm2      3.769

ASSI {318}   (( resid 139  and name  HB2 ))   (( resid 139  and name  HA  )) 2.897 1.097 1.097 peak 18962 weight  1.00000E+00 volume  4.67329E+05 ppm1      5.476 ppm2      2.995

ASSI {319}   (( resid 139  and name  HA  ))   (  resid 139  and name  HD# ) 2.913 1.113 1.113 peak 18976 weight  1.00000E+00 volume  9.04016E+05 ppm1      5.474 ppm2      6.157

ASSI {320}   (  resid 140  and name  HD# )   (( resid 139  and name  HA  )) 3.65 1.85 1.85 peak 18979 weight  1.00000E+00 volume  1.29887E+05 ppm1      5.482 ppm2      7.145

ASSI {321}   (( resid 140  and name  HB2 ))   (( resid 174  and name  HA  )) 3.187 1.487 4.367 peak 14527 weight  1.00000E+00 volume  2.07622E+05 ppm1      3.588 ppm2      5.224 !3

ASSI {322}   (( resid 170  and name  HA  ))   (( resid 140  and name  HN  )) 3.364 1.664 3.064 peak 16033 weight  1.00000E+00 volume  1.27236E+05 ppm1      4.472 ppm2      8.929 !1

ASSI {323}   (( resid 140  and name  HB1 ))   (( resid 146  and name  HA  )) 3.25 1.45 1.45 peak 17502 weight  1.00000E+00 volume  1.77700E+05 ppm1      4.869 ppm2      3.295

ASSI {324}   (( resid 150  and name  HB2 ))   (( resid 140  and name  HA  )) 2.842 1.142 3.762 peak 18534 weight  1.00000E+00 volume  5.66920E+05 ppm1      5.769 ppm2      3.552 !1

ASSI {325}   (( resid 149  and name  HB1 ))   (( resid 140  and name  HA  )) 3.196 1.496 2.206 peak 18539 weight  1.00000E+00 volume  1.98372E+05 ppm1      5.769 ppm2      1.777 !1

ASSI {326}   (( resid 148  and name  HA  ))   (  resid 140  and name  HE# ) 3.959 2.259 2.969 peak 19509 weight  1.00000E+00 volume  6.87598E+04 ppm1      4.074 ppm2      6.664 !1

ASSI {327}   (( resid 171  and name  HG2 ))   (( resid 141  and name  HN  )) 3.355 1.655 3.655 peak 12628 weight  1.00000E+00 volume  1.29664E+05 ppm1      2.321 ppm2      9.256 !2

ASSI {328}   (( resid 141  and name  HG1 ))   (( resid 167  and name  HA  )) 3.264 1.564 5.205 peak 18038 weight  1.00000E+00 volume  1.70977E+05 ppm1      2.639 ppm2      4.950 !3

ASSI {329}   (( resid 141  and name  HG1 ))   (( resid 141  and name  HN  )) 3.186 1.486 2.036 peak 18044 weight  1.00000E+00 volume  2.17412E+05 ppm1      2.646 ppm2      9.222 !1

ASSI {330}   (( resid 142  and name  HA  ))   (  resid 143  and name  HD# ) 2.502 0.702 0.702 peak 20488 weight  1.00000E+00 volume  1.80436E+06 ppm1      4.988 ppm2      3.639

ASSI {331}   (( resid 142  and name  HA  ))   (  resid 143  and name  HG# ) 2.91 1.11 1.11 peak 20491 weight  1.00000E+00 volume  4.57907E+05 ppm1      4.993 ppm2      2.018

ASSI {332}   (( resid 143  and name  HD1 ))   (( resid 171  and name  HA  )) 2.967 1.267 3.917 peak 16520 weight  1.00000E+00 volume  3.68362E+05 ppm1      3.676 ppm2      4.720 !3

ASSI {333}   (( resid 143  and name  HA  ))   (( resid 144  and name  HA  )) 2.811 1.111 2.551 peak 17009 weight  1.00000E+00 volume  6.32011E+05 ppm1      3.153 ppm2      4.134 !2

ASSI {334}   (( resid 144  and name  HA  ))   (( resid 144  and name  HD21)) 2.997 1.197 1.197 peak 17016 weight  1.00000E+00 volume  3.56178E+05 ppm1      3.165 ppm2      7.359

ASSI {335}   (  resid 172  and name  HB# )   (( resid 145  and name  HA  )) 3.316 1.616 2.075 peak 15449 weight  1.00000E+00 volume  1.50278E+05 ppm1      4.214 ppm2      2.790 !1

ASSI {336}   (( resid 145  and name  HA  ))   (( resid 174  and name  HA  )) 3.114 1.414 4.083 peak 15960 weight  1.00000E+00 volume  2.92848E+05 ppm1      2.810 ppm2      5.235 !2

ASSI {337}   (( resid 148  and name  HA  ))   (( resid 146  and name  HA  )) 3.193 1.493 3.903 peak 17501 weight  1.00000E+00 volume  2.14209E+05 ppm1      4.863 ppm2      4.047 !2

ASSI {338}   (( resid 149  and name  HG1 ))   (( resid 146  and name  HA  )) 2.913 1.213 4.603 peak 17504 weight  1.00000E+00 volume  4.30203E+05 ppm1      4.873 ppm2      2.299 !4

ASSI {339}   (( resid 148  and name  HA  ))   (( resid 149  and name  HB2 )) 3.203 1.503 3.023 peak 12101 weight  1.00000E+00 volume  2.00473E+05 ppm1      1.549 ppm2      4.057 !2

ASSI {340}   (( resid 149  and name  HG2 ))   (( resid 148  and name  HA  )) 3.209 1.509 3.289 peak 12271 weight  1.00000E+00 volume  1.88681E+05 ppm1      2.493 ppm2      4.052 !2

ASSI {341}   (( resid 165  and name  HA  ))   (( resid 148  and name  HD1 )) 3.177 1.477 4.147 peak 13981 weight  1.00000E+00 volume  2.19014E+05 ppm1      4.515 ppm2      3.232 !4

ASSI {342}   (( resid 148  and name  HA  ))   (  resid 76   and name  HD2#) 3.623 1.923 2.893 peak 15099 weight  1.00000E+00 volume  2.26555E+05 ppm1      0.603 ppm2      4.105 !1

ASSI {343}   (( resid 148  and name  HB1 ))   (( resid 58   and name  HA  )) 3.224 1.524 4.175 peak 18436 weight  1.00000E+00 volume  1.95330E+05 ppm1      4.216 ppm2      1.636 !4

ASSI {344}   (( resid 148  and name  HA  ))   (  resid 58   and name  HD# ) 3.608 1.808 1.808 peak 19510 weight  1.00000E+00 volume  1.53612E+05 ppm1      4.078 ppm2      7.187

ASSI {345}   (( resid 148  and name  HA  ))   (  resid 58   and name  HB# ) 3.356 1.656 2.586 peak 19516 weight  1.00000E+00 volume  1.46442E+05 ppm1      4.085 ppm2      2.945 !1

ASSI {346}   (( resid 148  and name  HG2 ))   (( resid 148  and name  HA  )) 2.752 0.952 0.952 peak 22613 weight  1.00000E+00 volume  7.21343E+05 ppm1      1.804 ppm2      4.065

ASSI {347}   (( resid 150  and name  HB2 ))   (( resid 163  and name  HA  )) 3.222 1.522 2.682 peak 14098 weight  1.00000E+00 volume  1.89636E+05 ppm1      5.328 ppm2      3.599 !1

ASSI {348}   (( resid 150  and name  HA  ))   (( resid 151  and name  HN  )) 2.664 0.864 0.864 peak 18197 weight  1.00000E+00 volume  9.33813E+05 ppm1      4.943 ppm2      8.241

ASSI {349}   (( resid 61   and name  HA  ))   (  resid 151  and name  HD# ) 3.761 1.962 1.962 peak 10739 weight  1.00000E+00 volume  1.52566E+05 ppm1      0.757 ppm2      5.000

ASSI {350}   (  resid 61   and name  HD1#)   (( resid 152  and name  HN  )) 3.872 2.172 3.412 peak 14923 weight  1.00000E+00 volume  1.38132E+05 ppm1      0.660 ppm2      9.357 !1

ASSI {351}   (( resid 160  and name  HA  ))   (( resid 159  and name  HB2 )) 2.841 1.141 1.921 peak 16233 weight  1.00000E+00 volume  5.57965E+05 ppm1      1.944 ppm2      1.087 !1

ASSI {352}   (( resid 159  and name  HB1 ))   (( resid 161  and name  HN  )) 3.023 1.223 1.223 peak 16257 weight  1.00000E+00 volume  3.22327E+05 ppm1      1.563 ppm2      7.155

ASSI {353}   (  resid 161  and name  HD1#)   (( resid 160  and name  HA  )) 3.299 1.499 1.499 peak 12656 weight  1.00000E+00 volume  4.70396E+05 ppm1      1.062 ppm2      0.762
OR {353}   (( resid 160  and name  HA  ))   (  resid 161  and name  HG2#)

ASSI {354}   (( resid 160  and name  HD2 ))   (( resid 168  and name  HA  )) 3.024 1.324 3.634 peak 15929 weight  1.00000E+00 volume  3.19101E+05 ppm1      4.596 ppm2      4.069 !3

ASSI {355}   (( resid 160  and name  HA  ))   (( resid 161  and name  HA  )) 2.889 1.189 2.879 peak 18331 weight  1.00000E+00 volume  5.15023E+05 ppm1      4.192 ppm2      1.051 !2

ASSI {356}   (  resid 161  and name  HD1#)   (( resid 164  and name  HN  )) 3.575 1.875 2.576 peak 13895 weight  1.00000E+00 volume  2.53799E+05 ppm1      0.731 ppm2      7.791 !1

ASSI {357}   (( resid 161  and name  HB  ))   (( resid 163  and name  HA  )) 3.119 1.419 5.229 peak 14103 weight  1.00000E+00 volume  2.37561E+05 ppm1      5.320 ppm2      1.695 !2

ASSI {358}   (( resid 161  and name  HG11))   (( resid 162  and name  HA  )) 2.975 1.275 3.715 peak 14956 weight  1.00000E+00 volume  3.73754E+05 ppm1      4.590 ppm2      1.224 !2

ASSI {359}   (  resid 161  and name  HG2#)   (( resid 162  and name  HN  )) 2.917 1.117 1.117 peak 17217 weight  1.00000E+00 volume  1.40307E+06 ppm1      0.727 ppm2      8.126

ASSI {360}   (( resid 167  and name  HB1 ))   (( resid 161  and name  HN  )) 3.357 1.657 5.027 peak 17494 weight  1.00000E+00 volume  1.40018E+05 ppm1      4.158 ppm2      7.206 !2

ASSI {361}   (( resid 162  and name  HB2 ))   (( resid 163  and name  HA  )) 2.87 1.17 2.711 peak 14099 weight  1.00000E+00 volume  5.05070E+05 ppm1      5.328 ppm2      3.109 !1

ASSI {362}   (  resid 170  and name  HG1#)   (( resid 163  and name  HA  )) 3.522 1.822 5.583 peak 14105 weight  1.00000E+00 volume  2.85507E+05 ppm1      5.326 ppm2      0.478 !2

ASSI {363}   (( resid 163  and name  HB1 ))   (( resid 163  and name  HN  )) 3.465 1.665 1.665 peak 17648 weight  1.00000E+00 volume  1.05480E+05 ppm1      2.495 ppm2      7.570

ASSI {364}   (  resid 168  and name  HD# )   (( resid 169  and name  HA  )) 3.25 1.55 1.98 peak 11246 weight  1.00000E+00 volume  1.72641E+05 ppm1      4.482 ppm2      3.689 !1

ASSI {365}   (( resid 168  and name  HA  ))   (( resid 168  and name  HG1 )) 2.8 1.1 1.56 peak 14477 weight  1.00000E+00 volume  5.96686E+05 ppm1      1.655 ppm2      4.602 !1

ASSI {366}   (( resid 168  and name  HA  ))   (( resid 168  and name  HG2 )) 2.774 0.974 0.974 peak 21726 weight  1.00000E+00 volume  6.59771E+05 ppm1      1.698 ppm2      4.600

ASSI {367}   (  resid 169  and name  HB# )   (( resid 171  and name  HA  )) 3.066 1.366 3.585 peak 21479 weight  1.00000E+00 volume  9.50480E+05 ppm1      1.449 ppm2      4.789 !2

ASSI {368}   (( resid 171  and name  HG2 ))   (( resid 171  and name  HN  )) 2.946 1.246 2.366 peak 12624 weight  1.00000E+00 volume  4.02745E+05 ppm1      2.333 ppm2      8.520 !2

ASSI {369}   (  resid 172  and name  HB# )   (( resid 171  and name  HA  )) 3.5 1.7 1.7 peak 15457 weight  1.00000E+00 volume  9.83164E+04 ppm1      4.220 ppm2      4.732

ASSI {370}   (( resid 172  and name  HA  ))   (  resid 173  and name  HD# ) 3.535 1.735 1.735 peak 10802 weight  1.00000E+00 volume  1.71059E+05 ppm1      4.566 ppm2      6.965

ASSI {371}   (  resid 172  and name  HB# )   (( resid 174  and name  HA  )) 2.825 1.125 3.756 peak 15458 weight  1.00000E+00 volume  6.13510E+05 ppm1      4.214 ppm2      5.234 !2

ASSI {372}   (( resid 173  and name  HA  ))   (( resid 174  and name  HA  )) 3.378 1.678 2.378 peak 18251 weight  1.00000E+00 volume  1.25490E+05 ppm1      5.261 ppm2      6.389 !1

ASSI {373}   (  resid 173  and name  HD# )   (( resid 174  and name  HA  )) 3.256 1.456 1.456 peak 18253 weight  1.00000E+00 volume  3.52198E+05 ppm1      5.257 ppm2      6.954

ASSI {374}   (  resid 175  and name  HG# )   (( resid 174  and name  HA  )) 3.503 1.703 1.703 peak 12748 weight  1.00000E+00 volume  1.16076E+05 ppm1      0.557 ppm2      5.286

ASSI {375}   (( resid 174  and name  HG1 ))   (( resid 174  and name  HN  )) 3.234 1.434 1.434 peak 14679 weight  1.00000E+00 volume  1.82267E+05 ppm1      1.544 ppm2      9.511

ASSI {376}   (( resid 174  and name  HB2 ))   (( resid 174  and name  HA  )) 2.553 0.7525 0.7525 peak 18240 weight  1.00000E+00 volume  1.50461E+06 ppm1      5.258 ppm2      1.691

ASSI {377}   (( resid 175  and name  HB2 ))   (( resid 174  and name  HA  )) 3.324 1.624 2.503 peak 18247 weight  1.00000E+00 volume  1.54552E+05 ppm1      5.259 ppm2      0.147 !1

ASSI {378}   (  resid 86   and name  HG2#)   (( resid 176  and name  HA  )) 2.912 1.212 6.542 peak 12160 weight  1.00000E+00 volume  1.38372E+06 ppm1      4.053 ppm2      0.612 !4

ASSI {379}   (( resid 176  and name  HA  ))   (( resid 177  and name  HA  )) 2.689 0.989 1.959 peak 18321 weight  1.00000E+00 volume  8.37756E+05 ppm1      4.189 ppm2      4.024 !1

ASSI {380}   (( resid 88   and name  HA  ))   (( resid 178  and name  HB1 )) 3.004 1.304 3.644 peak 19754 weight  1.00000E+00 volume  3.45746E+05 ppm1      4.538 ppm2      1.953 !3

!ASSI {381}   (( resid 151  and name  HG  ))   (( resid 136  and name  HA  )) 2.968 1.268 5.138 peak 22425 weight  1.00000E+00 volume  3.81306E+05 ppm1      1.359 ppm2      4.807 !6

!ASSI {382}   (( resid 24   and name  HA  ))   (( resid 43   and name  HB2 )) 2.752 1.052 5.511 peak 17242 weight  1.00000E+00 volume  7.00459E+05 ppm1      5.276 ppm2      1.934 !4

!ASSI {383}   (( resid 80   and name  HB2 ))   (( resid 10   and name  HN  )) 3.444 1.744 5.554 peak 12878 weight  1.00000E+00 volume  1.19298E+05 ppm1      1.327 ppm2      8.663 !3

!ASSI {384}   (( resid 116  and name  HD2 ))   (( resid 113  and name  HA  )) 3.187 1.487 6.467 peak 17125 weight  1.00000E+00 volume  2.15147E+05 ppm1      4.740 ppm2      3.497 !4

!ASSI {385}   (( resid 139  and name  HB2 ))   (( resid 168  and name  HA  )) 3.327 1.627 6.376 peak 15934 weight  1.00000E+00 volume  1.54046E+05 ppm1      4.591 ppm2      2.959 !3

!ASSI {386}   (( resid 140  and name  HB1 ))   (( resid 174  and name  HA  )) 2.973 1.273 6.143 peak 14526 weight  1.00000E+00 volume  3.81167E+05 ppm1      3.306 ppm2      5.230 !3

!ASSI {387}   (( resid 172  and name  HA  ))   (( resid 143  and name  HD1 )) 2.377 0.677 6.087 peak 16519 weight  1.00000E+00 volume  2.92358E+06 ppm1      3.681 ppm2      4.540 !4

!ASSI {388}   (  resid 176  and name  HD1#)   (( resid 48   and name  HN  )) 3.804 2.104 4.364 peak 17621 weight  1.00000E+00 volume  1.47802E+05 ppm1      0.649 ppm2      9.492 !3

!ASSI {389}   (( resid 53   and name  HD2 ))   (( resid 31   and name  HA  )) 3.213 1.513 5.273 peak 20104 weight  1.00000E+00 volume  1.90068E+05 ppm1      3.345 ppm2      4.831 !4

!ASSI {390}   (( resid 8    and name  HA  ))   (( resid 20   and name  HG2 )) 3.545 1.845 7.645 peak 12943 weight  1.00000E+00 volume  8.85619E+04 ppm1      1.115 ppm2      4.458 !3

!ASSI {391}   (( resid 60   and name  HB1 ))   (( resid 47   and name  HN  )) 3.538 1.838 6.108 peak 16480 weight  1.00000E+00 volume  8.13352E+04 ppm1      2.348 ppm2      8.554 !3

!ASSI {392}   (  resid 61   and name  HD1#)   (( resid 83   and name  HA  )) 4.054 2.354 4.424 peak 19781 weight  1.00000E+00 volume  8.88091E+04 ppm1      6.441 ppm2      0.690 !3

!ASSI {393}   (  resid 9    and name  HG2#)   (( resid 66   and name  HA  )) 2.943 1.243 5.263 peak 11893 weight  1.00000E+00 volume  1.23154E+06 ppm1      0.544 ppm2      4.805 !4

!ASSI {394}   (( resid 109  and name  HA  ))   (( resid 100  and name  HB2 )) 2.915 1.215 6.255 peak 15150 weight  1.00000E+00 volume  4.21887E+05 ppm1      4.583 ppm2      2.428 !2

!ASSI {395}   (( resid 103  and name  HA  ))   (( resid 105  and name  HA  )) 2.844 1.144 5.294 peak 16999 weight  1.00000E+00 volume  5.47910E+05 ppm1      4.896 ppm2      3.106 !3

!ASSI {396}   (( resid 110  and name  HB2 ))   (( resid 98   and name  HA  )) 2.659 0.959 5.888 peak 20380 weight  1.00000E+00 volume  1.01445E+06 ppm1      1.915 ppm2      4.768 !3

!ASSI {397}   (( resid 137  and name  HH2 ))   (( resid 115  and name  HA  )) 2.91 1.21 6.37 peak 15317 weight  1.00000E+00 volume  4.54569E+05 ppm1      4.943 ppm2      6.883 !4

!ASSI {398}   (( resid 118  and name  HG11))   (( resid 174  and name  HA  )) 3.51 1.81 5.19 peak 18243 weight  1.00000E+00 volume  8.40617E+04 ppm1      5.261 ppm2      1.075 !3

!ASSI {399}   (( resid 119  and name  HB1 ))   (( resid 171  and name  HN  )) 2.869 1.169 5.919 peak 16132 weight  1.00000E+00 volume  5.06296E+05 ppm1      2.121 ppm2      8.500 !4

!ASSI {400}   (( resid 137  and name  HB1 ))   (( resid 151  and name  HN  )) 3.343 1.643 5.012 peak 12314 weight  1.00000E+00 volume  1.41226E+05 ppm1      3.056 ppm2      8.244 !3

!ASSI {401}   (( resid 61   and name  HA  ))   (( resid 151  and name  HG  )) 2.992 1.292 5.042 peak 18372 weight  1.00000E+00 volume  3.54838E+05 ppm1      1.358 ppm2      5.003 !3

!ASSI {402}   (( resid 93   and name  HA  ))   (  resid 175  and name  HG# ) 3.384 1.684 5.344 peak 15048 weight  1.00000E+00 volume  1.25053E+05 ppm1      4.482 ppm2      0.528 !4

!ASSI {403}   (( resid 31   and name  HA  ))   (  resid 27   and name  HB# ) 3.228 1.528 5.558 peak 21029 weight  1.00000E+00 volume  1.82413E+05 ppm1      3.447 ppm2      4.833 !3

!ASSI {404}   (( resid 105  and name  HB1 ))   (( resid 158  and name  HA  )) 2.87 1.17 6.96 peak 13232 weight  1.00000E+00 volume  5.16770E+05 ppm1      3.780 ppm2      3.415 !3

!ASSI {405}   (  resid 170  and name  HG2#)   (( resid 116  and name  HA  )) 3.459 1.759 5.879 peak 18637 weight  1.00000E+00 volume  3.23479E+05 ppm1      3.946 ppm2      0.831 !3

!ASSI {406}   (( resid 103  and name  HA  ))   (( resid 105  and name  HB1 )) 3.024 1.324 5.154 peak 13238 weight  1.00000E+00 volume  3.33005E+05 ppm1      3.778 ppm2      3.111 !3

!ASSI {407}   (( resid 73   and name  HA  ))   (( resid 68   and name  HD2 )) 3.149 1.449 5.569 peak 20186 weight  1.00000E+00 volume  2.28314E+05 ppm1      5.321 ppm2      3.948 !4

!ASSI {408}   (( resid 149  and name  HG1 ))   (( resid 58   and name  HA  )) 3.25 1.55 6.3 peak 18434 weight  1.00000E+00 volume  1.76313E+05 ppm1      4.223 ppm2      2.305 !3

!ASSI {409}   (( resid 77   and name  HA  ))   (( resid 71   and name  HG1 )) 3.01 1.31 5.51 peak 17844 weight  1.00000E+00 volume  3.10489E+05 ppm1      2.444 ppm2      3.626 !3

!ASSI {410}   (( resid 151  and name  HB1 ))   (( resid 47   and name  HA  )) 3.363 1.663 6.693 peak 12490 weight  1.00000E+00 volume  1.31586E+05 ppm1      1.186 ppm2      4.851 !3

!ASSI {411}   (( resid 120  and name  HB2 ))   (( resid 115  and name  HA  )) 2.625 0.925 7.445 peak 15309 weight  1.00000E+00 volume  1.12887E+06 ppm1      4.943 ppm2      1.855 !3

!ASSI {412}   (  resid 170  and name  HG2#)   (( resid 117  and name  HA  )) 3.409 1.709 4.669 peak 13880 weight  1.00000E+00 volume  3.35554E+05 ppm1      4.909 ppm2      0.765 !3

!ASSI {413}   (( resid 118  and name  HA  ))   (( resid 98   and name  HG12)) 3.292 1.592 4.932 peak 21110 weight  1.00000E+00 volume  1.61025E+05 ppm1      3.967 ppm2      1.346 !3

!ASSI {414}   (( resid 75   and name  HA2 ))   (( resid 51   and name  HA  )) 3.429 1.729 6.37 peak 13557 weight  1.00000E+00 volume  1.22551E+05 ppm1      3.679 ppm2      4.768 !4

!ASSI {415}   (( resid 104  and name  HN  ))   (  resid 159  and name  HE# ) 3.318 1.618 6.248 peak 17560 weight  1.00000E+00 volume  1.46146E+05 ppm1      2.887 ppm2      7.936 !3

!ASSI {416}   (( resid 95   and name  HA  ))   (( resid 133  and name  HB2 )) 3.465 1.765 5.574 peak 14389 weight  1.00000E+00 volume  1.06887E+05 ppm1      1.344 ppm2      4.994 !3

!ASSI {417}   (( resid 73   and name  HB2 ))   (( resid 66   and name  HA  )) 3.35 1.65 7.82 peak 12521 weight  1.00000E+00 volume  1.33587E+05 ppm1      3.451 ppm2      4.807 !4

!ASSI {418}   (( resid 37   and name  HA  ))   (( resid 19   and name  HG2 )) 3.25 1.55 6.82 peak 16313 weight  1.00000E+00 volume  1.74853E+05 ppm1      5.318 ppm2      1.947 !3

ASSI {0}   (( resid 2    and name  HB1 ))   (  resid 4    and name  HG2#) 3.706 2.006 3.416 peak 18919 weight  1.00000E+00 volume  1.92901E+05 ppm1      3.888 ppm2      1.251 !2

ASSI {1}   (( resid 2    and name  HB2 ))   (  resid 4    and name  HG2#) 3.627 1.927 3.167 peak 22526 weight  1.00000E+00 volume  2.33706E+05 ppm1      3.857 ppm2      1.252 !2

ASSI {2}   (  resid 3    and name  HD# )   (  resid 3    and name  HE# ) 2.208 0.408 0.408 peak 10763 weight  1.00000E+00 volume  6.59234E+06 ppm1      1.686 ppm2      2.993

ASSI {3}   (( resid 3    and name  HG2 ))   (( resid 3    and name  HB1 )) 2.613 0.813 0.813 peak 18053 weight  1.00000E+00 volume  1.16098E+06 ppm1      1.480 ppm2      1.867

ASSI {4}   (( resid 3    and name  HG1 ))   (( resid 3    and name  HB1 )) 2.562 0.7615 0.7615 peak 22378 weight  1.00000E+00 volume  1.41868E+06 ppm1      1.437 ppm2      1.860

ASSI {5}   (  resid 6    and name  HG2#)   (  resid 8    and name  HG2#) 4.264 2.464 2.464 peak 14021 weight  1.00000E+00 volume  2.07649E+05 ppm1      0.991 ppm2     -0.548

ASSI {6}   (( resid 7    and name  HG1 ))   (  resid 8    and name  HG2#) 3.255 1.455 1.455 peak 11094 weight  1.00000E+00 volume  5.64399E+05 ppm1      1.178 ppm2     -0.587

ASSI {7}   (( resid 7    and name  HB1 ))   (  resid 8    and name  HD1#) 3.9 2.2 3.46 peak 20272 weight  1.00000E+00 volume  1.35130E+05 ppm1      1.629 ppm2     -0.036 !2

ASSI {8}   (( resid 7    and name  HB1 ))   (( resid 9    and name  HB  )) 2.843 1.143 5.353 peak 20278 weight  1.00000E+00 volume  5.55237E+05 ppm1      1.635 ppm2      3.526 !3

ASSI {9}   (( resid 8    and name  HG12))   (( resid 83   and name  HB2 )) 3.428 1.728 3.258 peak 10958 weight  1.00000E+00 volume  1.13202E+05 ppm1      3.733 ppm2     -0.757 !1

ASSI {10}   (( resid 9    and name  HB  ))   (  resid 8    and name  HD1#) 4.069 2.269 2.269 peak 20976 weight  1.00000E+00 volume  9.48362E+04 ppm1      3.525 ppm2     -0.091

ASSI {11}   (( resid 8    and name  HB  ))   (( resid 8    and name  HG11)) 2.965 1.165 1.165 peak 22550 weight  1.00000E+00 volume  3.89433E+05 ppm1      0.521 ppm2     -0.406

ASSI {12}   (( resid 19   and name  HB1 ))   (( resid 10   and name  HB2 )) 2.78 1.08 7.6 peak 12733 weight  1.00000E+00 volume  6.62495E+05 ppm1      1.859 ppm2      3.140 !3

ASSI {13}   (  resid 10   and name  HD# )   (( resid 40   and name  HB  )) 3.652 1.852 1.852 peak 14628 weight  1.00000E+00 volume  1.47695E+05 ppm1      1.189 ppm2      6.574

ASSI {14}   (  resid 66   and name  HB# )   (  resid 11   and name  HE# ) 3.429 1.729 4.509 peak 13227 weight  1.00000E+00 volume  2.25498E+05 ppm1      1.997 ppm2      7.083 !3

ASSI {15}   (( resid 11   and name  HB1 ))   (( resid 20   and name  HB2 )) 3.545 1.745 1.745 peak 13910 weight  1.00000E+00 volume  8.78003E+04 ppm1      1.363 ppm2      3.238

ASSI {16}   (( resid 20   and name  HB2 ))   (  resid 11   and name  HE# ) 3.536 1.736 1.736 peak 13925 weight  1.00000E+00 volume  1.80873E+05 ppm1      1.365 ppm2      7.030

ASSI {17}   (( resid 40   and name  HB  ))   (  resid 11   and name  HD# ) 3.229 1.529 2.229 peak 14629 weight  1.00000E+00 volume  3.70439E+05 ppm1      1.179 ppm2      6.740 !1

ASSI {18}   (( resid 11   and name  HB1 ))   (( resid 36   and name  HG2 )) 3.216 1.516 5.686 peak 18586 weight  1.00000E+00 volume  1.88481E+05 ppm1      3.214 ppm2      1.536 !2

ASSI {19}   (( resid 11   and name  HB2 ))   (( resid 39   and name  HB2 )) 3.372 1.572 1.572 peak 18599 weight  1.00000E+00 volume  1.26054E+05 ppm1      3.421 ppm2      4.297

ASSI {20}   (( resid 11   and name  HB2 ))   (  resid 11   and name  HE# ) 3.295 1.495 1.495 peak 18616 weight  1.00000E+00 volume  3.11420E+05 ppm1      3.407 ppm2      7.029

ASSI {21}   (( resid 11   and name  HB2 ))   (( resid 9    and name  HB  )) 2.97 1.27 3.849 peak 20963 weight  1.00000E+00 volume  4.00017E+05 ppm1      3.513 ppm2      3.381 !1

ASSI {22}   (( resid 34   and name  HB1 ))   (( resid 12   and name  HB2 )) 3.204 1.504 3.994 peak 14307 weight  1.00000E+00 volume  2.09438E+05 ppm1      1.880 ppm2      2.199 !3

ASSI {23}   (  resid 34   and name  HD1#)   (( resid 12   and name  HB1 )) 3.229 1.429 1.429 peak 19166 weight  1.00000E+00 volume  5.68493E+05 ppm1      0.870 ppm2      2.103

ASSI {24}   (  resid 34   and name  HD2#)   (( resid 12   and name  HG1 )) 3.034 1.334 1.804 peak 19262 weight  1.00000E+00 volume  9.25479E+05 ppm1      2.800 ppm2      0.803 !1

ASSI {25}   (  resid 34   and name  HD2#)   (( resid 12   and name  HG2 )) 3.071 1.271 1.271 peak 19263 weight  1.00000E+00 volume  8.38438E+05 ppm1      2.743 ppm2      0.806

ASSI {26}   (( resid 14   and name  HG2 ))   (( resid 71   and name  HG1 )) 2.692 0.992 4.121 peak 17841 weight  1.00000E+00 volume  8.51786E+05 ppm1      2.440 ppm2      1.502 !4

ASSI {27}   (( resid 15   and name  HB2 ))   (( resid 14   and name  HG2 )) 3.144 1.444 4.114 peak 19378 weight  1.00000E+00 volume  2.32665E+05 ppm1      2.818 ppm2      1.443 !2

ASSI {28}   (( resid 69   and name  HG1 ))   (( resid 15   and name  HD22)) 2.95 1.25 1.92 peak 18154 weight  1.00000E+00 volume  4.04666E+05 ppm1      2.072 ppm2      6.812 !1

ASSI {29}   (  resid 16   and name  HE# )   (( resid 67   and name  HB1 )) 3.042 1.342 2.122 peak 17072 weight  1.00000E+00 volume  6.20274E+05 ppm1      3.811 ppm2      7.236 !1

ASSI {30}   (( resid 19   and name  HG2 ))   (( resid 18   and name  HA2 )) 3.082 1.382 3.262 peak 17163 weight  1.00000E+00 volume  2.66033E+05 ppm1      4.505 ppm2      1.894 !2
OR {30}   (( resid 18   and name  HA2 ))   (( resid 19   and name  HB1 ))

ASSI {31}   (( resid 20   and name  HG2 ))   (( resid 20   and name  HB1 )) 2.538 0.738 0.738 peak 12923 weight  1.00000E+00 volume  1.46082E+06 ppm1      1.115 ppm2      1.248

ASSI {32}   (  resid 34   and name  HD1#)   (( resid 20   and name  HG1 )) 3.222 1.522 3.112 peak 12925 weight  1.00000E+00 volume  5.78508E+05 ppm1      1.463 ppm2      0.895 !2

ASSI {33}   (  resid 34   and name  HD1#)   (( resid 20   and name  HG2 )) 3.217 1.517 3.167 peak 12926 weight  1.00000E+00 volume  5.62869E+05 ppm1      1.103 ppm2      0.894 !2

ASSI {34}   (( resid 20   and name  HB1 ))   (( resid 20   and name  HB2 )) 2.298 0.498 0.498 peak 13897 weight  1.00000E+00 volume  4.16622E+06 ppm1      1.360 ppm2      1.195

ASSI {35}   (  resid 34   and name  HD1#)   (( resid 20   and name  HB1 )) 3.46 1.659 1.659 peak 13902 weight  1.00000E+00 volume  3.48433E+05 ppm1      1.208 ppm2      0.898

ASSI {36}   (  resid 34   and name  HD1#)   (( resid 20   and name  HD2 )) 3.649 1.949 2.409 peak 17356 weight  1.00000E+00 volume  2.05870E+05 ppm1      3.071 ppm2      0.903 !1

ASSI {37}   (  resid 9    and name  HG2#)   (( resid 20   and name  HD2 )) 2.947 1.147 1.147 peak 17358 weight  1.00000E+00 volume  1.27642E+06 ppm1      3.069 ppm2      0.560

ASSI {38}   (  resid 34   and name  HD2#)   (( resid 20   and name  HD2 )) 3.634 1.934 2.854 peak 22248 weight  1.00000E+00 volume  2.18736E+05 ppm1      3.075 ppm2      0.751 !2

ASSI {39}   (  resid 9    and name  HG2#)   (( resid 20   and name  HD1 )) 2.909 1.109 1.109 peak 22249 weight  1.00000E+00 volume  1.41817E+06 ppm1      2.994 ppm2      0.561

ASSI {40}   (( resid 36   and name  HB1 ))   (( resid 21   and name  HB2 )) 2.777 1.077 7.028 peak 17702 weight  1.00000E+00 volume  7.26613E+05 ppm1      2.058 ppm2      2.382 !2

ASSI {41}   (  resid 22   and name  HB# )   (( resid 24   and name  HB2 )) 3.0 1.3 6.12 peak 21800 weight  1.00000E+00 volume  3.20045E+05 ppm1      2.177 ppm2      2.510 !3

ASSI {42}   (( resid 8    and name  HG12))   (( resid 23   and name  HB2 )) 3.229 1.529 4.549 peak 13477 weight  1.00000E+00 volume  2.00240E+05 ppm1      3.037 ppm2     -0.746 !4

ASSI {43}   (( resid 7    and name  HG2 ))   (( resid 24   and name  HB2 )) 3.03 1.33 2.91 peak 17425 weight  1.00000E+00 volume  3.14414E+05 ppm1      1.209 ppm2      2.528 !2

ASSI {44}   (( resid 7    and name  HG1 ))   (( resid 24   and name  HB2 )) 2.849 1.149 2.06 peak 17426 weight  1.00000E+00 volume  5.62045E+05 ppm1      1.172 ppm2      2.529 !1

ASSI {45}   (( resid 53   and name  HB1 ))   (( resid 29   and name  HB1 )) 3.007 1.307 2.267 peak 14141 weight  1.00000E+00 volume  3.23434E+05 ppm1      2.673 ppm2      1.616 !2

ASSI {46}   (( resid 30   and name  HB2 ))   (( resid 33   and name  HB2 )) 3.198 1.398 1.398 peak 15652 weight  1.00000E+00 volume  2.04707E+05 ppm1      2.916 ppm2      2.218

ASSI {47}   (  resid 30   and name  HD# )   (( resid 33   and name  HB1 )) 3.241 1.441 1.441 peak 16661 weight  1.00000E+00 volume  3.46015E+05 ppm1      3.102 ppm2      6.822

ASSI {48}   (  resid 30   and name  HD# )   (( resid 80   and name  HG  )) 3.035 1.335 4.315 peak 19506 weight  1.00000E+00 volume  6.40763E+05 ppm1      1.794 ppm2      6.835 !3

ASSI {49}   (( resid 80   and name  HB2 ))   (( resid 30   and name  HZ  )) 3.16 1.46 3.67 peak 21501 weight  1.00000E+00 volume  2.35240E+05 ppm1      1.321 ppm2      5.773 !2

ASSI {50}   (( resid 81   and name  HB2 ))   (( resid 31   and name  HB2 )) 2.739 1.039 1.478 peak 13277 weight  1.00000E+00 volume  7.56910E+05 ppm1      3.565 ppm2      2.959 !1

ASSI {51}   (( resid 34   and name  HB2 ))   (( resid 33   and name  HB1 )) 3.333 1.533 1.533 peak 16638 weight  1.00000E+00 volume  1.46067E+05 ppm1      3.102 ppm2      1.275

ASSI {52}   (( resid 34   and name  HB1 ))   (( resid 34   and name  HG  )) 2.72 0.9205 0.9205 peak 14302 weight  1.00000E+00 volume  8.04670E+05 ppm1      1.878 ppm2      1.687

ASSI {53}   (( resid 34   and name  HB2 ))   (( resid 34   and name  HG  )) 2.633 0.833 0.833 peak 14303 weight  1.00000E+00 volume  1.16568E+06 ppm1      1.297 ppm2      1.687

ASSI {54}   (  resid 34   and name  HD1#)   (  resid 35   and name  HB# ) 3.256 1.456 1.456 peak 20233 weight  1.00000E+00 volume  5.24519E+05 ppm1      3.957 ppm2      0.845

ASSI {55}   (( resid 34   and name  HB1 ))   (  resid 40   and name  HD1#) 3.8 2.1 4.19 peak 20926 weight  1.00000E+00 volume  1.55223E+05 ppm1     -0.594 ppm2      1.851 !2

ASSI {56}   (( resid 40   and name  HB  ))   (( resid 39   and name  HB2 )) 3.434 1.734 2.295 peak 14622 weight  1.00000E+00 volume  1.12059E+05 ppm1      1.185 ppm2      4.348 !1

ASSI {57}   (( resid 67   and name  HB1 ))   (( resid 39   and name  HB2 )) 3.367 1.667 2.807 peak 17052 weight  1.00000E+00 volume  1.38605E+05 ppm1      3.804 ppm2      4.317 !2

ASSI {58}   (  resid 40   and name  HD1#)   (( resid 39   and name  HB2 )) 3.979 2.179 2.179 peak 20938 weight  1.00000E+00 volume  1.12412E+05 ppm1     -0.590 ppm2      4.296

ASSI {59}   (( resid 7    and name  HG1 ))   (  resid 40   and name  HG2#) 3.505 1.805 4.015 peak 11083 weight  1.00000E+00 volume  2.91431E+05 ppm1      1.179 ppm2      0.284 !3

ASSI {60}   (  resid 40   and name  HG2#)   (  resid 66   and name  HB# ) 4.04 2.24 2.24 peak 13217 weight  1.00000E+00 volume  8.84969E+04 ppm1      1.999 ppm2      0.230

ASSI {61}   (( resid 40   and name  HB  ))   (( resid 8    and name  HG12)) 3.29 1.59 3.38 peak 14612 weight  1.00000E+00 volume  1.59184E+05 ppm1      1.178 ppm2     -0.744 !3

ASSI {62}   (( resid 41   and name  HG1 ))   (( resid 66   and name  HG2 )) 2.667 0.967 3.407 peak 10766 weight  1.00000E+00 volume  1.00110E+06 ppm1      2.265 ppm2      0.789 !3

ASSI {63}   (( resid 41   and name  HG2 ))   (( resid 7    and name  HG1 )) 2.111 0.411 7.671 peak 11079 weight  1.00000E+00 volume  8.62035E+06 ppm1      1.182 ppm2      1.324 !4
OR {63}   (( resid 41   and name  HD1 ))   (( resid 7    and name  HG1 ))

ASSI {64}   (  resid 62   and name  HD1#)   (( resid 41   and name  HE2 )) 3.115 1.415 6.225 peak 14588 weight  1.00000E+00 volume  7.19754E+05 ppm1      1.697 ppm2      0.292 !2

ASSI {65}   (( resid 41   and name  HE2 ))   (( resid 66   and name  HG2 )) 2.424 0.624 0.624 peak 14773 weight  1.00000E+00 volume  2.49919E+06 ppm1      2.267 ppm2      1.685
OR {65}   (( resid 41   and name  HB2 ))   (( resid 66   and name  HG2 ))

ASSI {66}   (( resid 41   and name  HG2 ))   (( resid 9    and name  HB  )) 3.072 1.372 2.792 peak 20970 weight  1.00000E+00 volume  2.96965E+05 ppm1      3.520 ppm2      1.270 !1

ASSI {67}   (( resid 7    and name  HG1 ))   (  resid 42   and name  HG1#) 2.763 1.063 2.373 peak 11082 weight  1.00000E+00 volume  2.17172E+06 ppm1      1.181 ppm2      0.716 !1

ASSI {68}   (  resid 62   and name  HD2#)   (  resid 42   and name  HG2#) 4.027 2.227 2.227 peak 11596 weight  1.00000E+00 volume  2.98158E+05 ppm1      1.083 ppm2     -0.254

ASSI {69}   (( resid 43   and name  HB2 ))   (  resid 42   and name  HG1#) 3.631 1.931 2.331 peak 17698 weight  1.00000E+00 volume  2.00804E+05 ppm1      1.903 ppm2      0.711 !1

ASSI {70}   (( resid 44   and name  HA2 ))   (  resid 42   and name  HG2#) 3.604 1.904 3.374 peak 18935 weight  1.00000E+00 volume  2.26350E+05 ppm1      4.081 ppm2      1.047 !1

ASSI {71}   (  resid 67   and name  HD# )   (( resid 42   and name  HB  )) 3.331 1.631 3.891 peak 20837 weight  1.00000E+00 volume  2.74165E+05 ppm1      2.483 ppm2      7.014 !2

ASSI {72}   (  resid 62   and name  HD2#)   (( resid 42   and name  HB  )) 3.877 2.077 2.077 peak 22857 weight  1.00000E+00 volume  1.30933E+05 ppm1      2.480 ppm2     -0.242

ASSI {73}   (( resid 43   and name  HG2 ))   (( resid 64   and name  HE22)) 3.147 1.447 2.987 peak 10779 weight  1.00000E+00 volume  2.45811E+05 ppm1      2.216 ppm2      6.879 !2

ASSI {74}   (( resid 7    and name  HE2 ))   (( resid 43   and name  HB2 )) 2.642 0.842 0.842 peak 17700 weight  1.00000E+00 volume  1.06593E+06 ppm1      1.908 ppm2      2.668

ASSI {75}   (  resid 8    and name  HG2#)   (( resid 43   and name  HB2 )) 3.203 1.503 4.303 peak 17742 weight  1.00000E+00 volume  6.69147E+05 ppm1     -0.564 ppm2      1.926 !4

ASSI {76}   (( resid 64   and name  HG1 ))   (( resid 44   and name  HA2 )) 3.236 1.536 1.936 peak 18931 weight  1.00000E+00 volume  1.82173E+05 ppm1      4.087 ppm2      2.290 !1

ASSI {77}   (  resid 6    and name  HG2#)   (( resid 44   and name  HA1 )) 3.598 1.798 1.798 peak 18956 weight  1.00000E+00 volume  2.28444E+05 ppm1      4.237 ppm2      1.019

ASSI {78}   (  resid 6    and name  HG2#)   (( resid 45   and name  HA1 )) 3.011 1.212 1.212 peak 14026 weight  1.00000E+00 volume  1.14659E+06 ppm1      0.989 ppm2      3.868

ASSI {79}   (  resid 48   and name  HB# )   (( resid 47   and name  HB2 )) 3.837 2.037 2.037 peak 19547 weight  1.00000E+00 volume  1.43048E+05 ppm1      1.106 ppm2      2.689

ASSI {80}   (  resid 62   and name  HD2#)   (( resid 47   and name  HB2 )) 3.761 1.962 1.962 peak 19815 weight  1.00000E+00 volume  1.49917E+05 ppm1     -0.243 ppm2      2.692

ASSI {81}   (  resid 62   and name  HD2#)   (( resid 47   and name  HE3 )) 3.072 1.372 5.362 peak 19845 weight  1.00000E+00 volume  9.05173E+05 ppm1     -0.239 ppm2      7.209 !2

ASSI {82}   (  resid 48   and name  HB# )   (  resid 84   and name  HG# ) 2.827 1.027 1.027 peak 19532 weight  1.00000E+00 volume  1.84264E+06 ppm1      1.116 ppm2      1.315

ASSI {83}   (( resid 51   and name  HB1 ))   (( resid 49   and name  HB  )) 2.067 0.367 5.718 peak 11935 weight  1.00000E+00 volume  1.17781E+07 ppm1      2.313 ppm2      2.460 !1

ASSI {84}   (  resid 49   and name  HG1#)   (( resid 76   and name  HB2 )) 3.512 1.812 5.522 peak 20323 weight  1.00000E+00 volume  2.81591E+05 ppm1      1.462 ppm2      1.105 !1

ASSI {85}   (( resid 80   and name  HB1 ))   (( resid 50   and name  HB2 )) 3.108 1.408 5.728 peak 17034 weight  1.00000E+00 volume  2.61068E+05 ppm1      3.212 ppm2      1.536 !3

ASSI {86}   (  resid 84   and name  HB# )   (( resid 50   and name  HB1 )) 3.112 1.412 5.022 peak 22645 weight  1.00000E+00 volume  2.44334E+05 ppm1      3.318 ppm2      1.654 !1

ASSI {87}   (( resid 51   and name  HB1 ))   (( resid 57   and name  HA1 )) 2.932 1.132 1.132 peak 12400 weight  1.00000E+00 volume  4.17053E+05 ppm1      3.688 ppm2      2.469

ASSI {88}   (( resid 51   and name  HB1 ))   (( resid 51   and name  HB2 )) 2.44 0.64 0.64 peak 13865 weight  1.00000E+00 volume  2.15347E+06 ppm1      2.615 ppm2      2.464

ASSI {89}   (( resid 77   and name  HB1 ))   (( resid 51   and name  HG1 )) 3.395 1.695 2.105 peak 15475 weight  1.00000E+00 volume  1.24533E+05 ppm1      3.275 ppm2      2.679 !1

ASSI {90}   (( resid 52   and name  HG1 ))   (( resid 52   and name  HB1 )) 2.514 0.7135 0.7135 peak 14111 weight  1.00000E+00 volume  1.71659E+06 ppm1      1.224 ppm2      1.466

ASSI {91}   (( resid 57   and name  HA1 ))   (( resid 52   and name  HB1 )) 2.846 1.146 2.086 peak 14124 weight  1.00000E+00 volume  5.41002E+05 ppm1      1.230 ppm2      3.691 !1

ASSI {92}   (( resid 52   and name  HG2 ))   (( resid 57   and name  HA2 )) 2.917 1.217 2.257 peak 15435 weight  1.00000E+00 volume  4.65357E+05 ppm1      1.422 ppm2      4.270 !1

ASSI {93}   (( resid 52   and name  HG1 ))   (( resid 57   and name  HA2 )) 2.793 1.093 1.663 peak 15436 weight  1.00000E+00 volume  6.53033E+05 ppm1      1.484 ppm2      4.275 !1

ASSI {94}   (( resid 52   and name  HD2 ))   (( resid 57   and name  HA1 )) 3.056 1.356 1.916 peak 18215 weight  1.00000E+00 volume  3.22843E+05 ppm1      3.091 ppm2      3.700 !1

ASSI {95}   (( resid 52   and name  HD1 ))   (( resid 57   and name  HA2 )) 2.931 1.231 2.181 peak 18217 weight  1.00000E+00 volume  4.33726E+05 ppm1      2.980 ppm2      4.278 !2

ASSI {96}   (( resid 53   and name  HD1 ))   (( resid 52   and name  HD2 )) 2.933 1.233 3.873 peak 20086 weight  1.00000E+00 volume  4.06238E+05 ppm1      3.600 ppm2      3.058 !3

ASSI {97}   (  resid 52   and name  HG# )   (( resid 53   and name  HD2 )) 2.865 1.065 1.065 peak 20093 weight  1.00000E+00 volume  5.25515E+05 ppm1      3.350 ppm2      1.453

ASSI {98}   (( resid 52   and name  HG1 ))   (( resid 53   and name  HD1 )) 2.511 0.811 3.291 peak 20094 weight  1.00000E+00 volume  1.66978E+06 ppm1      3.595 ppm2      1.460 !3

ASSI {99}   (( resid 53   and name  HB2 ))   (  resid 56   and name  HB# ) 3.91 2.21 2.63 peak 16206 weight  1.00000E+00 volume  1.30025E+05 ppm1      1.260 ppm2      2.161 !1

ASSI {100}   (( resid 57   and name  HA1 ))   (  resid 56   and name  HB# ) 3.08 1.28 1.28 peak 16215 weight  1.00000E+00 volume  8.82503E+05 ppm1      1.258 ppm2      3.694

ASSI {101}   (( resid 60   and name  HB1 ))   (( resid 73   and name  HB2 )) 3.158 1.458 2.368 peak 16468 weight  1.00000E+00 volume  2.36426E+05 ppm1      2.355 ppm2      3.435 !1

ASSI {102}   (( resid 60   and name  HB1 ))   (( resid 73   and name  HD1 )) 3.165 1.465 4.505 peak 16476 weight  1.00000E+00 volume  2.14615E+05 ppm1      2.352 ppm2      6.043 !3

ASSI {103}   (( resid 61   and name  HB  ))   (( resid 60   and name  HB2 )) 3.152 1.452 5.442 peak 19668 weight  1.00000E+00 volume  2.32011E+05 ppm1      2.063 ppm2      3.195 !3

ASSI {104}   (( resid 61   and name  HB  ))   (( resid 63   and name  HD2 )) 3.508 1.808 3.258 peak 19674 weight  1.00000E+00 volume  9.48526E+04 ppm1      2.051 ppm2      4.125 !2

ASSI {105}   (  resid 62   and name  HD1#)   (  resid 72   and name  HD# ) 3.795 2.095 4.505 peak 17189 weight  1.00000E+00 volume  1.53859E+05 ppm1      3.425 ppm2      0.308 !2

ASSI {106}   (( resid 62   and name  HG  ))   (( resid 73   and name  HD1 )) 3.519 1.819 3.569 peak 17949 weight  1.00000E+00 volume  1.02127E+05 ppm1      1.116 ppm2      6.042 !2

ASSI {107}   (  resid 62   and name  HD2#)   (( resid 73   and name  HD1 )) 3.793 2.093 3.323 peak 19838 weight  1.00000E+00 volume  1.60260E+05 ppm1     -0.238 ppm2      6.047 !1

ASSI {108}   (  resid 62   and name  HD1#)   (( resid 73   and name  HD1 )) 3.429 1.729 2.779 peak 19839 weight  1.00000E+00 volume  3.67185E+05 ppm1      0.275 ppm2      6.047 !2

ASSI {109}   (( resid 62   and name  HG  ))   (( resid 8    and name  HG12)) 3.492 1.792 5.342 peak 22357 weight  1.00000E+00 volume  1.17684E+05 ppm1      1.104 ppm2     -0.741 !4

ASSI {110}   (( resid 63   and name  HD1 ))   (  resid 72   and name  HG# ) 2.49 0.79 8.521 peak 16917 weight  1.00000E+00 volume  1.72697E+06 ppm1      1.896 ppm2      3.627 !3

ASSI {111}   (  resid 67   and name  HD# )   (  resid 72   and name  HG# ) 3.075 1.275 1.275 peak 16925 weight  1.00000E+00 volume  5.54446E+05 ppm1      1.888 ppm2      7.028

ASSI {112}   (( resid 69   and name  HB1 ))   (( resid 69   and name  HG2 )) 2.365 0.565 0.565 peak 11264 weight  1.00000E+00 volume  2.74809E+06 ppm1      1.769 ppm2      1.972

ASSI {113}   (( resid 71   and name  HG2 ))   (( resid 71   and name  HE21)) 2.692 0.8915 0.8915 peak 22345 weight  1.00000E+00 volume  8.83294E+05 ppm1      2.101 ppm2      7.174

ASSI {114}   (( resid 72   and name  HB1 ))   (  resid 74   and name  HE# ) 2.735 1.035 4.665 peak 14398 weight  1.00000E+00 volume  1.15410E+06 ppm1      2.565 ppm2      2.396 !5
OR {114}   (( resid 72   and name  HB1 ))   (( resid 74   and name  HB1 ))

ASSI {115}   (( resid 72   and name  HB2 ))   (( resid 72   and name  HE  )) 3.492 1.792 2.642 peak 14434 weight  1.00000E+00 volume  1.00327E+05 ppm1      2.435 ppm2      7.743 !1

ASSI {116}   (( resid 73   and name  HB1 ))   (( resid 73   and name  HD1 )) 3.229 1.429 1.429 peak 12529 weight  1.00000E+00 volume  1.92434E+05 ppm1      2.564 ppm2      6.048

ASSI {117}   (( resid 73   and name  HB2 ))   (( resid 73   and name  HD1 )) 3.059 1.359 2.169 peak 12530 weight  1.00000E+00 volume  3.03540E+05 ppm1      3.458 ppm2      6.042 !1

ASSI {118}   (( resid 75   and name  HA1 ))   (( resid 73   and name  HD1 )) 3.129 1.429 3.279 peak 13555 weight  1.00000E+00 volume  2.48348E+05 ppm1      2.862 ppm2      6.044 !1

ASSI {119}   (( resid 74   and name  HB1 ))   (( resid 74   and name  HG1 )) 2.433 0.6325 0.6325 peak 15005 weight  1.00000E+00 volume  2.46883E+06 ppm1      2.868 ppm2      2.390

ASSI {120}   (( resid 75   and name  HA2 ))   (( resid 76   and name  HG  )) 2.986 1.286 2.386 peak 13806 weight  1.00000E+00 volume  3.74165E+05 ppm1      1.640 ppm2      3.641 !1

ASSI {121}   (  resid 79   and name  HG# )   (( resid 79   and name  HE  )) 2.95 1.15 1.15 peak 15404 weight  1.00000E+00 volume  3.90623E+05 ppm1      1.617 ppm2      7.353

ASSI {122}   (  resid 84   and name  HG# )   (  resid 84   and name  HD# ) 2.7 1.0 1.81 peak 13012 weight  1.00000E+00 volume  8.63395E+05 ppm1      1.320 ppm2      2.367 !1

ASSI {123}   (( resid 88   and name  HB2 ))   (( resid 89   and name  HB2 )) 2.981 1.281 3.491 peak 15056 weight  1.00000E+00 volume  3.47229E+05 ppm1      2.272 ppm2      1.499 !2

ASSI {124}   (  resid 88   and name  HD1#)   (  resid 90   and name  HB# ) 3.553 1.853 3.203 peak 20408 weight  1.00000E+00 volume  2.53735E+05 ppm1      3.887 ppm2      0.715 !2

ASSI {125}   (  resid 89   and name  HD# )   (( resid 89   and name  HG1 )) 2.313 0.513 0.513 peak 17581 weight  1.00000E+00 volume  3.84920E+06 ppm1      1.902 ppm2      3.638

ASSI {126}   (( resid 91   and name  HA2 ))   (( resid 93   and name  HB1 )) 3.231 1.531 4.67 peak 20113 weight  1.00000E+00 volume  1.84658E+05 ppm1      4.169 ppm2      1.940 !3

ASSI {127}   (( resid 95   and name  HB2 ))   (( resid 92   and name  HA1 )) 3.034 1.334 4.774 peak 15517 weight  1.00000E+00 volume  2.66187E+05 ppm1      2.079 ppm2      3.855 !2

ASSI {128}   (( resid 95   and name  HB1 ))   (( resid 92   and name  HA1 )) 3.117 1.417 3.487 peak 15518 weight  1.00000E+00 volume  2.53215E+05 ppm1      1.552 ppm2      3.856 !1

ASSI {129}   (  resid 94   and name  HD# )   (( resid 95   and name  HB2 )) 3.051 1.351 3.051 peak 15537 weight  1.00000E+00 volume  5.88583E+05 ppm1      2.079 ppm2      6.618 !2

ASSI {130}   (( resid 95   and name  HD1 ))   (( resid 96   and name  HB  )) 3.42 1.72 5.1 peak 10752 weight  1.00000E+00 volume  1.28064E+05 ppm1      1.684 ppm2      0.077 !2

ASSI {131}   (( resid 95   and name  HD1 ))   (  resid 96   and name  HG2#) 4.088 2.388 2.948 peak 10759 weight  1.00000E+00 volume  9.39413E+04 ppm1      1.687 ppm2     -0.411 !1

ASSI {132}   (( resid 95   and name  HD2 ))   (  resid 96   and name  HG2#) 4.179 2.379 2.379 peak 12696 weight  1.00000E+00 volume  7.68266E+04 ppm1      1.530 ppm2     -0.462

ASSI {133}   (( resid 96   and name  HG11))   (( resid 96   and name  HB  )) 2.655 0.855 0.855 peak 11442 weight  1.00000E+00 volume  1.11051E+06 ppm1      0.156 ppm2      0.076

ASSI {134}   (( resid 96   and name  HG11))   (( resid 98   and name  HG11)) 3.026 1.226 1.226 peak 11445 weight  1.00000E+00 volume  3.24224E+05 ppm1      0.156 ppm2      0.700

ASSI {135}   (  resid 98   and name  HG2#)   (( resid 96   and name  HB  )) 3.668 1.968 3.419 peak 17653 weight  1.00000E+00 volume  1.99887E+05 ppm1      0.042 ppm2      0.380 !2

ASSI {136}   (( resid 98   and name  HG11))   (( resid 96   and name  HB  )) 3.064 1.364 2.424 peak 17655 weight  1.00000E+00 volume  2.95608E+05 ppm1      0.044 ppm2      0.709 !1

ASSI {137}   (( resid 98   and name  HG11))   (  resid 96   and name  HG2#) 3.024 1.224 1.224 peak 18265 weight  1.00000E+00 volume  1.01974E+06 ppm1     -0.442 ppm2      0.699

ASSI {138}   (( resid 98   and name  HG11))   (( resid 98   and name  HG12)) 2.521 0.721 0.721 peak 13999 weight  1.00000E+00 volume  1.58141E+06 ppm1      0.716 ppm2      1.363

ASSI {139}   (  resid 98   and name  HG2#)   (  resid 98   and name  HD1#) 2.849 1.049 1.049 peak 18093 weight  1.00000E+00 volume  4.94741E+06 ppm1      0.298 ppm2      0.429

ASSI {140}   (( resid 98   and name  HG11))   (  resid 98   and name  HG2#) 2.712 0.9115 0.9115 peak 20530 weight  1.00000E+00 volume  2.73018E+06 ppm1      0.415 ppm2      0.693

ASSI {141}   (( resid 100  and name  HG2 ))   (  resid 101  and name  HE# ) 2.838 1.038 1.038 peak 14852 weight  1.00000E+00 volume  5.71292E+05 ppm1      2.354 ppm2      2.883

ASSI {142}   (( resid 100  and name  HG1 ))   (( resid 100  and name  HG2 )) 2.135 0.335 0.335 peak 14853 weight  1.00000E+00 volume  8.68616E+06 ppm1      2.347 ppm2      2.668

ASSI {143}   (( resid 100  and name  HG2 ))   (( resid 128  and name  HD2 )) 3.111 1.411 4.631 peak 14864 weight  1.00000E+00 volume  2.56818E+05 ppm1      2.342 ppm2      7.236 !3

ASSI {144}   (( resid 100  and name  HG1 ))   (( resid 101  and name  HB2 )) 3.344 1.644 3.574 peak 17266 weight  1.00000E+00 volume  1.46973E+05 ppm1      1.488 ppm2      2.718 !2

ASSI {145}   (( resid 128  and name  HB2 ))   (( resid 100  and name  HB1 )) 3.272 1.572 3.202 peak 17395 weight  1.00000E+00 volume  1.66264E+05 ppm1      2.305 ppm2      3.171 !2

ASSI {146}   (( resid 100  and name  HG1 ))   (  resid 125  and name  HD# ) 2.824 1.124 3.224 peak 19118 weight  1.00000E+00 volume  4.97313E+05 ppm1      2.693 ppm2      3.210 !2

ASSI {147}   (( resid 101  and name  HG2 ))   (( resid 128  and name  HB2 )) 3.327 1.627 3.566 peak 12350 weight  1.00000E+00 volume  1.53055E+05 ppm1      1.293 ppm2      3.116 !2

ASSI {148}   (( resid 101  and name  HG2 ))   (( resid 104  and name  HB1 )) 3.182 1.482 7.022 peak 13179 weight  1.00000E+00 volume  2.08875E+05 ppm1      2.947 ppm2      1.268 !2

ASSI {149}   (( resid 101  and name  HG1 ))   (( resid 105  and name  HB1 )) 2.991 1.291 2.511 peak 13263 weight  1.00000E+00 volume  3.53683E+05 ppm1      3.782 ppm2      1.160 !2

ASSI {150}   (( resid 101  and name  HG1 ))   (( resid 105  and name  HB2 )) 3.028 1.328 1.898 peak 13264 weight  1.00000E+00 volume  3.26654E+05 ppm1      3.743 ppm2      1.156 !1

ASSI {151}   (  resid 101  and name  HE# )   (( resid 107  and name  HB1 )) 3.349 1.649 3.469 peak 16334 weight  1.00000E+00 volume  1.41810E+05 ppm1      1.856 ppm2      2.886 !3

ASSI {152}   (( resid 101  and name  HB1 ))   (( resid 128  and name  HB2 )) 3.224 1.524 1.935 peak 17269 weight  1.00000E+00 volume  1.83853E+05 ppm1      1.788 ppm2      3.127 !1

ASSI {153}   (( resid 101  and name  HB1 ))   (( resid 103  and name  HB1 )) 3.064 1.364 3.294 peak 19615 weight  1.00000E+00 volume  2.81109E+05 ppm1      2.594 ppm2      1.759 !1

ASSI {154}   (( resid 102  and name  HA2 ))   (( resid 157  and name  HB1 )) 3.362 1.662 4.192 peak 12970 weight  1.00000E+00 volume  1.45312E+05 ppm1      3.184 ppm2      3.807 !2

ASSI {155}   (( resid 102  and name  HA1 ))   (  resid 127  and name  HG2#) 3.151 1.451 3.94 peak 14981 weight  1.00000E+00 volume  6.72373E+05 ppm1      3.844 ppm2      0.976 !2

ASSI {156}   (( resid 102  and name  HA1 ))   (  resid 104  and name  HD# ) 3.109 1.409 4.579 peak 14995 weight  1.00000E+00 volume  4.89639E+05 ppm1      3.848 ppm2      6.620 !3

ASSI {157}   (( resid 102  and name  HA1 ))   (( resid 160  and name  HD1 )) 3.205 1.405 1.405 peak 18669 weight  1.00000E+00 volume  1.98958E+05 ppm1      3.417 ppm2      3.876

ASSI {158}   (( resid 103  and name  HB2 ))   (( resid 105  and name  HB1 )) 3.059 1.359 3.879 peak 13245 weight  1.00000E+00 volume  2.89930E+05 ppm1      3.780 ppm2      2.408 !3

ASSI {159}   (  resid 108  and name  HB# )   (( resid 104  and name  HB1 )) 3.083 1.383 3.834 peak 13519 weight  1.00000E+00 volume  2.67649E+05 ppm1      1.525 ppm2      2.923 !3

ASSI {160}   (( resid 104  and name  HZ  ))   (  resid 158  and name  HD# ) 2.614 0.914 3.184 peak 14893 weight  1.00000E+00 volume  1.11175E+06 ppm1      3.136 ppm2      6.859 !2

ASSI {161}   (( resid 130  and name  HB1 ))   (  resid 104  and name  HE# ) 3.476 1.776 2.246 peak 19918 weight  1.00000E+00 volume  1.99434E+05 ppm1      2.813 ppm2      7.202 !1

ASSI {162}   (( resid 97   and name  HB1 ))   (  resid 104  and name  HE# ) 3.218 1.518 3.668 peak 21513 weight  1.00000E+00 volume  3.63487E+05 ppm1      1.508 ppm2      7.185 !2

ASSI {163}   (  resid 133  and name  HD# )   (  resid 104  and name  HE# ) 4.018 2.318 3.007 peak 22513 weight  1.00000E+00 volume  2.10594E+05 ppm1      0.751 ppm2      7.186 !1

ASSI {164}   (  resid 108  and name  HB# )   (( resid 106  and name  HA2 )) 3.361 1.661 3.871 peak 13522 weight  1.00000E+00 volume  1.37299E+05 ppm1      1.515 ppm2      4.130 !3

ASSI {165}   (( resid 106  and name  HA2 ))   (( resid 107  and name  HB1 )) 2.939 1.239 2.619 peak 16337 weight  1.00000E+00 volume  4.32635E+05 ppm1      1.853 ppm2      4.073 !2

ASSI {166}   (( resid 122  and name  HB1 ))   (( resid 107  and name  HG2 )) 2.997 1.297 2.987 peak 15768 weight  1.00000E+00 volume  3.12929E+05 ppm1      1.837 ppm2      2.781 !2

ASSI {167}   (( resid 107  and name  HG2 ))   (  resid 98   and name  HD1#) 3.369 1.669 4.099 peak 18102 weight  1.00000E+00 volume  4.31179E+05 ppm1      0.292 ppm2      1.830 !2

ASSI {168}   (  resid 108  and name  HE# )   (( resid 97   and name  HB1 )) 2.913 1.213 1.674 peak 12891 weight  1.00000E+00 volume  1.28837E+06 ppm1      1.509 ppm2      1.752 !1

ASSI {169}   (  resid 108  and name  HB# )   (  resid 98   and name  HG2#) 3.854 2.154 3.504 peak 13517 weight  1.00000E+00 volume  1.31812E+05 ppm1      1.528 ppm2      0.442 !2

ASSI {170}   (  resid 108  and name  HE# )   (( resid 97   and name  HG2 )) 2.665 0.965 1.575 peak 15882 weight  1.00000E+00 volume  3.40046E+06 ppm1      1.785 ppm2      2.130 !1

ASSI {171}   (( resid 122  and name  HB2 ))   (( resid 109  and name  HB2 )) 3.189 1.489 2.149 peak 14378 weight  1.00000E+00 volume  2.25768E+05 ppm1      1.715 ppm2      2.399 !1

ASSI {172}   (( resid 109  and name  HB1 ))   (( resid 110  and name  HB2 )) 3.232 1.532 3.172 peak 20005 weight  1.00000E+00 volume  1.85616E+05 ppm1      2.596 ppm2      1.905 !2

ASSI {173}   (( resid 110  and name  HG1 ))   (  resid 96   and name  HG2#) 3.902 2.202 2.872 peak 19072 weight  1.00000E+00 volume  1.38451E+05 ppm1      2.029 ppm2     -0.462 !1

ASSI {174}   (( resid 111  and name  HB  ))   (  resid 96   and name  HG2#) 3.569 1.769 1.769 peak 18278 weight  1.00000E+00 volume  2.68060E+05 ppm1     -0.440 ppm2      4.371

ASSI {175}   (  resid 111  and name  HG2#)   (( resid 98   and name  HG11)) 3.373 1.573 1.573 peak 21000 weight  1.00000E+00 volume  3.87210E+05 ppm1      1.467 ppm2      0.698

ASSI {176}   (  resid 111  and name  HG2#)   (  resid 173  and name  HE# ) 2.802 1.002 1.002 peak 22884 weight  1.00000E+00 volume  4.01829E+06 ppm1      1.474 ppm2      7.234

ASSI {177}   (  resid 112  and name  HG2#)   (  resid 173  and name  HE# ) 4.274 2.574 3.154 peak 12993 weight  1.00000E+00 volume  1.42568E+05 ppm1      1.483 ppm2      7.247 !1

ASSI {178}   (( resid 112  and name  HB  ))   (( resid 93   and name  HB1 )) 3.357 1.657 3.987 peak 20629 weight  1.00000E+00 volume  1.40897E+05 ppm1      4.957 ppm2      1.982 !3

ASSI {179}   (( resid 95   and name  HD1 ))   (( resid 113  and name  HG2 )) 2.896 1.196 4.745 peak 14848 weight  1.00000E+00 volume  4.83265E+05 ppm1      2.460 ppm2      1.724 !3

ASSI {180}   (( resid 113  and name  HG2 ))   (  resid 173  and name  HE# ) 3.745 2.045 3.065 peak 14865 weight  1.00000E+00 volume  1.27609E+05 ppm1      2.449 ppm2      7.239 !1

ASSI {181}   (( resid 116  and name  HD2 ))   (( resid 114  and name  HB1 )) 2.849 1.149 4.539 peak 15348 weight  1.00000E+00 volume  5.64350E+05 ppm1      3.472 ppm2      3.340 !3

ASSI {182}   (( resid 115  and name  HB2 ))   (( resid 121  and name  HG2 )) 3.028 1.328 2.268 peak 19455 weight  1.00000E+00 volume  3.00966E+05 ppm1      1.035 ppm2      1.213 !2

ASSI {183}   (( resid 115  and name  HB1 ))   (( resid 116  and name  HG2 )) 2.691 0.991 3.771 peak 19464 weight  1.00000E+00 volume  9.16932E+05 ppm1      2.342 ppm2      2.042 !2

ASSI {184}   (( resid 115  and name  HB1 ))   (  resid 173  and name  HE# ) 3.149 1.349 1.349 peak 19486 weight  1.00000E+00 volume  4.68749E+05 ppm1      2.353 ppm2      7.244

ASSI {185}   (( resid 115  and name  HB2 ))   (  resid 173  and name  HE# ) 3.088 1.288 1.288 peak 22612 weight  1.00000E+00 volume  5.35968E+05 ppm1      1.038 ppm2      7.234

ASSI {186}   (( resid 116  and name  HG2 ))   (( resid 121  and name  HG2 )) 2.73 1.03 2.8 peak 13146 weight  1.00000E+00 volume  8.33872E+05 ppm1      1.169 ppm2      2.049 !2

ASSI {187}   (( resid 121  and name  HB2 ))   (( resid 116  and name  HG2 )) 2.642 0.942 4.842 peak 20844 weight  1.00000E+00 volume  1.09486E+06 ppm1      0.885 ppm2      2.044 !4

ASSI {188}   (( resid 121  and name  HB1 ))   (( resid 116  and name  HG2 )) 2.573 0.873 3.033 peak 20845 weight  1.00000E+00 volume  1.32729E+06 ppm1      1.531 ppm2      2.046 !3

ASSI {189}   (( resid 117  and name  HB2 ))   (( resid 120  and name  HG2 )) 2.883 1.183 2.373 peak 10771 weight  1.00000E+00 volume  5.19325E+05 ppm1      2.257 ppm2      3.519 !1

ASSI {190}   (  resid 169  and name  HB# )   (  resid 118  and name  HD1#) 3.865 2.165 4.205 peak 12714 weight  1.00000E+00 volume  3.82681E+05 ppm1      1.452 ppm2      0.666 !2

ASSI {191}   (  resid 118  and name  HD1#)   (( resid 121  and name  HG1 )) 3.434 1.734 2.495 peak 13141 weight  1.00000E+00 volume  3.16017E+05 ppm1      1.539 ppm2      0.677 !1

ASSI {192}   (  resid 118  and name  HD1#)   (( resid 121  and name  HG2 )) 3.738 2.038 2.458 peak 13142 weight  1.00000E+00 volume  1.81625E+05 ppm1      1.167 ppm2      0.668 !1

ASSI {193}   (  resid 122  and name  HD# )   (( resid 118  and name  HG12)) 3.521 1.721 1.721 peak 13778 weight  1.00000E+00 volume  1.75901E+05 ppm1      1.533 ppm2      6.596

ASSI {194}   (( resid 118  and name  HG11))   (  resid 173  and name  HE# ) 3.109 1.308 1.308 peak 13781 weight  1.00000E+00 volume  5.15961E+05 ppm1      1.048 ppm2      7.247

ASSI {195}   (( resid 118  and name  HG12))   (  resid 173  and name  HE# ) 3.312 1.612 2.422 peak 13782 weight  1.00000E+00 volume  2.97572E+05 ppm1      1.530 ppm2      7.242 !1

ASSI {196}   (( resid 118  and name  HB  ))   (  resid 127  and name  HG2#) 2.827 1.127 4.017 peak 14441 weight  1.00000E+00 volume  1.73043E+06 ppm1      1.794 ppm2      0.983 !3

ASSI {197}   (( resid 118  and name  HB  ))   (( resid 173  and name  HB2 )) 3.536 1.836 4.626 peak 14452 weight  1.00000E+00 volume  9.04024E+04 ppm1      1.791 ppm2      3.779 !2

ASSI {198}   (( resid 118  and name  HB  ))   (( resid 171  and name  HE22)) 3.133 1.433 2.463 peak 14461 weight  1.00000E+00 volume  2.43931E+05 ppm1      1.788 ppm2      7.132 !2

ASSI {199}   (( resid 96   and name  HG11))   (  resid 118  and name  HD1#) 3.588 1.888 3.368 peak 17896 weight  1.00000E+00 volume  2.43667E+05 ppm1      0.642 ppm2      0.133 !2

ASSI {200}   (  resid 118  and name  HD1#)   (( resid 173  and name  HB2 )) 3.688 1.988 2.408 peak 17907 weight  1.00000E+00 volume  2.12032E+05 ppm1      0.637 ppm2      3.777 !1

ASSI {201}   (  resid 118  and name  HD1#)   (  resid 173  and name  HE# ) 3.15 1.35 1.35 peak 17919 weight  1.00000E+00 volume  1.48854E+06 ppm1      0.639 ppm2      7.239

ASSI {202}   (( resid 119  and name  HB1 ))   (  resid 125  and name  HD# ) 2.478 0.778 5.578 peak 16409 weight  1.00000E+00 volume  1.95510E+06 ppm1      3.230 ppm2      2.081 !3

ASSI {203}   (( resid 119  and name  HG2 ))   (( resid 123  and name  HE1 )) 3.147 1.447 3.407 peak 17890 weight  1.00000E+00 volume  2.17553E+05 ppm1      2.651 ppm2      8.571 !2

ASSI {204}   (  resid 120  and name  HG# )   (( resid 121  and name  HG2 )) 3.24 1.54 1.981 peak 13148 weight  1.00000E+00 volume  1.91942E+05 ppm1      1.171 ppm2      2.237 !1

ASSI {205}   (( resid 121  and name  HG2 ))   (( resid 120  and name  HB1 )) 2.978 1.278 4.498 peak 15678 weight  1.00000E+00 volume  3.63538E+05 ppm1      1.958 ppm2      1.206 !3

ASSI {206}   (( resid 121  and name  HG2 ))   (  resid 98   and name  HD1#) 3.352 1.652 3.072 peak 18098 weight  1.00000E+00 volume  4.31766E+05 ppm1      0.297 ppm2      1.209 !2

ASSI {207}   (( resid 122  and name  HB1 ))   (  resid 125  and name  HG# ) 2.793 1.093 4.933 peak 16705 weight  1.00000E+00 volume  6.32453E+05 ppm1      1.704 ppm2      2.758 !1

ASSI {208}   (( resid 122  and name  HB1 ))   (( resid 124  and name  HG2 )) 2.656 0.956 1.656 peak 20074 weight  1.00000E+00 volume  1.01815E+06 ppm1      2.552 ppm2      2.762 !1

ASSI {209}   (( resid 122  and name  HB1 ))   (( resid 124  and name  HB1 )) 3.055 1.355 2.945 peak 20727 weight  1.00000E+00 volume  2.93109E+05 ppm1      2.787 ppm2      2.173 !2

ASSI {210}   (( resid 122  and name  HB1 ))   (  resid 122  and name  HD# ) 2.812 1.112 1.992 peak 20752 weight  1.00000E+00 volume  1.22099E+06 ppm1      2.780 ppm2      6.595 !1

ASSI {211}   (( resid 98   and name  HG12))   (( resid 124  and name  HG2 )) 3.079 1.379 5.249 peak 20064 weight  1.00000E+00 volume  2.86130E+05 ppm1      2.565 ppm2      1.344 !2

ASSI {212}   (  resid 126  and name  HG# )   (( resid 128  and name  HD2 )) 2.748 1.048 3.719 peak 10782 weight  1.00000E+00 volume  8.03408E+05 ppm1      2.214 ppm2      7.217 !3

ASSI {213}   (  resid 169  and name  HB# )   (( resid 126  and name  HB1 )) 3.357 1.558 1.558 peak 12718 weight  1.00000E+00 volume  4.76523E+05 ppm1      1.450 ppm2      1.966

ASSI {214}   (  resid 126  and name  HG# )   (( resid 168  and name  HG1 )) 2.783 1.083 2.933 peak 14469 weight  1.00000E+00 volume  6.64776E+05 ppm1      1.653 ppm2      2.221 !2

ASSI {215}   (  resid 126  and name  HG# )   (  resid 98   and name  HG2#) 3.752 2.052 3.892 peak 17513 weight  1.00000E+00 volume  1.64933E+05 ppm1      2.200 ppm2      0.387 !2

ASSI {216}   (( resid 126  and name  HB2 ))   (( resid 128  and name  HD2 )) 2.646 0.946 2.386 peak 19726 weight  1.00000E+00 volume  1.06006E+06 ppm1      2.106 ppm2      7.235 !2

ASSI {217}   (( resid 160  and name  HD1 ))   (  resid 127  and name  HG2#) 3.407 1.707 3.617 peak 10904 weight  1.00000E+00 volume  3.79214E+05 ppm1      1.009 ppm2      3.441 !3

ASSI {218}   (  resid 127  and name  HG2#)   (( resid 129  and name  HB2 )) 3.208 1.508 2.388 peak 10908 weight  1.00000E+00 volume  6.05140E+05 ppm1      1.009 ppm2      4.258 !1

ASSI {219}   (  resid 127  and name  HG2#)   (( resid 139  and name  HZ  )) 3.102 1.302 1.302 peak 10918 weight  1.00000E+00 volume  8.11209E+05 ppm1      1.001 ppm2      6.280

ASSI {220}   (( resid 127  and name  HB  ))   (( resid 170  and name  HB  )) 2.442 0.742 2.022 peak 17713 weight  1.00000E+00 volume  2.15308E+06 ppm1      1.486 ppm2      1.590 !2

ASSI {221}   (( resid 127  and name  HB  ))   (  resid 139  and name  HD# ) 3.808 2.008 2.008 peak 17726 weight  1.00000E+00 volume  9.60025E+04 ppm1      1.503 ppm2      6.163

ASSI {222}   (( resid 168  and name  HG2 ))   (( resid 128  and name  HB2 )) 2.939 1.239 3.999 peak 14486 weight  1.00000E+00 volume  4.04909E+05 ppm1      1.699 ppm2      3.176 !3

ASSI {223}   (( resid 168  and name  HB2 ))   (( resid 128  and name  HD2 )) 2.913 1.114 1.114 peak 18503 weight  1.00000E+00 volume  4.46783E+05 ppm1      1.673 ppm2      7.224

ASSI {224}   (( resid 130  and name  HB1 ))   (( resid 98   and name  HG11)) 3.394 1.694 3.194 peak 19901 weight  1.00000E+00 volume  1.09004E+05 ppm1      2.819 ppm2      0.709 !2

ASSI {225}   (( resid 157  and name  HB1 ))   (( resid 130  and name  HB1 )) 3.095 1.395 4.195 peak 22659 weight  1.00000E+00 volume  2.82567E+05 ppm1      2.819 ppm2      3.222 !3

ASSI {226}   (  resid 98   and name  HG2#)   (  resid 131  and name  HD# ) 3.865 2.165 4.415 peak 10749 weight  1.00000E+00 volume  1.49507E+05 ppm1      1.686 ppm2      0.384 !2

ASSI {227}   (  resid 131  and name  HG# )   (( resid 131  and name  HB2 )) 2.726 0.926 0.926 peak 19022 weight  1.00000E+00 volume  7.72090E+05 ppm1      1.533 ppm2      1.855

ASSI {228}   (  resid 133  and name  HD# )   (  resid 96   and name  HG2#) 4.006 2.206 2.206 peak 18822 weight  1.00000E+00 volume  3.43342E+05 ppm1      0.751 ppm2     -0.465

ASSI {229}   (( resid 134  and name  HB1 ))   (( resid 94   and name  HB2 )) 3.093 1.393 2.232 peak 13036 weight  1.00000E+00 volume  2.74512E+05 ppm1      1.898 ppm2      2.715 !1

ASSI {230}   (( resid 134  and name  HB2 ))   (( resid 137  and name  HB1 )) 2.996 1.296 4.616 peak 13038 weight  1.00000E+00 volume  3.52502E+05 ppm1      1.601 ppm2      3.029 !3

ASSI {231}   (( resid 94   and name  HB2 ))   (( resid 134  and name  HG1 )) 3.14 1.44 3.07 peak 14828 weight  1.00000E+00 volume  2.20994E+05 ppm1      2.178 ppm2      2.718 !2

ASSI {232}   (( resid 94   and name  HB2 ))   (( resid 134  and name  HG2 )) 3.15 1.45 2.86 peak 14829 weight  1.00000E+00 volume  2.10578E+05 ppm1      2.145 ppm2      2.718 !2

ASSI {233}   (( resid 94   and name  HB1 ))   (  resid 134  and name  HG# ) 2.965 1.265 2.865 peak 17784 weight  1.00000E+00 volume  3.80869E+05 ppm1      2.774 ppm2      2.158 !2

ASSI {234}   (( resid 94   and name  HB2 ))   (  resid 134  and name  HG# ) 3.099 1.399 2.209 peak 17785 weight  1.00000E+00 volume  2.55387E+05 ppm1      2.724 ppm2      2.160 !1

ASSI {235}   (( resid 176  and name  HG11))   (( resid 135  and name  HA2 )) 3.353 1.653 5.713 peak 11727 weight  1.00000E+00 volume  1.45384E+05 ppm1      0.884 ppm2      3.847 !2

ASSI {236}   (( resid 135  and name  HA1 ))   (( resid 89   and name  HB2 )) 3.13 1.33 1.33 peak 15062 weight  1.00000E+00 volume  2.47826E+05 ppm1      2.273 ppm2      3.222

ASSI {237}   (( resid 136  and name  HB  ))   (( resid 135  and name  HA2 )) 3.099 1.399 3.189 peak 16980 weight  1.00000E+00 volume  2.40450E+05 ppm1      1.806 ppm2      3.857 !2

ASSI {238}   (( resid 89   and name  HD1 ))   (( resid 135  and name  HA1 )) 3.052 1.352 1.832 peak 20028 weight  1.00000E+00 volume  2.96530E+05 ppm1      3.627 ppm2      3.254 !1

ASSI {239}   (( resid 61   and name  HG11))   (  resid 136  and name  HG1#) 3.201 1.501 2.061 peak 11915 weight  1.00000E+00 volume  6.51946E+05 ppm1      1.163 ppm2      1.006 !1

ASSI {240}   (( resid 139  and name  HB2 ))   (  resid 136  and name  HG1#) 3.127 1.427 4.736 peak 12068 weight  1.00000E+00 volume  7.71550E+05 ppm1      0.982 ppm2      3.000 !1

ASSI {241}   (( resid 151  and name  HB2 ))   (  resid 136  and name  HG1#) 3.635 1.935 3.535 peak 12476 weight  1.00000E+00 volume  2.21288E+05 ppm1      1.893 ppm2      0.958 !3

ASSI {242}   (  resid 136  and name  HG1#)   (( resid 89   and name  HB1 )) 3.444 1.744 3.684 peak 13214 weight  1.00000E+00 volume  3.19730E+05 ppm1      1.999 ppm2      1.008 !2

ASSI {243}   (  resid 177  and name  HG# )   (  resid 136  and name  HG1#) 3.92 2.22 3.5 peak 15711 weight  1.00000E+00 volume  4.29575E+05 ppm1      0.576 ppm2      1.007 !2

ASSI {244}   (( resid 89   and name  HG1 ))   (  resid 136  and name  HG1#) 3.137 1.437 2.337 peak 17579 weight  1.00000E+00 volume  7.21550E+05 ppm1      1.904 ppm2      0.954 !2

ASSI {245}   (( resid 137  and name  HB2 ))   (  resid 139  and name  HE# ) 3.54 1.84 3.48 peak 12306 weight  1.00000E+00 volume  1.76677E+05 ppm1      2.593 ppm2      5.430 !2

ASSI {246}   (( resid 137  and name  HB1 ))   (  resid 138  and name  HD1#) 3.941 2.241 3.711 peak 20900 weight  1.00000E+00 volume  1.25389E+05 ppm1      0.791 ppm2      3.090 !2

ASSI {247}   (( resid 137  and name  HE3 ))   (( resid 176  and name  HB  )) 2.922 1.222 6.032 peak 22733 weight  1.00000E+00 volume  4.52528E+05 ppm1      1.634 ppm2      7.282 !3

ASSI {248}   (  resid 138  and name  HG2#)   (( resid 176  and name  HB  )) 3.272 1.572 4.153 peak 20270 weight  1.00000E+00 volume  5.07230E+05 ppm1      1.636 ppm2      0.297 !2

ASSI {249}   (  resid 170  and name  HG1#)   (  resid 139  and name  HE# ) 3.322 1.522 1.522 peak 11029 weight  1.00000E+00 volume  9.37366E+05 ppm1      0.476 ppm2      5.425

ASSI {250}   (  resid 96   and name  HD1#)   (( resid 139  and name  HB1 )) 3.92 2.22 3.18 peak 15972 weight  1.00000E+00 volume  1.23029E+05 ppm1      3.054 ppm2     -0.523 !1

ASSI {251}   (( resid 173  and name  HB1 ))   (  resid 139  and name  HD# ) 3.024 1.224 1.224 peak 17981 weight  1.00000E+00 volume  6.65698E+05 ppm1      3.513 ppm2      6.165

ASSI {252}   (( resid 143  and name  HB2 ))   (( resid 140  and name  HB1 )) 3.073 1.373 4.313 peak 13380 weight  1.00000E+00 volume  2.90893E+05 ppm1      2.446 ppm2      3.344 !2

ASSI {253}   (( resid 145  and name  HB1 ))   (( resid 140  and name  HB2 )) 3.216 1.516 1.936 peak 14513 weight  1.00000E+00 volume  1.82013E+05 ppm1      3.593 ppm2      2.918 !1

ASSI {254}   (  resid 145  and name  HD# )   (( resid 140  and name  HB1 )) 3.034 1.334 2.704 peak 14533 weight  1.00000E+00 volume  6.07333E+05 ppm1      3.313 ppm2      6.742 !2

ASSI {255}   (  resid 145  and name  HD# )   (( resid 140  and name  HB2 )) 3.274 1.474 1.474 peak 14534 weight  1.00000E+00 volume  3.36728E+05 ppm1      3.593 ppm2      6.742

ASSI {256}   (( resid 149  and name  HG2 ))   (  resid 140  and name  HE# ) 3.429 1.629 1.629 peak 21407 weight  1.00000E+00 volume  2.20231E+05 ppm1      2.486 ppm2      6.641

ASSI {257}   (  resid 142  and name  HD2#)   (( resid 146  and name  HD1 )) 3.376 1.676 3.386 peak 11750 weight  1.00000E+00 volume  4.05099E+05 ppm1      0.892 ppm2      3.217 !3

ASSI {258}   (( resid 145  and name  HB1 ))   (( resid 143  and name  HD2 )) 3.08 1.38 6.68 peak 16488 weight  1.00000E+00 volume  2.55551E+05 ppm1      3.611 ppm2      2.909 !2

ASSI {259}   (( resid 147  and name  HA2 ))   (( resid 143  and name  HD2 )) 3.05 1.35 4.88 peak 16517 weight  1.00000E+00 volume  3.16948E+05 ppm1      3.614 ppm2      4.344 !3

ASSI {260}   (( resid 146  and name  HB2 ))   (  resid 143  and name  HD# ) 3.126 1.426 1.836 peak 20373 weight  1.00000E+00 volume  2.21865E+05 ppm1      1.915 ppm2      3.640 !1

ASSI {261}   (  resid 146  and name  HG# )   (( resid 144  and name  HD21)) 3.019 1.319 3.129 peak 14648 weight  1.00000E+00 volume  3.09950E+05 ppm1      1.618 ppm2      7.356 !3

ASSI {262}   (( resid 144  and name  HB1 ))   (( resid 174  and name  HD1 )) 2.764 1.064 5.873 peak 16669 weight  1.00000E+00 volume  6.69728E+05 ppm1      2.713 ppm2      2.185 !3

ASSI {263}   (( resid 174  and name  HD1 ))   (( resid 145  and name  HB1 )) 3.118 1.318 1.318 peak 16740 weight  1.00000E+00 volume  2.61799E+05 ppm1      2.163 ppm2      2.911

ASSI {264}   (( resid 174  and name  HG2 ))   (( resid 145  and name  HB2 )) 2.763 1.063 1.812 peak 18792 weight  1.00000E+00 volume  6.87861E+05 ppm1      1.886 ppm2      1.253 !1

ASSI {265}   (  resid 146  and name  HG# )   (( resid 146  and name  HD1 )) 2.098 0.2975 0.2975 peak 14641 weight  1.00000E+00 volume  1.05519E+07 ppm1      1.614 ppm2      3.222

ASSI {266}   (( resid 146  and name  HB1 ))   (( resid 74   and name  HG1 )) 3.015 1.315 3.675 peak 20370 weight  1.00000E+00 volume  3.32894E+05 ppm1      1.596 ppm2      2.898 !1

ASSI {267}   (( resid 146  and name  HB2 ))   (( resid 146  and name  HD1 )) 2.871 1.071 1.071 peak 20371 weight  1.00000E+00 volume  4.93425E+05 ppm1      1.914 ppm2      3.207

ASSI {268}   (( resid 147  and name  HA2 ))   (( resid 146  and name  HB1 )) 3.41 1.71 2.221 peak 20375 weight  1.00000E+00 volume  1.17248E+05 ppm1      1.595 ppm2      4.280 !1

ASSI {269}   (( resid 147  and name  HA2 ))   (( resid 146  and name  HB2 )) 3.052 1.352 2.262 peak 20376 weight  1.00000E+00 volume  2.90457E+05 ppm1      1.910 ppm2      4.276 !1

ASSI {270}   (( resid 148  and name  HG2 ))   (  resid 58   and name  HD# ) 3.138 1.438 2.467 peak 17337 weight  1.00000E+00 volume  4.93913E+05 ppm1      1.813 ppm2      7.218 !2

ASSI {271}   (( resid 74   and name  HG1 ))   (( resid 149  and name  HE21)) 3.384 1.684 2.144 peak 15029 weight  1.00000E+00 volume  1.29628E+05 ppm1      2.872 ppm2      8.283 !1

ASSI {272}   (( resid 150  and name  HB2 ))   (( resid 164  and name  HA2 )) 2.972 1.272 5.932 peak 14231 weight  1.00000E+00 volume  4.05434E+05 ppm1      4.548 ppm2      3.562 !3

ASSI {273}   (( resid 167  and name  HB2 ))   (  resid 150  and name  HE# ) 3.526 1.826 3.146 peak 17493 weight  1.00000E+00 volume  1.85909E+05 ppm1      3.786 ppm2      6.727 !2

ASSI {274}   (  resid 165  and name  HB# )   (( resid 150  and name  HB2 )) 3.51 1.71 1.71 peak 19984 weight  1.00000E+00 volume  2.77510E+05 ppm1      0.817 ppm2      3.553

ASSI {275}   (( resid 157  and name  HB1 ))   (( resid 159  and name  HD2 )) 3.26 1.56 4.37 peak 13114 weight  1.00000E+00 volume  1.73037E+05 ppm1      1.575 ppm2      3.212 !2

ASSI {276}   (( resid 157  and name  HB2 ))   (( resid 160  and name  HG2 )) 2.89 1.19 6.99 peak 13413 weight  1.00000E+00 volume  4.59584E+05 ppm1      1.757 ppm2      2.759 !2

ASSI {277}   (( resid 157  and name  HB1 ))   (( resid 159  and name  HB2 )) 2.862 1.162 4.452 peak 16246 weight  1.00000E+00 volume  5.26833E+05 ppm1      1.942 ppm2      3.209 !3

ASSI {278}   (  resid 158  and name  HG# )   (  resid 158  and name  HD# ) 2.408 0.608 0.608 peak 14883 weight  1.00000E+00 volume  2.41361E+06 ppm1      3.131 ppm2      1.747

ASSI {279}   (  resid 158  and name  HD# )   (( resid 158  and name  HE  )) 2.613 0.813 0.813 peak 14895 weight  1.00000E+00 volume  1.17873E+06 ppm1      3.137 ppm2      7.514

ASSI {280}   (( resid 159  and name  HG2 ))   (( resid 158  and name  HB2 )) 2.746 1.046 3.356 peak 17136 weight  1.00000E+00 volume  7.22796E+05 ppm1      1.967 ppm2      1.309 !2

ASSI {281}   (( resid 159  and name  HG1 ))   (( resid 158  and name  HB1 )) 2.926 1.226 3.216 peak 17137 weight  1.00000E+00 volume  3.97071E+05 ppm1      1.630 ppm2      1.207 !3

ASSI {282}   (( resid 160  and name  HD2 ))   (( resid 158  and name  HB1 )) 3.161 1.461 6.221 peak 17145 weight  1.00000E+00 volume  2.15645E+05 ppm1      1.634 ppm2      4.072 !3

ASSI {283}   (( resid 168  and name  HD1 ))   (( resid 159  and name  HB1 )) 3.15 1.45 5.13 peak 16249 weight  1.00000E+00 volume  2.29582E+05 ppm1      1.569 ppm2      3.623 !3

ASSI {284}   (( resid 161  and name  HB  ))   (( resid 159  and name  HB2 )) 2.965 1.164 1.164 peak 16868 weight  1.00000E+00 volume  3.83412E+05 ppm1      1.661 ppm2      1.962

ASSI {285}   (( resid 159  and name  HB1 ))   (  resid 159  and name  HE# ) 2.922 1.222 1.702 peak 22059 weight  1.00000E+00 volume  4.37987E+05 ppm1      1.561 ppm2      2.881 !1

ASSI {286}   (( resid 162  and name  HB2 ))   (( resid 160  and name  HG1 )) 2.561 0.861 5.011 peak 13415 weight  1.00000E+00 volume  1.46205E+06 ppm1      1.494 ppm2      3.100 !2

ASSI {287}   (( resid 160  and name  HD2 ))   (( resid 162  and name  HB1 )) 3.418 1.718 4.328 peak 18863 weight  1.00000E+00 volume  1.15187E+05 ppm1      3.302 ppm2      4.101 !4

ASSI {288}   (( resid 160  and name  HD2 ))   (( resid 160  and name  HG2 )) 2.944 1.143 1.143 peak 19226 weight  1.00000E+00 volume  4.03244E+05 ppm1      1.746 ppm2      4.071

ASSI {289}   (( resid 160  and name  HD1 ))   (( resid 168  and name  HD2 )) 3.175 1.475 3.214 peak 21035 weight  1.00000E+00 volume  2.08680E+05 ppm1      3.710 ppm2      3.443 !2

ASSI {290}   (( resid 160  and name  HD1 ))   (( resid 168  and name  HD1 )) 3.016 1.316 1.786 peak 21036 weight  1.00000E+00 volume  3.07480E+05 ppm1      3.655 ppm2      3.442 !1

ASSI {291}   (( resid 164  and name  HA2 ))   (( resid 161  and name  HB  )) 3.347 1.647 2.447 peak 16873 weight  1.00000E+00 volume  1.29582E+05 ppm1      1.653 ppm2      4.543 !1

ASSI {292}   (  resid 161  and name  HD1#)   (( resid 162  and name  HB1 )) 3.568 1.868 2.278 peak 18855 weight  1.00000E+00 volume  2.42970E+05 ppm1      3.292 ppm2      0.764 !1
OR {292}   (( resid 162  and name  HB1 ))   (  resid 161  and name  HG2#)

ASSI {293}   (( resid 163  and name  HB1 ))   (( resid 163  and name  HZ3 )) 3.519 1.719 1.719 peak 17642 weight  1.00000E+00 volume  9.18444E+04 ppm1      2.503 ppm2      6.439

ASSI {294}   (( resid 168  and name  HD1 ))   (( resid 168  and name  HG2 )) 2.411 0.611 0.611 peak 14470 weight  1.00000E+00 volume  2.53593E+06 ppm1      1.698 ppm2      3.663

ASSI {295}   (( resid 168  and name  HD2 ))   (( resid 168  and name  HG1 )) 2.421 0.721 1.302 peak 14472 weight  1.00000E+00 volume  2.42139E+06 ppm1      1.654 ppm2      3.715 !1

ASSI {296}   (( resid 168  and name  HD1 ))   (( resid 168  and name  HG1 )) 2.403 0.6035 0.6035 peak 14473 weight  1.00000E+00 volume  2.57022E+06 ppm1      1.655 ppm2      3.663

ASSI {297}   (( resid 168  and name  HD2 ))   (( resid 168  and name  HG2 )) 2.421 0.6205 0.6205 peak 21724 weight  1.00000E+00 volume  2.43833E+06 ppm1      1.697 ppm2      3.716

ASSI {298}   (( resid 173  and name  HB1 ))   (( resid 173  and name  HB2 )) 2.764 0.9635 0.9635 peak 17966 weight  1.00000E+00 volume  7.36596E+05 ppm1      3.515 ppm2      3.770

ASSI {299}   (  resid 173  and name  HD# )   (( resid 173  and name  HB2 )) 3.465 1.664 1.664 peak 17984 weight  1.00000E+00 volume  2.07042E+05 ppm1      3.749 ppm2      6.963

ASSI {300}   (( resid 173  and name  HB2 ))   (  resid 98   and name  HD1#) 4.105 2.405 3.115 peak 18109 weight  1.00000E+00 volume  -8.48585E+04 ppm1      0.296 ppm2      3.713 !1

ASSI {301}   (  resid 98   and name  HD1#)   (  resid 173  and name  HE# ) 3.016 1.216 1.216 peak 18121 weight  1.00000E+00 volume  2.13480E+06 ppm1      0.296 ppm2      7.239

ASSI {302}   (( resid 174  and name  HB1 ))   (  resid 175  and name  HG# ) 3.293 1.593 3.013 peak 15558 weight  1.00000E+00 volume  1.55237E+05 ppm1      1.729 ppm2      0.523 !3

ASSI {303}   (( resid 88   and name  HB2 ))   (  resid 175  and name  HG# ) 3.235 1.535 5.805 peak 10820 weight  1.00000E+00 volume  1.89630E+05 ppm1      1.475 ppm2      0.523 !2

ASSI {304}   (  resid 176  and name  HD1#)   (( resid 175  and name  HB2 )) 3.513 1.813 3.253 peak 17598 weight  1.00000E+00 volume  2.91989E+05 ppm1      0.659 ppm2      0.137 !2

ASSI {305}   (  resid 177  and name  HG# )   (( resid 176  and name  HG12)) 3.398 1.698 2.158 peak 15735 weight  1.00000E+00 volume  3.63936E+05 ppm1      0.573 ppm2      1.412 !1

ASSI {306}   (  resid 61   and name  HG2#)   (( resid 178  and name  HG2 )) 3.66 1.96 4.26 peak 16148 weight  1.00000E+00 volume  1.99924E+05 ppm1      0.678 ppm2      2.240 !3

!ASSI {307}   (( resid 60   and name  HB2 ))   (( resid 73   and name  HD1 )) 3.045 1.345 5.024 peak 16475 weight  1.00000E+00 volume  3.07126E+05 ppm1      3.221 ppm2      6.053 !5

!ASSI {308}   (( resid 96   and name  HG12))   (( resid 133  and name  HB2 )) 2.973 1.273 7.673 peak 14367 weight  1.00000E+00 volume  4.05975E+05 ppm1      1.349 ppm2      0.935 !4

!ASSI {309}   (( resid 61   and name  HB  ))   (( resid 151  and name  HB2 )) 2.199 0.499 6.029 peak 19667 weight  1.00000E+00 volume  6.00399E+06 ppm1      2.068 ppm2      1.925 !4

!ASSI {310}   (( resid 75   and name  HA2 ))   (( resid 78   and name  HB2 )) 3.41 1.71 5.091 peak 20427 weight  1.00000E+00 volume  1.18936E+05 ppm1      3.137 ppm2      3.642 !4

!ASSI {311}   (( resid 10   and name  HB2 ))   (( resid 38   and name  HB1 )) 3.0 1.3 6.48 peak 12960 weight  1.00000E+00 volume  3.36444E+05 ppm1      3.182 ppm2      2.349 !2

!ASSI {312}   (( resid 73   and name  HZ3 ))   (  resid 76   and name  HD2#) 3.663 1.963 4.364 peak 15103 weight  1.00000E+00 volume  1.98993E+05 ppm1      0.603 ppm2      6.637 !3
!OR {312}   (( resid 73   and name  HH2 ))   (  resid 76   and name  HD2#)

!ASSI {313}   (( resid 12   and name  HG1 ))   (( resid 20   and name  HB1 )) 3.34 1.64 5.26 peak 19256 weight  1.00000E+00 volume  1.35731E+05 ppm1      2.797 ppm2      1.242 !4

!ASSI {314}   (( resid 75   and name  HA2 ))   (  resid 67   and name  HE# ) 3.319 1.619 6.419 peak 13565 weight  1.00000E+00 volume  2.69548E+05 ppm1      3.666 ppm2      6.876 !3

!ASSI {315}   (( resid 74   and name  HB2 ))   (( resid 70   and name  HB2 )) 3.067 1.367 5.667 peak 17668 weight  1.00000E+00 volume  3.02345E+05 ppm1      2.803 ppm2      2.166 !4

!ASSI {316}   (( resid 116  and name  HD2 ))   (( resid 173  and name  HB2 )) 3.046 1.346 6.506 peak 15372 weight  1.00000E+00 volume  3.39811E+05 ppm1      3.468 ppm2      3.771 !3

!ASSI {317}   (  resid 61   and name  HG2#)   (( resid 174  and name  HG2 )) 3.163 1.463 5.513 peak 12335 weight  1.00000E+00 volume  6.51955E+05 ppm1      1.289 ppm2      0.708 !3

!ASSI {318}   (( resid 12   and name  HG2 ))   (( resid 20   and name  HB1 )) 3.29 1.59 5.05 peak 19257 weight  1.00000E+00 volume  1.59565E+05 ppm1      2.743 ppm2      1.239 !5

!ASSI {319}   (( resid 157  and name  HB1 ))   (( resid 159  and name  HD1 )) 3.109 1.409 5.349 peak 13113 weight  1.00000E+00 volume  2.98919E+05 ppm1      1.611 ppm2      3.211 !5

!ASSI {320}   (( resid 137  and name  HB2 ))   (  resid 175  and name  HG# ) 3.488 1.788 6.078 peak 12290 weight  1.00000E+00 volume  8.84857E+04 ppm1      2.596 ppm2      0.522 !4

!ASSI {321}   (( resid 8    and name  HG12))   (( resid 23   and name  HB1 )) 3.567 1.867 4.787 peak 13478 weight  1.00000E+00 volume  9.45934E+04 ppm1      2.452 ppm2     -0.751 !3

!ASSI {322}   (( resid 91   and name  HA2 ))   (( resid 93   and name  HG1 )) 2.911 1.211 5.291 peak 17448 weight  1.00000E+00 volume  4.39169E+05 ppm1      2.284 ppm2      4.133 !3

!ASSI {323}   (( resid 102  and name  HA2 ))   (( resid 130  and name  HB1 )) 3.138 1.438 4.898 peak 19908 weight  1.00000E+00 volume  2.41101E+05 ppm1      2.823 ppm2      3.812 !3

!ASSI {324}   (( resid 133  and name  HB2 ))   (( resid 155  and name  HB2 )) 2.958 1.258 6.038 peak 21980 weight  1.00000E+00 volume  3.70004E+05 ppm1      1.951 ppm2      1.344 !3

!ASSI {325}   (( resid 138  and name  HG11))   (( resid 175  and name  HB2 )) 3.266 1.566 4.976 peak 21162 weight  1.00000E+00 volume  1.79580E+05 ppm1      1.482 ppm2      0.128 !3

!ASSI {326}   (( resid 60   and name  HB1 ))   (  resid 140  and name  HD# ) 3.281 1.581 6.521 peak 16478 weight  1.00000E+00 volume  3.37624E+05 ppm1      2.339 ppm2      7.104 !4

!ASSI {327}   (  resid 177  and name  HG# )   (  resid 90   and name  HB# ) 3.864 2.164 4.463 peak 20409 weight  1.00000E+00 volume  1.32308E+05 ppm1      3.886 ppm2      0.540 !3

!ASSI {328}   (( resid 178  and name  HB2 ))   (( resid 63   and name  HD1 )) 2.68 0.98 5.72 peak 18386 weight  1.00000E+00 volume  8.76918E+05 ppm1      3.661 ppm2      1.816 !3

!ASSI {329}   (( resid 18   and name  HA2 ))   (( resid 15   and name  HB1 )) 3.245 1.545 8.075 peak 17158 weight  1.00000E+00 volume  1.79908E+05 ppm1      4.503 ppm2      2.560 !4

!ASSI {330}   (( resid 178  and name  HB1 ))   (  resid 136  and name  HG1#) 3.258 1.558 5.138 peak 17138 weight  1.00000E+00 volume  4.90396E+05 ppm1      1.967 ppm2      1.001 !3

!ASSI {331}   (( resid 139  and name  HB2 ))   (( resid 174  and name  HB1 )) 2.486 0.786 8.226 peak 15571 weight  1.00000E+00 volume  1.82373E+06 ppm1      1.731 ppm2      2.994 !3

!ASSI {332}   (  resid 170  and name  HG1#)   (( resid 150  and name  HB1 )) 3.851 2.151 4.551 peak 20299 weight  1.00000E+00 volume  1.34186E+05 ppm1      2.524 ppm2      0.501 !3

!ASSI {333}   (  resid 5    and name  HA# )   (  resid 88   and name  HD2#) 3.729 2.029 4.419 peak 13973 weight  1.00000E+00 volume  1.87522E+05 ppm1      3.996 ppm2      0.818 !3

!ASSI {334}   (( resid 18   and name  HA2 ))   (( resid 17   and name  HE22)) 3.275 1.575 4.965 peak 17173 weight  1.00000E+00 volume  1.62150E+05 ppm1      4.505 ppm2      6.884 !3

!ASSI {335}   (( resid 60   and name  HB2 ))   (( resid 73   and name  HE1 )) 3.401 1.701 5.101 peak 16481 weight  1.00000E+00 volume  1.24982E+05 ppm1      3.221 ppm2      9.957 !3

!ASSI {336}   (( resid 69   and name  HB1 ))   (  resid 74   and name  HE# ) 3.051 1.351 6.692 peak 11276 weight  1.00000E+00 volume  8.53486E+05 ppm1      1.769 ppm2      2.404 !4

!ASSI {337}   (( resid 70   and name  HB2 ))   (( resid 76   and name  HB1 )) 3.112 1.412 5.112 peak 20330 weight  1.00000E+00 volume  2.75986E+05 ppm1      1.281 ppm2      2.174 !3

!ASSI {338}   (( resid 102  and name  HA1 ))   (( resid 162  and name  HB1 )) 2.663 0.963 6.423 peak 14972 weight  1.00000E+00 volume  9.46076E+05 ppm1      3.854 ppm2      3.270 !4

!ASSI {339}   (  resid 133  and name  HD# )   (( resid 104  and name  HB1 )) 3.329 1.629 5.389 peak 18830 weight  1.00000E+00 volume  4.85219E+05 ppm1      0.751 ppm2      2.922 !3

!ASSI {340}   (( resid 108  and name  HG1 ))   (  resid 104  and name  HE# ) 3.016 1.316 5.386 peak 22040 weight  1.00000E+00 volume  6.69945E+05 ppm1      1.454 ppm2      7.184 !3

!ASSI {341}   (( resid 148  and name  HD2 ))   (( resid 57   and name  HA2 )) 3.098 1.398 5.418 peak 12683 weight  1.00000E+00 volume  2.67185E+05 ppm1      3.127 ppm2      4.271 !3

!ASSI {342}   (( resid 167  and name  HB2 ))   (( resid 148  and name  HD2 )) 3.163 1.463 6.053 peak 17472 weight  1.00000E+00 volume  2.11141E+05 ppm1      3.770 ppm2      3.103 !4

!ASSI {343}   (( resid 149  and name  HB1 ))   (( resid 74   and name  HG1 )) 3.067 1.367 5.637 peak 15011 weight  1.00000E+00 volume  2.82837E+05 ppm1      2.873 ppm2      1.782 !3

!ASSI {344}   (( resid 139  and name  HB2 ))   (( resid 151  and name  HG  )) 2.992 1.292 5.492 peak 18365 weight  1.00000E+00 volume  3.42614E+05 ppm1      1.358 ppm2      2.938 !3

!ASSI {345}   (( resid 23   and name  HB2 ))   (  resid 85   and name  HB# ) 3.617 1.917 5.327 peak 16894 weight  1.00000E+00 volume  2.14260E+05 ppm1      0.140 ppm2      3.019 !4

!ASSI {346}   (  resid 170  and name  HG1#)   (( resid 115  and name  HB2 )) 3.896 2.196 4.876 peak 19459 weight  1.00000E+00 volume  1.13016E+05 ppm1      1.036 ppm2      0.449 !3

!ASSI {347}   (( resid 116  and name  HD2 ))   (( resid 174  and name  HB2 )) 3.155 1.455 5.856 peak 15362 weight  1.00000E+00 volume  2.40185E+05 ppm1      3.466 ppm2      1.692 !3

!ASSI {348}   (( resid 89   and name  HD2 ))   (( resid 91   and name  HA2 )) 2.787 1.087 7.487 peak 20107 weight  1.00000E+00 volume  6.80718E+05 ppm1      4.161 ppm2      3.693 !3

!ASSI {349}   (( resid 127  and name  HG11))   (( resid 100  and name  HG1 )) 3.272 1.572 4.963 peak 19114 weight  1.00000E+00 volume  1.64258E+05 ppm1      2.696 ppm2      0.818 !3

!ASSI {350}   (( resid 98   and name  HG11))   (( resid 127  and name  HB  )) 2.928 1.228 5.248 peak 17718 weight  1.00000E+00 volume  4.12185E+05 ppm1      1.487 ppm2      0.713 !2

!ASSI {351}   (( resid 134  and name  HB2 ))   (  resid 175  and name  HG# ) 3.402 1.702 5.043 peak 13030 weight  1.00000E+00 volume  1.33509E+05 ppm1      1.590 ppm2      0.528 !3

!ASSI {352}   (( resid 148  and name  HB1 ))   (( resid 57   and name  HA1 )) 2.975 1.275 7.525 peak 12123 weight  1.00000E+00 volume  3.76344E+05 ppm1      1.666 ppm2      3.647 !3

!ASSI {353}   (( resid 148  and name  HG2 ))   (( resid 163  and name  HD1 )) 3.478 1.778 6.288 peak 19504 weight  1.00000E+00 volume  1.04427E+05 ppm1      1.803 ppm2      6.216 !3

!ASSI {354}   (( resid 178  and name  HB2 ))   (( resid 63   and name  HD2 )) 3.207 1.507 5.097 peak 18387 weight  1.00000E+00 volume  1.96996E+05 ppm1      4.155 ppm2      1.801 !3

!ASSI {355}   (( resid 53   and name  HB1 ))   (( resid 79   and name  HD2 )) 3.044 1.344 5.674 peak 18704 weight  1.00000E+00 volume  3.25938E+05 ppm1      1.598 ppm2      3.146 !3

!ASSI {356}   (( resid 16   and name  HB1 ))   (( resid 67   and name  HB1 )) 3.064 1.364 6.184 peak 17022 weight  1.00000E+00 volume  2.95405E+05 ppm1      3.802 ppm2      2.977 !3

!ASSI {357}   (  resid 88   and name  HD2#)   (( resid 47   and name  HZ3 )) 3.635 1.935 5.925 peak 20699 weight  1.00000E+00 volume  2.21849E+05 ppm1      0.786 ppm2      6.825 !2

!ASSI {358}   (  resid 72   and name  HD# )   (( resid 74   and name  HG1 )) 2.814 1.114 6.674 peak 17183 weight  1.00000E+00 volume  5.75987E+05 ppm1      3.424 ppm2      2.906 !4

!ASSI {359}   (( resid 116  and name  HD1 ))   (  resid 96   and name  HG2#) 3.619 1.919 5.578 peak 18277 weight  1.00000E+00 volume  2.31642E+05 ppm1     -0.439 ppm2      3.982 !3

!ASSI {360}   (( resid 138  and name  HG11))   (( resid 63   and name  HD2 )) 2.946 1.246 6.286 peak 18391 weight  1.00000E+00 volume  3.76291E+05 ppm1      4.151 ppm2      1.458 !3

!ASSI {361}   (  resid 58   and name  HE# )   (  resid 166  and name  HB# ) 4.051 2.351 4.151 peak 11973 weight  1.00000E+00 volume  1.75092E+05 ppm1      1.436 ppm2      6.863 !2

!ASSI {362}   (  resid 172  and name  HB# )   (( resid 170  and name  HB  )) 3.175 1.475 5.544 peak 19423 weight  1.00000E+00 volume  2.10915E+05 ppm1      1.611 ppm2      4.243 !4

!ASSI {363}   (( resid 71   and name  HB1 ))   (( resid 74   and name  HG2 )) 3.085 1.385 5.175 peak 19223 weight  1.00000E+00 volume  2.65305E+05 ppm1      1.829 ppm2      2.630 !3

!ASSI {364}   (( resid 8    and name  HB  ))   (  resid 80   and name  HD2#) 3.633 1.933 4.703 peak 11092 weight  1.00000E+00 volume  2.21623E+05 ppm1      0.872 ppm2     -0.396 !2

!ASSI {365}   (( resid 62   and name  HG  ))   (( resid 74   and name  HG1 )) 3.271 1.571 4.971 peak 15014 weight  1.00000E+00 volume  1.60098E+05 ppm1      2.877 ppm2      1.139 !3

!ASSI {366}   (( resid 125  and name  HB2 ))   (( resid 124  and name  HG1 )) 2.64 0.94 6.191 peak 21497 weight  1.00000E+00 volume  1.09785E+06 ppm1      1.918 ppm2      2.607 !3

!ASSI {367}   (( resid 137  and name  HB1 ))   (  resid 175  and name  HG# ) 3.466 1.766 6.266 peak 12291 weight  1.00000E+00 volume  1.06008E+05 ppm1      3.052 ppm2      0.524 !3

!ASSI {368}   (  resid 30   and name  HD# )   (( resid 12   and name  HG1 )) 3.519 1.819 6.88 peak 19287 weight  1.00000E+00 volume  1.74505E+05 ppm1      2.798 ppm2      6.878 !4

!ASSI {369}   (( resid 23   and name  HB1 ))   (( resid 43   and name  HB2 )) 2.726 1.026 8.146 peak 13461 weight  1.00000E+00 volume  8.10420E+05 ppm1      2.457 ppm2      1.935 !4

!ASSI {370}   (( resid 34   and name  HB2 ))   (  resid 40   and name  HG2#) 3.744 2.044 6.823 peak 14311 weight  1.00000E+00 volume  1.59975E+05 ppm1      1.301 ppm2      0.275 !4

!ASSI {371}   (( resid 36   and name  HB1 ))   (( resid 77   and name  HD22)) 3.096 1.396 7.436 peak 17711 weight  1.00000E+00 volume  2.47862E+05 ppm1      2.052 ppm2      7.192 !4

!ASSI {372}   (( resid 72   and name  HB2 ))   (( resid 63   and name  HD2 )) 3.504 1.804 6.604 peak 14415 weight  1.00000E+00 volume  1.05463E+05 ppm1      2.438 ppm2      4.180 !3

!!ASSI {373}   (( resid 75   and name  HA1 ))   (( resid 49   and name  HB  )) 2.834 1.134 8.874 peak 21353 weight  1.00000E+00 volume  5.57180E+05 ppm1      2.309 ppm2      2.832 !3

!!ASSI {374}   (( resid 78   and name  HB2 ))   (( resid 73   and name  HB1 )) 3.142 1.442 7.382 peak 12500 weight  1.00000E+00 volume  2.45387E+05 ppm1      2.561 ppm2      3.111 !3

!ASSI {375}   (( resid 118  and name  HG12))   (( resid 143  and name  HD2 )) 3.144 1.444 8.314 peak 13769 weight  1.00000E+00 volume  2.28999E+05 ppm1      1.529 ppm2      3.635 !3

!!ASSI {376}   (( resid 144  and name  HB1 ))   (( resid 120  and name  HB2 )) 2.994 1.294 8.303 peak 15688 weight  1.00000E+00 volume  3.56616E+05 ppm1      1.860 ppm2      2.693 !4

!ASSI {377}   (( resid 176  and name  HG12))   (( resid 135  and name  HA2 )) 3.439 1.739 7.479 peak 11725 weight  1.00000E+00 volume  1.15722E+05 ppm1      1.379 ppm2      3.850 !3

!ASSI {378}   (  resid 152  and name  HD# )   (( resid 135  and name  HA2 )) 3.674 1.974 6.464 peak 15636 weight  1.00000E+00 volume  1.91277E+05 ppm1     -0.565 ppm2      3.851 !3

!ASSI {379}   (( resid 148  and name  HB1 ))   (( resid 164  and name  HA2 )) 2.753 1.053 8.973 peak 12125 weight  1.00000E+00 volume  7.05797E+05 ppm1      1.669 ppm2      4.593 !3

!ASSI {380}   (( resid 15   and name  HB2 ))   (( resid 66   and name  HG1 )) 3.306 1.606 7.376 peak 14779 weight  1.00000E+00 volume  1.57761E+05 ppm1      1.897 ppm2      2.791 !1

ASSI {0}   (( resid 2    and name  HN  ))   (( resid 4    and name  HN  )) 3.584 1.884 3.384 peak  7618 weight  1.00000E+00 volume  1.79027E+05 ppm1      8.723 ppm2      8.212 !2

ASSI {1}   (( resid 2    and name  HN  ))   (( resid 2    and name  HA  )) 3.373 1.573 1.573 peak  7620 weight  1.00000E+00 volume  2.69936E+05 ppm1      8.717 ppm2      4.530

ASSI {2}   (( resid 3    and name  HN  ))   (( resid 2    and name  HA  )) 2.275 0.575 1.305 peak  9776 weight  1.00000E+00 volume  1.04253E+07 ppm1      8.680 ppm2      4.522 !1

ASSI {3}   (( resid 4    and name  HN  ))   (( resid 2    and name  HB1 )) 3.033 1.333 3.583 peak  9835 weight  1.00000E+00 volume  7.47720E+05 ppm1      8.226 ppm2      3.877 !3

ASSI {4}   (( resid 4    and name  HN  ))   (( resid 3    and name  HN  )) 2.493 0.793 2.313 peak  5100 weight  1.00000E+00 volume  4.37972E+06 ppm1      8.226 ppm2      8.674 !2

ASSI {5}   (( resid 4    and name  HN  ))   (( resid 3    and name  HA  )) 2.173 0.473 1.403 peak  5103 weight  1.00000E+00 volume  1.64537E+07 ppm1      8.226 ppm2      4.431 !1

ASSI {6}   (( resid 4    and name  HN  ))   (( resid 3    and name  HB2 )) 2.727 1.027 1.607 peak  5108 weight  1.00000E+00 volume  1.85927E+06 ppm1      8.227 ppm2      1.797 !1

ASSI {7}   (( resid 4    and name  HN  ))   (  resid 3    and name  HD# ) 3.213 1.513 3.663 peak  5109 weight  1.00000E+00 volume  4.89961E+05 ppm1      8.225 ppm2      1.672 !2

ASSI {8}   (( resid 4    and name  HN  ))   (( resid 3    and name  HG2 )) 2.752 1.052 2.162 peak  5110 weight  1.00000E+00 volume  1.69521E+06 ppm1      8.229 ppm2      1.454 !1

ASSI {9}   (( resid 5    and name  HN  ))   (  resid 3    and name  HG# ) 3.156 1.456 4.796 peak  6582 weight  1.00000E+00 volume  5.05631E+05 ppm1      8.317 ppm2      1.458 !3

ASSI {10}   (( resid 3    and name  HN  ))   (( resid 3    and name  HA  )) 2.507 0.7075 0.7075 peak  9777 weight  1.00000E+00 volume  4.19494E+06 ppm1      8.680 ppm2      4.422

ASSI {11}   (( resid 3    and name  HN  ))   (( resid 3    and name  HB1 )) 2.647 0.947 2.327 peak  9779 weight  1.00000E+00 volume  2.47512E+06 ppm1      8.680 ppm2      1.910 !2

ASSI {12}   (( resid 3    and name  HN  ))   (( resid 3    and name  HB2 )) 2.445 0.745 2.235 peak  9780 weight  1.00000E+00 volume  5.16383E+06 ppm1      8.680 ppm2      1.798 !2

ASSI {13}   (( resid 3    and name  HN  ))   (  resid 3    and name  HD# ) 2.926 1.226 1.806 peak  9781 weight  1.00000E+00 volume  1.11595E+06 ppm1      8.680 ppm2      1.677 !1

ASSI {14}   (( resid 3    and name  HN  ))   (( resid 3    and name  HG1 )) 2.693 0.893 0.893 peak  9782 weight  1.00000E+00 volume  2.04120E+06 ppm1      8.680 ppm2      1.473

ASSI {15}   (( resid 4    and name  HN  ))   (( resid 3    and name  HB1 )) 2.715 1.015 2.805 peak  9836 weight  1.00000E+00 volume  1.95522E+06 ppm1      8.227 ppm2      1.912 !2

ASSI {16}   (( resid 4    and name  HN  ))   (( resid 4    and name  HB  )) 2.46 0.76 1.47 peak  5104 weight  1.00000E+00 volume  4.78557E+06 ppm1      8.225 ppm2      4.301 !1

ASSI {17}   (  resid 5    and name  HA# )   (( resid 4    and name  HN  )) 2.814 1.114 3.324 peak  5105 weight  1.00000E+00 volume  1.37741E+06 ppm1      8.226 ppm2      4.001 !2

ASSI {18}   (( resid 4    and name  HN  ))   (  resid 4    and name  HG2#) 2.596 0.896 1.356 peak  5111 weight  1.00000E+00 volume  8.87226E+06 ppm1      8.227 ppm2      1.218 !1

ASSI {19}   (( resid 5    and name  HN  ))   (( resid 4    and name  HN  )) 2.237 0.537 3.167 peak  6573 weight  1.00000E+00 volume  1.26369E+07 ppm1      8.311 ppm2      8.230 !2

ASSI {20}   (( resid 5    and name  HN  ))   (( resid 4    and name  HA  )) 2.287 0.587 1.446 peak  6578 weight  1.00000E+00 volume  9.69201E+06 ppm1      8.313 ppm2      4.370 !1

ASSI {21}   (( resid 5    and name  HN  ))   (  resid 4    and name  HG2#) 3.019 1.219 1.219 peak  6583 weight  1.00000E+00 volume  2.30871E+06 ppm1      8.314 ppm2      1.214

ASSI {22}   (( resid 6    and name  HN  ))   (( resid 4    and name  HB  )) 3.064 1.364 4.364 peak  8950 weight  1.00000E+00 volume  6.47275E+05 ppm1      8.122 ppm2      4.298 !4

ASSI {23}   (( resid 5    and name  HN  ))   (( resid 6    and name  HN  )) 2.432 0.732 3.432 peak  6572 weight  1.00000E+00 volume  5.51490E+06 ppm1      8.312 ppm2      8.123 !2

ASSI {24}   (( resid 5    and name  HN  ))   (  resid 5    and name  HA# ) 2.124 0.3245 0.3245 peak  6581 weight  1.00000E+00 volume  2.07413E+07 ppm1      8.313 ppm2      3.995

ASSI {25}   (( resid 5    and name  HN  ))   (  resid 6    and name  HG2#) 3.384 1.584 1.584 peak  6584 weight  1.00000E+00 volume  8.77463E+05 ppm1      8.313 ppm2      0.987

ASSI {26}   (  resid 5    and name  HA# )   (( resid 6    and name  HN  )) 2.141 0.441 0.841 peak  8954 weight  1.00000E+00 volume  1.91850E+07 ppm1      8.126 ppm2      3.994 !1

ASSI {27}   (  resid 6    and name  HG2#)   (( resid 86   and name  HN  )) 3.947 2.147 2.147 peak  5477 weight  1.00000E+00 volume  2.37127E+05 ppm1      8.081 ppm2      1.001

ASSI {28}   (( resid 7    and name  HN  ))   (( resid 6    and name  HA  )) 2.583 0.7825 0.7825 peak  7130 weight  1.00000E+00 volume  2.95232E+06 ppm1      8.599 ppm2      4.535

ASSI {29}   (  resid 6    and name  HG2#)   (( resid 7    and name  HN  )) 3.252 1.452 1.452 peak  7148 weight  1.00000E+00 volume  1.21394E+06 ppm1      8.594 ppm2      0.994

ASSI {30}   (( resid 6    and name  HN  ))   (( resid 7    and name  HN  )) 2.872 1.172 1.751 peak  8945 weight  1.00000E+00 volume  1.16735E+06 ppm1      8.125 ppm2      8.578 !1

ASSI {31}   (( resid 6    and name  HN  ))   (( resid 6    and name  HA  )) 2.593 0.7925 0.7925 peak  8949 weight  1.00000E+00 volume  2.94000E+06 ppm1      8.126 ppm2      4.531

ASSI {32}   (  resid 7    and name  HD# )   (( resid 6    and name  HN  )) 3.296 1.596 5.337 peak  8960 weight  1.00000E+00 volume  3.58825E+05 ppm1      8.115 ppm2      1.460 !3

ASSI {33}   (( resid 7    and name  HB1 ))   (( resid 6    and name  HN  )) 3.322 1.622 2.602 peak  8961 weight  1.00000E+00 volume  3.55076E+05 ppm1      8.125 ppm2      1.716 !1

ASSI {34}   (( resid 7    and name  HB2 ))   (( resid 6    and name  HN  )) 3.34 1.64 3.449 peak  8962 weight  1.00000E+00 volume  3.16352E+05 ppm1      8.126 ppm2      1.646 !2

ASSI {35}   (  resid 6    and name  HG2#)   (( resid 6    and name  HN  )) 2.587 0.787 0.787 peak  8964 weight  1.00000E+00 volume  9.23469E+06 ppm1      8.126 ppm2      0.993

ASSI {36}   (  resid 85   and name  HB# )   (( resid 6    and name  HN  )) 3.946 2.145 2.145 peak  8965 weight  1.00000E+00 volume  2.59011E+05 ppm1      8.125 ppm2      0.144

ASSI {37}   (( resid 7    and name  HN  ))   (( resid 7    and name  HA  )) 3.077 1.277 1.277 peak  7129 weight  1.00000E+00 volume  6.10051E+05 ppm1      8.597 ppm2      4.997

ASSI {38}   (( resid 8    and name  HA  ))   (( resid 7    and name  HN  )) 2.895 1.195 2.435 peak  7131 weight  1.00000E+00 volume  9.57131E+05 ppm1      8.595 ppm2      4.470 !2

ASSI {39}   (( resid 7    and name  HE2 ))   (( resid 7    and name  HN  )) 3.582 1.882 3.212 peak  7137 weight  1.00000E+00 volume  1.64141E+05 ppm1      8.604 ppm2      2.713 !2

ASSI {40}   (( resid 7    and name  HB2 ))   (( resid 7    and name  HN  )) 2.97 1.169 1.169 peak  7143 weight  1.00000E+00 volume  8.24454E+05 ppm1      8.598 ppm2      1.635

ASSI {41}   (( resid 7    and name  HB1 ))   (( resid 7    and name  HN  )) 3.0 1.2 1.2 peak  7144 weight  1.00000E+00 volume  7.36877E+05 ppm1      8.596 ppm2      1.711

ASSI {42}   (  resid 8    and name  HG2#)   (( resid 7    and name  HN  )) 3.838 2.038 2.038 peak  7150 weight  1.00000E+00 volume  3.17207E+05 ppm1      8.590 ppm2     -0.545

ASSI {43}   (( resid 8    and name  HN  ))   (( resid 7    and name  HN  )) 2.974 1.274 1.594 peak  7683 weight  1.00000E+00 volume  8.36943E+05 ppm1      8.466 ppm2      8.582 !1

ASSI {44}   (( resid 8    and name  HN  ))   (( resid 7    and name  HE2 )) 3.484 1.683 1.683 peak  7701 weight  1.00000E+00 volume  2.19945E+05 ppm1      8.458 ppm2      2.730

ASSI {45}   (( resid 7    and name  HB2 ))   (( resid 8    and name  HN  )) 2.943 1.143 1.143 peak  7704 weight  1.00000E+00 volume  9.38335E+05 ppm1      8.463 ppm2      1.634

ASSI {46}   (( resid 8    and name  HN  ))   (( resid 7    and name  HD2 )) 3.075 1.275 1.275 peak  7706 weight  1.00000E+00 volume  6.36219E+05 ppm1      8.463 ppm2      1.481

ASSI {47}   (( resid 8    and name  HN  ))   (( resid 7    and name  HG1 )) 2.751 0.951 0.951 peak  7707 weight  1.00000E+00 volume  1.65273E+06 ppm1      8.463 ppm2      1.201

ASSI {48}   (( resid 7    and name  HG1 ))   (( resid 7    and name  HN  )) 3.026 1.326 1.816 peak 10551 weight  1.00000E+00 volume  7.27206E+05 ppm1      8.600 ppm2      1.216 !1

ASSI {49}   (( resid 9    and name  HN  ))   (  resid 8    and name  HD1#) 3.252 1.452 1.452 peak  7439 weight  1.00000E+00 volume  1.22033E+06 ppm1      8.357 ppm2     -0.085

ASSI {50}   (( resid 9    and name  HN  ))   (  resid 8    and name  HG2#) 3.266 1.466 1.466 peak  7442 weight  1.00000E+00 volume  1.16821E+06 ppm1      8.360 ppm2     -0.557

ASSI {51}   (( resid 9    and name  HN  ))   (( resid 8    and name  HN  )) 3.096 1.296 1.296 peak  7682 weight  1.00000E+00 volume  5.81508E+05 ppm1      8.461 ppm2      8.352

ASSI {52}   (( resid 8    and name  HN  ))   (( resid 9    and name  HA  )) 3.308 1.508 1.508 peak  7694 weight  1.00000E+00 volume  3.31822E+05 ppm1      8.463 ppm2      4.615

ASSI {53}   (( resid 8    and name  HN  ))   (  resid 9    and name  HG2#) 3.993 2.193 2.193 peak  7711 weight  1.00000E+00 volume  2.27500E+05 ppm1      8.471 ppm2      0.543

ASSI {54}   (( resid 8    and name  HN  ))   (  resid 8    and name  HD1#) 3.718 1.918 1.918 peak  7713 weight  1.00000E+00 volume  3.95328E+05 ppm1      8.458 ppm2     -0.089

ASSI {55}   (( resid 8    and name  HN  ))   (  resid 8    and name  HG2#) 2.953 1.153 1.153 peak  7717 weight  1.00000E+00 volume  2.74969E+06 ppm1      8.463 ppm2     -0.559

ASSI {56}   (( resid 8    and name  HN  ))   (( resid 8    and name  HG12)) 3.357 1.557 1.557 peak  7718 weight  1.00000E+00 volume  3.08089E+05 ppm1      8.456 ppm2     -0.788

ASSI {57}   (( resid 9    and name  HN  ))   (( resid 9    and name  HA  )) 3.035 1.236 1.236 peak  7417 weight  1.00000E+00 volume  7.07624E+05 ppm1      8.360 ppm2      4.604

ASSI {58}   (( resid 9    and name  HN  ))   (( resid 9    and name  HB  )) 2.835 1.035 1.035 peak  7421 weight  1.00000E+00 volume  1.27764E+06 ppm1      8.356 ppm2      3.528

ASSI {59}   (( resid 11   and name  HN  ))   (( resid 10   and name  HB2 )) 2.95 1.25 1.58 peak  4982 weight  1.00000E+00 volume  8.90391E+05 ppm1      9.015 ppm2      3.166 !1

ASSI {60}   (( resid 13   and name  HN  ))   (( resid 10   and name  HA  )) 3.129 1.429 4.739 peak  5124 weight  1.00000E+00 volume  5.26699E+05 ppm1      8.062 ppm2      4.659 !2

ASSI {61}   (( resid 23   and name  HN  ))   (( resid 10   and name  HN  )) 3.12 1.42 3.69 peak  5249 weight  1.00000E+00 volume  4.95911E+05 ppm1      8.693 ppm2      8.760 !2

ASSI {62}   (( resid 10   and name  HN  ))   (  resid 11   and name  HD# ) 3.622 1.822 1.822 peak  5258 weight  1.00000E+00 volume  3.31081E+05 ppm1      8.687 ppm2      6.746

ASSI {63}   (( resid 10   and name  HN  ))   (( resid 20   and name  HA  )) 3.331 1.531 1.531 peak  5259 weight  1.00000E+00 volume  3.21531E+05 ppm1      8.691 ppm2      5.716

ASSI {64}   (( resid 8    and name  HA  ))   (( resid 10   and name  HN  )) 3.498 1.798 2.668 peak  5262 weight  1.00000E+00 volume  1.94166E+05 ppm1      8.699 ppm2      4.484 !1

ASSI {65}   (( resid 9    and name  HB  ))   (( resid 10   and name  HN  )) 3.375 1.575 1.575 peak  5264 weight  1.00000E+00 volume  2.95836E+05 ppm1      8.698 ppm2      3.511

ASSI {66}   (( resid 10   and name  HB2 ))   (( resid 10   and name  HN  )) 3.008 1.208 1.208 peak  5265 weight  1.00000E+00 volume  7.73328E+05 ppm1      8.694 ppm2      3.163

ASSI {67}   (( resid 10   and name  HB1 ))   (( resid 10   and name  HN  )) 2.998 1.198 1.198 peak  5267 weight  1.00000E+00 volume  7.71757E+05 ppm1      8.696 ppm2      2.559

ASSI {68}   (  resid 9    and name  HG2#)   (( resid 10   and name  HN  )) 3.09 1.29 1.29 peak  5273 weight  1.00000E+00 volume  1.84968E+06 ppm1      8.697 ppm2      0.544

ASSI {69}   (( resid 22   and name  HN  ))   (( resid 10   and name  HN  )) 3.432 1.732 2.072 peak  5486 weight  1.00000E+00 volume  2.48101E+05 ppm1      8.685 ppm2      7.536 !1

ASSI {70}   (( resid 10   and name  HN  ))   (( resid 20   and name  HD1 )) 3.41 1.71 2.67 peak  5491 weight  1.00000E+00 volume  2.62298E+05 ppm1      8.692 ppm2      3.003 !2

ASSI {71}   (( resid 21   and name  HB1 ))   (( resid 10   and name  HN  )) 3.376 1.576 1.576 peak  5492 weight  1.00000E+00 volume  2.77647E+05 ppm1      8.697 ppm2      2.410

ASSI {72}   (( resid 40   and name  HG11))   (( resid 10   and name  HN  )) 3.33 1.63 2.32 peak  5493 weight  1.00000E+00 volume  3.09268E+05 ppm1      8.688 ppm2      1.399 !1

ASSI {73}   (( resid 20   and name  HG1 ))   (( resid 10   and name  HN  )) 3.484 1.784 3.013 peak  5494 weight  1.00000E+00 volume  2.24677E+05 ppm1      8.682 ppm2      1.476 !2

ASSI {74}   (  resid 40   and name  HG2#)   (( resid 10   and name  HN  )) 4.057 2.257 2.257 peak  5498 weight  1.00000E+00 volume  1.95068E+05 ppm1      8.682 ppm2      0.239

ASSI {75}   (( resid 9    and name  HN  ))   (( resid 10   and name  HN  )) 3.332 1.532 1.532 peak  7406 weight  1.00000E+00 volume  3.20841E+05 ppm1      8.347 ppm2      8.686

ASSI {76}   (( resid 40   and name  HN  ))   (  resid 10   and name  HD# ) 3.718 2.018 3.338 peak  7584 weight  1.00000E+00 volume  2.63725E+05 ppm1      9.089 ppm2      6.533 !2

ASSI {77}   (( resid 8    and name  HN  ))   (  resid 10   and name  HE# ) 3.745 1.945 1.945 peak  7686 weight  1.00000E+00 volume  2.65316E+05 ppm1      8.466 ppm2      7.067

ASSI {78}   (( resid 21   and name  HN  ))   (( resid 10   and name  HN  )) 2.822 1.022 1.022 peak  8221 weight  1.00000E+00 volume  1.35518E+06 ppm1      8.933 ppm2      8.695

ASSI {79}   (( resid 21   and name  HN  ))   (( resid 10   and name  HB2 )) 3.064 1.264 1.264 peak  8246 weight  1.00000E+00 volume  6.59278E+05 ppm1      8.929 ppm2      3.148

ASSI {80}   (( resid 21   and name  HN  ))   (( resid 10   and name  HB1 )) 3.056 1.356 2.916 peak  8253 weight  1.00000E+00 volume  6.48985E+05 ppm1      8.929 ppm2      2.561 !2

ASSI {81}   (( resid 10   and name  HB2 ))   (( resid 38   and name  HN  )) 3.264 1.564 2.544 peak  8475 weight  1.00000E+00 volume  3.78729E+05 ppm1      8.494 ppm2      3.163 !1

ASSI {82}   (( resid 37   and name  HN  ))   (  resid 10   and name  HD# ) 3.539 1.839 3.149 peak  9005 weight  1.00000E+00 volume  3.81378E+05 ppm1      9.788 ppm2      6.528 !1

ASSI {83}   (( resid 10   and name  HN  ))   (  resid 40   and name  HD1#) 3.682 1.882 1.882 peak  9888 weight  1.00000E+00 volume  4.57831E+05 ppm1      8.701 ppm2     -0.581

ASSI {84}   (( resid 11   and name  HN  ))   (  resid 30   and name  HD# ) 3.559 1.859 4.929 peak  4970 weight  1.00000E+00 volume  3.59861E+05 ppm1      9.017 ppm2      6.860 !2

ASSI {85}   (( resid 11   and name  HN  ))   (( resid 37   and name  HA  )) 3.094 1.294 1.294 peak  4972 weight  1.00000E+00 volume  5.95150E+05 ppm1      9.015 ppm2      5.334

ASSI {86}   (( resid 11   and name  HA  ))   (( resid 11   and name  HN  )) 3.096 1.296 1.296 peak  4973 weight  1.00000E+00 volume  5.88821E+05 ppm1      9.014 ppm2      5.449

ASSI {87}   (( resid 11   and name  HN  ))   (( resid 9    and name  HA  )) 2.765 1.065 3.015 peak  4976 weight  1.00000E+00 volume  1.60260E+06 ppm1      9.015 ppm2      4.604 !1

ASSI {88}   (( resid 41   and name  HN  ))   (( resid 11   and name  HN  )) 2.457 0.757 3.797 peak  4979 weight  1.00000E+00 volume  4.77230E+06 ppm1      9.013 ppm2      9.013 !3

ASSI {89}   (( resid 11   and name  HB1 ))   (( resid 11   and name  HN  )) 3.143 1.343 1.343 peak  4980 weight  1.00000E+00 volume  5.27453E+05 ppm1      9.014 ppm2      3.408

ASSI {90}   (( resid 40   and name  HG11))   (( resid 11   and name  HN  )) 3.316 1.515 1.515 peak  4986 weight  1.00000E+00 volume  3.38934E+05 ppm1      9.011 ppm2      1.402

ASSI {91}   (  resid 34   and name  HD1#)   (( resid 11   and name  HN  )) 3.812 2.012 2.012 peak  4988 weight  1.00000E+00 volume  3.08890E+05 ppm1      9.012 ppm2      0.775

ASSI {92}   (  resid 9    and name  HG2#)   (( resid 11   and name  HN  )) 3.976 2.176 2.176 peak  4989 weight  1.00000E+00 volume  2.52846E+05 ppm1      9.018 ppm2      0.544

ASSI {93}   (  resid 40   and name  HG2#)   (( resid 11   and name  HN  )) 3.881 2.082 2.082 peak  4990 weight  1.00000E+00 volume  2.90471E+05 ppm1      9.015 ppm2      0.242

ASSI {94}   (( resid 11   and name  HN  ))   (  resid 40   and name  HD1#) 3.808 2.008 2.008 peak  4991 weight  1.00000E+00 volume  3.19706E+05 ppm1      9.010 ppm2     -0.589

ASSI {95}   (( resid 11   and name  HB1 ))   (( resid 13   and name  HN  )) 3.234 1.433 1.433 peak  5127 weight  1.00000E+00 volume  4.13731E+05 ppm1      8.062 ppm2      3.413

ASSI {96}   (( resid 11   and name  HB2 ))   (( resid 13   and name  HN  )) 2.912 1.212 1.802 peak  5128 weight  1.00000E+00 volume  1.03506E+06 ppm1      8.064 ppm2      3.207 !1

ASSI {97}   (( resid 11   and name  HN  ))   (( resid 13   and name  HN  )) 3.208 1.508 2.628 peak  5439 weight  1.00000E+00 volume  4.47608E+05 ppm1      9.015 ppm2      8.058 !1

ASSI {98}   (( resid 11   and name  HN  ))   (( resid 20   and name  HA  )) 3.222 1.522 2.502 peak  5441 weight  1.00000E+00 volume  4.22095E+05 ppm1      9.014 ppm2      5.707 !1

ASSI {99}   (( resid 11   and name  HN  ))   (( resid 41   and name  HA  )) 3.312 1.612 4.692 peak  5442 weight  1.00000E+00 volume  3.06557E+05 ppm1      9.014 ppm2      4.975 !3

ASSI {100}   (( resid 20   and name  HB2 ))   (( resid 11   and name  HN  )) 3.199 1.499 2.418 peak  5447 weight  1.00000E+00 volume  4.45144E+05 ppm1      9.019 ppm2      1.206 !2

ASSI {101}   (( resid 18   and name  HN  ))   (( resid 11   and name  HB2 )) 3.457 1.757 4.527 peak  6491 weight  1.00000E+00 volume  2.22154E+05 ppm1      8.390 ppm2      3.222 !3

ASSI {102}   (( resid 14   and name  HN  ))   (( resid 11   and name  HB2 )) 3.285 1.585 2.745 peak  6681 weight  1.00000E+00 volume  3.68874E+05 ppm1      8.572 ppm2      3.213 !1

ASSI {103}   (( resid 16   and name  HN  ))   (( resid 11   and name  HB1 )) 3.176 1.376 1.376 peak  7270 weight  1.00000E+00 volume  4.85095E+05 ppm1      8.002 ppm2      3.406

ASSI {104}   (( resid 17   and name  HN  ))   (( resid 11   and name  HN  )) 3.425 1.725 2.905 peak  7475 weight  1.00000E+00 volume  2.59960E+05 ppm1      6.268 ppm2      9.023 !1

ASSI {105}   (( resid 17   and name  HN  ))   (( resid 11   and name  HA  )) 3.228 1.528 2.448 peak  7477 weight  1.00000E+00 volume  4.21604E+05 ppm1      6.264 ppm2      5.432 !1

ASSI {106}   (( resid 17   and name  HN  ))   (( resid 11   and name  HB1 )) 3.101 1.301 1.301 peak  7488 weight  1.00000E+00 volume  5.96897E+05 ppm1      6.263 ppm2      3.404

ASSI {107}   (( resid 17   and name  HN  ))   (( resid 11   and name  HB2 )) 2.926 1.126 1.126 peak  7489 weight  1.00000E+00 volume  9.58960E+05 ppm1      6.265 ppm2      3.213

ASSI {108}   (( resid 39   and name  HN  ))   (( resid 11   and name  HA  )) 2.948 1.248 5.058 peak  7989 weight  1.00000E+00 volume  9.14394E+05 ppm1      8.398 ppm2      5.446 !4

ASSI {109}   (( resid 39   and name  HN  ))   (( resid 11   and name  HB1 )) 3.055 1.355 2.865 peak  8003 weight  1.00000E+00 volume  6.65708E+05 ppm1      8.390 ppm2      3.406 !2

ASSI {110}   (( resid 21   and name  HN  ))   (( resid 11   and name  HA  )) 3.032 1.232 1.232 peak  8240 weight  1.00000E+00 volume  6.85918E+05 ppm1      8.928 ppm2      5.435

ASSI {111}   (( resid 11   and name  HA  ))   (( resid 12   and name  HN  )) 2.607 0.8075 0.8075 peak  8898 weight  1.00000E+00 volume  2.71726E+06 ppm1      9.204 ppm2      5.445

ASSI {112}   (( resid 11   and name  HB1 ))   (( resid 12   and name  HN  )) 3.153 1.353 1.353 peak  8904 weight  1.00000E+00 volume  5.25401E+05 ppm1      9.202 ppm2      3.408

ASSI {113}   (( resid 11   and name  HB2 ))   (( resid 12   and name  HN  )) 2.925 1.125 1.125 peak  8905 weight  1.00000E+00 volume  9.83253E+05 ppm1      9.204 ppm2      3.200

ASSI {114}   (( resid 11   and name  HN  ))   (( resid 38   and name  HN  )) 3.394 1.594 1.594 peak  9468 weight  1.00000E+00 volume  2.54198E+05 ppm1      8.497 ppm2      9.017

ASSI {115}   (( resid 11   and name  HB1 ))   (( resid 41   and name  HN  )) 3.514 1.814 3.894 peak 11079 weight  1.00000E+00 volume  2.22110E+05 ppm1      9.035 ppm2      3.395 !2

ASSI {116}   (( resid 11   and name  HB1 ))   (( resid 38   and name  HN  )) 3.448 1.648 1.648 peak 11440 weight  1.00000E+00 volume  2.47016E+05 ppm1      8.488 ppm2      3.422

ASSI {117}   (( resid 13   and name  HN  ))   (( resid 12   and name  HN  )) 2.666 0.866 0.866 peak  5119 weight  1.00000E+00 volume  2.26218E+06 ppm1      8.059 ppm2      9.205

ASSI {118}   (( resid 12   and name  HB2 ))   (( resid 13   and name  HN  )) 2.728 0.9275 0.9275 peak  5131 weight  1.00000E+00 volume  1.73614E+06 ppm1      8.061 ppm2      2.233

ASSI {119}   (( resid 12   and name  HB1 ))   (( resid 13   and name  HN  )) 2.859 1.058 1.058 peak  5132 weight  1.00000E+00 volume  1.20917E+06 ppm1      8.061 ppm2      2.118

ASSI {120}   (( resid 18   and name  HN  ))   (( resid 12   and name  HB1 )) 3.078 1.378 3.278 peak  6492 weight  1.00000E+00 volume  6.19754E+05 ppm1      8.376 ppm2      2.140 !3

ASSI {121}   (( resid 19   and name  HN  ))   (( resid 12   and name  HN  )) 3.165 1.365 1.365 peak  6699 weight  1.00000E+00 volume  5.01629E+05 ppm1      8.507 ppm2      9.207

ASSI {122}   (( resid 19   and name  HN  ))   (( resid 12   and name  HB1 )) 2.95 1.25 1.67 peak  6714 weight  1.00000E+00 volume  8.82444E+05 ppm1      8.511 ppm2      2.116 !1

ASSI {123}   (( resid 19   and name  HN  ))   (( resid 12   and name  HB2 )) 2.796 1.096 1.546 peak  6715 weight  1.00000E+00 volume  1.46108E+06 ppm1      8.511 ppm2      2.222 !1

ASSI {124}   (( resid 36   and name  HN  ))   (( resid 12   and name  HG1 )) 2.619 0.919 1.46 peak  7085 weight  1.00000E+00 volume  2.62232E+06 ppm1      7.959 ppm2      2.734 !1

ASSI {125}   (( resid 36   and name  HN  ))   (( resid 12   and name  HB2 )) 3.171 1.471 2.131 peak  7086 weight  1.00000E+00 volume  4.76181E+05 ppm1      7.954 ppm2      2.221 !1

ASSI {126}   (( resid 16   and name  HN  ))   (( resid 12   and name  HB1 )) 3.154 1.454 5.704 peak  7278 weight  1.00000E+00 volume  4.88178E+05 ppm1      8.000 ppm2      2.111 !2

ASSI {127}   (( resid 17   and name  HN  ))   (( resid 12   and name  HN  )) 3.305 1.605 2.395 peak  7476 weight  1.00000E+00 volume  3.63393E+05 ppm1      6.268 ppm2      9.198 !1

ASSI {128}   (( resid 20   and name  HN  ))   (( resid 12   and name  HA  )) 3.34 1.64 3.889 peak  7539 weight  1.00000E+00 volume  3.14719E+05 ppm1      8.157 ppm2      4.704 !3

ASSI {129}   (( resid 20   and name  HN  ))   (( resid 12   and name  HG1 )) 3.214 1.514 3.324 peak  7545 weight  1.00000E+00 volume  4.20582E+05 ppm1      8.168 ppm2      2.741 !2

ASSI {130}   (( resid 39   and name  HN  ))   (( resid 12   and name  HA  )) 3.0 1.3 4.31 peak  7995 weight  1.00000E+00 volume  7.66899E+05 ppm1      8.398 ppm2      4.696 !3

ASSI {131}   (( resid 21   and name  HN  ))   (( resid 12   and name  HN  )) 3.342 1.642 2.652 peak  8219 weight  1.00000E+00 volume  3.06600E+05 ppm1      8.931 ppm2      9.217 !2

ASSI {132}   (( resid 36   and name  HN  ))   (( resid 12   and name  HN  )) 3.491 1.791 2.561 peak  8894 weight  1.00000E+00 volume  2.32398E+05 ppm1      9.203 ppm2      7.945 !1

ASSI {133}   (( resid 12   and name  HN  ))   (( resid 20   and name  HA  )) 3.031 1.231 1.231 peak  8897 weight  1.00000E+00 volume  7.09879E+05 ppm1      9.206 ppm2      5.704

ASSI {134}   (( resid 37   and name  HA  ))   (( resid 12   and name  HN  )) 3.07 1.37 2.9 peak  8899 weight  1.00000E+00 volume  6.60094E+05 ppm1      9.203 ppm2      5.327 !2

ASSI {135}   (( resid 12   and name  HA  ))   (( resid 12   and name  HN  )) 2.975 1.175 1.175 peak  8900 weight  1.00000E+00 volume  8.52606E+05 ppm1      9.200 ppm2      4.699

ASSI {136}   (( resid 12   and name  HN  ))   (( resid 19   and name  HA  )) 3.492 1.692 1.692 peak  8902 weight  1.00000E+00 volume  2.13439E+05 ppm1      9.192 ppm2      4.176

ASSI {137}   (( resid 12   and name  HB2 ))   (( resid 12   and name  HN  )) 2.669 0.8695 0.8695 peak  8909 weight  1.00000E+00 volume  2.24137E+06 ppm1      9.203 ppm2      2.226

ASSI {138}   (( resid 12   and name  HB1 ))   (( resid 12   and name  HN  )) 2.795 0.995 0.995 peak  8910 weight  1.00000E+00 volume  1.43439E+06 ppm1      9.203 ppm2      2.126

ASSI {139}   (( resid 40   and name  HG11))   (( resid 12   and name  HN  )) 3.264 1.564 4.034 peak  8913 weight  1.00000E+00 volume  3.75397E+05 ppm1      9.203 ppm2      1.384 !2

ASSI {140}   (( resid 20   and name  HB2 ))   (( resid 12   and name  HN  )) 3.332 1.632 2.712 peak  8914 weight  1.00000E+00 volume  3.23304E+05 ppm1      9.198 ppm2      1.226 !2

ASSI {141}   (( resid 20   and name  HG2 ))   (( resid 12   and name  HN  )) 3.41 1.71 3.39 peak  8915 weight  1.00000E+00 volume  2.67350E+05 ppm1      9.190 ppm2      1.106 !2

ASSI {142}   (  resid 34   and name  HD2#)   (( resid 12   and name  HN  )) 3.25 1.45 1.45 peak  8916 weight  1.00000E+00 volume  1.22109E+06 ppm1      9.204 ppm2      0.866

ASSI {143}   (  resid 34   and name  HD1#)   (( resid 12   and name  HN  )) 3.555 1.755 1.755 peak  8917 weight  1.00000E+00 volume  5.60089E+05 ppm1      9.206 ppm2      0.768

ASSI {144}   (( resid 37   and name  HN  ))   (( resid 12   and name  HB2 )) 3.228 1.528 4.588 peak  9024 weight  1.00000E+00 volume  4.23540E+05 ppm1      9.776 ppm2      2.218 !3

ASSI {145}   (( resid 18   and name  HA2 ))   (( resid 12   and name  HN  )) 3.401 1.701 2.701 peak 11210 weight  1.00000E+00 volume  2.78207E+05 ppm1      9.203 ppm2      4.476 !2

ASSI {146}   (( resid 14   and name  HN  ))   (( resid 13   and name  HN  )) 2.898 1.198 1.728 peak  5116 weight  1.00000E+00 volume  1.03162E+06 ppm1      8.062 ppm2      8.574 !1

ASSI {147}   (( resid 13   and name  HN  ))   (( resid 13   and name  HA  )) 2.675 0.875 0.875 peak  5122 weight  1.00000E+00 volume  2.13130E+06 ppm1      8.060 ppm2      5.409

ASSI {148}   (( resid 13   and name  HN  ))   (( resid 37   and name  HA  )) 3.316 1.616 3.686 peak  5123 weight  1.00000E+00 volume  2.97982E+05 ppm1      8.063 ppm2      5.317 !3

ASSI {149}   (( resid 18   and name  HA2 ))   (( resid 13   and name  HN  )) 2.995 1.295 2.235 peak  5125 weight  1.00000E+00 volume  8.08907E+05 ppm1      8.063 ppm2      4.492 !2

ASSI {150}   (  resid 34   and name  HD2#)   (( resid 13   and name  HN  )) 4.362 2.562 2.562 peak  5134 weight  1.00000E+00 volume  1.35652E+05 ppm1      8.055 ppm2      0.853

ASSI {151}   (( resid 38   and name  HD22))   (( resid 13   and name  HN  )) 2.923 1.223 3.063 peak  5458 weight  1.00000E+00 volume  9.42216E+05 ppm1      8.065 ppm2      8.148 !2

ASSI {152}   (( resid 18   and name  HN  ))   (( resid 13   and name  HN  )) 3.068 1.368 2.288 peak  6477 weight  1.00000E+00 volume  6.39866E+05 ppm1      8.383 ppm2      8.063 !2

ASSI {153}   (( resid 18   and name  HN  ))   (( resid 13   and name  HB2 )) 3.043 1.243 1.243 peak  6490 weight  1.00000E+00 volume  6.93993E+05 ppm1      8.383 ppm2      2.774

ASSI {154}   (( resid 14   and name  HN  ))   (( resid 13   and name  HA  )) 2.593 0.7925 0.7925 peak  6674 weight  1.00000E+00 volume  2.90416E+06 ppm1      8.581 ppm2      5.395

ASSI {155}   (( resid 19   and name  HN  ))   (( resid 13   and name  HN  )) 3.108 1.308 1.308 peak  6701 weight  1.00000E+00 volume  6.29683E+05 ppm1      8.514 ppm2      8.062

ASSI {156}   (( resid 17   and name  HN  ))   (( resid 13   and name  HN  )) 2.994 1.194 1.194 peak  7471 weight  1.00000E+00 volume  7.20299E+05 ppm1      6.265 ppm2      8.079

ASSI {157}   (( resid 14   and name  HN  ))   (( resid 15   and name  HD21)) 3.673 1.873 1.873 peak  5424 weight  1.00000E+00 volume  1.48821E+05 ppm1      7.518 ppm2      8.592

ASSI {158}   (( resid 15   and name  HN  ))   (( resid 14   and name  HN  )) 3.196 1.396 1.396 peak  6667 weight  1.00000E+00 volume  4.50371E+05 ppm1      8.577 ppm2      9.259

ASSI {159}   (( resid 14   and name  HN  ))   (( resid 38   and name  HA  )) 3.099 1.399 4.07 peak  6675 weight  1.00000E+00 volume  5.92428E+05 ppm1      8.585 ppm2      5.281 !3

ASSI {160}   (( resid 14   and name  HN  ))   (( resid 14   and name  HA  )) 2.825 1.025 1.025 peak  6678 weight  1.00000E+00 volume  1.32863E+06 ppm1      8.581 ppm2      3.870

ASSI {161}   (( resid 14   and name  HN  ))   (( resid 78   and name  HB2 )) 3.449 1.749 6.059 peak  6680 weight  1.00000E+00 volume  2.39079E+05 ppm1      8.581 ppm2      3.113 !3

ASSI {162}   (( resid 15   and name  HB1 ))   (( resid 14   and name  HN  )) 3.333 1.633 3.343 peak  6686 weight  1.00000E+00 volume  3.28572E+05 ppm1      8.578 ppm2      2.537 !1

ASSI {163}   (( resid 14   and name  HN  ))   (( resid 69   and name  HG1 )) 3.301 1.601 3.641 peak  6691 weight  1.00000E+00 volume  3.27498E+05 ppm1      8.576 ppm2      1.941 !2

ASSI {164}   (( resid 14   and name  HN  ))   (( resid 14   and name  HB2 )) 2.514 0.7135 0.7135 peak  6692 weight  1.00000E+00 volume  3.78548E+06 ppm1      8.580 ppm2      1.706

ASSI {165}   (( resid 14   and name  HN  ))   (  resid 14   and name  HD# ) 2.589 0.889 1.859 peak  6694 weight  1.00000E+00 volume  2.84263E+06 ppm1      8.580 ppm2      1.638 !2

ASSI {166}   (( resid 14   and name  HN  ))   (( resid 14   and name  HG1 )) 2.656 0.856 0.856 peak  6695 weight  1.00000E+00 volume  2.33912E+06 ppm1      8.580 ppm2      1.464

ASSI {167}   (( resid 14   and name  HN  ))   (  resid 34   and name  HD2#) 3.997 2.297 4.076 peak  6697 weight  1.00000E+00 volume  2.11696E+05 ppm1      8.578 ppm2      0.886 !2

ASSI {168}   (( resid 15   and name  HN  ))   (( resid 14   and name  HA  )) 2.721 0.9215 0.9215 peak  6913 weight  1.00000E+00 volume  1.83222E+06 ppm1      9.270 ppm2      3.865

ASSI {169}   (( resid 15   and name  HN  ))   (( resid 14   and name  HG1 )) 3.146 1.346 1.346 peak  6928 weight  1.00000E+00 volume  5.23443E+05 ppm1      9.270 ppm2      1.481

ASSI {170}   (( resid 16   and name  HN  ))   (( resid 14   and name  HB2 )) 3.164 1.464 2.194 peak  7279 weight  1.00000E+00 volume  4.93133E+05 ppm1      7.997 ppm2      1.705 !1

ASSI {171}   (( resid 17   and name  HN  ))   (( resid 14   and name  HN  )) 3.22 1.42 1.42 peak  7473 weight  1.00000E+00 volume  4.35256E+05 ppm1      6.269 ppm2      8.584

ASSI {172}   (( resid 17   and name  HN  ))   (( resid 14   and name  HA  )) 2.973 1.173 1.173 peak  7485 weight  1.00000E+00 volume  8.22204E+05 ppm1      6.264 ppm2      3.879

ASSI {173}   (( resid 40   and name  HN  ))   (( resid 14   and name  HA  )) 2.958 1.258 2.968 peak  7596 weight  1.00000E+00 volume  8.42415E+05 ppm1      9.093 ppm2      3.885 !2

ASSI {174}   (( resid 14   and name  HN  ))   (( resid 38   and name  HD22)) 3.214 1.514 1.854 peak 10409 weight  1.00000E+00 volume  4.21804E+05 ppm1      8.583 ppm2      8.156 !1

ASSI {175}   (( resid 15   and name  HD22))   (( resid 15   and name  HA  )) 3.598 1.798 1.798 peak  4929 weight  1.00000E+00 volume  1.74682E+05 ppm1      6.790 ppm2      3.166

ASSI {176}   (( resid 18   and name  HN  ))   (( resid 15   and name  HB1 )) 3.256 1.556 5.956 peak  6494 weight  1.00000E+00 volume  3.73283E+05 ppm1      8.373 ppm2      2.524 !2

ASSI {177}   (( resid 15   and name  HN  ))   (( resid 16   and name  HN  )) 3.102 1.302 1.302 peak  6900 weight  1.00000E+00 volume  5.84184E+05 ppm1      9.273 ppm2      7.997

ASSI {178}   (( resid 15   and name  HN  ))   (( resid 69   and name  HA  )) 3.363 1.563 1.563 peak  6908 weight  1.00000E+00 volume  2.94571E+05 ppm1      9.272 ppm2      5.355

ASSI {179}   (( resid 15   and name  HN  ))   (( resid 39   and name  HA  )) 3.254 1.454 1.454 peak  6909 weight  1.00000E+00 volume  4.05472E+05 ppm1      9.271 ppm2      5.007

ASSI {180}   (( resid 15   and name  HN  ))   (( resid 39   and name  HB1 )) 3.181 1.381 1.381 peak  6912 weight  1.00000E+00 volume  4.69372E+05 ppm1      9.267 ppm2      4.315

ASSI {181}   (( resid 68   and name  HA  ))   (( resid 15   and name  HN  )) 3.081 1.281 1.281 peak  6914 weight  1.00000E+00 volume  6.06114E+05 ppm1      9.268 ppm2      3.687

ASSI {182}   (( resid 15   and name  HN  ))   (( resid 15   and name  HA  )) 2.717 0.917 0.917 peak  6916 weight  1.00000E+00 volume  1.85588E+06 ppm1      9.270 ppm2      3.172

ASSI {183}   (( resid 15   and name  HN  ))   (( resid 15   and name  HB2 )) 2.905 1.105 1.105 peak  6918 weight  1.00000E+00 volume  1.00633E+06 ppm1      9.270 ppm2      2.821

ASSI {184}   (( resid 15   and name  HN  ))   (( resid 15   and name  HB1 )) 3.079 1.279 1.279 peak  6920 weight  1.00000E+00 volume  6.22925E+05 ppm1      9.268 ppm2      2.525

ASSI {185}   (( resid 15   and name  HN  ))   (( resid 69   and name  HG1 )) 3.194 1.394 1.394 peak  6922 weight  1.00000E+00 volume  4.58430E+05 ppm1      9.269 ppm2      1.961

ASSI {186}   (( resid 15   and name  HN  ))   (( resid 68   and name  HB1 )) 2.92 1.22 1.709 peak  6923 weight  1.00000E+00 volume  9.55547E+05 ppm1      9.271 ppm2      2.141 !1

ASSI {187}   (( resid 15   and name  HN  ))   (( resid 17   and name  HB1 )) 2.866 1.166 4.556 peak  6926 weight  1.00000E+00 volume  1.11452E+06 ppm1      9.271 ppm2      1.805 !2

ASSI {188}   (( resid 16   and name  HN  ))   (( resid 15   and name  HA  )) 2.792 0.9925 0.9925 peak  7271 weight  1.00000E+00 volume  1.46372E+06 ppm1      8.003 ppm2      3.179

ASSI {189}   (( resid 15   and name  HB1 ))   (( resid 16   and name  HN  )) 3.131 1.331 1.331 peak  7274 weight  1.00000E+00 volume  5.27984E+05 ppm1      8.004 ppm2      2.525

ASSI {190}   (( resid 17   and name  HN  ))   (( resid 15   and name  HN  )) 3.258 1.458 1.458 peak  7474 weight  1.00000E+00 volume  3.89435E+05 ppm1      6.265 ppm2      9.260

ASSI {191}   (( resid 17   and name  HN  ))   (( resid 15   and name  HA  )) 2.898 1.198 1.948 peak  7490 weight  1.00000E+00 volume  1.04755E+06 ppm1      6.264 ppm2      3.172 !1

ASSI {192}   (( resid 17   and name  HN  ))   (( resid 15   and name  HB1 )) 3.048 1.348 2.568 peak  7494 weight  1.00000E+00 volume  6.87752E+05 ppm1      6.262 ppm2      2.517 !2

ASSI {193}   (( resid 15   and name  HN  ))   (( resid 39   and name  HN  )) 3.543 1.743 1.743 peak  7983 weight  1.00000E+00 volume  2.18740E+05 ppm1      8.388 ppm2      9.254

ASSI {194}   (( resid 18   and name  HN  ))   (( resid 16   and name  HB2 )) 3.411 1.711 4.601 peak  6489 weight  1.00000E+00 volume  2.63942E+05 ppm1      8.375 ppm2      2.976 !3

ASSI {195}   (( resid 16   and name  HN  ))   (( resid 38   and name  HN  )) 3.407 1.707 3.407 peak  7250 weight  1.00000E+00 volume  2.53878E+05 ppm1      8.014 ppm2      8.515 !1

ASSI {196}   (( resid 40   and name  HN  ))   (( resid 16   and name  HN  )) 3.353 1.653 3.073 peak  7253 weight  1.00000E+00 volume  2.99040E+05 ppm1      8.005 ppm2      9.091 !2

ASSI {197}   (( resid 16   and name  HN  ))   (( resid 41   and name  HA  )) 3.361 1.661 6.261 peak  7265 weight  1.00000E+00 volume  3.00631E+05 ppm1      7.999 ppm2      4.988 !4

ASSI {198}   (( resid 16   and name  HN  ))   (( resid 39   and name  HB1 )) 2.982 1.183 1.183 peak  7266 weight  1.00000E+00 volume  8.40798E+05 ppm1      8.003 ppm2      4.321

ASSI {199}   (( resid 68   and name  HA  ))   (( resid 16   and name  HN  )) 3.116 1.316 1.316 peak  7268 weight  1.00000E+00 volume  5.53807E+05 ppm1      8.001 ppm2      3.702

ASSI {200}   (( resid 16   and name  HN  ))   (( resid 16   and name  HA  )) 2.662 0.862 0.862 peak  7273 weight  1.00000E+00 volume  2.23843E+06 ppm1      8.001 ppm2      2.840

ASSI {201}   (( resid 16   and name  HN  ))   (( resid 16   and name  HB1 )) 2.914 1.114 1.114 peak  7277 weight  1.00000E+00 volume  9.85162E+05 ppm1      8.002 ppm2      2.017

ASSI {202}   (( resid 16   and name  HN  ))   (( resid 17   and name  HB1 )) 3.059 1.359 3.33 peak  7280 weight  1.00000E+00 volume  6.36946E+05 ppm1      8.001 ppm2      1.797 !2

ASSI {203}   (( resid 17   and name  HN  ))   (( resid 16   and name  HN  )) 2.587 0.7865 0.7865 peak  7470 weight  1.00000E+00 volume  2.96556E+06 ppm1      6.266 ppm2      8.004

ASSI {204}   (( resid 17   and name  HN  ))   (( resid 16   and name  HA  )) 2.623 0.8225 0.8225 peak  7491 weight  1.00000E+00 volume  2.57298E+06 ppm1      6.265 ppm2      2.852

ASSI {205}   (( resid 17   and name  HN  ))   (( resid 16   and name  HB2 )) 2.882 1.182 1.542 peak  7492 weight  1.00000E+00 volume  1.08567E+06 ppm1      6.262 ppm2      2.963 !1

ASSI {206}   (( resid 16   and name  HN  ))   (( resid 39   and name  HN  )) 3.131 1.431 2.051 peak  7974 weight  1.00000E+00 volume  5.15761E+05 ppm1      8.398 ppm2      8.008 !1

ASSI {207}   (( resid 18   and name  HN  ))   (( resid 17   and name  HE21)) 3.403 1.703 3.123 peak  6478 weight  1.00000E+00 volume  2.76002E+05 ppm1      8.382 ppm2      7.225 !2

ASSI {208}   (( resid 18   and name  HN  ))   (( resid 17   and name  HN  )) 2.886 1.186 1.776 peak  6481 weight  1.00000E+00 volume  1.10527E+06 ppm1      8.379 ppm2      6.255 !1

ASSI {209}   (( resid 18   and name  HN  ))   (( resid 17   and name  HA  )) 2.415 0.615 0.615 peak  6484 weight  1.00000E+00 volume  5.61468E+06 ppm1      8.380 ppm2      4.631

ASSI {210}   (( resid 17   and name  HN  ))   (( resid 17   and name  HE21)) 2.928 1.128 1.128 peak  6746 weight  1.00000E+00 volume  9.92743E+05 ppm1      7.216 ppm2      6.263

ASSI {211}   (( resid 17   and name  HN  ))   (( resid 17   and name  HE22)) 2.999 1.299 2.819 peak  6747 weight  1.00000E+00 volume  7.94711E+05 ppm1      6.916 ppm2      6.257 !2

ASSI {212}   (( resid 17   and name  HE21))   (( resid 17   and name  HA  )) 2.978 1.278 2.858 peak  6748 weight  1.00000E+00 volume  8.31468E+05 ppm1      7.217 ppm2      4.630 !3

ASSI {213}   (( resid 17   and name  HE22))   (( resid 17   and name  HA  )) 3.038 1.338 3.288 peak  6749 weight  1.00000E+00 volume  7.18418E+05 ppm1      6.915 ppm2      4.636 !2

ASSI {214}   (( resid 17   and name  HN  ))   (( resid 69   and name  HA  )) 3.287 1.587 4.627 peak  7478 weight  1.00000E+00 volume  3.46120E+05 ppm1      6.264 ppm2      5.377 !3

ASSI {215}   (( resid 17   and name  HN  ))   (( resid 17   and name  HA  )) 2.581 0.781 0.781 peak  7483 weight  1.00000E+00 volume  3.01123E+06 ppm1      6.265 ppm2      4.634

ASSI {216}   (( resid 17   and name  HN  ))   (( resid 39   and name  HB1 )) 3.249 1.549 1.959 peak  7484 weight  1.00000E+00 volume  3.79203E+05 ppm1      6.260 ppm2      4.339 !1

ASSI {217}   (( resid 17   and name  HN  ))   (( resid 68   and name  HA  )) 3.515 1.815 3.895 peak  7487 weight  1.00000E+00 volume  2.09031E+05 ppm1      6.256 ppm2      3.675 !2

ASSI {218}   (( resid 17   and name  HN  ))   (( resid 17   and name  HB1 )) 2.54 0.84 1.4 peak  7500 weight  1.00000E+00 volume  3.46462E+06 ppm1      6.264 ppm2      1.787 !1

ASSI {219}   (( resid 17   and name  HN  ))   (( resid 20   and name  HB2 )) 3.534 1.834 4.434 peak  7504 weight  1.00000E+00 volume  1.92194E+05 ppm1      6.260 ppm2      1.207 !3

ASSI {220}   (( resid 18   and name  HN  ))   (( resid 19   and name  HN  )) 2.751 1.051 1.731 peak  6476 weight  1.00000E+00 volume  1.67462E+06 ppm1      8.379 ppm2      8.503 !1

ASSI {221}   (( resid 18   and name  HN  ))   (( resid 18   and name  HA2 )) 2.554 0.754 0.754 peak  6485 weight  1.00000E+00 volume  3.29533E+06 ppm1      8.380 ppm2      4.498

ASSI {222}   (( resid 18   and name  HN  ))   (( resid 19   and name  HA  )) 3.243 1.543 3.793 peak  6487 weight  1.00000E+00 volume  3.91329E+05 ppm1      8.381 ppm2      4.204 !2

ASSI {223}   (( resid 18   and name  HN  ))   (( resid 18   and name  HA1 )) 2.52 0.72 0.72 peak  6488 weight  1.00000E+00 volume  3.63792E+06 ppm1      8.380 ppm2      3.832

ASSI {224}   (( resid 18   and name  HN  ))   (( resid 19   and name  HG2 )) 3.071 1.371 6.271 peak  6497 weight  1.00000E+00 volume  5.89515E+05 ppm1      8.379 ppm2      1.912 !3

ASSI {225}   (( resid 18   and name  HN  ))   (( resid 20   and name  HB2 )) 3.09 1.39 5.74 peak  6498 weight  1.00000E+00 volume  5.42332E+05 ppm1      8.383 ppm2      1.237 !4

ASSI {226}   (( resid 18   and name  HN  ))   (( resid 20   and name  HG1 )) 3.239 1.539 5.829 peak  6499 weight  1.00000E+00 volume  3.70192E+05 ppm1      8.373 ppm2      1.457 !3

ASSI {227}   (( resid 18   and name  HN  ))   (  resid 34   and name  HD2#) 3.886 2.186 5.646 peak  6500 weight  1.00000E+00 volume  2.55539E+05 ppm1      8.384 ppm2      0.886 !3

ASSI {228}   (( resid 19   and name  HN  ))   (( resid 18   and name  HA2 )) 2.597 0.797 0.797 peak  6705 weight  1.00000E+00 volume  2.94441E+06 ppm1      8.512 ppm2      4.497

ASSI {229}   (( resid 19   and name  HN  ))   (( resid 18   and name  HA1 )) 2.598 0.798 0.798 peak  6708 weight  1.00000E+00 volume  2.83256E+06 ppm1      8.513 ppm2      3.833

ASSI {230}   (( resid 19   and name  HE  ))   (( resid 19   and name  HN  )) 3.223 1.523 4.612 peak  6702 weight  1.00000E+00 volume  4.27131E+05 ppm1      8.507 ppm2      7.310 !2

ASSI {231}   (( resid 19   and name  HN  ))   (( resid 19   and name  HA  )) 2.723 0.923 0.923 peak  6706 weight  1.00000E+00 volume  1.90323E+06 ppm1      8.512 ppm2      4.188

ASSI {232}   (( resid 19   and name  HN  ))   (  resid 19   and name  HD# ) 2.883 1.183 2.783 peak  6710 weight  1.00000E+00 volume  1.14107E+06 ppm1      8.514 ppm2      3.338 !2

ASSI {233}   (( resid 34   and name  HB2 ))   (( resid 19   and name  HN  )) 2.627 0.927 7.148 peak  6712 weight  1.00000E+00 volume  2.48905E+06 ppm1      8.512 ppm2      1.893 !4

ASSI {234}   (( resid 19   and name  HN  ))   (  resid 34   and name  HD2#) 4.04 2.34 2.79 peak  6717 weight  1.00000E+00 volume  2.18669E+05 ppm1      8.508 ppm2      0.882 !1

ASSI {235}   (( resid 21   and name  HN  ))   (( resid 19   and name  HA  )) 3.486 1.786 4.046 peak  8245 weight  1.00000E+00 volume  2.22668E+05 ppm1      8.932 ppm2      4.196 !3

ASSI {236}   (( resid 22   and name  HN  ))   (( resid 19   and name  HG2 )) 3.311 1.611 7.721 peak  8430 weight  1.00000E+00 volume  3.62393E+05 ppm1      7.544 ppm2      1.933 !3

ASSI {237}   (( resid 20   and name  HN  ))   (( resid 22   and name  HN  )) 3.551 1.851 3.722 peak  7528 weight  1.00000E+00 volume  1.89190E+05 ppm1      8.165 ppm2      7.549 !2

ASSI {238}   (( resid 21   and name  HN  ))   (( resid 20   and name  HA  )) 2.554 0.754 0.754 peak  8237 weight  1.00000E+00 volume  3.34948E+06 ppm1      8.933 ppm2      5.710

ASSI {239}   (( resid 20   and name  HG1 ))   (( resid 21   and name  HN  )) 3.019 1.219 1.219 peak  8261 weight  1.00000E+00 volume  7.13380E+05 ppm1      8.932 ppm2      1.471

ASSI {240}   (( resid 21   and name  HN  ))   (( resid 20   and name  HB1 )) 2.767 1.067 1.497 peak  8262 weight  1.00000E+00 volume  1.57449E+06 ppm1      8.933 ppm2      1.362 !1

ASSI {241}   (( resid 21   and name  HN  ))   (( resid 20   and name  HB2 )) 2.724 0.9245 0.9245 peak  8263 weight  1.00000E+00 volume  1.84010E+06 ppm1      8.933 ppm2      1.215

ASSI {242}   (( resid 20   and name  HG2 ))   (( resid 21   and name  HN  )) 2.872 1.172 3.232 peak  8264 weight  1.00000E+00 volume  1.16860E+06 ppm1      8.933 ppm2      1.103 !2

ASSI {243}   (( resid 20   and name  HG2 ))   (( resid 22   and name  HN  )) 3.265 1.565 3.475 peak  8436 weight  1.00000E+00 volume  3.84959E+05 ppm1      7.545 ppm2      1.111 !2

ASSI {244}   (( resid 20   and name  HN  ))   (( resid 21   and name  HB1 )) 3.389 1.689 3.79 peak  9637 weight  1.00000E+00 volume  2.78747E+05 ppm1      8.183 ppm2      2.402 !2

ASSI {245}   (( resid 21   and name  HN  ))   (  resid 30   and name  HD# ) 3.529 1.829 2.829 peak  8233 weight  1.00000E+00 volume  4.02008E+05 ppm1      8.924 ppm2      6.844 !2

ASSI {246}   (( resid 21   and name  HN  ))   (( resid 22   and name  HA  )) 3.357 1.557 1.557 peak  8243 weight  1.00000E+00 volume  2.94861E+05 ppm1      8.931 ppm2      4.982

ASSI {247}   (( resid 21   and name  HN  ))   (( resid 9    and name  HB  )) 3.535 1.835 2.805 peak  8248 weight  1.00000E+00 volume  1.99631E+05 ppm1      8.935 ppm2      3.521 !1

ASSI {248}   (( resid 21   and name  HN  ))   (( resid 21   and name  HB1 )) 2.97 1.169 1.169 peak  8254 weight  1.00000E+00 volume  8.27586E+05 ppm1      8.932 ppm2      2.398

ASSI {249}   (( resid 21   and name  HN  ))   (( resid 37   and name  HB2 )) 3.284 1.584 6.414 peak  8255 weight  1.00000E+00 volume  3.33746E+05 ppm1      8.931 ppm2      2.626 !4

ASSI {250}   (( resid 21   and name  HN  ))   (  resid 22   and name  HB# ) 3.19 1.49 2.43 peak  8256 weight  1.00000E+00 volume  4.86448E+05 ppm1      8.941 ppm2      2.160 !1

ASSI {251}   (( resid 21   and name  HN  ))   (( resid 34   and name  HG  )) 3.457 1.757 4.097 peak  8259 weight  1.00000E+00 volume  2.30660E+05 ppm1      8.935 ppm2      1.713 !2

ASSI {252}   (( resid 21   and name  HN  ))   (  resid 34   and name  HD2#) 3.135 1.335 1.335 peak  8265 weight  1.00000E+00 volume  1.63411E+06 ppm1      8.931 ppm2      0.870

ASSI {253}   (( resid 21   and name  HN  ))   (  resid 34   and name  HD1#) 3.316 1.516 1.516 peak  8266 weight  1.00000E+00 volume  1.00564E+06 ppm1      8.930 ppm2      0.777

ASSI {254}   (  resid 9    and name  HG2#)   (( resid 21   and name  HN  )) 3.165 1.365 1.365 peak  8267 weight  1.00000E+00 volume  1.51908E+06 ppm1      8.931 ppm2      0.547

ASSI {255}   (  resid 40   and name  HG2#)   (( resid 21   and name  HN  )) 4.035 2.335 3.536 peak  8269 weight  1.00000E+00 volume  2.02807E+05 ppm1      8.921 ppm2      0.256 !1

ASSI {256}   (( resid 21   and name  HN  ))   (  resid 40   and name  HD1#) 4.143 2.443 3.602 peak  8271 weight  1.00000E+00 volume  1.70615E+05 ppm1      8.936 ppm2     -0.587 !1

ASSI {257}   (( resid 21   and name  HN  ))   (( resid 22   and name  HN  )) 3.018 1.218 1.218 peak  8404 weight  1.00000E+00 volume  7.67081E+05 ppm1      7.542 ppm2      8.930

ASSI {258}   (( resid 22   and name  HN  ))   (  resid 21   and name  HE# ) 3.556 1.756 1.756 peak  8413 weight  1.00000E+00 volume  3.60362E+05 ppm1      7.543 ppm2      6.341

ASSI {259}   (( resid 22   and name  HN  ))   (( resid 21   and name  HB2 )) 2.902 1.202 2.192 peak  8423 weight  1.00000E+00 volume  1.04003E+06 ppm1      7.544 ppm2      2.789 !2

ASSI {260}   (( resid 22   and name  HN  ))   (( resid 21   and name  HB1 )) 2.914 1.114 1.114 peak  8426 weight  1.00000E+00 volume  1.02887E+06 ppm1      7.541 ppm2      2.413

ASSI {261}   (( resid 33   and name  HN  ))   (( resid 21   and name  HB1 )) 3.405 1.705 3.795 peak  8500 weight  1.00000E+00 volume  2.52216E+05 ppm1      7.283 ppm2      2.408 !3

ASSI {262}   (( resid 21   and name  HN  ))   (( resid 41   and name  HN  )) 3.257 1.557 4.547 peak  8507 weight  1.00000E+00 volume  3.62278E+05 ppm1      9.037 ppm2      8.918 !2

ASSI {263}   (( resid 25   and name  HN  ))   (  resid 21   and name  HD# ) 3.348 1.648 4.728 peak 11407 weight  1.00000E+00 volume  6.27635E+05 ppm1      8.267 ppm2      6.546 !2

ASSI {264}   (( resid 9    and name  HN  ))   (  resid 22   and name  HB# ) 3.357 1.657 3.618 peak  7427 weight  1.00000E+00 volume  2.73832E+05 ppm1      8.371 ppm2      2.178 !3

ASSI {265}   (( resid 8    and name  HN  ))   (  resid 22   and name  HB# ) 3.546 1.846 2.586 peak  7702 weight  1.00000E+00 volume  1.88911E+05 ppm1      8.465 ppm2      2.179 !1

ASSI {266}   (( resid 23   and name  HN  ))   (( resid 22   and name  HN  )) 2.875 1.175 1.705 peak  8405 weight  1.00000E+00 volume  1.18782E+06 ppm1      7.544 ppm2      8.731 !1

ASSI {267}   (( resid 8    and name  HN  ))   (( resid 22   and name  HN  )) 3.58 1.88 4.18 peak  8407 weight  1.00000E+00 volume  1.72537E+05 ppm1      7.539 ppm2      8.459 !2

ASSI {268}   (( resid 22   and name  HA  ))   (( resid 22   and name  HN  )) 2.776 0.9755 0.9755 peak  8415 weight  1.00000E+00 volume  1.56730E+06 ppm1      7.544 ppm2      4.999

ASSI {269}   (( resid 22   and name  HN  ))   (( resid 23   and name  HB1 )) 3.239 1.539 3.409 peak  8421 weight  1.00000E+00 volume  4.11552E+05 ppm1      7.537 ppm2      3.046 !2

ASSI {270}   (( resid 30   and name  HB2 ))   (( resid 22   and name  HN  )) 3.54 1.84 4.14 peak  8422 weight  1.00000E+00 volume  2.07121E+05 ppm1      7.534 ppm2      2.927 !3

ASSI {271}   (  resid 22   and name  HB# )   (( resid 22   and name  HN  )) 2.445 0.6445 0.6445 peak  8428 weight  1.00000E+00 volume  5.05976E+06 ppm1      7.544 ppm2      2.181

ASSI {272}   (  resid 34   and name  HD2#)   (( resid 22   and name  HN  )) 3.801 2.101 3.251 peak  8437 weight  1.00000E+00 volume  3.57087E+05 ppm1      7.545 ppm2      0.868 !2

ASSI {273}   (  resid 9    and name  HG2#)   (( resid 22   and name  HN  )) 3.508 1.708 1.708 peak  8438 weight  1.00000E+00 volume  6.89981E+05 ppm1      7.542 ppm2      0.543

ASSI {274}   (  resid 8    and name  HG2#)   (( resid 22   and name  HN  )) 4.034 2.334 3.084 peak  8439 weight  1.00000E+00 volume  2.27168E+05 ppm1      7.543 ppm2     -0.555 !1

ASSI {275}   (( resid 23   and name  HN  ))   (  resid 22   and name  HB# ) 2.613 0.813 0.813 peak  8741 weight  1.00000E+00 volume  2.64629E+06 ppm1      8.746 ppm2      2.182

ASSI {276}   (( resid 8    and name  HN  ))   (( resid 23   and name  HB1 )) 3.418 1.718 2.888 peak  7699 weight  1.00000E+00 volume  2.54263E+05 ppm1      8.462 ppm2      3.031 !2

ASSI {277}   (( resid 8    and name  HN  ))   (( resid 23   and name  HN  )) 2.844 1.044 1.044 peak  8720 weight  1.00000E+00 volume  1.26666E+06 ppm1      8.746 ppm2      8.457

ASSI {278}   (( resid 9    and name  HN  ))   (( resid 23   and name  HN  )) 3.309 1.609 2.98 peak  8722 weight  1.00000E+00 volume  3.21941E+05 ppm1      8.751 ppm2      8.351 !2

ASSI {279}   (( resid 23   and name  HN  ))   (( resid 23   and name  HA  )) 2.66 0.86 0.86 peak  8731 weight  1.00000E+00 volume  2.25646E+06 ppm1      8.744 ppm2      4.592

ASSI {280}   (( resid 23   and name  HN  ))   (( resid 8    and name  HA  )) 3.186 1.486 3.065 peak  8732 weight  1.00000E+00 volume  4.36526E+05 ppm1      8.745 ppm2      4.479 !2

ASSI {281}   (( resid 23   and name  HN  ))   (( resid 23   and name  HB1 )) 2.84 1.04 1.04 peak  8737 weight  1.00000E+00 volume  1.25907E+06 ppm1      8.746 ppm2      3.038

ASSI {282}   (( resid 23   and name  HN  ))   (( resid 23   and name  HB2 )) 2.824 1.023 1.023 peak  8739 weight  1.00000E+00 volume  1.33050E+06 ppm1      8.745 ppm2      2.454

ASSI {283}   (( resid 23   and name  HN  ))   (( resid 43   and name  HB1 )) 3.292 1.592 6.562 peak  8743 weight  1.00000E+00 volume  3.38488E+05 ppm1      8.760 ppm2      2.058 !4

ASSI {284}   (( resid 23   and name  HN  ))   (( resid 7    and name  HG1 )) 3.076 1.276 1.276 peak  8745 weight  1.00000E+00 volume  6.08880E+05 ppm1      8.749 ppm2      1.205

ASSI {285}   (( resid 23   and name  HN  ))   (  resid 9    and name  HG2#) 3.564 1.764 1.764 peak  8749 weight  1.00000E+00 volume  5.47114E+05 ppm1      8.752 ppm2      0.550

ASSI {286}   (( resid 23   and name  HN  ))   (  resid 8    and name  HG2#) 3.188 1.388 1.388 peak  8750 weight  1.00000E+00 volume  1.41859E+06 ppm1      8.746 ppm2     -0.559

ASSI {287}   (( resid 24   and name  HN  ))   (( resid 23   and name  HA  )) 2.433 0.6325 0.6325 peak  9065 weight  1.00000E+00 volume  5.23975E+06 ppm1      8.565 ppm2      4.573

ASSI {288}   (( resid 24   and name  HN  ))   (( resid 23   and name  HB1 )) 2.916 1.116 1.116 peak  9069 weight  1.00000E+00 volume  9.96383E+05 ppm1      8.566 ppm2      3.034

ASSI {289}   (( resid 24   and name  HN  ))   (( resid 23   and name  HB2 )) 2.934 1.234 1.655 peak  9072 weight  1.00000E+00 volume  9.19296E+05 ppm1      8.565 ppm2      2.452 !1

ASSI {290}   (( resid 25   and name  HN  ))   (( resid 23   and name  HA  )) 2.591 0.891 2.441 peak 11414 weight  1.00000E+00 volume  3.00546E+06 ppm1      8.266 ppm2      4.572 !2

ASSI {291}   (( resid 25   and name  HN  ))   (( resid 23   and name  HB1 )) 2.78 0.9805 0.9805 peak 11422 weight  1.00000E+00 volume  1.54006E+06 ppm1      8.268 ppm2      3.032

ASSI {292}   (( resid 25   and name  HN  ))   (( resid 23   and name  HB2 )) 2.886 1.186 2.046 peak 11426 weight  1.00000E+00 volume  1.09658E+06 ppm1      8.268 ppm2      2.454 !1

ASSI {293}   (( resid 24   and name  HA  ))   (( resid 7    and name  HN  )) 3.37 1.67 2.62 peak  7128 weight  1.00000E+00 volume  2.93775E+05 ppm1      8.604 ppm2      5.273 !2

ASSI {294}   (( resid 24   and name  HB2 ))   (( resid 7    and name  HN  )) 3.476 1.776 2.826 peak  7139 weight  1.00000E+00 volume  2.18553E+05 ppm1      8.599 ppm2      2.550 !2

ASSI {295}   (( resid 24   and name  HN  ))   (( resid 24   and name  HA  )) 2.897 1.097 1.097 peak  9061 weight  1.00000E+00 volume  1.06555E+06 ppm1      8.566 ppm2      5.265

ASSI {296}   (( resid 26   and name  HA  ))   (( resid 24   and name  HN  )) 3.116 1.416 5.996 peak  9062 weight  1.00000E+00 volume  5.50961E+05 ppm1      8.560 ppm2      4.910 !3

ASSI {297}   (( resid 25   and name  HB2 ))   (( resid 24   and name  HN  )) 3.514 1.714 1.714 peak  9070 weight  1.00000E+00 volume  2.00889E+05 ppm1      8.564 ppm2      3.157

ASSI {298}   (( resid 24   and name  HN  ))   (( resid 7    and name  HD1 )) 3.318 1.618 3.338 peak  9075 weight  1.00000E+00 volume  3.22587E+05 ppm1      8.557 ppm2      1.431 !1

ASSI {299}   (( resid 24   and name  HN  ))   (( resid 7    and name  HG1 )) 3.444 1.644 1.644 peak  9077 weight  1.00000E+00 volume  2.41662E+05 ppm1      8.564 ppm2      1.202

ASSI {300}   (( resid 24   and name  HN  ))   (  resid 8    and name  HG2#) 4.009 2.209 2.209 peak  9078 weight  1.00000E+00 volume  2.25360E+05 ppm1      8.557 ppm2     -0.557

ASSI {301}   (( resid 25   and name  HN  ))   (( resid 24   and name  HN  )) 2.382 0.682 1.282 peak 11395 weight  1.00000E+00 volume  6.53376E+06 ppm1      8.268 ppm2      8.561 !1

ASSI {302}   (( resid 25   and name  HN  ))   (( resid 24   and name  HA  )) 2.72 0.92 0.92 peak 11408 weight  1.00000E+00 volume  1.89796E+06 ppm1      8.267 ppm2      5.268

ASSI {303}   (( resid 85   and name  HN  ))   (( resid 25   and name  HN  )) 2.414 0.714 4.144 peak  5770 weight  1.00000E+00 volume  5.72776E+06 ppm1      8.239 ppm2      8.235 !3

ASSI {304}   (( resid 85   and name  HN  ))   (( resid 25   and name  HA  )) 2.71 1.01 3.17 peak  5779 weight  1.00000E+00 volume  1.85074E+06 ppm1      8.235 ppm2      4.940 !2

ASSI {305}   (( resid 25   and name  HB1 ))   (( resid 27   and name  HN  )) 3.406 1.706 4.166 peak  6825 weight  1.00000E+00 volume  2.70824E+05 ppm1      9.468 ppm2      3.250 !3

ASSI {306}   (( resid 8    and name  HN  ))   (( resid 25   and name  HB1 )) 3.483 1.783 6.283 peak  7698 weight  1.00000E+00 volume  2.31821E+05 ppm1      8.460 ppm2      3.270 !3

ASSI {307}   (( resid 25   and name  HN  ))   (  resid 6    and name  HG2#) 4.052 2.352 4.122 peak  9460 weight  1.00000E+00 volume  2.14067E+05 ppm1      8.264 ppm2      0.992 !2

ASSI {308}   (( resid 25   and name  HN  ))   (( resid 47   and name  HE3 )) 3.384 1.684 3.774 peak 11400 weight  1.00000E+00 volume  2.92461E+05 ppm1      8.263 ppm2      7.193 !3

ASSI {309}   (( resid 25   and name  HN  ))   (( resid 47   and name  HZ2 )) 2.981 1.281 1.851 peak 11401 weight  1.00000E+00 volume  8.47344E+05 ppm1      8.268 ppm2      6.960 !1

ASSI {310}   (( resid 25   and name  HN  ))   (( resid 47   and name  HH2 )) 2.788 0.9875 0.9875 peak 11404 weight  1.00000E+00 volume  1.51728E+06 ppm1      8.265 ppm2      6.650

ASSI {311}   (( resid 25   and name  HN  ))   (  resid 85   and name  HB# ) 3.744 1.943 1.943 peak 11435 weight  1.00000E+00 volume  4.07587E+05 ppm1      8.267 ppm2      0.132

ASSI {312}   (( resid 25   and name  HN  ))   (( resid 25   and name  HA  )) 2.668 0.868 0.868 peak 13052 weight  1.00000E+00 volume  2.24732E+06 ppm1      8.267 ppm2      4.923

ASSI {313}   (( resid 25   and name  HB2 ))   (( resid 25   and name  HN  )) 2.804 1.004 1.004 peak 13061 weight  1.00000E+00 volume  1.41750E+06 ppm1      8.268 ppm2      3.150

ASSI {314}   (( resid 25   and name  HN  ))   (( resid 7    and name  HD2 )) 3.357 1.657 5.007 peak 13069 weight  1.00000E+00 volume  2.87680E+05 ppm1      8.271 ppm2      1.470 !3

ASSI {315}   (( resid 25   and name  HN  ))   (( resid 7    and name  HG1 )) 3.466 1.766 3.116 peak 13070 weight  1.00000E+00 volume  2.23950E+05 ppm1      8.266 ppm2      1.195 !2

ASSI {316}   (( resid 25   and name  HN  ))   (  resid 8    and name  HG2#) 3.56 1.76 1.76 peak 13073 weight  1.00000E+00 volume  5.71018E+05 ppm1      8.268 ppm2     -0.559

ASSI {317}   (( resid 85   and name  HN  ))   (  resid 26   and name  HB# ) 3.247 1.446 1.446 peak  5782 weight  1.00000E+00 volume  3.93511E+05 ppm1      8.235 ppm2      2.904

ASSI {318}   (( resid 26   and name  HA  ))   (( resid 27   and name  HN  )) 2.708 0.908 0.908 peak  6822 weight  1.00000E+00 volume  1.90408E+06 ppm1      9.464 ppm2      4.897

ASSI {319}   (  resid 26   and name  HB# )   (( resid 27   and name  HN  )) 2.783 0.983 0.983 peak  6827 weight  1.00000E+00 volume  1.49503E+06 ppm1      9.464 ppm2      2.890

ASSI {320}   (( resid 26   and name  HN  ))   (( resid 27   and name  HN  )) 3.055 1.355 2.355 peak  7526 weight  1.00000E+00 volume  7.33346E+05 ppm1      8.162 ppm2      9.459 !2

ASSI {321}   (( resid 84   and name  HN  ))   (( resid 26   and name  HN  )) 3.607 1.907 4.417 peak  7527 weight  1.00000E+00 volume  1.61428E+05 ppm1      8.166 ppm2     10.082 !2

ASSI {322}   (( resid 26   and name  HN  ))   (( resid 47   and name  HZ3 )) 3.154 1.454 1.864 peak  7531 weight  1.00000E+00 volume  5.04124E+05 ppm1      8.162 ppm2      6.858 !1

ASSI {323}   (( resid 26   and name  HN  ))   (( resid 26   and name  HA  )) 2.556 0.756 0.756 peak  7537 weight  1.00000E+00 volume  3.18217E+06 ppm1      8.164 ppm2      4.876

ASSI {324}   (( resid 26   and name  HN  ))   (  resid 26   and name  HB# ) 2.489 0.689 0.689 peak  7546 weight  1.00000E+00 volume  4.24922E+06 ppm1      8.165 ppm2      2.886

ASSI {325}   (( resid 26   and name  HN  ))   (  resid 85   and name  HB# ) 3.478 1.678 1.678 peak  7548 weight  1.00000E+00 volume  7.14242E+05 ppm1      8.165 ppm2      0.132

ASSI {326}   (  resid 26   and name  HB# )   (( resid 28   and name  HN  )) 3.354 1.654 3.444 peak  8983 weight  1.00000E+00 volume  3.01263E+05 ppm1      9.241 ppm2      2.888 !2

ASSI {327}   (( resid 85   and name  HN  ))   (( resid 27   and name  HN  )) 3.354 1.654 3.744 peak  5772 weight  1.00000E+00 volume  3.03099E+05 ppm1      8.238 ppm2      9.479 !3

ASSI {328}   (( resid 29   and name  HN  ))   (( resid 27   and name  HA  )) 2.695 0.995 2.755 peak  6072 weight  1.00000E+00 volume  2.07502E+06 ppm1      7.627 ppm2      5.016 !2

ASSI {329}   (( resid 29   and name  HN  ))   (  resid 27   and name  HB# ) 3.006 1.306 1.916 peak  6081 weight  1.00000E+00 volume  7.66542E+05 ppm1      7.629 ppm2      3.447 !1

ASSI {330}   (( resid 27   and name  HN  ))   (  resid 55   and name  HE# ) 3.524 1.724 1.724 peak  6813 weight  1.00000E+00 volume  3.95041E+05 ppm1      9.466 ppm2      7.408

ASSI {331}   (( resid 27   and name  HN  ))   (( resid 84   and name  HE  )) 3.485 1.785 3.785 peak  6819 weight  1.00000E+00 volume  2.22645E+05 ppm1      9.469 ppm2      6.573 !2

ASSI {332}   (( resid 27   and name  HA  ))   (( resid 27   and name  HN  )) 2.931 1.131 1.131 peak  6821 weight  1.00000E+00 volume  9.19443E+05 ppm1      9.462 ppm2      5.017

ASSI {333}   (( resid 27   and name  HN  ))   (  resid 27   and name  HB# ) 2.792 0.992 0.992 peak  6823 weight  1.00000E+00 volume  1.43284E+06 ppm1      9.466 ppm2      3.443

ASSI {334}   (( resid 28   and name  HA  ))   (( resid 27   and name  HN  )) 3.252 1.452 1.452 peak  6824 weight  1.00000E+00 volume  3.77327E+05 ppm1      9.461 ppm2      3.656

ASSI {335}   (( resid 29   and name  HB1 ))   (( resid 27   and name  HN  )) 3.269 1.569 5.61 peak  6826 weight  1.00000E+00 volume  3.70453E+05 ppm1      9.466 ppm2      3.007 !2

ASSI {336}   (( resid 27   and name  HN  ))   (  resid 84   and name  HD# ) 3.387 1.687 2.527 peak  6828 weight  1.00000E+00 volume  2.90635E+05 ppm1      9.464 ppm2      2.377 !1

ASSI {337}   (( resid 27   and name  HN  ))   (  resid 84   and name  HB# ) 3.255 1.555 3.564 peak  6830 weight  1.00000E+00 volume  3.94023E+05 ppm1      9.461 ppm2      1.686 !2

ASSI {338}   (( resid 27   and name  HN  ))   (  resid 28   and name  HB# ) 3.591 1.792 1.792 peak  6831 weight  1.00000E+00 volume  5.26743E+05 ppm1      9.465 ppm2      1.382

ASSI {339}   (( resid 27   and name  HN  ))   (  resid 48   and name  HB# ) 3.838 2.138 4.028 peak  6833 weight  1.00000E+00 volume  3.20014E+05 ppm1      9.464 ppm2      1.098 !3

ASSI {340}   (( resid 27   and name  HN  ))   (  resid 8    and name  HG2#) 3.995 2.295 4.156 peak  6836 weight  1.00000E+00 volume  2.44039E+05 ppm1      9.466 ppm2     -0.576 !2

ASSI {341}   (( resid 28   and name  HN  ))   (( resid 27   and name  HN  )) 3.113 1.313 1.313 peak  8966 weight  1.00000E+00 volume  5.83698E+05 ppm1      9.242 ppm2      9.468

ASSI {342}   (( resid 28   and name  HN  ))   (( resid 27   and name  HA  )) 2.49 0.79 1.359 peak  8972 weight  1.00000E+00 volume  4.25192E+06 ppm1      9.244 ppm2      5.012 !1

ASSI {343}   (( resid 28   and name  HN  ))   (  resid 27   and name  HB# ) 2.896 1.096 1.096 peak  8978 weight  1.00000E+00 volume  1.06833E+06 ppm1      9.242 ppm2      3.443

ASSI {344}   (( resid 54   and name  HN  ))   (  resid 27   and name  HB# ) 3.45 1.75 4.401 peak  9170 weight  1.00000E+00 volume  2.33008E+05 ppm1      9.945 ppm2      3.433 !3

ASSI {345}   (( resid 29   and name  HN  ))   (( resid 28   and name  HN  )) 2.49 0.6895 0.6895 peak  6069 weight  1.00000E+00 volume  4.33165E+06 ppm1      7.627 ppm2      9.239

ASSI {346}   (( resid 29   and name  HN  ))   (( resid 28   and name  HA  )) 2.821 1.021 1.021 peak  6080 weight  1.00000E+00 volume  1.34644E+06 ppm1      7.628 ppm2      3.658

ASSI {347}   (( resid 29   and name  HN  ))   (  resid 28   and name  HB# ) 2.814 1.014 1.014 peak  6089 weight  1.00000E+00 volume  4.25808E+06 ppm1      7.625 ppm2      1.386

ASSI {348}   (( resid 55   and name  HN  ))   (  resid 28   and name  HB# ) 3.522 1.822 2.282 peak  6331 weight  1.00000E+00 volume  6.11727E+05 ppm1      7.426 ppm2      1.392 !1

ASSI {349}   (( resid 28   and name  HN  ))   (( resid 55   and name  HZ  )) 3.258 1.558 2.048 peak  8970 weight  1.00000E+00 volume  4.16346E+05 ppm1      9.242 ppm2      7.182 !1

ASSI {350}   (( resid 28   and name  HA  ))   (( resid 28   and name  HN  )) 2.864 1.064 1.064 peak  8977 weight  1.00000E+00 volume  1.18588E+06 ppm1      9.244 ppm2      3.660

ASSI {351}   (( resid 28   and name  HN  ))   (( resid 54   and name  HA  )) 3.299 1.599 3.299 peak  8980 weight  1.00000E+00 volume  3.76000E+05 ppm1      9.244 ppm2      3.233 !2

ASSI {352}   (( resid 29   and name  HB1 ))   (( resid 28   and name  HN  )) 3.324 1.624 2.274 peak  8982 weight  1.00000E+00 volume  3.31332E+05 ppm1      9.241 ppm2      2.997 !1

ASSI {353}   (( resid 30   and name  HB1 ))   (( resid 28   and name  HN  )) 3.401 1.701 2.631 peak  8985 weight  1.00000E+00 volume  2.62507E+05 ppm1      9.246 ppm2      2.689 !1

ASSI {354}   (( resid 28   and name  HN  ))   (  resid 28   and name  HB# ) 2.745 0.9455 0.9455 peak  8988 weight  1.00000E+00 volume  5.22141E+06 ppm1      9.243 ppm2      1.388

ASSI {355}   (( resid 28   and name  HA  ))   (( resid 54   and name  HN  )) 3.213 1.413 1.413 peak  9167 weight  1.00000E+00 volume  4.31471E+05 ppm1      9.942 ppm2      3.649

ASSI {356}   (( resid 54   and name  HN  ))   (  resid 28   and name  HB# ) 3.24 1.54 1.97 peak  9178 weight  1.00000E+00 volume  1.22959E+06 ppm1      9.932 ppm2      1.393 !1

ASSI {357}   (( resid 29   and name  HN  ))   (  resid 55   and name  HE# ) 3.437 1.737 2.377 peak  6065 weight  1.00000E+00 volume  5.07923E+05 ppm1      7.632 ppm2      7.391 !1

ASSI {358}   (( resid 31   and name  HN  ))   (( resid 29   and name  HN  )) 3.293 1.593 2.343 peak  6067 weight  1.00000E+00 volume  3.73545E+05 ppm1      7.625 ppm2      8.733 !1

ASSI {359}   (( resid 29   and name  HN  ))   (( resid 30   and name  HN  )) 2.915 1.115 1.115 peak  6068 weight  1.00000E+00 volume  1.03002E+06 ppm1      7.625 ppm2      8.618

ASSI {360}   (( resid 29   and name  HN  ))   (( resid 54   and name  HN  )) 3.365 1.665 2.155 peak  6070 weight  1.00000E+00 volume  3.08558E+05 ppm1      7.626 ppm2      9.940 !1

ASSI {361}   (( resid 29   and name  HN  ))   (( resid 54   and name  HA  )) 3.224 1.524 2.844 peak  6083 weight  1.00000E+00 volume  4.24125E+05 ppm1      7.627 ppm2      3.234 !2

ASSI {362}   (( resid 29   and name  HN  ))   (( resid 29   and name  HB1 )) 2.704 0.9035 0.9035 peak  6084 weight  1.00000E+00 volume  2.04378E+06 ppm1      7.628 ppm2      3.012

ASSI {363}   (( resid 29   and name  HN  ))   (( resid 29   and name  HB2 )) 2.653 0.953 1.603 peak  6085 weight  1.00000E+00 volume  2.32822E+06 ppm1      7.626 ppm2      2.685 !1

ASSI {364}   (( resid 31   and name  HN  ))   (( resid 29   and name  HB2 )) 3.317 1.617 2.058 peak  7965 weight  1.00000E+00 volume  3.11083E+05 ppm1      8.744 ppm2      2.660 !1

ASSI {365}   (( resid 29   and name  HA  ))   (( resid 30   and name  HN  )) 2.703 0.9025 0.9025 peak  9343 weight  1.00000E+00 volume  1.97127E+06 ppm1      8.628 ppm2      4.876

ASSI {366}   (( resid 29   and name  HB2 ))   (( resid 30   and name  HN  )) 3.01 1.31 1.83 peak  9354 weight  1.00000E+00 volume  7.25381E+05 ppm1      8.624 ppm2      2.678 !1

ASSI {367}   (( resid 80   and name  HN  ))   (  resid 30   and name  HE# ) 3.961 2.161 2.161 peak  7778 weight  1.00000E+00 volume  1.70899E+05 ppm1      7.149 ppm2      6.391

ASSI {368}   (( resid 31   and name  HN  ))   (( resid 30   and name  HN  )) 2.674 0.874 0.874 peak  7946 weight  1.00000E+00 volume  2.20913E+06 ppm1      8.745 ppm2      8.622

ASSI {369}   (( resid 31   and name  HN  ))   (  resid 30   and name  HD# ) 3.715 1.914 1.914 peak  7953 weight  1.00000E+00 volume  2.56375E+05 ppm1      8.746 ppm2      6.855

ASSI {370}   (( resid 31   and name  HN  ))   (( resid 30   and name  HA  )) 2.986 1.186 1.186 peak  7955 weight  1.00000E+00 volume  8.18114E+05 ppm1      8.742 ppm2      5.060

ASSI {371}   (( resid 31   and name  HN  ))   (( resid 30   and name  HB1 )) 3.312 1.512 1.512 peak  7966 weight  1.00000E+00 volume  3.24711E+05 ppm1      8.747 ppm2      2.713

ASSI {372}   (( resid 33   and name  HN  ))   (  resid 30   and name  HD# ) 3.376 1.576 1.576 peak  8488 weight  1.00000E+00 volume  5.37514E+05 ppm1      7.278 ppm2      6.864

ASSI {373}   (( resid 30   and name  HA  ))   (( resid 33   and name  HN  )) 3.213 1.413 1.413 peak  8490 weight  1.00000E+00 volume  4.21609E+05 ppm1      7.273 ppm2      5.075

ASSI {374}   (( resid 30   and name  HB2 ))   (( resid 33   and name  HN  )) 3.253 1.453 1.453 peak  8497 weight  1.00000E+00 volume  3.97575E+05 ppm1      7.277 ppm2      2.917

ASSI {375}   (( resid 32   and name  HN  ))   (( resid 30   and name  HN  )) 3.131 1.331 1.331 peak  9082 weight  1.00000E+00 volume  5.62516E+05 ppm1      7.631 ppm2      8.612

ASSI {376}   (( resid 30   and name  HA  ))   (( resid 32   and name  HN  )) 3.037 1.237 1.237 peak  9090 weight  1.00000E+00 volume  6.89748E+05 ppm1      7.633 ppm2      5.050

ASSI {377}   (( resid 30   and name  HB1 ))   (( resid 32   and name  HN  )) 3.408 1.708 3.148 peak  9099 weight  1.00000E+00 volume  2.62518E+05 ppm1      7.635 ppm2      2.701 !2

ASSI {378}   (( resid 81   and name  HN  ))   (  resid 30   and name  HE# ) 3.664 1.864 1.864 peak  9219 weight  1.00000E+00 volume  2.91098E+05 ppm1      8.728 ppm2      6.391

ASSI {379}   (( resid 30   and name  HN  ))   (  resid 30   and name  HD# ) 3.444 1.643 1.643 peak  9340 weight  1.00000E+00 volume  4.79145E+05 ppm1      8.629 ppm2      6.837

ASSI {380}   (( resid 30   and name  HA  ))   (( resid 30   and name  HN  )) 2.985 1.185 1.185 peak  9342 weight  1.00000E+00 volume  7.72758E+05 ppm1      8.626 ppm2      5.044

ASSI {381}   (( resid 30   and name  HB2 ))   (( resid 30   and name  HN  )) 3.159 1.359 1.359 peak  9353 weight  1.00000E+00 volume  4.83892E+05 ppm1      8.629 ppm2      2.899

ASSI {382}   (( resid 30   and name  HB1 ))   (( resid 30   and name  HN  )) 3.147 1.347 1.347 peak  9355 weight  1.00000E+00 volume  4.87539E+05 ppm1      8.629 ppm2      2.721

ASSI {383}   (( resid 30   and name  HN  ))   (( resid 53   and name  HG2 )) 3.367 1.667 4.187 peak  9357 weight  1.00000E+00 volume  2.86484E+05 ppm1      8.620 ppm2      1.726 !3

ASSI {384}   (( resid 34   and name  HN  ))   (  resid 30   and name  HD# ) 3.294 1.494 1.494 peak  9683 weight  1.00000E+00 volume  7.13167E+05 ppm1      7.318 ppm2      6.849

ASSI {385}   (( resid 30   and name  HA  ))   (( resid 34   and name  HN  )) 3.367 1.667 2.087 peak  9686 weight  1.00000E+00 volume  2.90929E+05 ppm1      7.309 ppm2      5.056 !1

ASSI {386}   (( resid 30   and name  HB2 ))   (( resid 34   and name  HN  )) 3.458 1.758 3.119 peak  9695 weight  1.00000E+00 volume  2.37598E+05 ppm1      7.310 ppm2      2.912 !2

ASSI {387}   (( resid 31   and name  HN  ))   (( resid 33   and name  HN  )) 3.072 1.272 1.272 peak  7950 weight  1.00000E+00 volume  6.49303E+05 ppm1      8.746 ppm2      7.288

ASSI {388}   (( resid 31   and name  HN  ))   (( resid 31   and name  HD2 )) 3.284 1.584 2.594 peak  7951 weight  1.00000E+00 volume  3.45986E+05 ppm1      8.739 ppm2      7.106 !2

ASSI {389}   (( resid 31   and name  HN  ))   (( resid 31   and name  HB1 )) 2.722 0.922 0.922 peak  7959 weight  1.00000E+00 volume  1.83336E+06 ppm1      8.745 ppm2      3.562

ASSI {390}   (( resid 31   and name  HN  ))   (( resid 81   and name  HB1 )) 3.003 1.303 3.513 peak  7964 weight  1.00000E+00 volume  7.94751E+05 ppm1      8.747 ppm2      2.972 !3

ASSI {391}   (( resid 31   and name  HN  ))   (  resid 32   and name  HG2#) 3.644 1.845 1.845 peak  7971 weight  1.00000E+00 volume  4.71817E+05 ppm1      8.748 ppm2      0.549

ASSI {392}   (( resid 31   and name  HD2 ))   (( resid 33   and name  HN  )) 3.444 1.744 2.593 peak  8483 weight  1.00000E+00 volume  2.34588E+05 ppm1      7.273 ppm2      7.137 !1

ASSI {393}   (( resid 33   and name  HN  ))   (( resid 31   and name  HA  )) 3.23 1.43 1.43 peak  8491 weight  1.00000E+00 volume  4.00903E+05 ppm1      7.280 ppm2      4.853

ASSI {394}   (( resid 31   and name  HN  ))   (( resid 32   and name  HN  )) 2.679 0.8785 0.8785 peak  9081 weight  1.00000E+00 volume  2.13603E+06 ppm1      7.632 ppm2      8.743

ASSI {395}   (( resid 31   and name  HA  ))   (( resid 32   and name  HN  )) 2.985 1.185 1.185 peak  9091 weight  1.00000E+00 volume  8.09930E+05 ppm1      7.634 ppm2      4.853

ASSI {396}   (( resid 32   and name  HN  ))   (( resid 31   and name  HB1 )) 2.776 0.976 0.976 peak  9097 weight  1.00000E+00 volume  1.44995E+06 ppm1      7.632 ppm2      3.553

ASSI {397}   (( resid 54   and name  HN  ))   (( resid 31   and name  HB1 )) 3.525 1.825 4.045 peak  9171 weight  1.00000E+00 volume  1.89039E+05 ppm1      9.940 ppm2      3.569 !3

ASSI {398}   (( resid 31   and name  HN  ))   (( resid 34   and name  HN  )) 3.424 1.624 1.624 peak  9678 weight  1.00000E+00 volume  2.70231E+05 ppm1      7.317 ppm2      8.742

ASSI {399}   (( resid 34   and name  HN  ))   (( resid 31   and name  HB1 )) 3.303 1.603 2.603 peak  9693 weight  1.00000E+00 volume  3.49543E+05 ppm1      7.321 ppm2      3.559 !1

ASSI {400}   (( resid 33   and name  HN  ))   (( resid 32   and name  HA  )) 2.785 0.985 0.985 peak  8494 weight  1.00000E+00 volume  1.49399E+06 ppm1      7.271 ppm2      3.642

ASSI {401}   (( resid 33   and name  HN  ))   (  resid 32   and name  HG2#) 3.324 1.523 1.523 peak  8503 weight  1.00000E+00 volume  9.91661E+05 ppm1      7.275 ppm2      0.542

ASSI {402}   (( resid 33   and name  HN  ))   (( resid 32   and name  HN  )) 2.485 0.685 0.685 peak  9083 weight  1.00000E+00 volume  4.30954E+06 ppm1      7.634 ppm2      7.278

ASSI {403}   (( resid 32   and name  HN  ))   (( resid 34   and name  HA  )) 3.497 1.797 3.367 peak  9092 weight  1.00000E+00 volume  2.16021E+05 ppm1      7.639 ppm2      4.630 !2

ASSI {404}   (( resid 32   and name  HN  ))   (( resid 33   and name  HA  )) 3.211 1.511 2.201 peak  9094 weight  1.00000E+00 volume  4.40477E+05 ppm1      7.631 ppm2      4.423 !1

ASSI {405}   (( resid 32   and name  HN  ))   (( resid 32   and name  HA  )) 2.41 0.61 0.61 peak  9096 weight  1.00000E+00 volume  5.80714E+06 ppm1      7.634 ppm2      3.640

ASSI {406}   (( resid 81   and name  HB2 ))   (( resid 32   and name  HN  )) 3.343 1.643 3.593 peak  9098 weight  1.00000E+00 volume  3.07283E+05 ppm1      7.630 ppm2      3.324 !2

ASSI {407}   (( resid 32   and name  HN  ))   (( resid 33   and name  HB1 )) 3.09 1.39 4.04 peak  9102 weight  1.00000E+00 volume  6.38163E+05 ppm1      7.635 ppm2      2.240 !3

ASSI {408}   (( resid 34   and name  HB2 ))   (( resid 32   and name  HN  )) 3.413 1.713 3.453 peak  9103 weight  1.00000E+00 volume  2.60692E+05 ppm1      7.632 ppm2      1.886 !1

ASSI {409}   (( resid 32   and name  HN  ))   (  resid 32   and name  HG2#) 2.722 0.922 0.922 peak  9104 weight  1.00000E+00 volume  5.70602E+06 ppm1      7.634 ppm2      0.545

ASSI {410}   (( resid 32   and name  HN  ))   (( resid 34   and name  HN  )) 2.955 1.155 1.155 peak  9677 weight  1.00000E+00 volume  8.69077E+05 ppm1      7.315 ppm2      7.626

ASSI {411}   (( resid 34   and name  HN  ))   (( resid 32   and name  HA  )) 3.051 1.251 1.251 peak  9692 weight  1.00000E+00 volume  6.75089E+05 ppm1      7.313 ppm2      3.647

ASSI {412}   (( resid 35   and name  HN  ))   (( resid 33   and name  HB2 )) 3.417 1.717 3.417 peak  5945 weight  1.00000E+00 volume  2.78393E+05 ppm1      9.601 ppm2      3.113 !2

ASSI {413}   (( resid 33   and name  HN  ))   (  resid 33   and name  HD# ) 3.248 1.449 1.449 peak  8487 weight  1.00000E+00 volume  7.49711E+05 ppm1      7.273 ppm2      6.768

ASSI {414}   (( resid 33   and name  HN  ))   (( resid 33   and name  HA  )) 2.744 0.9445 0.9445 peak  8493 weight  1.00000E+00 volume  1.66857E+06 ppm1      7.275 ppm2      4.424

ASSI {415}   (( resid 33   and name  HN  ))   (( resid 33   and name  HB1 )) 2.792 0.9925 0.9925 peak  8499 weight  1.00000E+00 volume  1.46041E+06 ppm1      7.274 ppm2      2.242

ASSI {416}   (( resid 34   and name  HB1 ))   (( resid 33   and name  HN  )) 3.334 1.534 1.534 peak  8502 weight  1.00000E+00 volume  3.14748E+05 ppm1      7.280 ppm2      1.295

ASSI {417}   (  resid 34   and name  HD1#)   (( resid 33   and name  HN  )) 4.033 2.233 2.233 peak  8504 weight  1.00000E+00 volume  2.04131E+05 ppm1      7.283 ppm2      0.794

ASSI {418}   (  resid 33   and name  HD# )   (( resid 34   and name  HN  )) 3.3 1.5 1.5 peak  9684 weight  1.00000E+00 volume  6.87332E+05 ppm1      7.315 ppm2      6.754

ASSI {419}   (( resid 34   and name  HN  ))   (( resid 33   and name  HA  )) 2.881 1.081 1.081 peak  9690 weight  1.00000E+00 volume  1.07933E+06 ppm1      7.318 ppm2      4.422

ASSI {420}   (( resid 34   and name  HN  ))   (( resid 33   and name  HB1 )) 2.886 1.087 1.087 peak  9698 weight  1.00000E+00 volume  1.10111E+06 ppm1      7.317 ppm2      2.243

ASSI {421}   (( resid 33   and name  HN  ))   (( resid 34   and name  HN  )) 2.329 0.529 0.529 peak 11533 weight  1.00000E+00 volume  7.48343E+06 ppm1      7.320 ppm2      7.264

ASSI {422}   (( resid 35   and name  HN  ))   (( resid 34   and name  HA  )) 2.487 0.687 0.687 peak  5942 weight  1.00000E+00 volume  4.27346E+06 ppm1      9.605 ppm2      4.605

ASSI {423}   (( resid 35   and name  HN  ))   (( resid 34   and name  HB1 )) 3.038 1.238 1.238 peak  5951 weight  1.00000E+00 volume  7.24964E+05 ppm1      9.607 ppm2      1.288

ASSI {424}   (( resid 35   and name  HN  ))   (  resid 34   and name  HD2#) 3.49 1.69 1.69 peak  5952 weight  1.00000E+00 volume  6.59815E+05 ppm1      9.603 ppm2      0.867

ASSI {425}   (( resid 35   and name  HN  ))   (  resid 34   and name  HD1#) 3.67 1.869 1.869 peak  5953 weight  1.00000E+00 volume  4.28231E+05 ppm1      9.607 ppm2      0.768

ASSI {426}   (( resid 36   and name  HN  ))   (( resid 34   and name  HA  )) 2.721 0.921 0.921 peak  7077 weight  1.00000E+00 volume  1.86597E+06 ppm1      7.958 ppm2      4.607

ASSI {427}   (( resid 36   and name  HN  ))   (( resid 34   and name  HB2 )) 2.789 1.089 1.769 peak  7090 weight  1.00000E+00 volume  1.42375E+06 ppm1      7.957 ppm2      1.889 !1

ASSI {428}   (( resid 36   and name  HN  ))   (( resid 34   and name  HG  )) 2.6 0.8005 0.8005 peak  7091 weight  1.00000E+00 volume  2.69862E+06 ppm1      7.955 ppm2      1.706

ASSI {429}   (( resid 36   and name  HN  ))   (( resid 34   and name  HB1 )) 2.983 1.183 1.183 peak  7093 weight  1.00000E+00 volume  8.21000E+05 ppm1      7.958 ppm2      1.304

ASSI {430}   (( resid 36   and name  HN  ))   (  resid 34   and name  HD1#) 3.421 1.621 1.621 peak  7095 weight  1.00000E+00 volume  7.65518E+05 ppm1      7.954 ppm2      0.785

ASSI {431}   (( resid 39   and name  HN  ))   (( resid 34   and name  HB1 )) 3.481 1.781 7.701 peak  8018 weight  1.00000E+00 volume  2.15505E+05 ppm1      8.393 ppm2      1.298 !2

ASSI {432}   (( resid 39   and name  HN  ))   (  resid 34   and name  HD1#) 3.61 1.91 5.73 peak  8020 weight  1.00000E+00 volume  5.07381E+05 ppm1      8.398 ppm2      0.762 !4

ASSI {433}   (( resid 37   and name  HN  ))   (  resid 34   and name  HD1#) 3.729 2.029 2.429 peak  9033 weight  1.00000E+00 volume  3.67684E+05 ppm1      9.782 ppm2      0.792 !1

ASSI {434}   (( resid 35   and name  HN  ))   (( resid 34   and name  HN  )) 3.185 1.385 1.385 peak  9679 weight  1.00000E+00 volume  4.61273E+05 ppm1      7.321 ppm2      9.600

ASSI {435}   (( resid 34   and name  HN  ))   (( resid 34   and name  HA  )) 2.764 0.9635 0.9635 peak  9688 weight  1.00000E+00 volume  1.61387E+06 ppm1      7.316 ppm2      4.605

ASSI {436}   (( resid 34   and name  HN  ))   (  resid 35   and name  HB# ) 3.332 1.632 2.302 peak  9691 weight  1.00000E+00 volume  3.34735E+05 ppm1      7.317 ppm2      3.956 !1

ASSI {437}   (( resid 34   and name  HB1 ))   (( resid 34   and name  HN  )) 2.835 1.035 1.035 peak  9701 weight  1.00000E+00 volume  1.28293E+06 ppm1      7.317 ppm2      1.294

ASSI {438}   (  resid 34   and name  HD1#)   (( resid 34   and name  HN  )) 3.667 1.866 1.866 peak  9703 weight  1.00000E+00 volume  4.29040E+05 ppm1      7.316 ppm2      0.784

ASSI {439}   (  resid 34   and name  HD2#)   (( resid 34   and name  HN  )) 3.606 1.806 1.806 peak  9704 weight  1.00000E+00 volume  5.07517E+05 ppm1      7.323 ppm2      0.862

ASSI {440}   (( resid 35   and name  HN  ))   (( resid 36   and name  HE  )) 3.154 1.454 4.433 peak  5939 weight  1.00000E+00 volume  5.26404E+05 ppm1      9.600 ppm2      6.784 !3

ASSI {441}   (( resid 35   and name  HN  ))   (( resid 35   and name  HA  )) 2.703 0.9025 0.9025 peak  5943 weight  1.00000E+00 volume  1.98398E+06 ppm1      9.604 ppm2      4.488

ASSI {442}   (( resid 35   and name  HN  ))   (  resid 35   and name  HB# ) 2.625 0.825 0.825 peak  5944 weight  1.00000E+00 volume  2.51275E+06 ppm1      9.606 ppm2      3.950

ASSI {443}   (( resid 35   and name  HN  ))   (( resid 36   and name  HG2 )) 3.233 1.533 3.683 peak  5950 weight  1.00000E+00 volume  4.10778E+05 ppm1      9.601 ppm2      1.547 !2

ASSI {444}   (( resid 35   and name  HN  ))   (( resid 36   and name  HN  )) 2.487 0.687 0.687 peak  7068 weight  1.00000E+00 volume  4.31509E+06 ppm1      7.958 ppm2      9.600

ASSI {445}   (( resid 35   and name  HA  ))   (( resid 36   and name  HN  )) 2.768 0.968 0.968 peak  7078 weight  1.00000E+00 volume  1.59949E+06 ppm1      7.959 ppm2      4.488

ASSI {446}   (( resid 36   and name  HN  ))   (  resid 35   and name  HB# ) 2.743 0.943 0.943 peak  7080 weight  1.00000E+00 volume  1.70356E+06 ppm1      7.957 ppm2      3.950

ASSI {447}   (( resid 36   and name  HN  ))   (( resid 36   and name  HE  )) 3.09 1.39 2.53 peak  7074 weight  1.00000E+00 volume  5.89526E+05 ppm1      7.955 ppm2      6.779 !2

ASSI {448}   (( resid 36   and name  HN  ))   (( resid 36   and name  HA  )) 2.711 0.911 0.911 peak  7076 weight  1.00000E+00 volume  1.91282E+06 ppm1      7.959 ppm2      4.788

ASSI {449}   (( resid 36   and name  HN  ))   (( resid 36   and name  HD1 )) 3.097 1.397 4.407 peak  7083 weight  1.00000E+00 volume  5.91241E+05 ppm1      7.956 ppm2      3.238 !3

ASSI {450}   (( resid 36   and name  HN  ))   (( resid 36   and name  HB1 )) 2.838 1.038 1.038 peak  7087 weight  1.00000E+00 volume  1.25604E+06 ppm1      7.958 ppm2      2.072

ASSI {451}   (( resid 80   and name  HN  ))   (( resid 36   and name  HA  )) 3.034 1.334 2.384 peak  7784 weight  1.00000E+00 volume  6.73508E+05 ppm1      7.146 ppm2      4.802 !2

ASSI {452}   (( resid 80   and name  HN  ))   (( resid 36   and name  HB1 )) 3.471 1.771 4.441 peak  7793 weight  1.00000E+00 volume  2.30097E+05 ppm1      7.156 ppm2      2.044 !3

ASSI {453}   (( resid 79   and name  HN  ))   (( resid 36   and name  HA  )) 2.933 1.233 4.253 peak  7902 weight  1.00000E+00 volume  9.08996E+05 ppm1      7.874 ppm2      4.778 !4

ASSI {454}   (( resid 39   and name  HN  ))   (( resid 36   and name  HB1 )) 3.407 1.707 5.187 peak  8012 weight  1.00000E+00 volume  2.69962E+05 ppm1      8.398 ppm2      2.046 !1

ASSI {455}   (( resid 37   and name  HN  ))   (( resid 36   and name  HE  )) 3.266 1.566 3.026 peak  9004 weight  1.00000E+00 volume  3.88401E+05 ppm1      9.788 ppm2      6.779 !2

ASSI {456}   (( resid 37   and name  HN  ))   (( resid 36   and name  HA  )) 2.589 0.789 0.789 peak  9012 weight  1.00000E+00 volume  2.90025E+06 ppm1      9.782 ppm2      4.782

ASSI {457}   (( resid 37   and name  HN  ))   (( resid 36   and name  HB1 )) 2.758 0.958 0.958 peak  9023 weight  1.00000E+00 volume  1.61443E+06 ppm1      9.782 ppm2      2.067

ASSI {458}   (( resid 37   and name  HN  ))   (( resid 36   and name  HB2 )) 2.655 0.955 1.534 peak  9026 weight  1.00000E+00 volume  2.27326E+06 ppm1      9.781 ppm2      1.762 !1

ASSI {459}   (( resid 39   and name  HN  ))   (( resid 37   and name  HB2 )) 3.016 1.316 4.246 peak  8008 weight  1.00000E+00 volume  7.49584E+05 ppm1      8.397 ppm2      2.626 !3

ASSI {460}   (( resid 37   and name  HN  ))   (( resid 38   and name  HN  )) 2.997 1.197 1.197 peak  8993 weight  1.00000E+00 volume  7.71230E+05 ppm1      9.784 ppm2      8.522

ASSI {461}   (( resid 37   and name  HN  ))   (( resid 38   and name  HD22)) 3.289 1.589 2.959 peak  8995 weight  1.00000E+00 volume  3.48201E+05 ppm1      9.783 ppm2      8.150 !1

ASSI {462}   (( resid 37   and name  HN  ))   (( resid 79   and name  HN  )) 3.42 1.72 2.13 peak  8998 weight  1.00000E+00 volume  2.59329E+05 ppm1      9.783 ppm2      7.866 !1

ASSI {463}   (( resid 37   and name  HN  ))   (( resid 78   and name  HN  )) 3.354 1.654 4.244 peak  8999 weight  1.00000E+00 volume  2.99575E+05 ppm1      9.786 ppm2      7.723 !3

ASSI {464}   (( resid 80   and name  HN  ))   (( resid 37   and name  HN  )) 3.017 1.217 1.217 peak  9001 weight  1.00000E+00 volume  7.77987E+05 ppm1      9.784 ppm2      7.135

ASSI {465}   (( resid 37   and name  HN  ))   (( resid 73   and name  HZ3 )) 3.514 1.714 1.714 peak  9006 weight  1.00000E+00 volume  2.01088E+05 ppm1      9.792 ppm2      6.661
OR {465}   (( resid 37   and name  HN  ))   (( resid 73   and name  HH2 ))

ASSI {466}   (( resid 37   and name  HN  ))   (( resid 39   and name  HA  )) 3.288 1.588 5.808 peak  9010 weight  1.00000E+00 volume  3.51638E+05 ppm1      9.784 ppm2      5.013 !2

ASSI {467}   (( resid 37   and name  HN  ))   (( resid 37   and name  HB2 )) 2.7 0.8995 0.8995 peak  9020 weight  1.00000E+00 volume  1.98742E+06 ppm1      9.786 ppm2      2.628

ASSI {468}   (( resid 70   and name  HB1 ))   (( resid 37   and name  HN  )) 3.155 1.455 3.295 peak  9022 weight  1.00000E+00 volume  4.95453E+05 ppm1      9.784 ppm2      2.295 !2

ASSI {469}   (( resid 80   and name  HB1 ))   (( resid 37   and name  HN  )) 2.928 1.228 2.378 peak  9027 weight  1.00000E+00 volume  9.26450E+05 ppm1      9.785 ppm2      1.578 !1

ASSI {470}   (  resid 80   and name  HD2#)   (( resid 37   and name  HN  )) 3.94 2.24 2.7 peak  9030 weight  1.00000E+00 volume  2.50898E+05 ppm1      9.788 ppm2      1.185 !1

ASSI {471}   (( resid 37   and name  HB2 ))   (( resid 38   and name  HN  )) 3.081 1.281 1.281 peak  9478 weight  1.00000E+00 volume  6.23213E+05 ppm1      8.504 ppm2      2.631

ASSI {472}   (( resid 78   and name  HA  ))   (( resid 38   and name  HD21)) 3.44 1.74 4.34 peak  5449 weight  1.00000E+00 volume  2.43680E+05 ppm1      8.555 ppm2      4.642 !3

ASSI {473}   (( resid 69   and name  HN  ))   (( resid 38   and name  HA  )) 3.027 1.327 3.767 peak  7377 weight  1.00000E+00 volume  6.71412E+05 ppm1      6.913 ppm2      5.290 !2

ASSI {474}   (( resid 40   and name  HN  ))   (( resid 38   and name  HA  )) 3.375 1.675 2.535 peak  7588 weight  1.00000E+00 volume  2.76155E+05 ppm1      9.099 ppm2      5.271 !1

ASSI {475}   (( resid 39   and name  HN  ))   (( resid 38   and name  HN  )) 2.509 0.809 1.719 peak  7972 weight  1.00000E+00 volume  3.92142E+06 ppm1      8.395 ppm2      8.498 !1

ASSI {476}   (( resid 70   and name  HB1 ))   (( resid 38   and name  HN  )) 2.728 1.028 2.677 peak  9479 weight  1.00000E+00 volume  1.77080E+06 ppm1      8.493 ppm2      2.308 !2

ASSI {477}   (( resid 38   and name  HD22))   (( resid 38   and name  HN  )) 2.903 1.203 2.753 peak 11437 weight  1.00000E+00 volume  1.00143E+06 ppm1      8.498 ppm2      8.155 !2

ASSI {478}   (( resid 39   and name  HN  ))   (( resid 38   and name  HD22)) 3.137 1.437 3.727 peak 12547 weight  1.00000E+00 volume  5.61175E+05 ppm1      8.397 ppm2      8.166 !3

ASSI {479}   (( resid 67   and name  HN  ))   (( resid 39   and name  HA  )) 3.154 1.454 2.063 peak  6976 weight  1.00000E+00 volume  4.86672E+05 ppm1      9.257 ppm2      5.029 !1

ASSI {480}   (( resid 69   and name  HN  ))   (( resid 39   and name  HA  )) 3.093 1.293 1.293 peak  7376 weight  1.00000E+00 volume  6.10996E+05 ppm1      6.914 ppm2      5.022

ASSI {481}   (( resid 40   and name  HN  ))   (( resid 39   and name  HB1 )) 3.032 1.232 1.232 peak  7592 weight  1.00000E+00 volume  7.46311E+05 ppm1      9.089 ppm2      4.312

ASSI {482}   (( resid 69   and name  HN  ))   (( resid 39   and name  HN  )) 3.162 1.462 2.052 peak  7978 weight  1.00000E+00 volume  5.10263E+05 ppm1      8.394 ppm2      6.901 !1

ASSI {483}   (( resid 40   and name  HN  ))   (( resid 39   and name  HN  )) 3.104 1.304 1.304 peak  7982 weight  1.00000E+00 volume  5.91123E+05 ppm1      8.392 ppm2      9.094

ASSI {484}   (( resid 39   and name  HN  ))   (( resid 39   and name  HA  )) 2.952 1.152 1.152 peak  7992 weight  1.00000E+00 volume  8.78078E+05 ppm1      8.395 ppm2      5.008

ASSI {485}   (( resid 39   and name  HB1 ))   (( resid 39   and name  HN  )) 3.155 1.356 1.356 peak  7997 weight  1.00000E+00 volume  5.16011E+05 ppm1      8.396 ppm2      4.336

ASSI {486}   (( resid 39   and name  HN  ))   (( resid 68   and name  HB1 )) 3.193 1.493 5.093 peak  8011 weight  1.00000E+00 volume  4.66212E+05 ppm1      8.397 ppm2      2.154 !3

ASSI {487}   (( resid 39   and name  HN  ))   (( resid 69   and name  HG1 )) 3.322 1.622 2.902 peak  8013 weight  1.00000E+00 volume  3.30101E+05 ppm1      8.395 ppm2      1.938 !2

ASSI {488}   (( resid 39   and name  HN  ))   (  resid 40   and name  HD1#) 3.74 1.94 1.94 peak  8027 weight  1.00000E+00 volume  3.81442E+05 ppm1      8.397 ppm2     -0.581

ASSI {489}   (  resid 40   and name  HG2#)   (( resid 42   and name  HN  )) 3.608 1.808 1.808 peak  5343 weight  1.00000E+00 volume  5.24319E+05 ppm1      9.325 ppm2      0.245

ASSI {490}   (( resid 42   and name  HN  ))   (  resid 40   and name  HD1#) 4.452 2.652 2.652 peak  5344 weight  1.00000E+00 volume  1.20811E+05 ppm1      9.326 ppm2     -0.580

ASSI {491}   (( resid 47   and name  HN  ))   (  resid 40   and name  HG2#) 3.835 2.135 3.554 peak  6958 weight  1.00000E+00 volume  3.07430E+05 ppm1      8.576 ppm2      0.254 !2

ASSI {492}   (( resid 40   and name  HN  ))   (( resid 67   and name  HN  )) 3.152 1.353 1.353 peak  6962 weight  1.00000E+00 volume  4.86696E+05 ppm1      9.256 ppm2      9.098

ASSI {493}   (  resid 40   and name  HG2#)   (( resid 67   and name  HN  )) 3.746 1.946 1.946 peak  6995 weight  1.00000E+00 volume  3.56544E+05 ppm1      9.253 ppm2      0.240

ASSI {494}   (( resid 9    and name  HN  ))   (  resid 40   and name  HG2#) 3.272 1.472 1.472 peak  7437 weight  1.00000E+00 volume  1.12491E+06 ppm1      8.355 ppm2      0.247

ASSI {495}   (( resid 40   and name  HN  ))   (( resid 73   and name  HN  )) 2.934 1.234 4.955 peak  7577 weight  1.00000E+00 volume  9.26013E+05 ppm1      9.093 ppm2      7.263 !4

ASSI {496}   (( resid 69   and name  HN  ))   (( resid 40   and name  HN  )) 2.954 1.154 1.154 peak  7581 weight  1.00000E+00 volume  8.85062E+05 ppm1      9.095 ppm2      6.891

ASSI {497}   (( resid 68   and name  HA  ))   (( resid 40   and name  HN  )) 3.102 1.402 1.812 peak  7595 weight  1.00000E+00 volume  5.75450E+05 ppm1      9.090 ppm2      3.694 !1

ASSI {498}   (( resid 62   and name  HB1 ))   (( resid 40   and name  HN  )) 3.186 1.486 5.115 peak  7608 weight  1.00000E+00 volume  4.67363E+05 ppm1      9.095 ppm2      1.408 !2

ASSI {499}   (( resid 40   and name  HN  ))   (  resid 40   and name  HG2#) 3.51 1.71 1.71 peak  7615 weight  1.00000E+00 volume  6.42149E+05 ppm1      9.092 ppm2      0.240

ASSI {500}   (  resid 62   and name  HD2#)   (( resid 40   and name  HN  )) 3.915 2.115 2.115 peak  7616 weight  1.00000E+00 volume  2.79055E+05 ppm1      9.096 ppm2     -0.228

ASSI {501}   (( resid 40   and name  HN  ))   (  resid 40   and name  HD1#) 3.59 1.79 1.79 peak  7617 weight  1.00000E+00 volume  5.43029E+05 ppm1      9.092 ppm2     -0.595

ASSI {502}   (( resid 73   and name  HN  ))   (( resid 40   and name  HG11)) 3.551 1.851 5.611 peak  8311 weight  1.00000E+00 volume  1.76134E+05 ppm1      7.277 ppm2      1.385 !4

ASSI {503}   (( resid 40   and name  HN  ))   (( resid 73   and name  HE3 )) 3.45 1.75 3.191 peak 10714 weight  1.00000E+00 volume  2.55406E+05 ppm1      9.093 ppm2      6.410 !2

ASSI {504}   (( resid 41   and name  HN  ))   (( resid 40   and name  HA  )) 2.732 0.932 0.932 peak 11074 weight  1.00000E+00 volume  1.77457E+06 ppm1      9.039 ppm2      5.374

ASSI {505}   (  resid 40   and name  HG2#)   (( resid 41   and name  HN  )) 3.024 1.224 1.224 peak 11092 weight  1.00000E+00 volume  2.18461E+06 ppm1      9.039 ppm2      0.252

ASSI {506}   (( resid 41   and name  HN  ))   (  resid 40   and name  HD1#) 3.575 1.776 1.776 peak 11095 weight  1.00000E+00 volume  5.42144E+05 ppm1      9.040 ppm2     -0.588

ASSI {507}   (( resid 42   and name  HN  ))   (( resid 41   and name  HN  )) 3.275 1.475 1.475 peak  5317 weight  1.00000E+00 volume  3.94938E+05 ppm1      9.325 ppm2      9.020

ASSI {508}   (( resid 42   and name  HN  ))   (( resid 41   and name  HA  )) 2.564 0.764 0.764 peak  5325 weight  1.00000E+00 volume  3.17800E+06 ppm1      9.325 ppm2      4.981

ASSI {509}   (( resid 42   and name  HN  ))   (( resid 41   and name  HG2 )) 3.435 1.735 2.775 peak  5339 weight  1.00000E+00 volume  2.80699E+05 ppm1      9.325 ppm2      1.303 !2

ASSI {510}   (( resid 66   and name  HN  ))   (( resid 41   and name  HA  )) 3.087 1.387 1.947 peak  6593 weight  1.00000E+00 volume  6.02098E+05 ppm1      8.325 ppm2      4.983 !1

ASSI {511}   (( resid 66   and name  HN  ))   (( resid 41   and name  HG2 )) 3.207 1.507 4.047 peak  6611 weight  1.00000E+00 volume  4.52540E+05 ppm1      8.331 ppm2      1.289 !3

ASSI {512}   (( resid 66   and name  HN  ))   (( resid 41   and name  HG1 )) 3.235 1.535 5.545 peak  6613 weight  1.00000E+00 volume  4.12434E+05 ppm1      8.322 ppm2      0.791 !3

ASSI {513}   (( resid 41   and name  HE1 ))   (( resid 67   and name  HN  )) 3.272 1.472 1.472 peak  6987 weight  1.00000E+00 volume  3.64823E+05 ppm1      9.255 ppm2      1.668
OR {513}   (( resid 41   and name  HB2 ))   (( resid 67   and name  HN  ))

ASSI {514}   (( resid 41   and name  HB1 ))   (( resid 67   and name  HN  )) 3.271 1.471 1.471 peak  6988 weight  1.00000E+00 volume  3.66673E+05 ppm1      9.252 ppm2      1.744

ASSI {515}   (( resid 65   and name  HN  ))   (( resid 41   and name  HA  )) 3.201 1.401 1.401 peak  7047 weight  1.00000E+00 volume  4.27897E+05 ppm1      8.660 ppm2      4.997

ASSI {516}   (( resid 41   and name  HB2 ))   (( resid 69   and name  HN  )) 2.942 1.242 6.463 peak  7398 weight  1.00000E+00 volume  8.78912E+05 ppm1      6.914 ppm2      1.677 !2

ASSI {517}   (( resid 9    and name  HN  ))   (( resid 41   and name  HE1 )) 3.139 1.439 2.919 peak  7429 weight  1.00000E+00 volume  5.05114E+05 ppm1      8.359 ppm2      1.667 !2
OR {517}   (( resid 9    and name  HN  ))   (( resid 41   and name  HB2 ))

ASSI {518}   (( resid 43   and name  HN  ))   (( resid 41   and name  HE1 )) 3.397 1.697 2.747 peak  7765 weight  1.00000E+00 volume  2.65639E+05 ppm1      8.547 ppm2      1.688 !1
OR {518}   (( resid 41   and name  HB2 ))   (( resid 43   and name  HN  ))

ASSI {519}   (( resid 9    and name  HN  ))   (( resid 41   and name  HN  )) 3.016 1.216 1.216 peak  8510 weight  1.00000E+00 volume  7.66744E+05 ppm1      9.035 ppm2      8.354

ASSI {520}   (( resid 41   and name  HN  ))   (( resid 66   and name  HA  )) 3.229 1.529 1.869 peak  8520 weight  1.00000E+00 volume  4.08590E+05 ppm1      9.031 ppm2      4.818 !1

ASSI {521}   (( resid 41   and name  HN  ))   (( resid 9    and name  HB  )) 2.984 1.184 1.184 peak  8525 weight  1.00000E+00 volume  8.43559E+05 ppm1      9.038 ppm2      3.514

ASSI {522}   (( resid 41   and name  HB1 ))   (( resid 41   and name  HN  )) 2.908 1.108 1.108 peak  8529 weight  1.00000E+00 volume  1.03534E+06 ppm1      9.038 ppm2      1.728

ASSI {523}   (( resid 41   and name  HN  ))   (( resid 41   and name  HG2 )) 3.043 1.243 1.243 peak 11087 weight  1.00000E+00 volume  6.85731E+05 ppm1      9.040 ppm2      1.308

ASSI {524}   (  resid 62   and name  HD2#)   (( resid 41   and name  HN  )) 3.916 2.116 2.116 peak 11093 weight  1.00000E+00 volume  2.63047E+05 ppm1      9.040 ppm2     -0.225

ASSI {525}   (( resid 41   and name  HN  ))   (  resid 8    and name  HD1#) 3.87 2.07 2.07 peak 11094 weight  1.00000E+00 volume  3.03621E+05 ppm1      9.040 ppm2     -0.084

ASSI {526}   (  resid 9    and name  HG2#)   (( resid 41   and name  HN  )) 3.372 1.571 1.571 peak 12751 weight  1.00000E+00 volume  9.13898E+05 ppm1      9.044 ppm2      0.551

ASSI {527}   (( resid 65   and name  HN  ))   (( resid 42   and name  HN  )) 2.814 1.014 1.014 peak  5319 weight  1.00000E+00 volume  1.40557E+06 ppm1      9.323 ppm2      8.656

ASSI {528}   (( resid 42   and name  HN  ))   (( resid 47   and name  HD1 )) 3.242 1.542 2.522 peak  5322 weight  1.00000E+00 volume  3.98137E+05 ppm1      9.323 ppm2      6.952 !1

ASSI {529}   (( resid 64   and name  HA  ))   (( resid 42   and name  HN  )) 2.993 1.293 1.753 peak  5329 weight  1.00000E+00 volume  8.23170E+05 ppm1      9.324 ppm2      4.015 !1

ASSI {530}   (( resid 42   and name  HN  ))   (( resid 65   and name  HA2 )) 3.471 1.771 2.251 peak  5331 weight  1.00000E+00 volume  2.42007E+05 ppm1      9.325 ppm2      3.901 !1

ASSI {531}   (( resid 7    and name  HB2 ))   (( resid 42   and name  HN  )) 3.098 1.398 6.018 peak  5338 weight  1.00000E+00 volume  6.02968E+05 ppm1      9.325 ppm2      1.655 !2

ASSI {532}   (( resid 44   and name  HN  ))   (( resid 42   and name  HN  )) 3.279 1.579 2.648 peak  5502 weight  1.00000E+00 volume  3.58627E+05 ppm1      9.322 ppm2      8.436 !1

ASSI {533}   (( resid 64   and name  HE22))   (( resid 42   and name  HN  )) 3.5 1.7 1.7 peak  5989 weight  1.00000E+00 volume  2.18553E+05 ppm1      6.923 ppm2      9.311

ASSI {534}   (( resid 66   and name  HN  ))   (( resid 42   and name  HN  )) 2.913 1.213 3.094 peak  6588 weight  1.00000E+00 volume  9.89174E+05 ppm1      8.326 ppm2      9.309 !3

ASSI {535}   (( resid 47   and name  HN  ))   (( resid 42   and name  HA  )) 3.33 1.63 5.8 peak  6942 weight  1.00000E+00 volume  3.09312E+05 ppm1      8.583 ppm2      4.219 !4

ASSI {536}   (( resid 65   and name  HN  ))   (  resid 42   and name  HG2#) 3.058 1.258 1.258 peak  7060 weight  1.00000E+00 volume  1.98344E+06 ppm1      8.661 ppm2      1.080

ASSI {537}   (( resid 65   and name  HN  ))   (  resid 42   and name  HG1#) 3.268 1.468 1.468 peak  7062 weight  1.00000E+00 volume  1.12355E+06 ppm1      8.661 ppm2      0.711

ASSI {538}   (( resid 44   and name  HN  ))   (  resid 42   and name  HG2#) 3.278 1.478 1.478 peak  7119 weight  1.00000E+00 volume  1.10935E+06 ppm1      8.440 ppm2      1.091

ASSI {539}   (( resid 9    and name  HN  ))   (( resid 42   and name  HA  )) 2.931 1.131 1.131 peak  7419 weight  1.00000E+00 volume  9.48863E+05 ppm1      8.360 ppm2      4.240

ASSI {540}   (( resid 43   and name  HN  ))   (( resid 42   and name  HN  )) 3.313 1.513 1.513 peak  7754 weight  1.00000E+00 volume  3.41493E+05 ppm1      8.551 ppm2      9.317

ASSI {541}   (( resid 43   and name  HN  ))   (  resid 42   and name  HG2#) 3.17 1.37 1.37 peak  7767 weight  1.00000E+00 volume  1.48867E+06 ppm1      8.544 ppm2      1.083

ASSI {542}   (( resid 43   and name  HN  ))   (  resid 42   and name  HG1#) 3.506 1.707 1.707 peak  7769 weight  1.00000E+00 volume  6.23550E+05 ppm1      8.542 ppm2      0.716

ASSI {543}   (  resid 42   and name  HG2#)   (( resid 64   and name  HN  )) 3.133 1.433 1.853 peak  8096 weight  1.00000E+00 volume  1.60766E+06 ppm1      8.555 ppm2      1.084 !1

ASSI {544}   (( resid 45   and name  HN  ))   (  resid 42   and name  HG2#) 3.622 1.821 1.821 peak  8457 weight  1.00000E+00 volume  4.79034E+05 ppm1      8.096 ppm2      1.096

ASSI {545}   (  resid 9    and name  HG2#)   (( resid 42   and name  HN  )) 3.884 2.184 3.494 peak  9982 weight  1.00000E+00 volume  2.95784E+05 ppm1      9.331 ppm2      0.567 !2

ASSI {546}   (  resid 62   and name  HD2#)   (( resid 42   and name  HN  )) 3.905 2.106 2.106 peak  9984 weight  1.00000E+00 volume  3.19841E+05 ppm1      9.331 ppm2     -0.224

ASSI {547}   (( resid 64   and name  HE22))   (( resid 43   and name  HA  )) 3.421 1.621 1.621 peak  5992 weight  1.00000E+00 volume  2.59915E+05 ppm1      6.918 ppm2      4.490

ASSI {548}   (( resid 44   and name  HN  ))   (( resid 43   and name  HG1 )) 2.988 1.288 3.128 peak  7112 weight  1.00000E+00 volume  7.67610E+05 ppm1      8.444 ppm2      2.141 !2

ASSI {549}   (( resid 44   and name  HN  ))   (( resid 43   and name  HB1 )) 2.838 1.138 2.438 peak  7113 weight  1.00000E+00 volume  1.24845E+06 ppm1      8.443 ppm2      2.045 !2

ASSI {550}   (( resid 44   and name  HN  ))   (( resid 43   and name  HB2 )) 2.915 1.215 1.575 peak  7115 weight  1.00000E+00 volume  1.00634E+06 ppm1      8.444 ppm2      1.896 !1

ASSI {551}   (( resid 43   and name  HB1 ))   (( resid 7    and name  HN  )) 3.452 1.752 3.822 peak  7141 weight  1.00000E+00 volume  2.32379E+05 ppm1      8.594 ppm2      2.059 !2

ASSI {552}   (( resid 43   and name  HB2 ))   (( resid 7    and name  HN  )) 3.237 1.537 2.168 peak  7142 weight  1.00000E+00 volume  4.02902E+05 ppm1      8.593 ppm2      1.895 !1

ASSI {553}   (( resid 9    and name  HN  ))   (( resid 43   and name  HN  )) 3.067 1.367 2.777 peak  7405 weight  1.00000E+00 volume  6.23595E+05 ppm1      8.356 ppm2      8.543 !2

ASSI {554}   (( resid 9    and name  HN  ))   (( resid 43   and name  HB1 )) 3.49 1.79 4.74 peak  7425 weight  1.00000E+00 volume  2.23221E+05 ppm1      8.350 ppm2      2.057 !3

ASSI {555}   (( resid 43   and name  HN  ))   (( resid 65   and name  HN  )) 3.196 1.496 3.866 peak  7753 weight  1.00000E+00 volume  4.26142E+05 ppm1      8.555 ppm2      8.641 !2

ASSI {556}   (( resid 43   and name  HN  ))   (( resid 64   and name  HA  )) 3.524 1.824 2.724 peak  7759 weight  1.00000E+00 volume  1.96948E+05 ppm1      8.550 ppm2      3.996 !2

ASSI {557}   (( resid 43   and name  HN  ))   (( resid 43   and name  HG1 )) 3.075 1.275 1.275 peak  7761 weight  1.00000E+00 volume  6.20022E+05 ppm1      8.544 ppm2      2.148

ASSI {558}   (( resid 43   and name  HN  ))   (( resid 43   and name  HG2 )) 3.093 1.292 1.292 peak  7763 weight  1.00000E+00 volume  5.86747E+05 ppm1      8.546 ppm2      2.202

ASSI {559}   (( resid 43   and name  HN  ))   (( resid 7    and name  HG1 )) 3.352 1.552 1.552 peak  7768 weight  1.00000E+00 volume  3.03651E+05 ppm1      8.551 ppm2      1.212

ASSI {560}   (( resid 44   and name  HN  ))   (( resid 7    and name  HN  )) 2.828 1.128 1.578 peak  7098 weight  1.00000E+00 volume  1.27139E+06 ppm1      8.440 ppm2      8.592 !1

ASSI {561}   (( resid 44   and name  HN  ))   (( resid 64   and name  HE22)) 3.369 1.569 1.569 peak  7101 weight  1.00000E+00 volume  2.84446E+05 ppm1      8.433 ppm2      6.924

ASSI {562}   (( resid 44   and name  HN  ))   (( resid 64   and name  HA  )) 3.004 1.204 1.204 peak  7108 weight  1.00000E+00 volume  7.08173E+05 ppm1      8.439 ppm2      4.025

ASSI {563}   (( resid 44   and name  HN  ))   (( resid 45   and name  HA1 )) 3.389 1.689 2.129 peak  7109 weight  1.00000E+00 volume  2.66619E+05 ppm1      8.447 ppm2      3.850 !1

ASSI {564}   (( resid 44   and name  HN  ))   (( resid 64   and name  HG2 )) 3.462 1.662 1.662 peak  7110 weight  1.00000E+00 volume  2.30900E+05 ppm1      8.433 ppm2      2.319

ASSI {565}   (( resid 7    and name  HB2 ))   (( resid 44   and name  HN  )) 3.255 1.555 3.365 peak  7117 weight  1.00000E+00 volume  3.90911E+05 ppm1      8.449 ppm2      1.647 !2

ASSI {566}   (( resid 44   and name  HN  ))   (( resid 7    and name  HG1 )) 3.574 1.874 4.274 peak  7118 weight  1.00000E+00 volume  1.79510E+05 ppm1      8.436 ppm2      1.203 !2

ASSI {567}   (( resid 44   and name  HN  ))   (( resid 64   and name  HN  )) 3.114 1.414 3.414 peak  8066 weight  1.00000E+00 volume  5.62500E+05 ppm1      8.550 ppm2      8.438 !2

ASSI {568}   (( resid 44   and name  HN  ))   (( resid 45   and name  HN  )) 2.959 1.159 1.159 peak  8440 weight  1.00000E+00 volume  8.82482E+05 ppm1      8.092 ppm2      8.437

ASSI {569}   (( resid 45   and name  HN  ))   (( resid 47   and name  HE1 )) 3.189 1.389 1.389 peak  6377 weight  1.00000E+00 volume  4.66344E+05 ppm1      9.465 ppm2      8.103

ASSI {570}   (( resid 7    and name  HN  ))   (( resid 45   and name  HA1 )) 3.54 1.74 1.74 peak  7135 weight  1.00000E+00 volume  1.93543E+05 ppm1      8.586 ppm2      3.865

ASSI {571}   (( resid 45   and name  HN  ))   (( resid 64   and name  HN  )) 3.287 1.587 2.497 peak  8070 weight  1.00000E+00 volume  3.54017E+05 ppm1      8.560 ppm2      8.098 !1

ASSI {572}   (( resid 5    and name  HN  ))   (( resid 45   and name  HN  )) 3.348 1.648 3.947 peak  8441 weight  1.00000E+00 volume  3.09131E+05 ppm1      8.098 ppm2      8.302 !3

ASSI {573}   (( resid 64   and name  HE22))   (( resid 45   and name  HN  )) 3.367 1.667 3.727 peak  8444 weight  1.00000E+00 volume  2.95736E+05 ppm1      8.093 ppm2      6.925 !2

ASSI {574}   (( resid 45   and name  HN  ))   (( resid 6    and name  HA  )) 3.056 1.256 1.256 peak  8445 weight  1.00000E+00 volume  6.69093E+05 ppm1      8.095 ppm2      4.521

ASSI {575}   (( resid 45   and name  HN  ))   (( resid 45   and name  HA1 )) 2.664 0.8645 0.8645 peak  8449 weight  1.00000E+00 volume  2.22198E+06 ppm1      8.098 ppm2      3.845

ASSI {576}   (( resid 45   and name  HN  ))   (( resid 64   and name  HB1 )) 3.111 1.411 3.281 peak  8456 weight  1.00000E+00 volume  5.55685E+05 ppm1      8.105 ppm2      2.000 !2

ASSI {577}   (( resid 45   and name  HN  ))   (  resid 6    and name  HG2#) 3.603 1.803 1.803 peak  8458 weight  1.00000E+00 volume  4.94351E+05 ppm1      8.105 ppm2      0.992

ASSI {578}   (( resid 45   and name  HN  ))   (  resid 85   and name  HB# ) 4.095 2.294 2.294 peak  8460 weight  1.00000E+00 volume  1.97726E+05 ppm1      8.093 ppm2      0.125

ASSI {579}   (( resid 46   and name  HN  ))   (( resid 86   and name  HN  )) 2.416 0.716 3.686 peak  5188 weight  1.00000E+00 volume  5.45234E+06 ppm1      8.077 ppm2      8.072 !4

ASSI {580}   (( resid 47   and name  HE1 ))   (( resid 46   and name  HA  )) 3.321 1.621 3.091 peak  6383 weight  1.00000E+00 volume  3.35000E+05 ppm1      9.455 ppm2      4.847 !2

ASSI {581}   (( resid 47   and name  HN  ))   (( resid 46   and name  HA  )) 2.588 0.788 0.788 peak  6938 weight  1.00000E+00 volume  2.89070E+06 ppm1      8.576 ppm2      4.855

ASSI {582}   (( resid 64   and name  HN  ))   (( resid 46   and name  HA  )) 2.99 1.19 1.19 peak  8074 weight  1.00000E+00 volume  7.98424E+05 ppm1      8.557 ppm2      4.853

ASSI {583}   (( resid 47   and name  HN  ))   (( resid 86   and name  HN  )) 3.537 1.736 1.736 peak  5191 weight  1.00000E+00 volume  2.01794E+05 ppm1      8.064 ppm2      8.564

ASSI {584}   (( resid 47   and name  HZ2 ))   (( resid 86   and name  HN  )) 3.468 1.668 1.668 peak  5473 weight  1.00000E+00 volume  2.29198E+05 ppm1      8.077 ppm2      6.964
OR {584}   (( resid 47   and name  HD1 ))   (( resid 86   and name  HN  ))

ASSI {585}   (( resid 47   and name  HB1 ))   (( resid 86   and name  HN  )) 3.325 1.625 2.045 peak  5475 weight  1.00000E+00 volume  3.31853E+05 ppm1      8.086 ppm2      2.926 !1

ASSI {586}   (( resid 48   and name  HN  ))   (( resid 47   and name  HE3 )) 3.181 1.381 1.381 peak  5701 weight  1.00000E+00 volume  4.60091E+05 ppm1      9.522 ppm2      7.181

ASSI {587}   (( resid 48   and name  HN  ))   (( resid 47   and name  HD1 )) 3.471 1.771 2.481 peak  5702 weight  1.00000E+00 volume  2.25561E+05 ppm1      9.536 ppm2      6.956 !1

ASSI {588}   (( resid 48   and name  HN  ))   (( resid 47   and name  HB1 )) 2.91 1.11 1.11 peak  5715 weight  1.00000E+00 volume  9.91820E+05 ppm1      9.522 ppm2      2.938

ASSI {589}   (( resid 48   and name  HN  ))   (( resid 47   and name  HB2 )) 2.971 1.171 1.171 peak  5716 weight  1.00000E+00 volume  8.36949E+05 ppm1      9.522 ppm2      2.663

ASSI {590}   (( resid 85   and name  HN  ))   (( resid 47   and name  HZ2 )) 3.53 1.731 1.731 peak  5777 weight  1.00000E+00 volume  1.93793E+05 ppm1      8.236 ppm2      6.973

ASSI {591}   (( resid 85   and name  HN  ))   (( resid 47   and name  HH2 )) 3.56 1.76 1.76 peak  5778 weight  1.00000E+00 volume  1.79765E+05 ppm1      8.238 ppm2      6.656

ASSI {592}   (( resid 47   and name  HE1 ))   (( resid 7    and name  HA  )) 3.368 1.568 1.568 peak  6382 weight  1.00000E+00 volume  3.06421E+05 ppm1      9.455 ppm2      4.994

ASSI {593}   (( resid 47   and name  HE1 ))   (( resid 6    and name  HA  )) 3.012 1.212 1.212 peak  6384 weight  1.00000E+00 volume  7.81691E+05 ppm1      9.464 ppm2      4.533

ASSI {594}   (( resid 47   and name  HN  ))   (( resid 62   and name  HN  )) 3.04 1.24 1.24 peak  6929 weight  1.00000E+00 volume  6.85223E+05 ppm1      8.575 ppm2      9.652

ASSI {595}   (( resid 47   and name  HN  ))   (( resid 48   and name  HN  )) 3.098 1.298 1.298 peak  6930 weight  1.00000E+00 volume  5.93994E+05 ppm1      8.578 ppm2      9.516

ASSI {596}   (( resid 47   and name  HN  ))   (( resid 47   and name  HZ2 )) 2.997 1.197 1.197 peak  6934 weight  1.00000E+00 volume  7.86913E+05 ppm1      8.572 ppm2      6.962
OR {596}   (( resid 47   and name  HN  ))   (( resid 47   and name  HD1 ))

ASSI {597}   (( resid 47   and name  HN  ))   (( resid 48   and name  HA  )) 3.423 1.623 1.623 peak  6936 weight  1.00000E+00 volume  2.72663E+05 ppm1      8.580 ppm2      5.190

ASSI {598}   (( resid 47   and name  HN  ))   (( resid 61   and name  HA  )) 2.956 1.256 1.996 peak  6940 weight  1.00000E+00 volume  8.42770E+05 ppm1      8.577 ppm2      4.982 !1

ASSI {599}   (( resid 47   and name  HN  ))   (( resid 47   and name  HB1 )) 2.917 1.117 1.117 peak  6945 weight  1.00000E+00 volume  9.96876E+05 ppm1      8.576 ppm2      2.930

ASSI {600}   (( resid 47   and name  HN  ))   (( resid 47   and name  HB2 )) 3.375 1.575 1.575 peak  6948 weight  1.00000E+00 volume  2.84141E+05 ppm1      8.578 ppm2      2.668

ASSI {601}   (( resid 47   and name  HN  ))   (( resid 64   and name  HB1 )) 3.231 1.531 4.941 peak  6949 weight  1.00000E+00 volume  4.08081E+05 ppm1      8.579 ppm2      2.028 !2

ASSI {602}   (( resid 47   and name  HN  ))   (( resid 62   and name  HB2 )) 3.169 1.469 1.929 peak  6951 weight  1.00000E+00 volume  4.78938E+05 ppm1      8.580 ppm2      1.351 !1

ASSI {603}   (( resid 47   and name  HN  ))   (( resid 86   and name  HB  )) 3.29 1.49 1.49 peak  6952 weight  1.00000E+00 volume  3.44064E+05 ppm1      8.574 ppm2      1.553

ASSI {604}   (( resid 47   and name  HN  ))   (  resid 8    and name  HD1#) 3.579 1.779 1.779 peak  6959 weight  1.00000E+00 volume  5.42518E+05 ppm1      8.580 ppm2     -0.085

ASSI {605}   (( resid 47   and name  HN  ))   (  resid 62   and name  HD2#) 3.96 2.159 2.159 peak  6961 weight  1.00000E+00 volume  2.51959E+05 ppm1      8.579 ppm2     -0.219

ASSI {606}   (( resid 47   and name  HE1 ))   (( resid 7    and name  HN  )) 2.997 1.297 2.197 peak  7123 weight  1.00000E+00 volume  8.05452E+05 ppm1      8.598 ppm2      9.456 !2

ASSI {607}   (( resid 8    and name  HN  ))   (( resid 47   and name  HE1 )) 3.522 1.723 1.723 peak  7685 weight  1.00000E+00 volume  2.11156E+05 ppm1      8.463 ppm2      9.458

ASSI {608}   (( resid 8    and name  HN  ))   (( resid 47   and name  HZ2 )) 3.089 1.289 1.289 peak  7687 weight  1.00000E+00 volume  6.17783E+05 ppm1      8.465 ppm2      6.948

ASSI {609}   (( resid 84   and name  HN  ))   (( resid 47   and name  HA  )) 3.498 1.698 1.698 peak  7877 weight  1.00000E+00 volume  2.16931E+05 ppm1     10.100 ppm2      4.819

ASSI {610}   (( resid 47   and name  HN  ))   (( resid 49   and name  HN  )) 2.973 1.273 3.113 peak  9654 weight  1.00000E+00 volume  8.20754E+05 ppm1      9.078 ppm2      8.563 !2

ASSI {611}   (( resid 47   and name  HZ2 ))   (( resid 7    and name  HN  )) 3.159 1.358 1.358 peak 10545 weight  1.00000E+00 volume  5.02396E+05 ppm1      8.603 ppm2      6.950
OR {611}   (( resid 47   and name  HD1 ))   (( resid 7    and name  HN  ))

ASSI {612}   (( resid 64   and name  HN  ))   (( resid 47   and name  HD1 )) 3.458 1.758 2.418 peak 10893 weight  1.00000E+00 volume  2.32854E+05 ppm1      8.553 ppm2      6.947 !1

ASSI {613}   (( resid 48   and name  HN  ))   (( resid 86   and name  HN  )) 3.152 1.352 1.352 peak  5192 weight  1.00000E+00 volume  5.29639E+05 ppm1      8.075 ppm2      9.526

ASSI {614}   (( resid 86   and name  HN  ))   (  resid 48   and name  HB# ) 4.116 2.316 2.316 peak  5199 weight  1.00000E+00 volume  1.97136E+05 ppm1      8.079 ppm2      1.115

ASSI {615}   (( resid 62   and name  HN  ))   (( resid 48   and name  HN  )) 3.229 1.529 1.869 peak  5691 weight  1.00000E+00 volume  4.37617E+05 ppm1      9.535 ppm2      9.648 !1

ASSI {616}   (( resid 84   and name  HN  ))   (( resid 48   and name  HN  )) 3.01 1.21 1.21 peak  5694 weight  1.00000E+00 volume  7.68825E+05 ppm1      9.525 ppm2     10.094

ASSI {617}   (( resid 49   and name  HN  ))   (( resid 48   and name  HN  )) 3.205 1.405 1.405 peak  5695 weight  1.00000E+00 volume  4.55260E+05 ppm1      9.525 ppm2      9.074

ASSI {618}   (( resid 48   and name  HN  ))   (( resid 83   and name  HA  )) 3.292 1.492 1.492 peak  5705 weight  1.00000E+00 volume  3.88866E+05 ppm1      9.522 ppm2      6.448

ASSI {619}   (( resid 48   and name  HN  ))   (( resid 48   and name  HA  )) 3.101 1.301 1.301 peak  5706 weight  1.00000E+00 volume  6.00459E+05 ppm1      9.524 ppm2      5.174

ASSI {620}   (( resid 48   and name  HN  ))   (( resid 62   and name  HA  )) 3.331 1.631 4.251 peak  5710 weight  1.00000E+00 volume  3.07817E+05 ppm1      9.524 ppm2      5.033 !2

ASSI {621}   (( resid 48   and name  HN  ))   (( resid 85   and name  HA  )) 3.006 1.206 1.206 peak  5714 weight  1.00000E+00 volume  7.38040E+05 ppm1      9.529 ppm2      3.195

ASSI {622}   (( resid 48   and name  HN  ))   (  resid 84   and name  HG# ) 3.262 1.562 2.032 peak  5717 weight  1.00000E+00 volume  3.83077E+05 ppm1      9.525 ppm2      1.332 !1

ASSI {623}   (( resid 48   and name  HN  ))   (( resid 86   and name  HB  )) 3.299 1.499 1.499 peak  5719 weight  1.00000E+00 volume  3.48115E+05 ppm1      9.520 ppm2      1.562

ASSI {624}   (( resid 48   and name  HN  ))   (  resid 80   and name  HD1#) 3.535 1.835 3.495 peak  5720 weight  1.00000E+00 volume  6.19593E+05 ppm1      9.526 ppm2      0.878 !2

ASSI {625}   (( resid 48   and name  HN  ))   (  resid 85   and name  HB# ) 3.612 1.812 1.812 peak  5726 weight  1.00000E+00 volume  5.01382E+05 ppm1      9.519 ppm2      0.152

ASSI {626}   (  resid 62   and name  HD1#)   (( resid 48   and name  HN  )) 3.984 2.284 2.684 peak  5727 weight  1.00000E+00 volume  2.27146E+05 ppm1      9.518 ppm2      0.272 !1

ASSI {627}   (( resid 48   and name  HN  ))   (  resid 8    and name  HD1#) 3.884 2.084 2.084 peak  5728 weight  1.00000E+00 volume  2.66042E+05 ppm1      9.517 ppm2     -0.091

ASSI {628}   (( resid 85   and name  HN  ))   (  resid 48   and name  HB# ) 3.939 2.139 2.139 peak  5787 weight  1.00000E+00 volume  2.57272E+05 ppm1      8.236 ppm2      1.121

ASSI {629}   (( resid 62   and name  HN  ))   (( resid 48   and name  HA  )) 3.137 1.337 1.337 peak  5856 weight  1.00000E+00 volume  5.18557E+05 ppm1      9.643 ppm2      5.176

ASSI {630}   (( resid 61   and name  HN  ))   (( resid 48   and name  HA  )) 3.542 1.742 1.742 peak  8578 weight  1.00000E+00 volume  1.88506E+05 ppm1      8.178 ppm2      5.193

ASSI {631}   (( resid 49   and name  HN  ))   (( resid 48   and name  HA  )) 2.59 0.79 0.79 peak  9658 weight  1.00000E+00 volume  2.82935E+06 ppm1      9.076 ppm2      5.168

ASSI {632}   (( resid 9    and name  HN  ))   (  resid 49   and name  HG2#) 3.768 2.068 4.397 peak  7434 weight  1.00000E+00 volume  3.54929E+05 ppm1      8.360 ppm2      0.844 !2

ASSI {633}   (( resid 84   and name  HN  ))   (( resid 49   and name  HN  )) 3.519 1.719 1.719 peak  7864 weight  1.00000E+00 volume  2.14907E+05 ppm1     10.094 ppm2      9.069

ASSI {634}   (( resid 84   and name  HN  ))   (( resid 49   and name  HA  )) 3.235 1.435 1.435 peak  7876 weight  1.00000E+00 volume  4.21392E+05 ppm1     10.096 ppm2      5.355

ASSI {635}   (( resid 52   and name  HN  ))   (  resid 49   and name  HG2#) 3.857 2.157 3.757 peak  8402 weight  1.00000E+00 volume  2.92327E+05 ppm1      8.274 ppm2      0.823 !2

ASSI {636}   (( resid 81   and name  HN  ))   (  resid 49   and name  HG1#) 3.881 2.082 2.082 peak  9235 weight  1.00000E+00 volume  2.82574E+05 ppm1      8.728 ppm2      1.079

ASSI {637}   (( resid 81   and name  HN  ))   (  resid 49   and name  HG2#) 3.764 1.964 1.964 peak  9236 weight  1.00000E+00 volume  3.59980E+05 ppm1      8.720 ppm2      0.847

ASSI {638}   (( resid 49   and name  HA  ))   (( resid 50   and name  HN  )) 2.724 0.9245 0.9245 peak  9527 weight  1.00000E+00 volume  1.82674E+06 ppm1      8.875 ppm2      5.348

ASSI {639}   (( resid 50   and name  HN  ))   (( resid 49   and name  HB  )) 2.883 1.083 1.083 peak  9539 weight  1.00000E+00 volume  1.09713E+06 ppm1      8.876 ppm2      2.313

ASSI {640}   (( resid 50   and name  HN  ))   (  resid 49   and name  HG1#) 3.218 1.418 1.418 peak  9542 weight  1.00000E+00 volume  1.31392E+06 ppm1      8.877 ppm2      1.071

ASSI {641}   (( resid 50   and name  HN  ))   (  resid 49   and name  HG2#) 3.41 1.611 1.611 peak  9546 weight  1.00000E+00 volume  8.08173E+05 ppm1      8.875 ppm2      0.832

ASSI {642}   (( resid 49   and name  HN  ))   (( resid 50   and name  HN  )) 3.321 1.521 1.521 peak  9651 weight  1.00000E+00 volume  3.21277E+05 ppm1      9.075 ppm2      8.865

ASSI {643}   (( resid 49   and name  HN  ))   (( resid 62   and name  HN  )) 3.181 1.381 1.381 peak  9653 weight  1.00000E+00 volume  4.85592E+05 ppm1      9.078 ppm2      9.649

ASSI {644}   (( resid 49   and name  HN  ))   (( resid 83   and name  HA  )) 3.45 1.65 1.65 peak  9656 weight  1.00000E+00 volume  2.34428E+05 ppm1      9.081 ppm2      6.439

ASSI {645}   (( resid 49   and name  HN  ))   (( resid 49   and name  HA  )) 3.152 1.352 1.352 peak  9657 weight  1.00000E+00 volume  4.79137E+05 ppm1      9.076 ppm2      5.334

ASSI {646}   (( resid 49   and name  HN  ))   (( resid 62   and name  HA  )) 3.072 1.372 3.152 peak  9659 weight  1.00000E+00 volume  6.15077E+05 ppm1      9.079 ppm2      5.041 !2

ASSI {647}   (( resid 49   and name  HN  ))   (( resid 61   and name  HA  )) 3.059 1.259 1.259 peak  9660 weight  1.00000E+00 volume  6.36192E+05 ppm1      9.072 ppm2      4.982

ASSI {648}   (( resid 49   and name  HN  ))   (( resid 62   and name  HB1 )) 3.345 1.645 2.714 peak  9668 weight  1.00000E+00 volume  2.79231E+05 ppm1      9.074 ppm2      1.396 !1

ASSI {649}   (( resid 49   and name  HN  ))   (  resid 49   and name  HG2#) 2.985 1.185 1.185 peak  9672 weight  1.00000E+00 volume  2.42964E+06 ppm1      9.075 ppm2      0.835

ASSI {650}   (  resid 62   and name  HD1#)   (( resid 49   and name  HN  )) 3.569 1.769 1.769 peak  9674 weight  1.00000E+00 volume  5.49227E+05 ppm1      9.081 ppm2      0.276

ASSI {651}   (( resid 49   and name  HN  ))   (  resid 55   and name  HD# ) 3.694 1.994 4.243 peak 11525 weight  1.00000E+00 volume  2.60715E+05 ppm1      9.082 ppm2      6.804 !2

ASSI {652}   (( resid 51   and name  HN  ))   (( resid 50   and name  HA  )) 2.974 1.174 1.174 peak  7506 weight  1.00000E+00 volume  8.28438E+05 ppm1      9.626 ppm2      5.588

ASSI {653}   (( resid 57   and name  HN  ))   (( resid 50   and name  HB1 )) 3.245 1.545 2.785 peak  7560 weight  1.00000E+00 volume  4.10829E+05 ppm1      8.444 ppm2      3.219 !2

ASSI {654}   (( resid 52   and name  HN  ))   (( resid 50   and name  HA  )) 3.024 1.224 1.224 peak  8374 weight  1.00000E+00 volume  7.46921E+05 ppm1      8.266 ppm2      5.598

ASSI {655}   (( resid 50   and name  HN  ))   (( resid 81   and name  HN  )) 3.234 1.433 1.433 peak  9213 weight  1.00000E+00 volume  4.17746E+05 ppm1      8.728 ppm2      8.857

ASSI {656}   (( resid 84   and name  HN  ))   (( resid 50   and name  HN  )) 3.378 1.678 2.949 peak  9516 weight  1.00000E+00 volume  2.87629E+05 ppm1      8.869 ppm2     10.104 !2

ASSI {657}   (( resid 50   and name  HN  ))   (( resid 52   and name  HN  )) 3.382 1.682 2.152 peak  9517 weight  1.00000E+00 volume  2.91342E+05 ppm1      8.873 ppm2      8.269 !1

ASSI {658}   (( resid 50   and name  HN  ))   (( resid 83   and name  HA  )) 2.976 1.176 1.176 peak  9524 weight  1.00000E+00 volume  8.64620E+05 ppm1      8.877 ppm2      6.436

ASSI {659}   (( resid 50   and name  HN  ))   (( resid 50   and name  HA  )) 3.129 1.329 1.329 peak  9529 weight  1.00000E+00 volume  5.66171E+05 ppm1      8.873 ppm2      5.584

ASSI {660}   (( resid 50   and name  HN  ))   (( resid 59   and name  HA  )) 3.596 1.896 3.246 peak  9530 weight  1.00000E+00 volume  1.78543E+05 ppm1      8.891 ppm2      5.128 !2

ASSI {661}   (( resid 50   and name  HN  ))   (( resid 83   and name  HB1 )) 3.227 1.527 1.957 peak  9533 weight  1.00000E+00 volume  4.24214E+05 ppm1      8.868 ppm2      3.720 !1

ASSI {662}   (( resid 50   and name  HN  ))   (( resid 81   and name  HB1 )) 3.322 1.622 2.432 peak  9538 weight  1.00000E+00 volume  3.38684E+05 ppm1      8.871 ppm2      2.971 !1

ASSI {663}   (( resid 50   and name  HN  ))   (  resid 80   and name  HD2#) 3.476 1.676 1.676 peak  9545 weight  1.00000E+00 volume  6.81546E+05 ppm1      8.867 ppm2      1.186

ASSI {664}   (( resid 50   and name  HN  ))   (( resid 51   and name  HN  )) 3.3 1.5 1.5 peak 11450 weight  1.00000E+00 volume  3.45144E+05 ppm1      8.869 ppm2      9.624

ASSI {665}   (( resid 62   and name  HB1 ))   (( resid 50   and name  HN  )) 3.458 1.758 5.679 peak 11461 weight  1.00000E+00 volume  2.41004E+05 ppm1      8.867 ppm2      1.394 !2

ASSI {666}   (( resid 56   and name  HN  ))   (( resid 51   and name  HN  )) 3.502 1.802 3.062 peak  5599 weight  1.00000E+00 volume  2.06451E+05 ppm1      6.357 ppm2      9.629 !2

ASSI {667}   (( resid 58   and name  HN  ))   (( resid 51   and name  HN  )) 3.09 1.39 2.45 peak  6359 weight  1.00000E+00 volume  6.09411E+05 ppm1      8.310 ppm2      9.609 !2

ASSI {668}   (( resid 58   and name  HN  ))   (( resid 51   and name  HG1 )) 3.038 1.338 4.289 peak  6367 weight  1.00000E+00 volume  6.89362E+05 ppm1      8.312 ppm2      2.713 !4

ASSI {669}   (( resid 58   and name  HN  ))   (( resid 51   and name  HB2 )) 2.873 1.173 2.174 peak  6368 weight  1.00000E+00 volume  1.11091E+06 ppm1      8.306 ppm2      2.610 !2

ASSI {670}   (( resid 58   and name  HN  ))   (( resid 51   and name  HB1 )) 2.872 1.172 1.572 peak  6369 weight  1.00000E+00 volume  1.08897E+06 ppm1      8.307 ppm2      2.491 !1

ASSI {671}   (( resid 58   and name  HN  ))   (( resid 51   and name  HG2 )) 3.199 1.499 3.458 peak  6370 weight  1.00000E+00 volume  4.13471E+05 ppm1      8.297 ppm2      1.971 !2

ASSI {672}   (( resid 77   and name  HN  ))   (( resid 51   and name  HG1 )) 3.252 1.552 4.042 peak  7238 weight  1.00000E+00 volume  3.83888E+05 ppm1      7.300 ppm2      2.721 !4

ASSI {673}   (( resid 51   and name  HN  ))   (( resid 51   and name  HA  )) 3.333 1.534 1.534 peak  7507 weight  1.00000E+00 volume  3.05047E+05 ppm1      9.618 ppm2      4.727

ASSI {674}   (( resid 51   and name  HN  ))   (( resid 57   and name  HA2 )) 3.3 1.6 3.0 peak  7509 weight  1.00000E+00 volume  3.37986E+05 ppm1      9.621 ppm2      4.293 !2

ASSI {675}   (( resid 79   and name  HD1 ))   (( resid 51   and name  HN  )) 3.438 1.738 6.458 peak  7511 weight  1.00000E+00 volume  2.38877E+05 ppm1      9.617 ppm2      3.164 !4

ASSI {676}   (( resid 51   and name  HN  ))   (( resid 51   and name  HG1 )) 3.223 1.422 1.422 peak  7516 weight  1.00000E+00 volume  4.07939E+05 ppm1      9.616 ppm2      2.724

ASSI {677}   (( resid 51   and name  HN  ))   (( resid 51   and name  HG2 )) 3.245 1.445 1.445 peak  7519 weight  1.00000E+00 volume  3.81385E+05 ppm1      9.610 ppm2      1.980

ASSI {678}   (  resid 80   and name  HD2#)   (( resid 51   and name  HN  )) 3.639 1.839 1.839 peak  7523 weight  1.00000E+00 volume  4.59646E+05 ppm1      9.613 ppm2      1.179

ASSI {679}   (( resid 57   and name  HN  ))   (( resid 51   and name  HB2 )) 3.133 1.433 3.913 peak  7564 weight  1.00000E+00 volume  5.30002E+05 ppm1      8.435 ppm2      2.632 !3

ASSI {680}   (( resid 57   and name  HN  ))   (( resid 51   and name  HB1 )) 3.072 1.372 2.582 peak  7565 weight  1.00000E+00 volume  6.41632E+05 ppm1      8.435 ppm2      2.477 !2

ASSI {681}   (( resid 57   and name  HN  ))   (( resid 51   and name  HG2 )) 3.409 1.709 4.279 peak  7567 weight  1.00000E+00 volume  2.56270E+05 ppm1      8.442 ppm2      1.981 !3

ASSI {682}   (( resid 80   and name  HN  ))   (( resid 51   and name  HA  )) 2.598 0.898 2.838 peak  7783 weight  1.00000E+00 volume  2.67334E+06 ppm1      7.148 ppm2      4.744 !3

ASSI {683}   (( resid 79   and name  HN  ))   (( resid 51   and name  HG1 )) 3.114 1.414 2.884 peak  7910 weight  1.00000E+00 volume  5.45519E+05 ppm1      7.869 ppm2      2.716 !2

ASSI {684}   (( resid 52   and name  HN  ))   (( resid 51   and name  HN  )) 2.889 1.09 1.09 peak  8364 weight  1.00000E+00 volume  1.08407E+06 ppm1      8.264 ppm2      9.618

ASSI {685}   (( resid 52   and name  HN  ))   (( resid 51   and name  HA  )) 3.003 1.203 1.203 peak  8377 weight  1.00000E+00 volume  7.58318E+05 ppm1      8.266 ppm2      4.751

ASSI {686}   (( resid 51   and name  HB2 ))   (( resid 52   and name  HN  )) 2.808 1.108 1.458 peak  8393 weight  1.00000E+00 volume  1.37138E+06 ppm1      8.264 ppm2      2.607 !1

ASSI {687}   (( resid 51   and name  HB1 ))   (( resid 52   and name  HN  )) 2.766 0.966 0.966 peak  8394 weight  1.00000E+00 volume  1.56450E+06 ppm1      8.263 ppm2      2.484

ASSI {688}   (( resid 52   and name  HN  ))   (( resid 51   and name  HG2 )) 2.978 1.178 1.178 peak  8397 weight  1.00000E+00 volume  8.25799E+05 ppm1      8.262 ppm2      1.979

ASSI {689}   (( resid 81   and name  HN  ))   (( resid 51   and name  HA  )) 3.078 1.278 1.278 peak  9220 weight  1.00000E+00 volume  6.27497E+05 ppm1      8.728 ppm2      4.734

ASSI {690}   (( resid 51   and name  HB1 ))   (( resid 81   and name  HN  )) 3.424 1.724 2.634 peak  9229 weight  1.00000E+00 volume  2.36487E+05 ppm1      8.723 ppm2      2.497 !1

ASSI {691}   (( resid 56   and name  HN  ))   (( resid 51   and name  HB1 )) 3.427 1.727 2.697 peak 10051 weight  1.00000E+00 volume  2.61936E+05 ppm1      6.346 ppm2      2.498 !1

ASSI {692}   (( resid 51   and name  HB2 ))   (( resid 51   and name  HN  )) 3.054 1.255 1.255 peak 10688 weight  1.00000E+00 volume  6.52948E+05 ppm1      9.622 ppm2      2.617

ASSI {693}   (( resid 51   and name  HB1 ))   (( resid 51   and name  HN  )) 3.048 1.248 1.248 peak 10689 weight  1.00000E+00 volume  6.63676E+05 ppm1      9.618 ppm2      2.494

ASSI {694}   (( resid 56   and name  HN  ))   (( resid 52   and name  HE  )) 3.336 1.636 4.016 peak  5595 weight  1.00000E+00 volume  3.16653E+05 ppm1      6.349 ppm2      7.037 !3

ASSI {695}   (( resid 56   and name  HN  ))   (( resid 52   and name  HB1 )) 2.947 1.247 2.037 peak  5616 weight  1.00000E+00 volume  9.15987E+05 ppm1      6.349 ppm2      1.806 !1

ASSI {696}   (( resid 56   and name  HN  ))   (( resid 52   and name  HG1 )) 3.118 1.418 3.068 peak  5619 weight  1.00000E+00 volume  5.76340E+05 ppm1      6.355 ppm2      1.477 !2

ASSI {697}   (( resid 57   and name  HN  ))   (( resid 52   and name  HD2 )) 3.141 1.441 3.261 peak  7561 weight  1.00000E+00 volume  5.53058E+05 ppm1      8.438 ppm2      3.086 !2

ASSI {698}   (( resid 57   and name  HN  ))   (( resid 52   and name  HN  )) 2.987 1.287 2.478 peak  8361 weight  1.00000E+00 volume  8.45452E+05 ppm1      8.268 ppm2      8.428 !2

ASSI {699}   (( resid 52   and name  HN  ))   (  resid 55   and name  HD# ) 3.486 1.786 4.546 peak  8370 weight  1.00000E+00 volume  4.27426E+05 ppm1      8.265 ppm2      6.801 !3

ASSI {700}   (( resid 52   and name  HN  ))   (( resid 80   and name  HA  )) 3.199 1.499 2.858 peak  8376 weight  1.00000E+00 volume  4.27459E+05 ppm1      8.258 ppm2      4.973 !2

ASSI {701}   (( resid 52   and name  HN  ))   (( resid 52   and name  HA  )) 2.771 0.971 0.971 peak  8378 weight  1.00000E+00 volume  1.64883E+06 ppm1      8.263 ppm2      4.630

ASSI {702}   (( resid 56   and name  HA  ))   (( resid 52   and name  HN  )) 3.223 1.523 2.863 peak  8380 weight  1.00000E+00 volume  4.00934E+05 ppm1      8.267 ppm2      4.917 !2

ASSI {703}   (( resid 52   and name  HN  ))   (( resid 57   and name  HA2 )) 2.877 1.177 2.027 peak  8382 weight  1.00000E+00 volume  1.05561E+06 ppm1      8.264 ppm2      4.294 !1

ASSI {704}   (( resid 52   and name  HN  ))   (( resid 57   and name  HA1 )) 2.892 1.092 1.092 peak  8384 weight  1.00000E+00 volume  1.03818E+06 ppm1      8.265 ppm2      3.674

ASSI {705}   (( resid 52   and name  HN  ))   (( resid 53   and name  HD1 )) 2.915 1.215 1.995 peak  8385 weight  1.00000E+00 volume  9.85197E+05 ppm1      8.264 ppm2      3.601 !1

ASSI {706}   (( resid 52   and name  HN  ))   (( resid 52   and name  HD2 )) 2.889 1.189 2.529 peak  8388 weight  1.00000E+00 volume  1.10594E+06 ppm1      8.265 ppm2      3.093 !1

ASSI {707}   (( resid 81   and name  HN  ))   (( resid 52   and name  HA  )) 3.492 1.692 1.692 peak  9224 weight  1.00000E+00 volume  2.19770E+05 ppm1      8.730 ppm2      4.619

ASSI {708}   (( resid 56   and name  HN  ))   (( resid 52   and name  HN  )) 2.921 1.122 1.122 peak 10042 weight  1.00000E+00 volume  9.78936E+05 ppm1      6.352 ppm2      8.266

ASSI {709}   (( resid 57   and name  HN  ))   (( resid 52   and name  HE  )) 3.498 1.698 1.698 peak 10699 weight  1.00000E+00 volume  2.06840E+05 ppm1      8.446 ppm2      7.024

ASSI {710}   (( resid 56   and name  HN  ))   (( resid 53   and name  HA  )) 3.222 1.422 1.422 peak  5607 weight  1.00000E+00 volume  4.09413E+05 ppm1      6.352 ppm2      3.945

ASSI {711}   (( resid 56   and name  HN  ))   (( resid 53   and name  HB1 )) 3.262 1.562 4.172 peak  5618 weight  1.00000E+00 volume  3.98840E+05 ppm1      6.354 ppm2      1.597 !3

ASSI {712}   (( resid 55   and name  HN  ))   (( resid 53   and name  HA  )) 2.961 1.161 1.161 peak  6319 weight  1.00000E+00 volume  9.15278E+05 ppm1      7.429 ppm2      3.945

ASSI {713}   (( resid 53   and name  HB1 ))   (( resid 55   and name  HN  )) 3.338 1.638 2.388 peak  6330 weight  1.00000E+00 volume  2.92560E+05 ppm1      7.412 ppm2      1.605 !1

ASSI {714}   (( resid 54   and name  HD22))   (( resid 53   and name  HA  )) 3.451 1.751 2.681 peak  8600 weight  1.00000E+00 volume  2.36350E+05 ppm1      6.792 ppm2      3.946 !1

ASSI {715}   (( resid 53   and name  HA  ))   (( resid 54   and name  HN  )) 2.776 0.976 0.976 peak  9164 weight  1.00000E+00 volume  1.52208E+06 ppm1      9.930 ppm2      3.950

ASSI {716}   (( resid 54   and name  HN  ))   (( resid 53   and name  HG1 )) 3.301 1.601 2.071 peak  9175 weight  1.00000E+00 volume  3.53281E+05 ppm1      9.946 ppm2      1.856 !1

ASSI {717}   (( resid 53   and name  HB2 ))   (( resid 54   and name  HN  )) 3.108 1.308 1.308 peak  9176 weight  1.00000E+00 volume  5.59632E+05 ppm1      9.932 ppm2      2.149

ASSI {718}   (( resid 53   and name  HB1 ))   (( resid 54   and name  HN  )) 3.136 1.336 1.336 peak  9179 weight  1.00000E+00 volume  5.35481E+05 ppm1      9.935 ppm2      1.608

ASSI {719}   (( resid 53   and name  HB1 ))   (( resid 81   and name  HN  )) 3.23 1.53 3.65 peak  9232 weight  1.00000E+00 volume  4.21867E+05 ppm1      8.738 ppm2      1.586 !2

ASSI {720}   (( resid 56   and name  HN  ))   (( resid 54   and name  HN  )) 3.351 1.551 1.551 peak  5600 weight  1.00000E+00 volume  3.17438E+05 ppm1      6.360 ppm2      9.930

ASSI {721}   (( resid 54   and name  HD22))   (( resid 54   and name  HA  )) 3.268 1.568 2.118 peak  8602 weight  1.00000E+00 volume  3.64380E+05 ppm1      6.791 ppm2      3.203 !1

ASSI {722}   (( resid 55   and name  HN  ))   (( resid 54   and name  HN  )) 2.908 1.108 1.108 peak  9157 weight  1.00000E+00 volume  1.02269E+06 ppm1      9.935 ppm2      7.415

ASSI {723}   (  resid 56   and name  HB# )   (( resid 54   and name  HN  )) 3.828 2.028 2.028 peak  9180 weight  1.00000E+00 volume  3.17353E+05 ppm1      9.934 ppm2      1.266

ASSI {724}   (( resid 56   and name  HN  ))   (( resid 54   and name  HB1 )) 3.126 1.426 3.086 peak 10050 weight  1.00000E+00 volume  5.38463E+05 ppm1      6.348 ppm2      2.677 !2

ASSI {725}   (( resid 56   and name  HN  ))   (( resid 55   and name  HN  )) 2.672 0.8725 0.8725 peak  5596 weight  1.00000E+00 volume  2.16825E+06 ppm1      6.353 ppm2      7.420

ASSI {726}   (( resid 56   and name  HA  ))   (( resid 55   and name  HN  )) 3.292 1.592 2.392 peak  6317 weight  1.00000E+00 volume  3.56152E+05 ppm1      7.425 ppm2      4.916 !1

ASSI {727}   (  resid 56   and name  HB# )   (( resid 55   and name  HN  )) 3.436 1.635 1.635 peak  6332 weight  1.00000E+00 volume  7.49236E+05 ppm1      7.425 ppm2      1.260

ASSI {728}   (  resid 80   and name  HD1#)   (( resid 55   and name  HN  )) 4.016 2.316 5.566 peak  6333 weight  1.00000E+00 volume  2.14914E+05 ppm1      7.417 ppm2      0.871 !2

ASSI {729}   (( resid 56   and name  HN  ))   (( resid 57   and name  HN  )) 2.895 1.195 1.745 peak  5597 weight  1.00000E+00 volume  1.04344E+06 ppm1      6.354 ppm2      8.436 !1

ASSI {730}   (( resid 56   and name  HN  ))   (( resid 56   and name  HA  )) 2.639 0.839 0.839 peak  5602 weight  1.00000E+00 volume  2.45920E+06 ppm1      6.353 ppm2      4.908

ASSI {731}   (( resid 57   and name  HN  ))   (( resid 56   and name  HA  )) 2.502 0.7015 0.7015 peak  7553 weight  1.00000E+00 volume  3.99674E+06 ppm1      8.441 ppm2      4.905

ASSI {732}   (( resid 57   and name  HN  ))   (  resid 56   and name  HB# ) 2.657 0.8575 0.8575 peak  7571 weight  1.00000E+00 volume  6.99926E+06 ppm1      8.440 ppm2      1.258

ASSI {733}   (( resid 56   and name  HN  ))   (  resid 56   and name  HB# ) 2.57 0.77 0.77 peak 10053 weight  1.00000E+00 volume  9.56828E+06 ppm1      6.352 ppm2      1.261

ASSI {734}   (( resid 57   and name  HN  ))   (( resid 58   and name  HN  )) 2.999 1.299 1.759 peak  6358 weight  1.00000E+00 volume  7.29999E+05 ppm1      8.305 ppm2      8.427 !1

ASSI {735}   (( resid 58   and name  HN  ))   (( resid 57   and name  HA2 )) 2.736 0.9365 0.9365 peak  6363 weight  1.00000E+00 volume  1.72008E+06 ppm1      8.307 ppm2      4.292

ASSI {736}   (( resid 57   and name  HN  ))   (( resid 57   and name  HA2 )) 2.643 0.8435 0.8435 peak  7556 weight  1.00000E+00 volume  2.38776E+06 ppm1      8.438 ppm2      4.295

ASSI {737}   (( resid 57   and name  HN  ))   (( resid 57   and name  HA1 )) 2.534 0.734 0.734 peak  7558 weight  1.00000E+00 volume  3.50057E+06 ppm1      8.440 ppm2      3.677

ASSI {738}   (( resid 58   and name  HN  ))   (  resid 58   and name  HE# ) 3.571 1.871 2.53 peak  6362 weight  1.00000E+00 volume  3.64263E+05 ppm1      8.286 ppm2      6.850 !1

ASSI {739}   (( resid 58   and name  HN  ))   (( resid 58   and name  HA  )) 2.999 1.199 1.199 peak  6364 weight  1.00000E+00 volume  7.20599E+05 ppm1      8.308 ppm2      4.211

ASSI {740}   (( resid 58   and name  HN  ))   (  resid 58   and name  HB# ) 2.809 1.009 1.009 peak  6366 weight  1.00000E+00 volume  1.34775E+06 ppm1      8.310 ppm2      2.923

ASSI {741}   (( resid 61   and name  HN  ))   (( resid 60   and name  HA  )) 2.773 0.973 0.973 peak  8580 weight  1.00000E+00 volume  1.54865E+06 ppm1      8.179 ppm2      4.653

ASSI {742}   (( resid 61   and name  HN  ))   (( resid 60   and name  HB2 )) 3.179 1.38 1.38 peak  8581 weight  1.00000E+00 volume  4.51811E+05 ppm1      8.178 ppm2      3.207

ASSI {743}   (( resid 61   and name  HN  ))   (( resid 60   and name  HB1 )) 3.106 1.306 1.306 peak  8583 weight  1.00000E+00 volume  5.71191E+05 ppm1      8.184 ppm2      2.344

ASSI {744}   (( resid 62   and name  HN  ))   (( resid 61   and name  HA  )) 2.7 0.9 0.9 peak  5854 weight  1.00000E+00 volume  1.94017E+06 ppm1      9.648 ppm2      4.978

ASSI {745}   (( resid 62   and name  HN  ))   (( resid 61   and name  HB  )) 3.157 1.357 1.357 peak  5861 weight  1.00000E+00 volume  4.82544E+05 ppm1      9.647 ppm2      2.054

ASSI {746}   (( resid 62   and name  HN  ))   (( resid 61   and name  HG11)) 3.196 1.396 1.396 peak  5863 weight  1.00000E+00 volume  4.44364E+05 ppm1      9.645 ppm2      1.524

ASSI {747}   (( resid 61   and name  HG12))   (( resid 87   and name  HN  )) 3.501 1.801 5.321 peak  8181 weight  1.00000E+00 volume  2.33093E+05 ppm1      8.662 ppm2      1.154 !1

ASSI {748}   (( resid 62   and name  HN  ))   (( resid 61   and name  HN  )) 3.401 1.601 1.601 peak  8575 weight  1.00000E+00 volume  2.47617E+05 ppm1      8.167 ppm2      9.641

ASSI {749}   (( resid 61   and name  HA  ))   (( resid 61   and name  HN  )) 3.117 1.317 1.317 peak  8577 weight  1.00000E+00 volume  5.69434E+05 ppm1      8.177 ppm2      4.971

ASSI {750}   (( resid 61   and name  HN  ))   (( resid 61   and name  HB  )) 2.76 0.96 0.96 peak  8585 weight  1.00000E+00 volume  1.62946E+06 ppm1      8.176 ppm2      2.051

ASSI {751}   (( resid 61   and name  HG11))   (( resid 61   and name  HN  )) 2.985 1.185 1.185 peak  8587 weight  1.00000E+00 volume  7.67225E+05 ppm1      8.177 ppm2      1.515

ASSI {752}   (  resid 62   and name  HD1#)   (( resid 61   and name  HN  )) 3.652 1.952 3.122 peak  8594 weight  1.00000E+00 volume  4.52971E+05 ppm1      8.179 ppm2      0.293 !2

ASSI {753}   (( resid 62   and name  HN  ))   (( resid 63   and name  HD1 )) 3.357 1.557 1.557 peak  5858 weight  1.00000E+00 volume  2.99925E+05 ppm1      9.652 ppm2      4.151

ASSI {754}   (( resid 62   and name  HN  ))   (  resid 63   and name  HG# ) 3.243 1.543 2.703 peak  5862 weight  1.00000E+00 volume  3.63930E+05 ppm1      9.640 ppm2      1.989 !1

ASSI {755}   (( resid 62   and name  HB2 ))   (( resid 62   and name  HN  )) 2.94 1.14 1.14 peak  5865 weight  1.00000E+00 volume  8.85341E+05 ppm1      9.648 ppm2      1.354

ASSI {756}   (  resid 62   and name  HD1#)   (( resid 62   and name  HN  )) 3.285 1.485 1.485 peak  5872 weight  1.00000E+00 volume  1.07026E+06 ppm1      9.643 ppm2      0.285

ASSI {757}   (( resid 62   and name  HN  ))   (  resid 8    and name  HD1#) 3.987 2.187 2.187 peak  5873 weight  1.00000E+00 volume  2.25427E+05 ppm1      9.654 ppm2     -0.092

ASSI {758}   (  resid 62   and name  HD2#)   (( resid 62   and name  HN  )) 3.78 1.98 1.98 peak  5874 weight  1.00000E+00 volume  3.42510E+05 ppm1      9.651 ppm2     -0.239

ASSI {759}   (( resid 62   and name  HB1 ))   (( resid 65   and name  HN  )) 3.36 1.66 3.18 peak  7059 weight  1.00000E+00 volume  2.95918E+05 ppm1      8.666 ppm2      1.391 !1

ASSI {760}   (  resid 62   and name  HD1#)   (( resid 65   and name  HN  )) 4.123 2.423 3.653 peak  7065 weight  1.00000E+00 volume  1.75760E+05 ppm1      8.666 ppm2      0.289 !2

ASSI {761}   (( resid 73   and name  HN  ))   (( resid 62   and name  HG  )) 3.087 1.387 3.747 peak  8313 weight  1.00000E+00 volume  5.92101E+05 ppm1      7.278 ppm2      1.115 !2

ASSI {762}   (  resid 62   and name  HD1#)   (( resid 73   and name  HN  )) 3.66 1.96 2.3 peak  8316 weight  1.00000E+00 volume  4.76444E+05 ppm1      7.276 ppm2      0.276 !1

ASSI {763}   (  resid 62   and name  HD2#)   (( resid 73   and name  HN  )) 3.694 1.994 2.524 peak  8317 weight  1.00000E+00 volume  4.32374E+05 ppm1      7.276 ppm2     -0.240 !1

ASSI {764}   (( resid 64   and name  HN  ))   (( resid 63   and name  HB2 )) 2.504 0.704 0.704 peak  8087 weight  1.00000E+00 volume  3.90928E+06 ppm1      8.554 ppm2      2.458

ASSI {765}   (( resid 64   and name  HA  ))   (( resid 64   and name  HE21)) 3.232 1.432 1.432 peak  5996 weight  1.00000E+00 volume  3.92356E+05 ppm1      7.580 ppm2      4.027

ASSI {766}   (( resid 64   and name  HE22))   (( resid 64   and name  HA  )) 3.309 1.509 1.509 peak  5997 weight  1.00000E+00 volume  3.14890E+05 ppm1      6.919 ppm2      4.021

ASSI {767}   (( resid 66   and name  HN  ))   (( resid 64   and name  HE22)) 3.014 1.314 2.084 peak  6590 weight  1.00000E+00 volume  7.34170E+05 ppm1      8.328 ppm2      6.921 !1

ASSI {768}   (( resid 66   and name  HN  ))   (( resid 64   and name  HA  )) 2.85 1.15 3.68 peak  6598 weight  1.00000E+00 volume  1.26793E+06 ppm1      8.328 ppm2      4.005 !2

ASSI {769}   (( resid 65   and name  HN  ))   (( resid 64   and name  HE21)) 3.457 1.657 1.657 peak  7043 weight  1.00000E+00 volume  2.27382E+05 ppm1      8.673 ppm2      7.555

ASSI {770}   (( resid 65   and name  HN  ))   (( resid 64   and name  HA  )) 2.609 0.809 0.809 peak  7051 weight  1.00000E+00 volume  2.65542E+06 ppm1      8.662 ppm2      4.010

ASSI {771}   (( resid 64   and name  HG2 ))   (( resid 65   and name  HN  )) 2.932 1.132 1.132 peak  7056 weight  1.00000E+00 volume  9.54814E+05 ppm1      8.664 ppm2      2.320

ASSI {772}   (( resid 65   and name  HN  ))   (( resid 64   and name  HN  )) 2.854 1.154 1.874 peak  8067 weight  1.00000E+00 volume  1.22508E+06 ppm1      8.557 ppm2      8.656 !1

ASSI {773}   (( resid 64   and name  HN  ))   (( resid 64   and name  HE21)) 3.328 1.628 2.028 peak  8071 weight  1.00000E+00 volume  3.41521E+05 ppm1      8.559 ppm2      7.561 !1

ASSI {774}   (( resid 64   and name  HA  ))   (( resid 64   and name  HN  )) 2.76 0.9595 0.9595 peak  8081 weight  1.00000E+00 volume  1.61615E+06 ppm1      8.556 ppm2      4.013

ASSI {775}   (( resid 64   and name  HN  ))   (( resid 65   and name  HA2 )) 3.154 1.454 3.054 peak  8084 weight  1.00000E+00 volume  4.77334E+05 ppm1      8.564 ppm2      3.893 !2

ASSI {776}   (( resid 64   and name  HG2 ))   (( resid 64   and name  HN  )) 2.732 1.032 1.692 peak  8088 weight  1.00000E+00 volume  1.80347E+06 ppm1      8.557 ppm2      2.322 !1

ASSI {777}   (( resid 66   and name  HN  ))   (( resid 65   and name  HN  )) 2.924 1.224 1.664 peak  6586 weight  1.00000E+00 volume  1.01288E+06 ppm1      8.328 ppm2      8.662 !1

ASSI {778}   (( resid 66   and name  HN  ))   (( resid 65   and name  HA2 )) 2.332 0.5315 0.5315 peak  6599 weight  1.00000E+00 volume  7.96411E+06 ppm1      8.328 ppm2      3.886

ASSI {779}   (( resid 65   and name  HN  ))   (  resid 67   and name  HE# ) 3.41 1.61 1.61 peak  7045 weight  1.00000E+00 volume  5.36890E+05 ppm1      8.663 ppm2      6.830

ASSI {780}   (( resid 65   and name  HN  ))   (( resid 65   and name  HA2 )) 2.688 0.8875 0.8875 peak  7053 weight  1.00000E+00 volume  1.75694E+06 ppm1      8.659 ppm2      3.890

ASSI {781}   (( resid 66   and name  HN  ))   (( resid 67   and name  HN  )) 2.811 1.111 1.891 peak  6587 weight  1.00000E+00 volume  1.40710E+06 ppm1      8.326 ppm2      9.253 !1

ASSI {782}   (( resid 66   and name  HN  ))   (  resid 67   and name  HE# ) 3.261 1.461 1.461 peak  6591 weight  1.00000E+00 volume  7.43890E+05 ppm1      8.329 ppm2      6.859

ASSI {783}   (( resid 66   and name  HN  ))   (( resid 66   and name  HA  )) 2.745 0.9455 0.9455 peak  6594 weight  1.00000E+00 volume  1.75614E+06 ppm1      8.325 ppm2      4.830

ASSI {784}   (( resid 66   and name  HN  ))   (( resid 66   and name  HG1 )) 2.55 0.7495 0.7495 peak  6604 weight  1.00000E+00 volume  3.49122E+06 ppm1      8.328 ppm2      2.279

ASSI {785}   (( resid 67   and name  HN  ))   (( resid 66   and name  HA  )) 2.721 0.921 0.921 peak  6975 weight  1.00000E+00 volume  1.82490E+06 ppm1      9.253 ppm2      4.824

ASSI {786}   (( resid 66   and name  HG1 ))   (( resid 67   and name  HN  )) 3.341 1.542 1.542 peak  6983 weight  1.00000E+00 volume  3.18281E+05 ppm1      9.261 ppm2      2.286

ASSI {787}   (( resid 66   and name  HN  ))   (  resid 67   and name  HD# ) 3.607 1.807 1.807 peak 10358 weight  1.00000E+00 volume  3.51212E+05 ppm1      8.334 ppm2      7.061

ASSI {788}   (( resid 67   and name  HA  ))   (( resid 67   and name  HN  )) 3.085 1.284 1.284 peak  6974 weight  1.00000E+00 volume  5.95460E+05 ppm1      9.259 ppm2      5.156

ASSI {789}   (( resid 68   and name  HD1 ))   (( resid 67   and name  HN  )) 3.271 1.47 1.47 peak  6978 weight  1.00000E+00 volume  3.44851E+05 ppm1      9.253 ppm2      3.914

ASSI {790}   (( resid 72   and name  HB2 ))   (( resid 67   and name  HN  )) 3.264 1.564 3.165 peak  6982 weight  1.00000E+00 volume  3.71402E+05 ppm1      9.260 ppm2      2.432 !2

ASSI {791}   (( resid 67   and name  HN  ))   (( resid 68   and name  HB1 )) 3.248 1.548 2.849 peak  6984 weight  1.00000E+00 volume  3.70351E+05 ppm1      9.250 ppm2      2.119 !2

ASSI {792}   (( resid 69   and name  HN  ))   (( resid 67   and name  HA  )) 2.853 1.053 1.053 peak  7375 weight  1.00000E+00 volume  1.20819E+06 ppm1      6.913 ppm2      5.143

ASSI {793}   (( resid 72   and name  HN  ))   (  resid 67   and name  HD# ) 3.512 1.712 1.712 peak  8922 weight  1.00000E+00 volume  4.15096E+05 ppm1      8.020 ppm2      7.041

ASSI {794}   (( resid 72   and name  HN  ))   (( resid 67   and name  HA  )) 3.454 1.754 2.434 peak  8927 weight  1.00000E+00 volume  2.22734E+05 ppm1      8.030 ppm2      5.152 !1

ASSI {795}   (( resid 71   and name  HN  ))   (( resid 67   and name  HB1 )) 3.548 1.848 3.048 peak  9256 weight  1.00000E+00 volume  1.86880E+05 ppm1      8.516 ppm2      3.214 !2

ASSI {796}   (( resid 73   and name  HN  ))   (  resid 67   and name  HD# ) 3.444 1.643 1.643 peak 10968 weight  1.00000E+00 volume  4.76224E+05 ppm1      7.281 ppm2      7.040

ASSI {797}   (( resid 69   and name  HN  ))   (( resid 68   and name  HD1 )) 2.769 1.069 2.17 peak  7381 weight  1.00000E+00 volume  1.54222E+06 ppm1      6.914 ppm2      3.914 !2

ASSI {798}   (( resid 68   and name  HA  ))   (( resid 69   and name  HN  )) 2.871 1.071 1.071 peak  7384 weight  1.00000E+00 volume  1.15641E+06 ppm1      6.914 ppm2      3.688

ASSI {799}   (( resid 72   and name  HN  ))   (( resid 68   and name  HD1 )) 3.185 1.485 4.715 peak  8930 weight  1.00000E+00 volume  4.53323E+05 ppm1      8.022 ppm2      3.936 !4

ASSI {800}   (( resid 70   and name  HN  ))   (( resid 69   and name  HN  )) 3.149 1.349 1.349 peak  6410 weight  1.00000E+00 volume  4.96029E+05 ppm1      8.418 ppm2      6.913

ASSI {801}   (( resid 69   and name  HN  ))   (( resid 72   and name  HN  )) 2.846 1.146 1.576 peak  7364 weight  1.00000E+00 volume  1.24643E+06 ppm1      6.914 ppm2      8.029 !1

ASSI {802}   (( resid 69   and name  HN  ))   (( resid 71   and name  HN  )) 3.024 1.324 2.624 peak  7365 weight  1.00000E+00 volume  7.32987E+05 ppm1      6.914 ppm2      8.522 !2

ASSI {803}   (( resid 69   and name  HN  ))   (( resid 72   and name  HA  )) 2.979 1.279 2.819 peak  7379 weight  1.00000E+00 volume  8.13691E+05 ppm1      6.914 ppm2      4.377 !2

ASSI {804}   (( resid 70   and name  HB1 ))   (( resid 69   and name  HN  )) 2.824 1.124 3.683 peak  7395 weight  1.00000E+00 volume  1.25373E+06 ppm1      6.915 ppm2      2.314 !2

ASSI {805}   (( resid 69   and name  HN  ))   (( resid 73   and name  HN  )) 3.147 1.447 3.468 peak  8285 weight  1.00000E+00 volume  4.96401E+05 ppm1      7.281 ppm2      6.923 !3

ASSI {806}   (( resid 73   and name  HN  ))   (( resid 69   and name  HG1 )) 2.865 1.165 5.665 peak  8307 weight  1.00000E+00 volume  1.15076E+06 ppm1      7.276 ppm2      1.953 !4

ASSI {807}   (( resid 71   and name  HN  ))   (( resid 69   and name  HA  )) 3.108 1.408 1.808 peak  9250 weight  1.00000E+00 volume  5.58503E+05 ppm1      8.521 ppm2      5.363 !1

ASSI {808}   (( resid 75   and name  HN  ))   (  resid 70   and name  HD# ) 3.706 1.906 1.906 peak  5063 weight  1.00000E+00 volume  2.75336E+05 ppm1      7.561 ppm2      6.591

ASSI {809}   (( resid 78   and name  HN  ))   (  resid 70   and name  HE# ) 3.477 1.777 3.227 peak  5353 weight  1.00000E+00 volume  4.54743E+05 ppm1      7.715 ppm2      6.540 !3

ASSI {810}   (( resid 70   and name  HN  ))   (( resid 73   and name  HZ3 )) 3.254 1.554 4.994 peak  6411 weight  1.00000E+00 volume  3.77845E+05 ppm1      8.409 ppm2      6.685 !2

ASSI {811}   (( resid 70   and name  HN  ))   (( resid 70   and name  HB1 )) 2.833 1.033 1.033 peak  6416 weight  1.00000E+00 volume  1.21525E+06 ppm1      8.408 ppm2      2.308

ASSI {812}   (( resid 77   and name  HN  ))   (  resid 70   and name  HD# ) 3.46 1.66 1.66 peak  7228 weight  1.00000E+00 volume  4.51033E+05 ppm1      7.304 ppm2      6.591

ASSI {813}   (( resid 70   and name  HB2 ))   (( resid 77   and name  HN  )) 3.476 1.676 1.676 peak  7240 weight  1.00000E+00 volume  2.21130E+05 ppm1      7.292 ppm2      2.179

ASSI {814}   (( resid 70   and name  HB1 ))   (( resid 77   and name  HN  )) 3.61 1.91 3.12 peak  7241 weight  1.00000E+00 volume  1.61832E+05 ppm1      7.309 ppm2      2.294 !2

ASSI {815}   (( resid 70   and name  HB1 ))   (( resid 72   and name  HN  )) 3.236 1.536 2.306 peak  8937 weight  1.00000E+00 volume  4.08084E+05 ppm1      8.016 ppm2      2.311 !1

ASSI {816}   (( resid 70   and name  HN  ))   (( resid 71   and name  HN  )) 2.811 1.01 1.01 peak  9237 weight  1.00000E+00 volume  1.33528E+06 ppm1      8.519 ppm2      8.410

ASSI {817}   (( resid 70   and name  HB1 ))   (( resid 71   and name  HN  )) 3.117 1.317 1.317 peak  9258 weight  1.00000E+00 volume  5.60601E+05 ppm1      8.521 ppm2      2.311

ASSI {818}   (( resid 75   and name  HN  ))   (( resid 71   and name  HG2 )) 3.783 1.983 1.983 peak  5073 weight  1.00000E+00 volume  1.14144E+05 ppm1      7.557 ppm2      2.097

ASSI {819}   (( resid 71   and name  HE22))   (( resid 71   and name  HA  )) 3.41 1.71 3.09 peak  6038 weight  1.00000E+00 volume  2.74360E+05 ppm1      6.216 ppm2      3.820 !2

ASSI {820}   (( resid 73   and name  HN  ))   (( resid 71   and name  HN  )) 3.07 1.27 1.27 peak  8280 weight  1.00000E+00 volume  6.42016E+05 ppm1      7.276 ppm2      8.509

ASSI {821}   (( resid 73   and name  HN  ))   (( resid 71   and name  HB1 )) 2.98 1.28 2.22 peak  8309 weight  1.00000E+00 volume  7.78260E+05 ppm1      7.276 ppm2      1.839 !1

ASSI {822}   (( resid 73   and name  HN  ))   (( resid 71   and name  HB2 )) 3.123 1.423 2.734 peak  8310 weight  1.00000E+00 volume  5.49578E+05 ppm1      7.277 ppm2      1.748 !2

ASSI {823}   (( resid 71   and name  HB1 ))   (( resid 74   and name  HN  )) 3.351 1.651 2.77 peak  9050 weight  1.00000E+00 volume  2.97802E+05 ppm1      7.637 ppm2      1.822 !2

ASSI {824}   (( resid 71   and name  HB2 ))   (( resid 74   and name  HN  )) 3.387 1.687 3.127 peak  9051 weight  1.00000E+00 volume  2.73317E+05 ppm1      7.649 ppm2      1.744 !2

ASSI {825}   (( resid 71   and name  HN  ))   (( resid 72   and name  HN  )) 2.84 1.04 1.04 peak  9238 weight  1.00000E+00 volume  1.22866E+06 ppm1      8.518 ppm2      8.026

ASSI {826}   (( resid 75   and name  HN  ))   (( resid 71   and name  HN  )) 3.184 1.484 1.934 peak  9242 weight  1.00000E+00 volume  4.63332E+05 ppm1      8.522 ppm2      7.552 !1

ASSI {827}   (( resid 71   and name  HN  ))   (( resid 71   and name  HE21)) 3.321 1.521 1.521 peak  9244 weight  1.00000E+00 volume  3.03945E+05 ppm1      8.522 ppm2      7.163

ASSI {828}   (( resid 71   and name  HN  ))   (( resid 73   and name  HZ3 )) 3.241 1.541 6.261 peak  9246 weight  1.00000E+00 volume  3.84460E+05 ppm1      8.514 ppm2      6.689 !3

ASSI {829}   (( resid 71   and name  HE22))   (( resid 71   and name  HN  )) 3.423 1.723 2.673 peak  9249 weight  1.00000E+00 volume  2.47618E+05 ppm1      8.522 ppm2      6.210 !2

ASSI {830}   (( resid 71   and name  HN  ))   (( resid 72   and name  HA  )) 3.357 1.657 2.867 peak  9251 weight  1.00000E+00 volume  2.97046E+05 ppm1      8.510 ppm2      4.385 !2

ASSI {831}   (( resid 71   and name  HN  ))   (( resid 75   and name  HA2 )) 3.459 1.659 1.659 peak  9254 weight  1.00000E+00 volume  2.29084E+05 ppm1      8.526 ppm2      3.679

ASSI {832}   (( resid 71   and name  HN  ))   (  resid 72   and name  HD# ) 3.446 1.746 2.446 peak  9255 weight  1.00000E+00 volume  2.20300E+05 ppm1      8.522 ppm2      3.438 !1

ASSI {833}   (( resid 73   and name  HN  ))   (( resid 72   and name  HE  )) 2.734 1.034 4.974 peak  8275 weight  1.00000E+00 volume  1.73751E+06 ppm1      7.282 ppm2      7.730 !4

ASSI {834}   (( resid 73   and name  HN  ))   (( resid 72   and name  HN  )) 2.606 0.806 0.806 peak  8278 weight  1.00000E+00 volume  2.75981E+06 ppm1      7.278 ppm2      8.030

ASSI {835}   (( resid 73   and name  HN  ))   (( resid 72   and name  HA  )) 2.882 1.082 1.082 peak  8292 weight  1.00000E+00 volume  1.12559E+06 ppm1      7.279 ppm2      4.368

ASSI {836}   (( resid 73   and name  HN  ))   (  resid 72   and name  HD# ) 2.827 1.127 2.316 peak  8297 weight  1.00000E+00 volume  1.31075E+06 ppm1      7.277 ppm2      3.438 !1

ASSI {837}   (( resid 73   and name  HN  ))   (  resid 72   and name  HG# ) 2.865 1.165 2.125 peak  8308 weight  1.00000E+00 volume  1.15076E+06 ppm1      7.275 ppm2      1.878 !2

ASSI {838}   (( resid 72   and name  HA  ))   (( resid 72   and name  HN  )) 2.769 0.969 0.969 peak  8928 weight  1.00000E+00 volume  1.50876E+06 ppm1      8.030 ppm2      4.375

ASSI {839}   (( resid 72   and name  HN  ))   (  resid 72   and name  HD# ) 2.829 1.029 1.029 peak  8932 weight  1.00000E+00 volume  1.26374E+06 ppm1      8.030 ppm2      3.416

ASSI {840}   (( resid 72   and name  HN  ))   (( resid 74   and name  HN  )) 3.25 1.45 1.45 peak  9035 weight  1.00000E+00 volume  4.07173E+05 ppm1      7.648 ppm2      8.025

ASSI {841}   (( resid 74   and name  HN  ))   (  resid 72   and name  HG# ) 3.472 1.772 2.202 peak  9049 weight  1.00000E+00 volume  2.23534E+05 ppm1      7.650 ppm2      1.907 !1

ASSI {842}   (( resid 75   and name  HN  ))   (( resid 73   and name  HD1 )) 3.48 1.68 1.68 peak  5065 weight  1.00000E+00 volume  2.42029E+05 ppm1      7.554 ppm2      6.067

ASSI {843}   (( resid 75   and name  HN  ))   (( resid 73   and name  HE1 )) 3.264 1.464 1.464 peak  5076 weight  1.00000E+00 volume  3.86265E+05 ppm1      7.562 ppm2      9.983

ASSI {844}   (( resid 73   and name  HN  ))   (( resid 74   and name  HN  )) 2.571 0.7705 0.7705 peak  8276 weight  1.00000E+00 volume  3.13764E+06 ppm1      7.277 ppm2      7.648

ASSI {845}   (( resid 73   and name  HN  ))   (( resid 74   and name  HA  )) 2.739 1.039 1.849 peak  8294 weight  1.00000E+00 volume  1.73623E+06 ppm1      7.278 ppm2      4.021 !1

ASSI {846}   (( resid 73   and name  HN  ))   (( resid 75   and name  HA2 )) 3.263 1.463 1.463 peak  8296 weight  1.00000E+00 volume  3.84626E+05 ppm1      7.276 ppm2      3.670

ASSI {847}   (( resid 73   and name  HB2 ))   (( resid 74   and name  HN  )) 3.265 1.465 1.465 peak  9040 weight  1.00000E+00 volume  3.49413E+05 ppm1      7.655 ppm2      3.462

ASSI {848}   (( resid 73   and name  HH2 ))   (( resid 78   and name  HN  )) 3.687 1.987 2.427 peak  9924 weight  1.00000E+00 volume  1.44818E+05 ppm1      7.719 ppm2      6.651 !1

ASSI {849}   (( resid 73   and name  HN  ))   (( resid 73   and name  HE3 )) 3.495 1.795 2.225 peak 10976 weight  1.00000E+00 volume  2.18915E+05 ppm1      7.283 ppm2      6.395 !1

ASSI {850}   (( resid 73   and name  HN  ))   (( resid 73   and name  HD1 )) 3.409 1.609 1.609 peak 10977 weight  1.00000E+00 volume  2.62081E+05 ppm1      7.283 ppm2      6.054

ASSI {851}   (( resid 74   and name  HB1 ))   (( resid 73   and name  HN  )) 3.153 1.453 3.243 peak 10984 weight  1.00000E+00 volume  4.80401E+05 ppm1      7.279 ppm2      2.809 !2

ASSI {852}   (( resid 75   and name  HN  ))   (( resid 74   and name  HN  )) 2.772 0.972 0.972 peak  5060 weight  1.00000E+00 volume  1.70932E+06 ppm1      7.557 ppm2      7.646

ASSI {853}   (( resid 75   and name  HN  ))   (( resid 74   and name  HA  )) 2.942 1.143 1.143 peak  5066 weight  1.00000E+00 volume  9.45804E+05 ppm1      7.554 ppm2      4.020

ASSI {854}   (( resid 75   and name  HN  ))   (( resid 74   and name  HB1 )) 2.928 1.228 1.757 peak  5070 weight  1.00000E+00 volume  9.45089E+05 ppm1      7.560 ppm2      2.810 !1

ASSI {855}   (( resid 74   and name  HN  ))   (( resid 74   and name  HA  )) 2.592 0.792 0.792 peak  9038 weight  1.00000E+00 volume  2.83736E+06 ppm1      7.651 ppm2      4.013

ASSI {856}   (( resid 75   and name  HA2 ))   (( resid 74   and name  HN  )) 3.295 1.494 1.494 peak  9041 weight  1.00000E+00 volume  3.25539E+05 ppm1      7.662 ppm2      3.667

ASSI {857}   (( resid 74   and name  HN  ))   (( resid 74   and name  HG2 )) 2.808 1.008 1.008 peak  9042 weight  1.00000E+00 volume  1.35942E+06 ppm1      7.654 ppm2      2.605

ASSI {858}   (( resid 74   and name  HB1 ))   (( resid 74   and name  HN  )) 2.852 1.152 2.112 peak  9044 weight  1.00000E+00 volume  1.17910E+06 ppm1      7.654 ppm2      2.815 !2

ASSI {859}   (( resid 74   and name  HB2 ))   (( resid 74   and name  HN  )) 2.858 1.058 1.058 peak  9046 weight  1.00000E+00 volume  1.18518E+06 ppm1      7.652 ppm2      2.367

ASSI {860}   (( resid 75   and name  HN  ))   (( resid 76   and name  HN  )) 2.478 0.778 1.328 peak  5061 weight  1.00000E+00 volume  4.60279E+06 ppm1      7.558 ppm2      7.559 !1

ASSI {861}   (( resid 75   and name  HN  ))   (( resid 75   and name  HA2 )) 2.972 1.172 1.172 peak  5068 weight  1.00000E+00 volume  8.36852E+05 ppm1      7.560 ppm2      3.669

ASSI {862}   (( resid 75   and name  HA2 ))   (( resid 77   and name  HN  )) 2.937 1.237 1.597 peak  7234 weight  1.00000E+00 volume  9.00396E+05 ppm1      7.306 ppm2      3.682 !1

ASSI {863}   (( resid 78   and name  HN  ))   (( resid 76   and name  HN  )) 2.976 1.276 3.896 peak  6721 weight  1.00000E+00 volume  9.26834E+05 ppm1      7.708 ppm2      7.575 !4

ASSI {864}   (( resid 78   and name  HN  ))   (( resid 76   and name  HB2 )) 3.345 1.645 3.324 peak  6729 weight  1.00000E+00 volume  3.04487E+05 ppm1      7.714 ppm2      1.286 !1

ASSI {865}   (( resid 77   and name  HN  ))   (( resid 76   and name  HA  )) 2.763 0.963 0.963 peak  7232 weight  1.00000E+00 volume  1.61198E+06 ppm1      7.306 ppm2      4.313

ASSI {866}   (( resid 76   and name  HB2 ))   (( resid 77   and name  HN  )) 2.815 1.015 1.015 peak  7246 weight  1.00000E+00 volume  1.33055E+06 ppm1      7.310 ppm2      1.303

ASSI {867}   (( resid 77   and name  HN  ))   (  resid 76   and name  HD2#) 3.485 1.685 1.685 peak  7247 weight  1.00000E+00 volume  6.44547E+05 ppm1      7.306 ppm2      0.740

ASSI {868}   (( resid 77   and name  HN  ))   (  resid 76   and name  HD1#) 3.506 1.707 1.707 peak  7248 weight  1.00000E+00 volume  6.28826E+05 ppm1      7.303 ppm2      0.598

ASSI {869}   (( resid 76   and name  HB1 ))   (( resid 77   and name  HN  )) 2.834 1.134 1.674 peak 10600 weight  1.00000E+00 volume  1.27754E+06 ppm1      7.310 ppm2      1.453 !1

ASSI {870}   (( resid 77   and name  HD21))   (( resid 78   and name  HN  )) 3.316 1.516 1.516 peak  5164 weight  1.00000E+00 volume  2.99919E+05 ppm1      7.862 ppm2      7.727

ASSI {871}   (( resid 79   and name  HN  ))   (( resid 77   and name  HD21)) 2.485 0.785 3.045 peak  5166 weight  1.00000E+00 volume  4.11920E+06 ppm1      7.862 ppm2      7.857 !2

ASSI {872}   (( resid 77   and name  HD21))   (( resid 77   and name  HA  )) 3.49 1.69 1.69 peak  5172 weight  1.00000E+00 volume  2.19898E+05 ppm1      7.857 ppm2      3.596

ASSI {873}   (( resid 77   and name  HD22))   (( resid 77   and name  HA  )) 3.464 1.664 1.664 peak  5173 weight  1.00000E+00 volume  2.19273E+05 ppm1      7.216 ppm2      3.599

ASSI {874}   (( resid 77   and name  HB2 ))   (( resid 78   and name  HN  )) 2.511 0.811 2.091 peak  5363 weight  1.00000E+00 volume  3.87423E+06 ppm1      7.716 ppm2      3.264 !1

ASSI {875}   (( resid 77   and name  HD22))   (( resid 78   and name  HN  )) 2.813 1.113 3.213 peak  6723 weight  1.00000E+00 volume  1.40523E+06 ppm1      7.715 ppm2      7.229 !2

ASSI {876}   (( resid 78   and name  HN  ))   (( resid 77   and name  HN  )) 2.991 1.191 1.191 peak  7223 weight  1.00000E+00 volume  7.38623E+05 ppm1      7.306 ppm2      7.708

ASSI {877}   (( resid 77   and name  HN  ))   (( resid 77   and name  HA  )) 2.716 0.9155 0.9155 peak  7233 weight  1.00000E+00 volume  1.83276E+06 ppm1      7.302 ppm2      3.596

ASSI {878}   (( resid 77   and name  HB2 ))   (( resid 77   and name  HN  )) 3.02 1.22 1.22 peak  7236 weight  1.00000E+00 volume  7.18140E+05 ppm1      7.304 ppm2      3.266

ASSI {879}   (( resid 78   and name  HB1 ))   (( resid 77   and name  HN  )) 3.409 1.709 2.669 peak  7239 weight  1.00000E+00 volume  2.52014E+05 ppm1      7.301 ppm2      2.585 !2

ASSI {880}   (( resid 79   and name  HN  ))   (( resid 77   and name  HA  )) 3.138 1.438 3.317 peak  7905 weight  1.00000E+00 volume  5.21866E+05 ppm1      7.869 ppm2      3.597 !3

ASSI {881}   (( resid 79   and name  HN  ))   (( resid 77   and name  HB2 )) 2.908 1.208 4.718 peak  7907 weight  1.00000E+00 volume  9.93756E+05 ppm1      7.873 ppm2      3.274 !4

ASSI {882}   (( resid 78   and name  HA  ))   (( resid 77   and name  HN  )) 3.474 1.674 1.674 peak 10597 weight  1.00000E+00 volume  2.23155E+05 ppm1      7.297 ppm2      4.643

ASSI {883}   (( resid 78   and name  HN  ))   (( resid 78   and name  HA  )) 2.894 1.094 1.094 peak  5361 weight  1.00000E+00 volume  1.06119E+06 ppm1      7.715 ppm2      4.621

ASSI {884}   (( resid 78   and name  HB1 ))   (( resid 78   and name  HN  )) 2.813 1.013 1.013 peak  5369 weight  1.00000E+00 volume  1.33755E+06 ppm1      7.714 ppm2      2.578

ASSI {885}   (( resid 79   and name  HN  ))   (( resid 78   and name  HN  )) 2.655 0.955 2.605 peak  7889 weight  1.00000E+00 volume  2.26387E+06 ppm1      7.872 ppm2      7.712 !3

ASSI {886}   (( resid 79   and name  HN  ))   (( resid 78   and name  HA  )) 2.781 0.9815 0.9815 peak  7900 weight  1.00000E+00 volume  1.45790E+06 ppm1      7.869 ppm2      4.619

ASSI {887}   (( resid 80   and name  HN  ))   (( resid 79   and name  HA  )) 2.489 0.689 0.689 peak  7782 weight  1.00000E+00 volume  4.07363E+06 ppm1      7.147 ppm2      4.701

ASSI {888}   (( resid 80   and name  HN  ))   (( resid 79   and name  HB2 )) 2.907 1.207 2.547 peak  7791 weight  1.00000E+00 volume  1.01489E+06 ppm1      7.144 ppm2      1.905 !2

ASSI {889}   (( resid 80   and name  HN  ))   (( resid 79   and name  HN  )) 2.862 1.162 1.752 peak  7894 weight  1.00000E+00 volume  1.14493E+06 ppm1      7.872 ppm2      7.155 !1

ASSI {890}   (( resid 79   and name  HB2 ))   (( resid 79   and name  HN  )) 2.54 0.84 1.29 peak  7915 weight  1.00000E+00 volume  3.41965E+06 ppm1      7.871 ppm2      1.901 !1

ASSI {891}   (( resid 79   and name  HN  ))   (  resid 79   and name  HG# ) 2.469 0.769 1.679 peak  7917 weight  1.00000E+00 volume  4.52388E+06 ppm1      7.872 ppm2      1.617 !1

ASSI {892}   (  resid 80   and name  HD2#)   (( resid 79   and name  HN  )) 3.694 1.893 1.893 peak  7918 weight  1.00000E+00 volume  4.08019E+05 ppm1      7.870 ppm2      1.185

ASSI {893}   (( resid 80   and name  HN  ))   (( resid 80   and name  HA  )) 3.022 1.222 1.222 peak  7781 weight  1.00000E+00 volume  7.22407E+05 ppm1      7.151 ppm2      4.985

ASSI {894}   (( resid 80   and name  HB2 ))   (( resid 80   and name  HN  )) 3.038 1.238 1.238 peak  7796 weight  1.00000E+00 volume  6.93938E+05 ppm1      7.149 ppm2      1.329

ASSI {895}   (( resid 80   and name  HN  ))   (  resid 80   and name  HD2#) 3.376 1.576 1.576 peak  7798 weight  1.00000E+00 volume  8.96506E+05 ppm1      7.152 ppm2      1.176

ASSI {896}   (( resid 80   and name  HN  ))   (( resid 81   and name  HN  )) 3.241 1.441 1.441 peak  9217 weight  1.00000E+00 volume  4.09554E+05 ppm1      8.728 ppm2      7.132

ASSI {897}   (( resid 81   and name  HN  ))   (( resid 80   and name  HA  )) 2.833 1.033 1.033 peak  9221 weight  1.00000E+00 volume  1.30291E+06 ppm1      8.730 ppm2      4.989

ASSI {898}   (( resid 80   and name  HB2 ))   (( resid 81   and name  HN  )) 3.194 1.394 1.394 peak  9233 weight  1.00000E+00 volume  4.69997E+05 ppm1      8.732 ppm2      1.320

ASSI {899}   (  resid 80   and name  HD2#)   (( resid 81   and name  HN  )) 3.292 1.492 1.492 peak  9234 weight  1.00000E+00 volume  1.10748E+06 ppm1      8.735 ppm2      1.186

ASSI {900}   (( resid 81   and name  HN  ))   (( resid 82   and name  HN  )) 2.642 0.942 1.772 peak  9215 weight  1.00000E+00 volume  2.43810E+06 ppm1      8.731 ppm2      7.655 !1

ASSI {901}   (( resid 84   and name  HN  ))   (( resid 83   and name  HA  )) 2.816 1.016 1.016 peak  7871 weight  1.00000E+00 volume  1.35201E+06 ppm1     10.102 ppm2      6.441

ASSI {902}   (( resid 84   and name  HN  ))   (( resid 83   and name  HB2 )) 3.037 1.236 1.236 peak  7879 weight  1.00000E+00 volume  6.97405E+05 ppm1     10.101 ppm2      3.602

ASSI {903}   (( resid 84   and name  HN  ))   (( resid 83   and name  HB1 )) 3.075 1.275 1.275 peak  7881 weight  1.00000E+00 volume  6.21219E+05 ppm1     10.099 ppm2      3.714

ASSI {904}   (( resid 85   and name  HN  ))   (  resid 84   and name  HB# ) 3.037 1.236 1.236 peak  5784 weight  1.00000E+00 volume  6.90928E+05 ppm1      8.234 ppm2      1.691

ASSI {905}   (( resid 84   and name  HN  ))   (( resid 84   and name  HA  )) 3.136 1.336 1.336 peak  7878 weight  1.00000E+00 volume  5.67762E+05 ppm1     10.095 ppm2      4.952

ASSI {906}   (( resid 84   and name  HN  ))   (  resid 84   and name  HB# ) 3.24 1.441 1.441 peak  7884 weight  1.00000E+00 volume  4.64224E+05 ppm1     10.098 ppm2      1.695

ASSI {907}   (( resid 85   and name  HN  ))   (( resid 86   and name  HN  )) 3.306 1.506 1.506 peak  5187 weight  1.00000E+00 volume  3.78257E+05 ppm1      8.072 ppm2      8.227

ASSI {908}   (( resid 86   and name  HN  ))   (( resid 85   and name  HA  )) 2.683 0.8825 0.8825 peak  5197 weight  1.00000E+00 volume  2.05882E+06 ppm1      8.074 ppm2      3.199

ASSI {909}   (  resid 85   and name  HB# )   (( resid 86   and name  HN  )) 3.122 1.322 1.322 peak  5203 weight  1.00000E+00 volume  1.67025E+06 ppm1      8.075 ppm2      0.137

ASSI {910}   (( resid 85   and name  HN  ))   (( resid 85   and name  HA  )) 3.117 1.317 1.317 peak  5781 weight  1.00000E+00 volume  5.46706E+05 ppm1      8.234 ppm2      3.200

ASSI {911}   (( resid 85   and name  HN  ))   (  resid 85   and name  HB# ) 2.926 1.126 1.126 peak  5791 weight  1.00000E+00 volume  2.86697E+06 ppm1      8.238 ppm2      0.139

ASSI {912}   (  resid 85   and name  HB# )   (( resid 88   and name  HN  )) 4.102 2.402 3.762 peak  7189 weight  1.00000E+00 volume  1.84892E+05 ppm1      8.687 ppm2      0.139 !2

ASSI {913}   (  resid 85   and name  HB# )   (( resid 87   and name  HN  )) 3.929 2.129 2.129 peak  8183 weight  1.00000E+00 volume  2.50250E+05 ppm1      8.671 ppm2      0.130

ASSI {914}   (( resid 86   and name  HN  ))   (( resid 87   and name  HN  )) 3.235 1.435 1.435 peak  5190 weight  1.00000E+00 volume  4.03261E+05 ppm1      8.072 ppm2      8.666

ASSI {915}   (( resid 86   and name  HN  ))   (( resid 86   and name  HB  )) 2.787 0.987 0.987 peak  5198 weight  1.00000E+00 volume  1.46144E+06 ppm1      8.074 ppm2      1.552

ASSI {916}   (( resid 86   and name  HN  ))   (  resid 87   and name  HB# ) 3.255 1.555 2.915 peak  5474 weight  1.00000E+00 volume  3.82186E+05 ppm1      8.077 ppm2      3.051 !1

ASSI {917}   (( resid 87   and name  HN  ))   (( resid 86   and name  HB  )) 2.891 1.191 1.741 peak  8176 weight  1.00000E+00 volume  1.04295E+06 ppm1      8.667 ppm2      1.561 !1

ASSI {918}   (( resid 88   and name  HN  ))   (( resid 87   and name  HA  )) 2.353 0.5525 0.5525 peak  7169 weight  1.00000E+00 volume  7.22035E+06 ppm1      8.693 ppm2      4.660

ASSI {919}   (( resid 88   and name  HN  ))   (  resid 87   and name  HB# ) 2.614 0.814 0.814 peak  7176 weight  1.00000E+00 volume  2.68332E+06 ppm1      8.694 ppm2      3.050

ASSI {920}   (( resid 87   and name  HN  ))   (( resid 87   and name  HA  )) 2.751 0.951 0.951 peak  8170 weight  1.00000E+00 volume  1.56989E+06 ppm1      8.669 ppm2      4.662

ASSI {921}   (( resid 87   and name  HN  ))   (  resid 87   and name  HB# ) 2.409 0.6085 0.6085 peak  8173 weight  1.00000E+00 volume  5.68091E+06 ppm1      8.669 ppm2      3.052

ASSI {922}   (( resid 88   and name  HN  ))   (( resid 89   and name  HD2 )) 2.922 1.222 1.922 peak  7173 weight  1.00000E+00 volume  9.70353E+05 ppm1      8.692 ppm2      3.611 !1

ASSI {923}   (( resid 88   and name  HN  ))   (( resid 89   and name  HB1 )) 3.392 1.692 3.852 peak  7177 weight  1.00000E+00 volume  2.71470E+05 ppm1      8.686 ppm2      2.021 !2

ASSI {924}   (( resid 88   and name  HN  ))   (( resid 88   and name  HG  )) 2.385 0.685 1.155 peak  7179 weight  1.00000E+00 volume  6.29045E+06 ppm1      8.693 ppm2      1.593 !1
OR {924}   (( resid 88   and name  HN  ))   (( resid 88   and name  HB1 ))

ASSI {925}   (( resid 88   and name  HN  ))   (( resid 88   and name  HB2 )) 2.582 0.782 0.782 peak  7181 weight  1.00000E+00 volume  3.01185E+06 ppm1      8.693 ppm2      1.472

ASSI {926}   (  resid 88   and name  HD2#)   (( resid 88   and name  HN  )) 3.003 1.204 1.204 peak  7187 weight  1.00000E+00 volume  2.24876E+06 ppm1      8.693 ppm2      0.790

ASSI {927}   (( resid 91   and name  HN  ))   (( resid 89   and name  HB2 )) 3.077 1.377 3.117 peak  6027 weight  1.00000E+00 volume  6.29360E+05 ppm1      8.635 ppm2      2.264 !2

ASSI {928}   (( resid 91   and name  HN  ))   (( resid 89   and name  HG1 )) 3.429 1.729 5.479 peak  6028 weight  1.00000E+00 volume  2.50986E+05 ppm1      8.636 ppm2      1.897 !3

ASSI {929}   (( resid 91   and name  HN  ))   (( resid 89   and name  HB1 )) 3.062 1.362 4.452 peak  6030 weight  1.00000E+00 volume  6.20475E+05 ppm1      8.633 ppm2      2.005 !2

ASSI {930}   (( resid 92   and name  HN  ))   (( resid 89   and name  HB1 )) 3.243 1.543 3.233 peak  6244 weight  1.00000E+00 volume  3.90464E+05 ppm1      8.054 ppm2      2.002 !1

ASSI {931}   (( resid 89   and name  HB2 ))   (( resid 90   and name  HN  )) 2.825 1.025 1.025 peak  6660 weight  1.00000E+00 volume  1.25248E+06 ppm1      8.700 ppm2      2.262

ASSI {932}   (( resid 89   and name  HB1 ))   (( resid 90   and name  HN  )) 2.833 1.033 1.033 peak  6661 weight  1.00000E+00 volume  1.22282E+06 ppm1      8.700 ppm2      2.012

ASSI {933}   (( resid 91   and name  HN  ))   (( resid 90   and name  HN  )) 2.085 0.385 2.255 peak  6017 weight  1.00000E+00 volume  2.48248E+07 ppm1      8.633 ppm2      8.695 !3

ASSI {934}   (( resid 91   and name  HN  ))   (( resid 90   and name  HA  )) 2.292 0.592 1.262 peak  6021 weight  1.00000E+00 volume  9.34232E+06 ppm1      8.635 ppm2      4.373 !1

ASSI {935}   (( resid 93   and name  HN  ))   (( resid 90   and name  HA  )) 3.331 1.531 1.531 peak  6468 weight  1.00000E+00 volume  3.35170E+05 ppm1      7.821 ppm2      4.367

ASSI {936}   (( resid 90   and name  HA  ))   (( resid 94   and name  HN  )) 3.231 1.531 5.051 peak  8105 weight  1.00000E+00 volume  4.24782E+05 ppm1      8.352 ppm2      4.360 !3

ASSI {937}   (( resid 92   and name  HN  ))   (( resid 91   and name  HN  )) 2.631 0.931 1.361 peak  6018 weight  1.00000E+00 volume  2.53982E+06 ppm1      8.636 ppm2      8.058 !1

ASSI {938}   (( resid 93   and name  HN  ))   (( resid 91   and name  HN  )) 3.218 1.518 1.968 peak  6019 weight  1.00000E+00 volume  4.42581E+05 ppm1      8.635 ppm2      7.804 !1

ASSI {939}   (( resid 93   and name  HA  ))   (( resid 91   and name  HN  )) 2.837 1.137 3.307 peak  6020 weight  1.00000E+00 volume  1.30648E+06 ppm1      8.634 ppm2      4.502 !3

ASSI {940}   (( resid 91   and name  HN  ))   (( resid 91   and name  HA1 )) 2.37 0.57 0.57 peak  6022 weight  1.00000E+00 volume  6.72158E+06 ppm1      8.635 ppm2      4.153

ASSI {941}   (( resid 93   and name  HN  ))   (( resid 91   and name  HA1 )) 3.147 1.447 2.188 peak  6470 weight  1.00000E+00 volume  5.11783E+05 ppm1      7.815 ppm2      4.155 !1

ASSI {942}   (( resid 92   and name  HN  ))   (( resid 93   and name  HB1 )) 3.218 1.518 3.038 peak  6247 weight  1.00000E+00 volume  4.28035E+05 ppm1      8.056 ppm2      1.781 !2

ASSI {943}   (( resid 92   and name  HN  ))   (( resid 93   and name  HN  )) 2.765 0.965 0.965 peak  6460 weight  1.00000E+00 volume  1.58939E+06 ppm1      7.819 ppm2      8.060

ASSI {944}   (( resid 93   and name  HE22))   (( resid 93   and name  HA  )) 3.431 1.731 2.871 peak  4906 weight  1.00000E+00 volume  2.74077E+05 ppm1      6.874 ppm2      4.475 !1

ASSI {945}   (( resid 93   and name  HE21))   (( resid 93   and name  HN  )) 3.331 1.631 3.501 peak  6463 weight  1.00000E+00 volume  3.19091E+05 ppm1      7.823 ppm2      7.526 !2

ASSI {946}   (( resid 93   and name  HE22))   (( resid 93   and name  HN  )) 3.295 1.595 3.605 peak  6464 weight  1.00000E+00 volume  3.61537E+05 ppm1      7.812 ppm2      6.858 !2

ASSI {947}   (( resid 93   and name  HN  ))   (( resid 93   and name  HB1 )) 2.58 0.88 1.48 peak  6471 weight  1.00000E+00 volume  2.92365E+06 ppm1      7.819 ppm2      1.780 !1

ASSI {948}   (( resid 93   and name  HN  ))   (( resid 93   and name  HG1 )) 2.57 0.87 1.2 peak  6472 weight  1.00000E+00 volume  3.00997E+06 ppm1      7.820 ppm2      2.261 !1

ASSI {949}   (( resid 93   and name  HN  ))   (( resid 93   and name  HB2 )) 2.643 0.943 1.533 peak  6473 weight  1.00000E+00 volume  2.33803E+06 ppm1      7.816 ppm2      1.960 !1

ASSI {950}   (( resid 93   and name  HN  ))   (( resid 95   and name  HB1 )) 3.269 1.569 4.259 peak  6475 weight  1.00000E+00 volume  3.87813E+05 ppm1      7.823 ppm2      1.551 !3

ASSI {951}   (( resid 94   and name  HN  ))   (( resid 93   and name  HB2 )) 2.719 0.919 0.919 peak  8107 weight  1.00000E+00 volume  1.72200E+06 ppm1      8.363 ppm2      1.965

ASSI {952}   (( resid 94   and name  HN  ))   (( resid 93   and name  HB1 )) 2.865 1.065 1.065 peak 11002 weight  1.00000E+00 volume  1.10881E+06 ppm1      8.343 ppm2      1.781

ASSI {953}   (( resid 94   and name  HB1 ))   (( resid 94   and name  HN  )) 2.863 1.063 1.063 peak  8106 weight  1.00000E+00 volume  1.14134E+06 ppm1      8.349 ppm2      2.773

ASSI {954}   (( resid 94   and name  HN  ))   (  resid 94   and name  HD# ) 3.194 1.394 1.394 peak  8329 weight  1.00000E+00 volume  9.11558E+05 ppm1      8.346 ppm2      6.622

ASSI {955}   (( resid 95   and name  HA  ))   (( resid 96   and name  HN  )) 2.702 0.902 0.902 peak  9497 weight  1.00000E+00 volume  1.90883E+06 ppm1      9.040 ppm2      4.999

ASSI {956}   (( resid 96   and name  HN  ))   (  resid 95   and name  HG# ) 2.832 1.032 1.032 peak  9503 weight  1.00000E+00 volume  1.24238E+06 ppm1      9.038 ppm2      1.260

ASSI {957}   (( resid 96   and name  HN  ))   (( resid 95   and name  HB1 )) 2.966 1.166 1.166 peak  9504 weight  1.00000E+00 volume  7.91094E+05 ppm1      9.040 ppm2      1.558

ASSI {958}   (( resid 96   and name  HN  ))   (( resid 98   and name  HG12)) 3.392 1.692 3.412 peak  9506 weight  1.00000E+00 volume  2.52809E+05 ppm1      9.033 ppm2      1.367 !2

ASSI {959}   (  resid 96   and name  HG2#)   (( resid 96   and name  HN  )) 3.094 1.294 1.294 peak  9510 weight  1.00000E+00 volume  1.79052E+06 ppm1      9.042 ppm2     -0.436

ASSI {960}   (( resid 99   and name  HN  ))   (( resid 97   and name  HA  )) 3.202 1.502 2.941 peak  7300 weight  1.00000E+00 volume  4.48324E+05 ppm1      8.086 ppm2      5.162 !1

ASSI {961}   (( resid 97   and name  HN  ))   (( resid 97   and name  HA  )) 3.176 1.376 1.376 peak  9750 weight  1.00000E+00 volume  4.84924E+05 ppm1      8.861 ppm2      5.146

ASSI {962}   (( resid 97   and name  HN  ))   (( resid 97   and name  HG2 )) 3.433 1.633 1.633 peak  9758 weight  1.00000E+00 volume  2.49349E+05 ppm1      8.858 ppm2      2.199

ASSI {963}   (( resid 97   and name  HN  ))   (  resid 98   and name  HD1#) 3.625 1.825 1.825 peak  9769 weight  1.00000E+00 volume  4.78942E+05 ppm1      8.855 ppm2      0.304

ASSI {964}   (( resid 97   and name  HN  ))   (  resid 98   and name  HG2#) 3.812 2.012 2.012 peak  9770 weight  1.00000E+00 volume  3.12652E+05 ppm1      8.861 ppm2      0.424

ASSI {965}   (( resid 99   and name  HN  ))   (( resid 98   and name  HG12)) 3.196 1.396 1.396 peak  7322 weight  1.00000E+00 volume  4.39107E+05 ppm1      8.079 ppm2      1.368

ASSI {966}   (( resid 99   and name  HN  ))   (( resid 98   and name  HG11)) 3.183 1.483 2.263 peak  7327 weight  1.00000E+00 volume  4.52597E+05 ppm1      8.083 ppm2      0.728 !1

ASSI {967}   (( resid 99   and name  HN  ))   (  resid 98   and name  HG2#) 3.201 1.401 1.401 peak  7328 weight  1.00000E+00 volume  1.33545E+06 ppm1      8.085 ppm2      0.412

ASSI {968}   (( resid 99   and name  HN  ))   (  resid 98   and name  HD1#) 3.469 1.669 1.669 peak  7329 weight  1.00000E+00 volume  6.71730E+05 ppm1      8.081 ppm2      0.302

ASSI {969}   (( resid 99   and name  HN  ))   (  resid 99   and name  HD# ) 3.793 1.993 1.993 peak  7292 weight  1.00000E+00 volume  2.19332E+05 ppm1      8.079 ppm2      6.698

ASSI {970}   (( resid 99   and name  HA  ))   (( resid 99   and name  HN  )) 2.965 1.165 1.165 peak  7298 weight  1.00000E+00 volume  8.57652E+05 ppm1      8.082 ppm2      5.498

ASSI {971}   (( resid 106  and name  HN  ))   (( resid 100  and name  HB1 )) 3.466 1.666 1.666 peak  5219 weight  1.00000E+00 volume  2.47616E+05 ppm1      8.377 ppm2      2.430

ASSI {972}   (( resid 106  and name  HN  ))   (( resid 100  and name  HB2 )) 3.21 1.51 3.45 peak  5220 weight  1.00000E+00 volume  4.33195E+05 ppm1      8.372 ppm2      2.318 !2

ASSI {973}   (( resid 100  and name  HN  ))   (( resid 101  and name  HN  )) 2.88 1.079 1.079 peak  5390 weight  1.00000E+00 volume  1.14475E+06 ppm1      7.867 ppm2      8.925

ASSI {974}   (( resid 101  and name  HN  ))   (( resid 100  and name  HA  )) 3.207 1.406 1.406 peak  5394 weight  1.00000E+00 volume  4.52525E+05 ppm1      7.873 ppm2      4.365

ASSI {975}   (( resid 101  and name  HN  ))   (( resid 100  and name  HG1 )) 3.653 1.853 1.853 peak  5400 weight  1.00000E+00 volume  1.73608E+05 ppm1      7.866 ppm2      2.685

ASSI {976}   (( resid 101  and name  HN  ))   (( resid 100  and name  HB2 )) 2.832 1.132 1.641 peak  5402 weight  1.00000E+00 volume  1.31322E+06 ppm1      7.868 ppm2      2.316 !1

ASSI {977}   (( resid 105  and name  HN  ))   (( resid 100  and name  HN  )) 3.44 1.74 2.2 peak  5738 weight  1.00000E+00 volume  2.47600E+05 ppm1      6.476 ppm2      8.927 !1

ASSI {978}   (( resid 105  and name  HN  ))   (( resid 100  and name  HG1 )) 3.242 1.542 5.212 peak  5757 weight  1.00000E+00 volume  3.96985E+05 ppm1      6.474 ppm2      2.689 !2

ASSI {979}   (( resid 100  and name  HN  ))   (( resid 129  and name  HN  )) 3.367 1.667 2.467 peak  6840 weight  1.00000E+00 volume  2.95689E+05 ppm1      8.928 ppm2      7.993 !1

ASSI {980}   (( resid 109  and name  HN  ))   (( resid 100  and name  HN  )) 3.389 1.689 2.359 peak  6841 weight  1.00000E+00 volume  2.78350E+05 ppm1      8.927 ppm2      8.224 !1

ASSI {981}   (( resid 100  and name  HN  ))   (( resid 108  and name  HN  )) 3.585 1.785 1.785 peak  6843 weight  1.00000E+00 volume  1.74517E+05 ppm1      8.930 ppm2      7.739

ASSI {982}   (( resid 100  and name  HN  ))   (  resid 109  and name  HD# ) 3.667 1.967 2.397 peak  6846 weight  1.00000E+00 volume  2.95741E+05 ppm1      8.937 ppm2      6.999 !1

ASSI {983}   (( resid 100  and name  HN  ))   (  resid 99   and name  HD# ) 3.953 2.153 2.153 peak  6849 weight  1.00000E+00 volume  1.58677E+05 ppm1      8.922 ppm2      6.689

ASSI {984}   (( resid 100  and name  HN  ))   (( resid 99   and name  HA  )) 2.747 0.947 0.947 peak  6851 weight  1.00000E+00 volume  1.68320E+06 ppm1      8.934 ppm2      5.493

ASSI {985}   (( resid 100  and name  HN  ))   (( resid 108  and name  HA  )) 3.174 1.474 1.904 peak  6852 weight  1.00000E+00 volume  4.74390E+05 ppm1      8.933 ppm2      4.944 !1

ASSI {986}   (( resid 100  and name  HN  ))   (( resid 98   and name  HA  )) 3.396 1.696 2.625 peak  6854 weight  1.00000E+00 volume  2.49869E+05 ppm1      8.935 ppm2      4.774 !1

ASSI {987}   (( resid 100  and name  HN  ))   (( resid 100  and name  HA  )) 2.928 1.128 1.128 peak  6855 weight  1.00000E+00 volume  9.39109E+05 ppm1      8.933 ppm2      4.365

ASSI {988}   (( resid 100  and name  HN  ))   (( resid 106  and name  HA1 )) 3.517 1.717 1.717 peak  6857 weight  1.00000E+00 volume  2.11650E+05 ppm1      8.937 ppm2      4.097

ASSI {989}   (( resid 100  and name  HN  ))   (( resid 100  and name  HG1 )) 3.088 1.288 1.288 peak  6861 weight  1.00000E+00 volume  6.26955E+05 ppm1      8.931 ppm2      2.690

ASSI {990}   (( resid 100  and name  HN  ))   (( resid 124  and name  HG1 )) 3.165 1.465 2.575 peak  6862 weight  1.00000E+00 volume  4.71460E+05 ppm1      8.936 ppm2      2.553 !1

ASSI {991}   (( resid 100  and name  HN  ))   (( resid 107  and name  HB1 )) 3.166 1.366 1.366 peak  6865 weight  1.00000E+00 volume  4.75447E+05 ppm1      8.934 ppm2      1.844
OR {991}   (( resid 100  and name  HN  ))   (( resid 107  and name  HG1 ))

ASSI {992}   (( resid 100  and name  HN  ))   (( resid 99   and name  HN  )) 3.139 1.339 1.339 peak  7284 weight  1.00000E+00 volume  5.26909E+05 ppm1      8.085 ppm2      8.925

ASSI {993}   (( resid 99   and name  HN  ))   (( resid 100  and name  HG1 )) 3.408 1.708 4.348 peak  7313 weight  1.00000E+00 volume  2.58712E+05 ppm1      8.082 ppm2      2.678 !2

ASSI {994}   (( resid 125  and name  HN  ))   (( resid 100  and name  HG1 )) 3.365 1.565 1.565 peak  8561 weight  1.00000E+00 volume  3.06183E+05 ppm1      8.877 ppm2      2.674

ASSI {995}   (( resid 125  and name  HN  ))   (( resid 100  and name  HB1 )) 3.321 1.621 5.041 peak  8563 weight  1.00000E+00 volume  3.36333E+05 ppm1      8.868 ppm2      2.451 !3

ASSI {996}   (( resid 125  and name  HN  ))   (( resid 100  and name  HG2 )) 3.43 1.73 2.64 peak  8564 weight  1.00000E+00 volume  2.54018E+05 ppm1      8.884 ppm2      2.344 !1

ASSI {997}   (( resid 107  and name  HN  ))   (( resid 100  and name  HA  )) 3.181 1.481 2.751 peak  8702 weight  1.00000E+00 volume  4.78641E+05 ppm1      8.767 ppm2      4.355 !2

ASSI {998}   (( resid 107  and name  HN  ))   (( resid 100  and name  HG1 )) 3.009 1.309 2.869 peak  8707 weight  1.00000E+00 volume  7.74373E+05 ppm1      8.769 ppm2      2.690 !2

ASSI {999}   (( resid 107  and name  HN  ))   (( resid 100  and name  HB1 )) 2.717 0.9175 0.9175 peak  8708 weight  1.00000E+00 volume  1.85137E+06 ppm1      8.766 ppm2      2.437

ASSI {1000}   (( resid 107  and name  HN  ))   (( resid 100  and name  HB2 )) 2.571 0.871 1.361 peak  8709 weight  1.00000E+00 volume  3.10094E+06 ppm1      8.767 ppm2      2.327 !1
OR {1000}   (( resid 107  and name  HN  ))   (( resid 100  and name  HG2 ))

ASSI {1001}   (( resid 100  and name  HN  ))   (( resid 102  and name  HN  )) 3.332 1.632 3.872 peak 11464 weight  1.00000E+00 volume  3.15315E+05 ppm1      8.603 ppm2      8.920 !2

ASSI {1002}   (( resid 102  and name  HN  ))   (( resid 100  and name  HG2 )) 3.274 1.574 3.204 peak 11479 weight  1.00000E+00 volume  3.57286E+05 ppm1      8.600 ppm2      2.351 !2

ASSI {1003}   (( resid 101  and name  HN  ))   (( resid 106  and name  HN  )) 3.263 1.463 1.463 peak  5209 weight  1.00000E+00 volume  3.85285E+05 ppm1      8.368 ppm2      7.867

ASSI {1004}   (( resid 106  and name  HN  ))   (  resid 101  and name  HE# ) 3.293 1.493 1.493 peak  5218 weight  1.00000E+00 volume  3.79113E+05 ppm1      8.378 ppm2      2.908

ASSI {1005}   (( resid 106  and name  HN  ))   (( resid 101  and name  HB2 )) 3.208 1.408 1.408 peak  5221 weight  1.00000E+00 volume  4.07361E+05 ppm1      8.374 ppm2      1.780

ASSI {1006}   (( resid 106  and name  HN  ))   (( resid 101  and name  HD2 )) 2.976 1.175 1.175 peak  5223 weight  1.00000E+00 volume  8.07425E+05 ppm1      8.373 ppm2      1.604

ASSI {1007}   (( resid 106  and name  HN  ))   (( resid 101  and name  HG1 )) 3.235 1.435 1.435 peak  5225 weight  1.00000E+00 volume  4.41875E+05 ppm1      8.377 ppm2      1.179

ASSI {1008}   (( resid 107  and name  HN  ))   (( resid 101  and name  HN  )) 3.152 1.353 1.353 peak  5389 weight  1.00000E+00 volume  5.20587E+05 ppm1      7.868 ppm2      8.767

ASSI {1009}   (( resid 105  and name  HN  ))   (( resid 101  and name  HN  )) 3.772 1.972 1.972 peak  5391 weight  1.00000E+00 volume  1.22868E+05 ppm1      7.868 ppm2      6.476

ASSI {1010}   (( resid 101  and name  HN  ))   (( resid 99   and name  HA  )) 3.506 1.706 1.706 peak  5392 weight  1.00000E+00 volume  2.15932E+05 ppm1      7.865 ppm2      5.495

ASSI {1011}   (( resid 106  and name  HA1 ))   (( resid 101  and name  HN  )) 3.224 1.425 1.425 peak  5395 weight  1.00000E+00 volume  4.28398E+05 ppm1      7.870 ppm2      4.101

ASSI {1012}   (( resid 101  and name  HN  ))   (  resid 99   and name  HB# ) 2.96 1.16 1.16 peak  5398 weight  1.00000E+00 volume  8.85471E+05 ppm1      7.868 ppm2      3.386

ASSI {1013}   (( resid 101  and name  HN  ))   (  resid 101  and name  HE# ) 3.593 1.793 1.793 peak  5399 weight  1.00000E+00 volume  1.95074E+05 ppm1      7.869 ppm2      2.910

ASSI {1014}   (( resid 101  and name  HN  ))   (( resid 101  and name  HB2 )) 2.947 1.147 1.147 peak  5404 weight  1.00000E+00 volume  9.45322E+05 ppm1      7.868 ppm2      1.788

ASSI {1015}   (( resid 101  and name  HN  ))   (( resid 101  and name  HD2 )) 3.288 1.489 1.489 peak  5405 weight  1.00000E+00 volume  3.68316E+05 ppm1      7.868 ppm2      1.616

ASSI {1016}   (( resid 101  and name  HN  ))   (( resid 101  and name  HG2 )) 2.93 1.13 1.13 peak  5407 weight  1.00000E+00 volume  9.90429E+05 ppm1      7.866 ppm2      1.298

ASSI {1017}   (( resid 101  and name  HN  ))   (( resid 101  and name  HG1 )) 2.939 1.139 1.139 peak  5408 weight  1.00000E+00 volume  9.58820E+05 ppm1      7.867 ppm2      1.172

ASSI {1018}   (( resid 101  and name  HN  ))   (( resid 129  and name  HA  )) 3.319 1.619 4.119 peak  5527 weight  1.00000E+00 volume  3.28778E+05 ppm1      7.873 ppm2      4.623 !3

ASSI {1019}   (( resid 101  and name  HN  ))   (( resid 128  and name  HB1 )) 3.213 1.513 2.713 peak  5528 weight  1.00000E+00 volume  4.24878E+05 ppm1      7.872 ppm2      3.143 !2

ASSI {1020}   (( resid 105  and name  HN  ))   (( resid 101  and name  HB2 )) 3.029 1.229 1.229 peak  5762 weight  1.00000E+00 volume  7.18284E+05 ppm1      6.474 ppm2      1.779

ASSI {1021}   (( resid 105  and name  HN  ))   (( resid 101  and name  HG2 )) 3.192 1.492 2.873 peak  5766 weight  1.00000E+00 volume  4.59881E+05 ppm1      6.468 ppm2      1.305 !2

ASSI {1022}   (( resid 105  and name  HN  ))   (( resid 101  and name  HG1 )) 3.312 1.612 2.022 peak  5767 weight  1.00000E+00 volume  3.30890E+05 ppm1      6.476 ppm2      1.171 !1

ASSI {1023}   (( resid 107  and name  HN  ))   (  resid 101  and name  HE# ) 3.14 1.44 1.84 peak  8706 weight  1.00000E+00 volume  5.65945E+05 ppm1      8.767 ppm2      2.909 !1

ASSI {1024}   (( resid 107  and name  HN  ))   (( resid 101  and name  HD2 )) 3.295 1.495 1.495 peak  8714 weight  1.00000E+00 volume  3.67262E+05 ppm1      8.768 ppm2      1.629

ASSI {1025}   (( resid 107  and name  HN  ))   (( resid 101  and name  HB1 )) 3.067 1.367 4.007 peak  8716 weight  1.00000E+00 volume  6.13858E+05 ppm1      8.768 ppm2      1.497 !2

ASSI {1026}   (( resid 107  and name  HN  ))   (( resid 101  and name  HG2 )) 3.202 1.502 2.802 peak  8718 weight  1.00000E+00 volume  4.56612E+05 ppm1      8.763 ppm2      1.297 !2

ASSI {1027}   (( resid 107  and name  HN  ))   (( resid 101  and name  HG1 )) 3.12 1.32 1.32 peak  8719 weight  1.00000E+00 volume  5.44957E+05 ppm1      8.764 ppm2      1.183

ASSI {1028}   (( resid 101  and name  HN  ))   (( resid 102  and name  HN  )) 3.021 1.321 1.67 peak  9551 weight  1.00000E+00 volume  7.52625E+05 ppm1      8.597 ppm2      7.865 !1

ASSI {1029}   (( resid 102  and name  HN  ))   (( resid 101  and name  HG2 )) 2.87 1.17 1.891 peak  9579 weight  1.00000E+00 volume  1.15506E+06 ppm1      8.596 ppm2      1.303 !1

ASSI {1030}   (( resid 108  and name  HN  ))   (( resid 101  and name  HN  )) 3.223 1.523 4.413 peak  9581 weight  1.00000E+00 volume  4.56003E+05 ppm1      7.751 ppm2      7.868 !3

ASSI {1031}   (( resid 102  and name  HN  ))   (( resid 101  and name  HB2 )) 2.673 0.973 2.183 peak 11482 weight  1.00000E+00 volume  2.15560E+06 ppm1      8.598 ppm2      1.786 !2

ASSI {1032}   (( resid 105  and name  HN  ))   (( resid 102  and name  HN  )) 3.287 1.587 2.747 peak  5737 weight  1.00000E+00 volume  3.60993E+05 ppm1      6.477 ppm2      8.594 !2

ASSI {1033}   (( resid 129  and name  HN  ))   (( resid 102  and name  HA2 )) 3.24 1.441 1.441 peak  6217 weight  1.00000E+00 volume  3.80950E+05 ppm1      8.017 ppm2      3.867

ASSI {1034}   (( resid 159  and name  HN  ))   (( resid 102  and name  HA1 )) 3.457 1.757 2.927 peak  8634 weight  1.00000E+00 volume  2.37215E+05 ppm1      7.867 ppm2      3.768 !2

ASSI {1035}   (( resid 102  and name  HN  ))   (( resid 105  and name  HA  )) 3.392 1.692 4.042 peak  9556 weight  1.00000E+00 volume  2.74242E+05 ppm1      8.600 ppm2      4.887 !2

ASSI {1036}   (( resid 102  and name  HN  ))   (( resid 129  and name  HA  )) 3.292 1.592 4.192 peak  9557 weight  1.00000E+00 volume  3.67340E+05 ppm1      8.595 ppm2      4.636 !3

ASSI {1037}   (( resid 128  and name  HB1 ))   (( resid 102  and name  HN  )) 2.924 1.124 1.124 peak  9570 weight  1.00000E+00 volume  9.83764E+05 ppm1      8.595 ppm2      3.145

ASSI {1038}   (( resid 106  and name  HN  ))   (( resid 102  and name  HN  )) 3.386 1.686 4.617 peak  9871 weight  1.00000E+00 volume  2.85121E+05 ppm1      8.373 ppm2      8.607 !2

ASSI {1039}   (( resid 102  and name  HN  ))   (( resid 128  and name  HA  )) 3.331 1.531 1.531 peak 11470 weight  1.00000E+00 volume  3.27524E+05 ppm1      8.603 ppm2      4.743

ASSI {1040}   (( resid 105  and name  HN  ))   (( resid 103  and name  HA  )) 3.189 1.489 2.549 peak  5754 weight  1.00000E+00 volume  4.50143E+05 ppm1      6.471 ppm2      3.071 !1

ASSI {1041}   (( resid 105  and name  HN  ))   (( resid 103  and name  HB1 )) 3.127 1.427 3.336 peak  5759 weight  1.00000E+00 volume  5.41044E+05 ppm1      6.471 ppm2      2.392 !2

ASSI {1042}   (( resid 104  and name  HN  ))   (( resid 103  and name  HA  )) 3.151 1.351 1.351 peak  7937 weight  1.00000E+00 volume  5.13844E+05 ppm1      7.905 ppm2      3.081

ASSI {1043}   (( resid 104  and name  HN  ))   (( resid 103  and name  HB1 )) 3.589 1.789 1.789 peak  7941 weight  1.00000E+00 volume  1.61470E+05 ppm1      7.904 ppm2      2.372

ASSI {1044}   (( resid 130  and name  HN  ))   (  resid 104  and name  HE# ) 3.445 1.645 1.645 peak  5570 weight  1.00000E+00 volume  4.82884E+05 ppm1      9.959 ppm2      7.220

ASSI {1045}   (( resid 105  and name  HN  ))   (  resid 104  and name  HD# ) 3.207 1.406 1.406 peak  5729 weight  1.00000E+00 volume  9.20897E+05 ppm1      6.477 ppm2      6.591

ASSI {1046}   (( resid 105  and name  HN  ))   (  resid 104  and name  HE# ) 3.485 1.785 3.485 peak  5732 weight  1.00000E+00 volume  4.25949E+05 ppm1      6.480 ppm2      7.210 !2

ASSI {1047}   (( resid 105  and name  HN  ))   (( resid 104  and name  HB2 )) 2.952 1.252 2.282 peak  5755 weight  1.00000E+00 volume  8.81687E+05 ppm1      6.474 ppm2      2.934 !2

ASSI {1048}   (( resid 105  and name  HN  ))   (( resid 104  and name  HA  )) 2.666 0.866 0.866 peak  5758 weight  1.00000E+00 volume  2.21585E+06 ppm1      6.476 ppm2      2.573

ASSI {1049}   (( resid 104  and name  HN  ))   (( resid 129  and name  HN  )) 2.703 1.003 4.402 peak  6192 weight  1.00000E+00 volume  1.90170E+06 ppm1      8.019 ppm2      7.901 !4

ASSI {1050}   (( resid 129  and name  HN  ))   (  resid 104  and name  HD# ) 3.588 1.888 3.038 peak  6203 weight  1.00000E+00 volume  3.35450E+05 ppm1      8.018 ppm2      6.588 !2

ASSI {1051}   (  resid 104  and name  HE# )   (( resid 99   and name  HN  )) 3.385 1.685 3.525 peak  7288 weight  1.00000E+00 volume  5.48501E+05 ppm1      8.086 ppm2      7.223 !2

ASSI {1052}   (( resid 99   and name  HN  ))   (  resid 104  and name  HD# ) 3.777 1.978 1.978 peak  7293 weight  1.00000E+00 volume  2.37454E+05 ppm1      8.074 ppm2      6.580

ASSI {1053}   (( resid 104  and name  HN  ))   (( resid 130  and name  HN  )) 3.503 1.803 4.163 peak  7924 weight  1.00000E+00 volume  2.11632E+05 ppm1      7.924 ppm2      9.962 !3

ASSI {1054}   (( resid 104  and name  HN  ))   (  resid 104  and name  HD# ) 3.417 1.617 1.617 peak  7927 weight  1.00000E+00 volume  5.06996E+05 ppm1      7.904 ppm2      6.586

ASSI {1055}   (( resid 104  and name  HN  ))   (( resid 129  and name  HA  )) 3.468 1.768 3.338 peak  7930 weight  1.00000E+00 volume  2.37212E+05 ppm1      7.922 ppm2      4.615 !2

ASSI {1056}   (( resid 104  and name  HN  ))   (( resid 104  and name  HB1 )) 3.362 1.562 1.562 peak  7942 weight  1.00000E+00 volume  2.85531E+05 ppm1      7.916 ppm2      2.080

ASSI {1057}   (( resid 106  and name  HN  ))   (( resid 105  and name  HA  )) 2.502 0.7015 0.7015 peak  5212 weight  1.00000E+00 volume  3.98858E+06 ppm1      8.374 ppm2      4.890

ASSI {1058}   (( resid 105  and name  HN  ))   (( resid 106  and name  HN  )) 2.882 1.182 1.752 peak  5736 weight  1.00000E+00 volume  1.11166E+06 ppm1      6.476 ppm2      8.370 !1

ASSI {1059}   (( resid 105  and name  HN  ))   (( resid 105  and name  HA  )) 2.697 0.8975 0.8975 peak  5743 weight  1.00000E+00 volume  1.99112E+06 ppm1      6.475 ppm2      4.886

ASSI {1060}   (( resid 105  and name  HN  ))   (( resid 98   and name  HA  )) 3.204 1.504 4.614 peak  5744 weight  1.00000E+00 volume  4.59651E+05 ppm1      6.474 ppm2      4.762 !2

ASSI {1061}   (( resid 105  and name  HN  ))   (( resid 129  and name  HA  )) 3.229 1.529 3.919 peak  5745 weight  1.00000E+00 volume  4.19698E+05 ppm1      6.474 ppm2      4.639 !3

ASSI {1062}   (( resid 105  and name  HN  ))   (( resid 129  and name  HB2 )) 3.268 1.568 2.548 peak  5746 weight  1.00000E+00 volume  3.59727E+05 ppm1      6.475 ppm2      4.293 !2

ASSI {1063}   (( resid 105  and name  HN  ))   (  resid 105  and name  HB# ) 2.433 0.6325 0.6325 peak  5749 weight  1.00000E+00 volume  5.20923E+06 ppm1      6.475 ppm2      3.761

ASSI {1064}   (( resid 107  and name  HN  ))   (( resid 105  and name  HB2 )) 3.07 1.37 4.64 peak  8705 weight  1.00000E+00 volume  6.22563E+05 ppm1      8.764 ppm2      3.746 !3

ASSI {1065}   (( resid 108  and name  HN  ))   (( resid 105  and name  HA  )) 3.261 1.561 5.562 peak  9587 weight  1.00000E+00 volume  3.75109E+05 ppm1      7.751 ppm2      4.889 !3

ASSI {1066}   (( resid 106  and name  HA1 ))   (( resid 106  and name  HN  )) 2.617 0.817 0.817 peak  5213 weight  1.00000E+00 volume  2.63193E+06 ppm1      8.375 ppm2      4.096

ASSI {1067}   (( resid 106  and name  HN  ))   (( resid 107  and name  HB1 )) 2.957 1.257 4.327 peak  5482 weight  1.00000E+00 volume  8.46488E+05 ppm1      8.368 ppm2      1.841 !3
OR {1067}   (( resid 106  and name  HN  ))   (( resid 107  and name  HG1 ))

ASSI {1068}   (( resid 107  and name  HN  ))   (( resid 106  and name  HN  )) 2.889 1.189 1.859 peak  8693 weight  1.00000E+00 volume  1.12065E+06 ppm1      8.764 ppm2      8.369 !1

ASSI {1069}   (( resid 107  and name  HN  ))   (( resid 106  and name  HA1 )) 2.632 0.832 0.832 peak  8703 weight  1.00000E+00 volume  2.52677E+06 ppm1      8.767 ppm2      4.094

ASSI {1070}   (( resid 108  and name  HN  ))   (( resid 107  and name  HE21)) 2.83 1.03 1.03 peak  5279 weight  1.00000E+00 volume  1.29515E+06 ppm1      6.918 ppm2      7.738

ASSI {1071}   (( resid 107  and name  HN  ))   (( resid 108  and name  HN  )) 3.011 1.311 2.412 peak  8696 weight  1.00000E+00 volume  7.75324E+05 ppm1      8.764 ppm2      7.739 !2

ASSI {1072}   (( resid 107  and name  HN  ))   (( resid 99   and name  HA  )) 3.48 1.68 1.68 peak  8698 weight  1.00000E+00 volume  2.33335E+05 ppm1      8.765 ppm2      5.485

ASSI {1073}   (( resid 107  and name  HN  ))   (( resid 124  and name  HG1 )) 3.195 1.495 4.545 peak  8710 weight  1.00000E+00 volume  4.63153E+05 ppm1      8.762 ppm2      2.572 !3

ASSI {1074}   (( resid 107  and name  HN  ))   (( resid 124  and name  HB1 )) 3.164 1.464 5.834 peak  8711 weight  1.00000E+00 volume  4.93533E+05 ppm1      8.762 ppm2      2.187 !4

ASSI {1075}   (( resid 107  and name  HN  ))   (( resid 107  and name  HB2 )) 2.587 0.787 0.787 peak  8712 weight  1.00000E+00 volume  2.92937E+06 ppm1      8.766 ppm2      2.050

ASSI {1076}   (( resid 108  and name  HN  ))   (( resid 107  and name  HB2 )) 2.842 1.142 1.882 peak  9592 weight  1.00000E+00 volume  1.25543E+06 ppm1      7.746 ppm2      2.050 !1

ASSI {1077}   (( resid 108  and name  HN  ))   (( resid 107  and name  HB1 )) 2.684 0.984 1.414 peak  9593 weight  1.00000E+00 volume  2.07566E+06 ppm1      7.748 ppm2      1.842 !1
OR {1077}   (( resid 108  and name  HN  ))   (( resid 107  and name  HG1 ))

ASSI {1078}   (( resid 107  and name  HN  ))   (( resid 107  and name  HE21)) 3.498 1.798 2.539 peak  9892 weight  1.00000E+00 volume  2.27487E+05 ppm1      6.916 ppm2      8.783 !1

ASSI {1079}   (( resid 108  and name  HN  ))   (( resid 99   and name  HN  )) 3.337 1.637 5.027 peak  7287 weight  1.00000E+00 volume  3.05749E+05 ppm1      8.081 ppm2      7.744 !4

ASSI {1080}   (( resid 109  and name  HN  ))   (( resid 108  and name  HN  )) 3.072 1.272 1.272 peak  9185 weight  1.00000E+00 volume  6.44732E+05 ppm1      8.225 ppm2      7.744

ASSI {1081}   (( resid 109  and name  HN  ))   (( resid 108  and name  HA  )) 2.675 0.875 0.875 peak  9191 weight  1.00000E+00 volume  2.11995E+06 ppm1      8.228 ppm2      4.944

ASSI {1082}   (( resid 109  and name  HN  ))   (  resid 108  and name  HE# ) 3.42 1.62 1.62 peak  9202 weight  1.00000E+00 volume  7.65542E+05 ppm1      8.226 ppm2      1.800

ASSI {1083}   (( resid 109  and name  HN  ))   (( resid 108  and name  HG1 )) 2.607 0.907 1.477 peak  9204 weight  1.00000E+00 volume  2.67140E+06 ppm1      8.228 ppm2      1.407 !1

ASSI {1084}   (( resid 108  and name  HN  ))   (( resid 108  and name  HA  )) 3.024 1.224 1.224 peak  9586 weight  1.00000E+00 volume  7.00283E+05 ppm1      7.747 ppm2      4.952

ASSI {1085}   (( resid 108  and name  HN  ))   (( resid 108  and name  HG1 )) 2.854 1.154 1.954 peak  9596 weight  1.00000E+00 volume  1.18539E+06 ppm1      7.745 ppm2      1.410 !1

ASSI {1086}   (( resid 108  and name  HN  ))   (( resid 108  and name  HG2 )) 2.687 0.987 1.727 peak  9597 weight  1.00000E+00 volume  1.99588E+06 ppm1      7.750 ppm2      1.467 !1

ASSI {1087}   (( resid 109  and name  HA  ))   (( resid 111  and name  HN  )) 3.301 1.601 3.731 peak  5891 weight  1.00000E+00 volume  3.48394E+05 ppm1      8.869 ppm2      4.579 !3

ASSI {1088}   (( resid 99   and name  HN  ))   (  resid 109  and name  HD# ) 3.249 1.549 3.769 peak  7290 weight  1.00000E+00 volume  7.61803E+05 ppm1      8.083 ppm2      6.992 !2

ASSI {1089}   (( resid 110  and name  HN  ))   (( resid 109  and name  HA  )) 2.536 0.736 0.736 peak  7664 weight  1.00000E+00 volume  3.47037E+06 ppm1      8.803 ppm2      4.584

ASSI {1090}   (( resid 110  and name  HN  ))   (( resid 109  and name  HB2 )) 2.88 1.18 1.65 peak  7666 weight  1.00000E+00 volume  1.09921E+06 ppm1      8.804 ppm2      2.599 !1

ASSI {1091}   (( resid 109  and name  HN  ))   (( resid 110  and name  HN  )) 2.827 1.127 1.766 peak  9183 weight  1.00000E+00 volume  1.29039E+06 ppm1      8.225 ppm2      8.802 !1

ASSI {1092}   (( resid 109  and name  HN  ))   (( resid 99   and name  HA  )) 3.005 1.305 1.745 peak  9189 weight  1.00000E+00 volume  7.72356E+05 ppm1      8.232 ppm2      5.487 !1

ASSI {1093}   (( resid 109  and name  HN  ))   (( resid 97   and name  HA  )) 3.18 1.38 1.38 peak  9190 weight  1.00000E+00 volume  4.78358E+05 ppm1      8.225 ppm2      5.155

ASSI {1094}   (( resid 109  and name  HN  ))   (( resid 109  and name  HA  )) 2.892 1.092 1.092 peak  9193 weight  1.00000E+00 volume  1.07754E+06 ppm1      8.228 ppm2      4.587

ASSI {1095}   (( resid 109  and name  HN  ))   (( resid 110  and name  HB1 )) 3.434 1.734 2.464 peak  9199 weight  1.00000E+00 volume  2.44510E+05 ppm1      8.232 ppm2      1.891 !1

ASSI {1096}   (( resid 109  and name  HN  ))   (( resid 97   and name  HG1 )) 3.475 1.775 2.695 peak  9200 weight  1.00000E+00 volume  2.23082E+05 ppm1      8.227 ppm2      2.161 !1

ASSI {1097}   (( resid 109  and name  HN  ))   (( resid 98   and name  HG11)) 2.886 1.086 1.086 peak  9209 weight  1.00000E+00 volume  1.04294E+06 ppm1      8.228 ppm2      0.715

ASSI {1098}   (( resid 109  and name  HN  ))   (  resid 98   and name  HD1#) 3.361 1.561 1.561 peak  9210 weight  1.00000E+00 volume  8.88750E+05 ppm1      8.228 ppm2      0.312

ASSI {1099}   (( resid 109  and name  HN  ))   (  resid 98   and name  HG2#) 3.736 1.936 1.936 peak  9211 weight  1.00000E+00 volume  3.71813E+05 ppm1      8.227 ppm2      0.411

ASSI {1100}   (( resid 109  and name  HN  ))   (( resid 96   and name  HG11)) 3.497 1.797 4.667 peak  9212 weight  1.00000E+00 volume  2.10400E+05 ppm1      8.221 ppm2      0.149 !3

ASSI {1101}   (( resid 109  and name  HN  ))   (( resid 97   and name  HN  )) 3.483 1.783 3.363 peak  9748 weight  1.00000E+00 volume  2.29804E+05 ppm1      8.860 ppm2      8.235 !2

ASSI {1102}   (( resid 111  and name  HN  ))   (( resid 110  and name  HA  )) 2.694 0.894 0.894 peak  5885 weight  1.00000E+00 volume  1.95288E+06 ppm1      8.866 ppm2      5.442

ASSI {1103}   (( resid 111  and name  HN  ))   (( resid 110  and name  HB1 )) 2.872 1.172 1.682 peak  5894 weight  1.00000E+00 volume  1.08871E+06 ppm1      8.863 ppm2      1.900 !1

ASSI {1104}   (( resid 110  and name  HN  ))   (  resid 122  and name  HE# ) 3.76 1.96 1.96 peak  7655 weight  1.00000E+00 volume  2.29607E+05 ppm1      8.802 ppm2      7.334

ASSI {1105}   (( resid 110  and name  HN  ))   (( resid 110  and name  HA  )) 2.947 1.147 1.147 peak  7661 weight  1.00000E+00 volume  9.07707E+05 ppm1      8.801 ppm2      5.448

ASSI {1106}   (( resid 110  and name  HN  ))   (( resid 110  and name  HB1 )) 2.819 1.019 1.019 peak  7670 weight  1.00000E+00 volume  1.32941E+06 ppm1      8.805 ppm2      1.902

ASSI {1107}   (( resid 110  and name  HN  ))   (( resid 98   and name  HG12)) 3.285 1.585 4.365 peak  7675 weight  1.00000E+00 volume  3.43997E+05 ppm1      8.797 ppm2      1.374 !3

ASSI {1108}   (( resid 112  and name  HN  ))   (( resid 110  and name  HG2 )) 3.502 1.802 2.472 peak  9832 weight  1.00000E+00 volume  2.19139E+05 ppm1      8.176 ppm2      2.027 !1
OR {1108}   (( resid 112  and name  HN  ))   (( resid 110  and name  HB2 ))

ASSI {1109}   (( resid 96   and name  HN  ))   (( resid 110  and name  HA  )) 3.506 1.707 1.707 peak 11445 weight  1.00000E+00 volume  2.12133E+05 ppm1      9.050 ppm2      5.431

ASSI {1110}   (( resid 112  and name  HN  ))   (( resid 111  and name  HA  )) 2.445 0.6445 0.6445 peak  5084 weight  1.00000E+00 volume  4.92935E+06 ppm1      8.166 ppm2      5.225

ASSI {1111}   (( resid 112  and name  HN  ))   (( resid 111  and name  HB  )) 2.934 1.234 1.754 peak  5089 weight  1.00000E+00 volume  9.68924E+05 ppm1      8.166 ppm2      4.390 !1

ASSI {1112}   (( resid 96   and name  HN  ))   (( resid 111  and name  HN  )) 2.903 1.103 1.103 peak  5875 weight  1.00000E+00 volume  1.03464E+06 ppm1      8.874 ppm2      9.037

ASSI {1113}   (( resid 97   and name  HN  ))   (( resid 111  and name  HN  )) 2.38 0.68 3.38 peak  5876 weight  1.00000E+00 volume  6.39901E+06 ppm1      8.864 ppm2      8.864 !2

ASSI {1114}   (( resid 112  and name  HN  ))   (( resid 111  and name  HN  )) 3.186 1.386 1.386 peak  5879 weight  1.00000E+00 volume  4.68455E+05 ppm1      8.863 ppm2      8.166

ASSI {1115}   (( resid 111  and name  HN  ))   (  resid 122  and name  HE# ) 3.717 1.917 1.917 peak  5881 weight  1.00000E+00 volume  2.66923E+05 ppm1      8.864 ppm2      7.340

ASSI {1116}   (( resid 111  and name  HN  ))   (( resid 137  and name  HH2 )) 3.427 1.727 2.917 peak  5884 weight  1.00000E+00 volume  2.48559E+05 ppm1      8.865 ppm2      6.891 !2

ASSI {1117}   (( resid 111  and name  HN  ))   (( resid 111  and name  HA  )) 2.843 1.043 1.043 peak  5886 weight  1.00000E+00 volume  1.20121E+06 ppm1      8.865 ppm2      5.237

ASSI {1118}   (( resid 95   and name  HA  ))   (( resid 111  and name  HN  )) 3.216 1.416 1.416 peak  5888 weight  1.00000E+00 volume  4.05098E+05 ppm1      8.861 ppm2      4.995

ASSI {1119}   (( resid 111  and name  HN  ))   (( resid 111  and name  HB  )) 3.094 1.294 1.294 peak  5893 weight  1.00000E+00 volume  5.55796E+05 ppm1      8.858 ppm2      4.384

ASSI {1120}   (( resid 111  and name  HN  ))   (( resid 97   and name  HG2 )) 3.123 1.423 3.133 peak  5897 weight  1.00000E+00 volume  5.23577E+05 ppm1      8.865 ppm2      2.219 !2

ASSI {1121}   (( resid 111  and name  HN  ))   (  resid 95   and name  HG# ) 3.176 1.476 1.836 peak  5902 weight  1.00000E+00 volume  4.65112E+05 ppm1      8.861 ppm2      1.264 !1

ASSI {1122}   (( resid 111  and name  HN  ))   (  resid 133  and name  HD# ) 3.865 2.165 4.215 peak  5905 weight  1.00000E+00 volume  2.89688E+05 ppm1      8.861 ppm2      0.752 !2

ASSI {1123}   (  resid 96   and name  HG2#)   (( resid 111  and name  HN  )) 3.233 1.433 1.433 peak  5906 weight  1.00000E+00 volume  1.27218E+06 ppm1      8.865 ppm2     -0.440

ASSI {1124}   (( resid 113  and name  HN  ))   (( resid 111  and name  HA  )) 2.659 0.959 2.519 peak  6115 weight  1.00000E+00 volume  2.20610E+06 ppm1      8.450 ppm2      5.216 !1

ASSI {1125}   (( resid 112  and name  HN  ))   (( resid 96   and name  HN  )) 3.567 1.867 2.278 peak  5081 weight  1.00000E+00 volume  2.12759E+05 ppm1      8.155 ppm2      9.020 !1

ASSI {1126}   (( resid 112  and name  HN  ))   (( resid 137  and name  HH2 )) 3.76 2.06 3.88 peak  5083 weight  1.00000E+00 volume  1.27379E+05 ppm1      8.173 ppm2      6.897 !2

ASSI {1127}   (( resid 113  and name  HG2 ))   (( resid 112  and name  HN  )) 3.089 1.289 1.289 peak  5091 weight  1.00000E+00 volume  6.08242E+05 ppm1      8.169 ppm2      2.460

ASSI {1128}   (( resid 113  and name  HB2 ))   (( resid 112  and name  HN  )) 3.16 1.46 3.14 peak  5093 weight  1.00000E+00 volume  5.08997E+05 ppm1      8.169 ppm2      1.929 !2

ASSI {1129}   (( resid 112  and name  HN  ))   (  resid 95   and name  HG# ) 3.501 1.801 2.811 peak  5097 weight  1.00000E+00 volume  2.34996E+05 ppm1      8.166 ppm2      1.252 !1

ASSI {1130}   (  resid 96   and name  HG2#)   (( resid 112  and name  HN  )) 3.973 2.173 2.173 peak  5098 weight  1.00000E+00 volume  2.44977E+05 ppm1      8.170 ppm2     -0.434

ASSI {1131}   (( resid 113  and name  HN  ))   (( resid 112  and name  HN  )) 2.55 0.85 2.57 peak  6106 weight  1.00000E+00 volume  3.32159E+06 ppm1      8.444 ppm2      8.159 !2

ASSI {1132}   (( resid 113  and name  HN  ))   (( resid 112  and name  HB  )) 3.159 1.359 1.359 peak  6117 weight  1.00000E+00 volume  4.89830E+05 ppm1      8.452 ppm2      4.959

ASSI {1133}   (( resid 112  and name  HA  ))   (( resid 94   and name  HN  )) 3.435 1.735 2.435 peak  8102 weight  1.00000E+00 volume  2.28769E+05 ppm1      8.366 ppm2      5.200 !1

ASSI {1134}   (( resid 114  and name  HN  ))   (( resid 112  and name  HN  )) 3.225 1.525 4.255 peak  8319 weight  1.00000E+00 volume  4.28337E+05 ppm1      8.339 ppm2      8.148 !2

ASSI {1135}   (( resid 114  and name  HN  ))   (  resid 112  and name  HG2#) 3.328 1.628 4.358 peak  8351 weight  1.00000E+00 volume  9.68902E+05 ppm1      8.338 ppm2      1.499 !2

ASSI {1136}   (( resid 96   and name  HN  ))   (( resid 112  and name  HA  )) 3.003 1.204 1.204 peak  9496 weight  1.00000E+00 volume  7.60655E+05 ppm1      9.042 ppm2      5.187

ASSI {1137}   (  resid 173  and name  HE# )   (( resid 113  and name  HN  )) 3.489 1.689 1.689 peak  6109 weight  1.00000E+00 volume  4.16959E+05 ppm1      8.446 ppm2      7.280

ASSI {1138}   (( resid 113  and name  HG2 ))   (( resid 113  and name  HN  )) 2.773 0.973 0.973 peak  6124 weight  1.00000E+00 volume  1.57660E+06 ppm1      8.447 ppm2      2.463

ASSI {1139}   (( resid 113  and name  HN  ))   (  resid 175  and name  HD# ) 3.119 1.419 2.949 peak  6125 weight  1.00000E+00 volume  5.23599E+05 ppm1      8.453 ppm2      2.796 !3

ASSI {1140}   (( resid 113  and name  HB2 ))   (( resid 113  and name  HN  )) 2.704 1.004 2.034 peak  6128 weight  1.00000E+00 volume  1.90099E+06 ppm1      8.446 ppm2      1.925 !2

ASSI {1141}   (( resid 113  and name  HN  ))   (( resid 175  and name  HB2 )) 3.314 1.614 4.554 peak  6137 weight  1.00000E+00 volume  3.12203E+05 ppm1      8.447 ppm2      0.793 !2

ASSI {1142}   (  resid 96   and name  HG2#)   (( resid 113  and name  HN  )) 3.939 2.139 2.139 peak  6138 weight  1.00000E+00 volume  2.67472E+05 ppm1      8.440 ppm2     -0.439

ASSI {1143}   (( resid 114  and name  HN  ))   (( resid 113  and name  HN  )) 2.792 1.092 1.732 peak  8318 weight  1.00000E+00 volume  1.45891E+06 ppm1      8.335 ppm2      8.463 !1

ASSI {1144}   (( resid 114  and name  HN  ))   (( resid 113  and name  HA  )) 2.46 0.6595 0.6595 peak  8333 weight  1.00000E+00 volume  4.69578E+06 ppm1      8.335 ppm2      4.742

ASSI {1145}   (( resid 113  and name  HG2 ))   (( resid 114  and name  HN  )) 2.598 0.898 2.387 peak  8345 weight  1.00000E+00 volume  2.79813E+06 ppm1      8.337 ppm2      2.468 !2

ASSI {1146}   (( resid 113  and name  HN  ))   (( resid 114  and name  HB1 )) 3.543 1.843 2.933 peak  8474 weight  1.00000E+00 volume  2.03234E+05 ppm1      8.454 ppm2      3.301 !1

ASSI {1147}   (( resid 113  and name  HN  ))   (( resid 96   and name  HN  )) 3.482 1.683 1.683 peak  9492 weight  1.00000E+00 volume  2.19682E+05 ppm1      9.034 ppm2      8.432

ASSI {1148}   (( resid 113  and name  HN  ))   (( resid 137  and name  HH2 )) 2.989 1.289 2.189 peak 10185 weight  1.00000E+00 volume  7.91211E+05 ppm1      8.461 ppm2      6.910 !2

ASSI {1149}   (( resid 174  and name  HN  ))   (( resid 114  and name  HA  )) 3.429 1.629 1.629 peak  5674 weight  1.00000E+00 volume  2.45430E+05 ppm1      9.539 ppm2      4.797

ASSI {1150}   (( resid 114  and name  HN  ))   (( resid 115  and name  HN  )) 2.948 1.248 1.808 peak  8321 weight  1.00000E+00 volume  9.32870E+05 ppm1      8.336 ppm2      8.981 !1

ASSI {1151}   (( resid 114  and name  HN  ))   (( resid 137  and name  HZ3 )) 3.373 1.673 6.473 peak  8322 weight  1.00000E+00 volume  2.82667E+05 ppm1      8.339 ppm2      7.316 !4

ASSI {1152}   (( resid 114  and name  HN  ))   (( resid 175  and name  HE  )) 2.783 1.083 2.813 peak  8327 weight  1.00000E+00 volume  1.50380E+06 ppm1      8.338 ppm2      6.744 !3

ASSI {1153}   (( resid 114  and name  HN  ))   (( resid 174  and name  HA  )) 3.004 1.304 3.204 peak  8331 weight  1.00000E+00 volume  7.88919E+05 ppm1      8.337 ppm2      5.261 !2

ASSI {1154}   (( resid 114  and name  HN  ))   (( resid 114  and name  HA  )) 2.657 0.857 0.857 peak  8334 weight  1.00000E+00 volume  2.18866E+06 ppm1      8.337 ppm2      4.787

ASSI {1155}   (( resid 114  and name  HN  ))   (( resid 116  and name  HD2 )) 3.322 1.622 4.602 peak  8338 weight  1.00000E+00 volume  3.30053E+05 ppm1      8.338 ppm2      3.959 !3

ASSI {1156}   (( resid 114  and name  HN  ))   (( resid 114  and name  HB1 )) 2.681 0.8815 0.8815 peak  8341 weight  1.00000E+00 volume  2.13002E+06 ppm1      8.336 ppm2      3.314

ASSI {1157}   (( resid 114  and name  HN  ))   (( resid 114  and name  HB2 )) 2.577 0.877 1.247 peak  8343 weight  1.00000E+00 volume  3.00120E+06 ppm1      8.335 ppm2      2.534 !1

ASSI {1158}   (( resid 114  and name  HN  ))   (( resid 174  and name  HB2 )) 2.979 1.279 2.989 peak  8350 weight  1.00000E+00 volume  8.55763E+05 ppm1      8.341 ppm2      1.653 !2

ASSI {1159}   (( resid 114  and name  HN  ))   (  resid 96   and name  HG2#) 3.921 2.221 3.651 peak  8360 weight  1.00000E+00 volume  2.64295E+05 ppm1      8.343 ppm2     -0.447 !2

ASSI {1160}   (( resid 117  and name  HN  ))   (( resid 114  and name  HB1 )) 3.338 1.638 6.388 peak  9293 weight  1.00000E+00 volume  3.13411E+05 ppm1      7.173 ppm2      3.310 !4

ASSI {1161}   (( resid 115  and name  HB2 ))   (( resid 173  and name  HN  )) 2.973 1.173 1.173 peak  6530 weight  1.00000E+00 volume  8.49964E+05 ppm1      8.936 ppm2      2.352

ASSI {1162}   (( resid 121  and name  HE22))   (( resid 115  and name  HA  )) 3.348 1.547 1.547 peak  6776 weight  1.00000E+00 volume  2.98020E+05 ppm1      6.797 ppm2      4.925

ASSI {1163}   (( resid 121  and name  HE21))   (( resid 115  and name  HA  )) 3.362 1.562 1.562 peak  6777 weight  1.00000E+00 volume  2.98252E+05 ppm1      7.052 ppm2      4.933

ASSI {1164}   (( resid 121  and name  HN  ))   (( resid 115  and name  HA  )) 3.352 1.652 4.432 peak  7010 weight  1.00000E+00 volume  3.15134E+05 ppm1      7.283 ppm2      4.939 !3

ASSI {1165}   (( resid 173  and name  HN  ))   (( resid 116  and name  HA  )) 2.952 1.152 1.152 peak  6522 weight  1.00000E+00 volume  8.94711E+05 ppm1      8.936 ppm2      3.932

ASSI {1166}   (( resid 119  and name  HN  ))   (( resid 116  and name  HD1 )) 3.421 1.721 5.981 peak  7846 weight  1.00000E+00 volume  2.42900E+05 ppm1      8.956 ppm2      3.486 !2

ASSI {1167}   (( resid 145  and name  HN  ))   (( resid 116  and name  HA  )) 3.11 1.31 1.31 peak  8667 weight  1.00000E+00 volume  5.79111E+05 ppm1      7.879 ppm2      3.934

ASSI {1168}   (( resid 145  and name  HN  ))   (( resid 116  and name  HD1 )) 3.326 1.626 4.126 peak  8673 weight  1.00000E+00 volume  3.28060E+05 ppm1      7.883 ppm2      3.468 !3

ASSI {1169}   (( resid 172  and name  HN  ))   (( resid 116  and name  HA  )) 3.245 1.545 2.535 peak  8824 weight  1.00000E+00 volume  3.82939E+05 ppm1      8.360 ppm2      3.933 !1

ASSI {1170}   (( resid 117  and name  HN  ))   (( resid 116  and name  HD1 )) 2.557 0.857 1.556 peak  9290 weight  1.00000E+00 volume  3.25361E+06 ppm1      7.178 ppm2      3.458 !1

ASSI {1171}   (( resid 173  and name  HN  ))   (  resid 116  and name  HB# ) 3.241 1.541 2.481 peak 10344 weight  1.00000E+00 volume  3.81570E+05 ppm1      8.937 ppm2      1.919 !1

ASSI {1172}   (( resid 173  and name  HN  ))   (( resid 116  and name  HG2 )) 3.159 1.459 3.529 peak 12053 weight  1.00000E+00 volume  5.03428E+05 ppm1      8.932 ppm2      2.040 !2

ASSI {1173}   (( resid 173  and name  HN  ))   (( resid 117  and name  HN  )) 3.122 1.422 2.722 peak  6507 weight  1.00000E+00 volume  5.56128E+05 ppm1      8.941 ppm2      7.164 !2

ASSI {1174}   (( resid 173  and name  HN  ))   (( resid 117  and name  HA  )) 3.12 1.42 2.98 peak  6516 weight  1.00000E+00 volume  5.58911E+05 ppm1      8.939 ppm2      4.915 !2

ASSI {1175}   (( resid 121  and name  HN  ))   (( resid 117  and name  HB2 )) 3.091 1.291 1.291 peak  7018 weight  1.00000E+00 volume  5.95210E+05 ppm1      7.287 ppm2      3.518

ASSI {1176}   (( resid 118  and name  HN  ))   (( resid 117  and name  HA  )) 2.845 1.045 1.045 peak  7198 weight  1.00000E+00 volume  1.24187E+06 ppm1      8.680 ppm2      4.909

ASSI {1177}   (( resid 120  and name  HN  ))   (( resid 117  and name  HA  )) 3.363 1.563 1.563 peak  8042 weight  1.00000E+00 volume  2.96306E+05 ppm1      7.676 ppm2      4.928

ASSI {1178}   (( resid 120  and name  HN  ))   (( resid 117  and name  HB2 )) 2.84 1.04 1.04 peak  8050 weight  1.00000E+00 volume  1.28533E+06 ppm1      7.673 ppm2      3.519

ASSI {1179}   (( resid 145  and name  HN  ))   (( resid 117  and name  HA  )) 3.423 1.723 3.073 peak  8665 weight  1.00000E+00 volume  2.50593E+05 ppm1      7.874 ppm2      4.895 !2

ASSI {1180}   (( resid 172  and name  HN  ))   (( resid 117  and name  HN  )) 3.362 1.662 3.272 peak  8806 weight  1.00000E+00 volume  2.86439E+05 ppm1      8.365 ppm2      7.174 !2

ASSI {1181}   (( resid 121  and name  HN  ))   (( resid 117  and name  HN  )) 2.892 1.192 2.292 peak  9267 weight  1.00000E+00 volume  1.05810E+06 ppm1      7.177 ppm2      7.288 !2

ASSI {1182}   (( resid 118  and name  HN  ))   (( resid 117  and name  HN  )) 2.903 1.203 1.613 peak  9273 weight  1.00000E+00 volume  1.08319E+06 ppm1      7.175 ppm2      8.679 !1

ASSI {1183}   (( resid 144  and name  HN  ))   (( resid 117  and name  HN  )) 3.264 1.464 1.464 peak  9274 weight  1.00000E+00 volume  4.14543E+05 ppm1      7.175 ppm2      9.677

ASSI {1184}   (  resid 145  and name  HD# )   (( resid 117  and name  HN  )) 3.364 1.664 2.073 peak  9275 weight  1.00000E+00 volume  6.02596E+05 ppm1      7.177 ppm2      6.718 !1
OR {1184}   (  resid 145  and name  HE# )   (( resid 117  and name  HN  ))

ASSI {1185}   (( resid 117  and name  HN  ))   (( resid 172  and name  HA  )) 3.256 1.556 3.366 peak  9283 weight  1.00000E+00 volume  4.11559E+05 ppm1      7.172 ppm2      4.561 !2

ASSI {1186}   (( resid 119  and name  HA  ))   (( resid 117  and name  HN  )) 3.07 1.37 4.78 peak  9285 weight  1.00000E+00 volume  6.52856E+05 ppm1      7.174 ppm2      4.244 !2

ASSI {1187}   (( resid 121  and name  HA  ))   (( resid 117  and name  HN  )) 2.858 1.158 4.408 peak  9288 weight  1.00000E+00 volume  1.19257E+06 ppm1      7.177 ppm2      3.856 !4

ASSI {1188}   (( resid 117  and name  HN  ))   (( resid 143  and name  HD1 )) 3.151 1.451 6.82 peak  9292 weight  1.00000E+00 volume  5.28480E+05 ppm1      7.176 ppm2      3.623 !4

ASSI {1189}   (( resid 144  and name  HA  ))   (( resid 117  and name  HN  )) 3.206 1.506 2.216 peak  9294 weight  1.00000E+00 volume  4.71472E+05 ppm1      7.177 ppm2      3.163 !1

ASSI {1190}   (( resid 117  and name  HN  ))   (( resid 120  and name  HB1 )) 2.578 0.878 3.968 peak  9302 weight  1.00000E+00 volume  2.97220E+06 ppm1      7.178 ppm2      1.840 !3

ASSI {1191}   (( resid 117  and name  HN  ))   (( resid 121  and name  HG1 )) 3.28 1.58 2.6 peak  9306 weight  1.00000E+00 volume  3.59983E+05 ppm1      7.175 ppm2      1.165 !2

ASSI {1192}   (( resid 117  and name  HN  ))   (( resid 121  and name  HB1 )) 3.09 1.39 2.459 peak  9308 weight  1.00000E+00 volume  6.32377E+05 ppm1      7.173 ppm2      0.880 !2

ASSI {1193}   (  resid 118  and name  HD1#)   (( resid 117  and name  HN  )) 3.84 2.14 3.67 peak  9310 weight  1.00000E+00 volume  3.33838E+05 ppm1      7.178 ppm2      0.637 !2

ASSI {1194}   (( resid 170  and name  HN  ))   (  resid 118  and name  HD1#) 3.861 2.061 2.061 peak  5652 weight  1.00000E+00 volume  2.81168E+05 ppm1      7.293 ppm2      0.662

ASSI {1195}   (( resid 122  and name  HN  ))   (  resid 118  and name  HD1#) 3.885 2.085 2.085 peak  5820 weight  1.00000E+00 volume  2.90727E+05 ppm1      7.824 ppm2      0.634

ASSI {1196}   (( resid 127  and name  HN  ))   (  resid 118  and name  HD1#) 3.84 2.04 2.04 peak  5974 weight  1.00000E+00 volume  3.00224E+05 ppm1      8.132 ppm2      0.649

ASSI {1197}   (  resid 118  and name  HG2#)   (( resid 123  and name  HN  )) 3.475 1.675 1.675 peak  6275 weight  1.00000E+00 volume  7.00130E+05 ppm1      7.493 ppm2      1.013

ASSI {1198}   (( resid 123  and name  HN  ))   (  resid 118  and name  HD1#) 3.886 2.186 3.146 peak  6278 weight  1.00000E+00 volume  2.73860E+05 ppm1      7.501 ppm2      0.663 !1

ASSI {1199}   (( resid 173  and name  HN  ))   (  resid 118  and name  HD1#) 3.552 1.752 1.752 peak  6540 weight  1.00000E+00 volume  5.71076E+05 ppm1      8.938 ppm2      0.645

ASSI {1200}   (  resid 118  and name  HD1#)   (( resid 126  and name  HN  )) 3.393 1.693 2.593 peak  6569 weight  1.00000E+00 volume  8.58133E+05 ppm1      7.612 ppm2      0.643 !1

ASSI {1201}   (( resid 118  and name  HN  ))   (( resid 121  and name  HN  )) 3.495 1.696 1.696 peak  7001 weight  1.00000E+00 volume  2.16609E+05 ppm1      7.274 ppm2      8.666

ASSI {1202}   (  resid 118  and name  HG2#)   (( resid 121  and name  HN  )) 3.371 1.671 2.031 peak  7036 weight  1.00000E+00 volume  9.34391E+05 ppm1      7.286 ppm2      1.009 !1

ASSI {1203}   (( resid 118  and name  HN  ))   (( resid 122  and name  HN  )) 3.447 1.747 2.267 peak  7192 weight  1.00000E+00 volume  2.61026E+05 ppm1      8.677 ppm2      7.851 !1

ASSI {1204}   (( resid 118  and name  HN  ))   (( resid 120  and name  HN  )) 3.188 1.388 1.388 peak  7193 weight  1.00000E+00 volume  4.77083E+05 ppm1      8.677 ppm2      7.679

ASSI {1205}   (( resid 118  and name  HN  ))   (  resid 172  and name  HB# ) 3.31 1.51 1.51 peak  7202 weight  1.00000E+00 volume  3.82445E+05 ppm1      8.672 ppm2      4.202

ASSI {1206}   (( resid 118  and name  HN  ))   (( resid 118  and name  HB  )) 2.904 1.104 1.104 peak  7213 weight  1.00000E+00 volume  1.05053E+06 ppm1      8.679 ppm2      1.797

ASSI {1207}   (( resid 118  and name  HN  ))   (  resid 118  and name  HD1#) 3.447 1.647 1.647 peak  7219 weight  1.00000E+00 volume  7.49019E+05 ppm1      8.680 ppm2      0.654

ASSI {1208}   (  resid 118  and name  HD1#)   (( resid 119  and name  HN  )) 3.508 1.708 1.708 peak  7861 weight  1.00000E+00 volume  6.19927E+05 ppm1      8.964 ppm2      0.643

ASSI {1209}   (( resid 125  and name  HN  ))   (  resid 118  and name  HD1#) 3.967 2.267 3.037 peak  8573 weight  1.00000E+00 volume  2.35928E+05 ppm1      8.871 ppm2      0.642 !1

ASSI {1210}   (( resid 118  and name  HN  ))   (( resid 172  and name  HN  )) 3.15 1.35 1.35 peak  8799 weight  1.00000E+00 volume  5.44952E+05 ppm1      8.354 ppm2      8.678

ASSI {1211}   (  resid 118  and name  HD1#)   (( resid 172  and name  HN  )) 3.25 1.45 1.45 peak  8845 weight  1.00000E+00 volume  1.21603E+06 ppm1      8.357 ppm2      0.634

ASSI {1212}   (( resid 118  and name  HN  ))   (( resid 140  and name  HN  )) 3.511 1.811 4.391 peak  8849 weight  1.00000E+00 volume  2.00261E+05 ppm1      8.958 ppm2      8.695 !3

ASSI {1213}   (( resid 118  and name  HN  ))   (( resid 122  and name  HB2 )) 3.367 1.667 3.147 peak 10585 weight  1.00000E+00 volume  3.20580E+05 ppm1      8.689 ppm2      2.774 !2

ASSI {1214}   (( resid 171  and name  HN  ))   (( resid 118  and name  HN  )) 3.306 1.606 3.956 peak 10730 weight  1.00000E+00 volume  3.38276E+05 ppm1      8.550 ppm2      8.666 !2

ASSI {1215}   (( resid 119  and name  HA  ))   (( resid 171  and name  HE21)) 3.405 1.705 3.335 peak  5513 weight  1.00000E+00 volume  2.72209E+05 ppm1      7.704 ppm2      4.261 !1

ASSI {1216}   (( resid 119  and name  HA  ))   (( resid 171  and name  HE22)) 3.239 1.539 3.249 peak  5514 weight  1.00000E+00 volume  4.14587E+05 ppm1      7.105 ppm2      4.254 !3

ASSI {1217}   (( resid 119  and name  HA  ))   (( resid 122  and name  HN  )) 3.031 1.231 1.231 peak  5802 weight  1.00000E+00 volume  7.10674E+05 ppm1      7.838 ppm2      4.257

ASSI {1218}   (( resid 122  and name  HN  ))   (  resid 119  and name  HE# ) 3.293 1.593 2.534 peak  5813 weight  1.00000E+00 volume  5.27255E+05 ppm1      7.843 ppm2      1.933 !1
OR {1218}   (( resid 122  and name  HN  ))   (( resid 119  and name  HB1 ))

ASSI {1219}   (( resid 119  and name  HA  ))   (( resid 123  and name  HN  )) 2.688 0.8875 0.8875 peak  6260 weight  1.00000E+00 volume  2.09060E+06 ppm1      7.494 ppm2      4.259

ASSI {1220}   (( resid 126  and name  HN  ))   (( resid 119  and name  HG1 )) 3.33 1.63 4.69 peak  6559 weight  1.00000E+00 volume  3.21043E+05 ppm1      7.610 ppm2      2.667 !2

ASSI {1221}   (( resid 126  and name  HN  ))   (( resid 119  and name  HB2 )) 2.65 0.95 3.56 peak  6560 weight  1.00000E+00 volume  2.29905E+06 ppm1      7.611 ppm2      2.093 !3

ASSI {1222}   (( resid 126  and name  HN  ))   (  resid 119  and name  HE# ) 2.912 1.212 3.302 peak  6561 weight  1.00000E+00 volume  3.02458E+06 ppm1      7.609 ppm2      1.950 !2

ASSI {1223}   (( resid 121  and name  HN  ))   (( resid 119  and name  HN  )) 3.183 1.382 1.382 peak  7002 weight  1.00000E+00 volume  5.07189E+05 ppm1      7.290 ppm2      8.964

ASSI {1224}   (( resid 121  and name  HN  ))   (( resid 119  and name  HG1 )) 3.371 1.671 3.111 peak  7023 weight  1.00000E+00 volume  2.76262E+05 ppm1      7.288 ppm2      2.665 !2

ASSI {1225}   (( resid 172  and name  HN  ))   (( resid 119  and name  HN  )) 3.447 1.747 2.377 peak  7827 weight  1.00000E+00 volume  2.40533E+05 ppm1      8.957 ppm2      8.352 !1

ASSI {1226}   (( resid 122  and name  HN  ))   (( resid 119  and name  HN  )) 3.352 1.552 1.552 peak  7828 weight  1.00000E+00 volume  2.94564E+05 ppm1      8.962 ppm2      7.822

ASSI {1227}   (( resid 120  and name  HN  ))   (( resid 119  and name  HN  )) 2.699 0.899 0.899 peak  7829 weight  1.00000E+00 volume  1.96563E+06 ppm1      8.966 ppm2      7.674

ASSI {1228}   (( resid 123  and name  HN  ))   (( resid 119  and name  HN  )) 3.258 1.558 2.978 peak  7830 weight  1.00000E+00 volume  3.77722E+05 ppm1      8.962 ppm2      7.509 !2

ASSI {1229}   (( resid 171  and name  HE22))   (( resid 119  and name  HN  )) 3.107 1.407 2.337 peak  7832 weight  1.00000E+00 volume  5.55008E+05 ppm1      8.963 ppm2      7.093 !1

ASSI {1230}   (( resid 124  and name  HN  ))   (( resid 119  and name  HN  )) 3.067 1.367 2.877 peak  7833 weight  1.00000E+00 volume  6.46050E+05 ppm1      8.964 ppm2      6.928 !2

ASSI {1231}   (( resid 119  and name  HA  ))   (( resid 119  and name  HN  )) 2.722 0.922 0.922 peak  7840 weight  1.00000E+00 volume  1.84061E+06 ppm1      8.962 ppm2      4.254

ASSI {1232}   (( resid 119  and name  HN  ))   (( resid 119  and name  HG1 )) 2.841 1.141 1.701 peak  7849 weight  1.00000E+00 volume  1.27461E+06 ppm1      8.964 ppm2      2.651 !1

ASSI {1233}   (( resid 119  and name  HN  ))   (( resid 120  and name  HG2 )) 3.125 1.425 3.955 peak  7851 weight  1.00000E+00 volume  5.66094E+05 ppm1      8.964 ppm2      2.233 !3

ASSI {1234}   (( resid 119  and name  HB2 ))   (( resid 119  and name  HN  )) 2.588 0.7885 0.7885 peak  7852 weight  1.00000E+00 volume  2.92094E+06 ppm1      8.965 ppm2      2.108

ASSI {1235}   (( resid 121  and name  HB1 ))   (( resid 119  and name  HN  )) 3.231 1.531 4.03 peak  7859 weight  1.00000E+00 volume  4.15272E+05 ppm1      8.966 ppm2      0.897 !4

ASSI {1236}   (( resid 120  and name  HN  ))   (( resid 119  and name  HA  )) 2.976 1.176 1.176 peak  8044 weight  1.00000E+00 volume  8.52705E+05 ppm1      7.675 ppm2      4.259

ASSI {1237}   (( resid 120  and name  HN  ))   (( resid 119  and name  HG1 )) 3.032 1.332 1.742 peak  8053 weight  1.00000E+00 volume  7.40728E+05 ppm1      7.675 ppm2      2.667 !1

ASSI {1238}   (( resid 120  and name  HN  ))   (( resid 119  and name  HB2 )) 2.776 1.076 1.826 peak  8058 weight  1.00000E+00 volume  1.54515E+06 ppm1      7.672 ppm2      2.092 !1

ASSI {1239}   (( resid 119  and name  HA  ))   (( resid 124  and name  HN  )) 2.561 0.761 0.761 peak  8196 weight  1.00000E+00 volume  3.19523E+06 ppm1      6.931 ppm2      4.256

ASSI {1240}   (( resid 124  and name  HN  ))   (( resid 119  and name  HG1 )) 3.164 1.464 2.294 peak  8204 weight  1.00000E+00 volume  4.66153E+05 ppm1      6.926 ppm2      2.659 !1

ASSI {1241}   (( resid 124  and name  HN  ))   (( resid 119  and name  HG2 )) 2.985 1.285 3.195 peak  8206 weight  1.00000E+00 volume  7.93052E+05 ppm1      6.931 ppm2      2.396 !2

ASSI {1242}   (( resid 125  and name  HN  ))   (( resid 119  and name  HA  )) 3.407 1.607 1.607 peak  8559 weight  1.00000E+00 volume  2.71988E+05 ppm1      8.878 ppm2      4.263

ASSI {1243}   (( resid 123  and name  HN  ))   (( resid 119  and name  HB2 )) 3.16 1.46 2.99 peak 10257 weight  1.00000E+00 volume  4.90339E+05 ppm1      7.497 ppm2      2.091 !2

ASSI {1244}   (( resid 122  and name  HN  ))   (( resid 120  and name  HG1 )) 3.238 1.538 3.728 peak  5811 weight  1.00000E+00 volume  4.05180E+05 ppm1      7.843 ppm2      2.258 !3

ASSI {1245}   (( resid 122  and name  HN  ))   (( resid 120  and name  HB1 )) 3.2 1.5 2.521 peak  5816 weight  1.00000E+00 volume  4.42442E+05 ppm1      7.836 ppm2      1.836 !1

ASSI {1246}   (( resid 121  and name  HN  ))   (( resid 120  and name  HG1 )) 2.905 1.205 1.625 peak  7025 weight  1.00000E+00 volume  1.00833E+06 ppm1      7.288 ppm2      2.256 !1

ASSI {1247}   (( resid 120  and name  HN  ))   (( resid 121  and name  HN  )) 2.633 0.833 0.833 peak  8036 weight  1.00000E+00 volume  2.53788E+06 ppm1      7.673 ppm2      7.283

ASSI {1248}   (( resid 120  and name  HN  ))   (( resid 124  and name  HN  )) 3.264 1.564 3.255 peak  8039 weight  1.00000E+00 volume  3.76483E+05 ppm1      7.673 ppm2      6.932 !2

ASSI {1249}   (( resid 120  and name  HN  ))   (( resid 123  and name  HA  )) 3.142 1.442 2.672 peak  8041 weight  1.00000E+00 volume  5.23757E+05 ppm1      7.675 ppm2      4.811 !2

ASSI {1250}   (( resid 122  and name  HB2 ))   (( resid 120  and name  HN  )) 3.431 1.731 2.381 peak  8055 weight  1.00000E+00 volume  2.53186E+05 ppm1      7.668 ppm2      2.796 !1

ASSI {1251}   (( resid 120  and name  HN  ))   (( resid 120  and name  HG1 )) 2.619 0.919 2.379 peak  8057 weight  1.00000E+00 volume  2.60427E+06 ppm1      7.674 ppm2      2.266 !2

ASSI {1252}   (( resid 120  and name  HN  ))   (( resid 120  and name  HB1 )) 2.487 0.687 0.687 peak  8060 weight  1.00000E+00 volume  4.13673E+06 ppm1      7.673 ppm2      1.846

ASSI {1253}   (( resid 120  and name  HN  ))   (( resid 124  and name  HB2 )) 3.136 1.436 3.356 peak  8061 weight  1.00000E+00 volume  5.18607E+05 ppm1      7.671 ppm2      1.709 !1

ASSI {1254}   (( resid 120  and name  HN  ))   (( resid 121  and name  HG1 )) 3.49 1.69 1.69 peak  8063 weight  1.00000E+00 volume  2.25088E+05 ppm1      7.676 ppm2      1.184

ASSI {1255}   (( resid 120  and name  HN  ))   (( resid 121  and name  HB1 )) 3.222 1.522 1.972 peak  8065 weight  1.00000E+00 volume  4.28580E+05 ppm1      7.676 ppm2      0.873 !1

ASSI {1256}   (( resid 121  and name  HE21))   (( resid 122  and name  HN  )) 3.264 1.564 2.245 peak  5797 weight  1.00000E+00 volume  3.96762E+05 ppm1      7.844 ppm2      7.040 !1

ASSI {1257}   (( resid 121  and name  HA  ))   (( resid 122  and name  HN  )) 2.859 1.059 1.059 peak  5804 weight  1.00000E+00 volume  1.18044E+06 ppm1      7.838 ppm2      3.856

ASSI {1258}   (( resid 122  and name  HN  ))   (( resid 121  and name  HG1 )) 3.112 1.312 1.312 peak  5817 weight  1.00000E+00 volume  5.76352E+05 ppm1      7.830 ppm2      1.167

ASSI {1259}   (( resid 122  and name  HN  ))   (( resid 121  and name  HB1 )) 2.8 1.1 1.5 peak  5819 weight  1.00000E+00 volume  1.42423E+06 ppm1      7.837 ppm2      0.883 !1

ASSI {1260}   (( resid 123  and name  HN  ))   (( resid 121  and name  HB1 )) 3.13 1.43 2.81 peak  6276 weight  1.00000E+00 volume  5.57510E+05 ppm1      7.499 ppm2      0.890 !2

ASSI {1261}   (( resid 121  and name  HE21))   (( resid 122  and name  HA  )) 3.303 1.603 3.332 peak  6778 weight  1.00000E+00 volume  3.50528E+05 ppm1      7.047 ppm2      4.368 !2

ASSI {1262}   (( resid 121  and name  HE21))   (( resid 121  and name  HA  )) 3.232 1.532 2.822 peak  6781 weight  1.00000E+00 volume  4.01726E+05 ppm1      7.049 ppm2      3.862 !2

ASSI {1263}   (( resid 121  and name  HA  ))   (( resid 121  and name  HE22)) 3.352 1.652 3.202 peak  6783 weight  1.00000E+00 volume  3.01449E+05 ppm1      6.803 ppm2      3.852 !2

ASSI {1264}   (( resid 121  and name  HN  ))   (( resid 123  and name  HN  )) 2.896 1.096 1.096 peak  6998 weight  1.00000E+00 volume  1.04661E+06 ppm1      7.288 ppm2      7.484

ASSI {1265}   (( resid 121  and name  HN  ))   (( resid 122  and name  HN  )) 2.627 0.827 0.827 peak  7000 weight  1.00000E+00 volume  2.56888E+06 ppm1      7.288 ppm2      7.830

ASSI {1266}   (( resid 121  and name  HE21))   (( resid 121  and name  HN  )) 3.259 1.559 2.309 peak  7003 weight  1.00000E+00 volume  3.96709E+05 ppm1      7.291 ppm2      7.046 !1

ASSI {1267}   (( resid 121  and name  HN  ))   (( resid 124  and name  HN  )) 3.088 1.388 2.528 peak  7004 weight  1.00000E+00 volume  6.54102E+05 ppm1      7.290 ppm2      6.929 !2

ASSI {1268}   (( resid 121  and name  HN  ))   (( resid 121  and name  HE22)) 3.29 1.59 3.49 peak  7005 weight  1.00000E+00 volume  3.34371E+05 ppm1      7.290 ppm2      6.805 !2

ASSI {1269}   (( resid 121  and name  HN  ))   (  resid 122  and name  HD# ) 3.628 1.828 1.828 peak  7006 weight  1.00000E+00 volume  3.15805E+05 ppm1      7.287 ppm2      6.580

ASSI {1270}   (( resid 121  and name  HN  ))   (( resid 123  and name  HA  )) 3.208 1.508 2.178 peak  7011 weight  1.00000E+00 volume  4.49259E+05 ppm1      7.287 ppm2      4.813 !1

ASSI {1271}   (( resid 121  and name  HN  ))   (( resid 122  and name  HA  )) 3.189 1.489 2.129 peak  7013 weight  1.00000E+00 volume  4.67489E+05 ppm1      7.286 ppm2      4.388 !1

ASSI {1272}   (( resid 121  and name  HN  ))   (  resid 172  and name  HB# ) 3.306 1.606 3.766 peak  7014 weight  1.00000E+00 volume  3.45960E+05 ppm1      7.288 ppm2      4.215 !1

ASSI {1273}   (( resid 122  and name  HB2 ))   (( resid 121  and name  HN  )) 3.381 1.581 1.581 peak  7021 weight  1.00000E+00 volume  2.74877E+05 ppm1      7.288 ppm2      2.793

ASSI {1274}   (( resid 121  and name  HN  ))   (  resid 124  and name  HG# ) 3.517 1.817 3.677 peak  7022 weight  1.00000E+00 volume  1.99005E+05 ppm1      7.293 ppm2      2.575 !2

ASSI {1275}   (( resid 122  and name  HB1 ))   (( resid 121  and name  HN  )) 3.125 1.425 3.225 peak  7024 weight  1.00000E+00 volume  5.53358E+05 ppm1      7.288 ppm2      2.381 !2

ASSI {1276}   (( resid 121  and name  HN  ))   (( resid 124  and name  HB2 )) 3.276 1.576 3.616 peak  7030 weight  1.00000E+00 volume  3.67939E+05 ppm1      7.288 ppm2      1.711 !1

ASSI {1277}   (( resid 121  and name  HN  ))   (( resid 121  and name  HB1 )) 2.535 0.735 0.735 peak  7037 weight  1.00000E+00 volume  3.59322E+06 ppm1      7.286 ppm2      0.882

ASSI {1278}   (( resid 124  and name  HN  ))   (( resid 121  and name  HB1 )) 3.376 1.676 4.326 peak  8216 weight  1.00000E+00 volume  2.84710E+05 ppm1      6.921 ppm2      0.868 !3

ASSI {1279}   (( resid 122  and name  HN  ))   (( resid 122  and name  HZ  )) 3.364 1.664 3.153 peak  5796 weight  1.00000E+00 volume  2.98919E+05 ppm1      7.844 ppm2      7.155 !1

ASSI {1280}   (( resid 122  and name  HB2 ))   (( resid 122  and name  HN  )) 2.917 1.117 1.117 peak  5806 weight  1.00000E+00 volume  1.00666E+06 ppm1      7.842 ppm2      2.796

ASSI {1281}   (( resid 122  and name  HN  ))   (  resid 124  and name  HG# ) 3.476 1.676 1.676 peak  5808 weight  1.00000E+00 volume  2.26605E+05 ppm1      7.830 ppm2      2.578

ASSI {1282}   (( resid 122  and name  HN  ))   (  resid 127  and name  HD1#) 3.881 2.181 2.501 peak  5821 weight  1.00000E+00 volume  2.90291E+05 ppm1      7.823 ppm2      0.358 !1

ASSI {1283}   (( resid 123  and name  HN  ))   (( resid 122  and name  HN  )) 2.533 0.7325 0.7325 peak  6250 weight  1.00000E+00 volume  3.60727E+06 ppm1      7.496 ppm2      7.833

ASSI {1284}   (  resid 122  and name  HD# )   (( resid 123  and name  HN  )) 3.564 1.764 1.764 peak  6254 weight  1.00000E+00 volume  3.75256E+05 ppm1      7.495 ppm2      6.594

ASSI {1285}   (( resid 122  and name  HB2 ))   (( resid 123  and name  HN  )) 3.099 1.3 1.3 peak  6266 weight  1.00000E+00 volume  6.01718E+05 ppm1      7.491 ppm2      2.783

ASSI {1286}   (( resid 122  and name  HB1 ))   (( resid 123  and name  HN  )) 2.893 1.193 1.633 peak  6268 weight  1.00000E+00 volume  1.10721E+06 ppm1      7.494 ppm2      2.377 !1

ASSI {1287}   (( resid 122  and name  HN  ))   (( resid 124  and name  HN  )) 3.015 1.215 1.215 peak  8187 weight  1.00000E+00 volume  7.48358E+05 ppm1      6.932 ppm2      7.836

ASSI {1288}   (( resid 122  and name  HB2 ))   (( resid 124  and name  HN  )) 3.233 1.433 1.433 peak  8203 weight  1.00000E+00 volume  4.08909E+05 ppm1      6.931 ppm2      2.785

ASSI {1289}   (( resid 123  and name  HN  ))   (  resid 123  and name  HB# ) 2.557 0.757 0.757 peak  6264 weight  1.00000E+00 volume  3.30086E+06 ppm1      7.497 ppm2      3.465

ASSI {1290}   (( resid 123  and name  HN  ))   (( resid 124  and name  HN  )) 2.667 0.867 0.867 peak  8184 weight  1.00000E+00 volume  2.35498E+06 ppm1      6.925 ppm2      7.493

ASSI {1291}   (( resid 124  and name  HN  ))   (  resid 123  and name  HB# ) 2.833 1.033 1.033 peak  8201 weight  1.00000E+00 volume  1.28521E+06 ppm1      6.933 ppm2      3.462

ASSI {1292}   (( resid 127  and name  HN  ))   (( resid 124  and name  HA  )) 3.339 1.639 3.469 peak  5959 weight  1.00000E+00 volume  2.91451E+05 ppm1      8.132 ppm2      4.814 !2

ASSI {1293}   (( resid 129  and name  HN  ))   (  resid 124  and name  HE# ) 3.513 1.712 1.712 peak  6224 weight  1.00000E+00 volume  6.34888E+05 ppm1      8.019 ppm2      2.017

ASSI {1294}   (( resid 124  and name  HN  ))   (( resid 126  and name  HN  )) 3.127 1.427 2.726 peak  6549 weight  1.00000E+00 volume  5.48667E+05 ppm1      7.612 ppm2      6.933 !2

ASSI {1295}   (( resid 126  and name  HN  ))   (( resid 124  and name  HA  )) 2.645 0.945 1.385 peak  6551 weight  1.00000E+00 volume  2.40506E+06 ppm1      7.611 ppm2      4.793 !1

ASSI {1296}   (( resid 125  and name  HN  ))   (( resid 124  and name  HN  )) 3.09 1.39 1.699 peak  8188 weight  1.00000E+00 volume  5.85967E+05 ppm1      6.926 ppm2      8.876 !1

ASSI {1297}   (( resid 124  and name  HN  ))   (( resid 126  and name  HA  )) 3.293 1.593 4.564 peak  8194 weight  1.00000E+00 volume  3.40650E+05 ppm1      6.928 ppm2      4.923 !2

ASSI {1298}   (( resid 124  and name  HN  ))   (( resid 124  and name  HG1 )) 2.796 0.9955 0.9955 peak  8205 weight  1.00000E+00 volume  1.45038E+06 ppm1      6.931 ppm2      2.557

ASSI {1299}   (( resid 124  and name  HN  ))   (( resid 125  and name  HB2 )) 3.185 1.485 4.175 peak  8212 weight  1.00000E+00 volume  4.52732E+05 ppm1      6.935 ppm2      1.828 !2

ASSI {1300}   (( resid 125  and name  HN  ))   (( resid 124  and name  HA  )) 2.474 0.6745 0.6745 peak  8555 weight  1.00000E+00 volume  4.40212E+06 ppm1      8.876 ppm2      4.793

ASSI {1301}   (( resid 125  and name  HN  ))   (( resid 124  and name  HG1 )) 2.843 1.143 2.573 peak  8562 weight  1.00000E+00 volume  1.23089E+06 ppm1      8.874 ppm2      2.557 !2

ASSI {1302}   (( resid 124  and name  HB1 ))   (( resid 124  and name  HN  )) 2.89 1.09 1.09 peak 10941 weight  1.00000E+00 volume  1.05324E+06 ppm1      6.929 ppm2      2.182

ASSI {1303}   (( resid 171  and name  HE22))   (( resid 125  and name  HA  )) 2.862 1.062 1.062 peak  5359 weight  1.00000E+00 volume  1.18310E+06 ppm1      7.106 ppm2      4.389

ASSI {1304}   (( resid 127  and name  HN  ))   (( resid 125  and name  HA  )) 2.942 1.242 3.692 peak  5962 weight  1.00000E+00 volume  8.97154E+05 ppm1      8.128 ppm2      4.393 !3

ASSI {1305}   (( resid 125  and name  HN  ))   (( resid 126  and name  HN  )) 2.361 0.5605 0.5605 peak  6546 weight  1.00000E+00 volume  7.11390E+06 ppm1      7.610 ppm2      8.873

ASSI {1306}   (( resid 126  and name  HN  ))   (( resid 125  and name  HA  )) 2.645 0.8455 0.8455 peak  6553 weight  1.00000E+00 volume  2.45736E+06 ppm1      7.610 ppm2      4.387

ASSI {1307}   (  resid 125  and name  HD# )   (( resid 126  and name  HN  )) 3.14 1.34 1.34 peak  6554 weight  1.00000E+00 volume  5.12054E+05 ppm1      7.616 ppm2      3.234

ASSI {1308}   (( resid 126  and name  HN  ))   (( resid 125  and name  HB2 )) 2.619 0.919 1.558 peak  6562 weight  1.00000E+00 volume  2.64034E+06 ppm1      7.610 ppm2      1.846 !1

ASSI {1309}   (( resid 125  and name  HN  ))   (( resid 170  and name  HN  )) 3.336 1.636 3.796 peak  8550 weight  1.00000E+00 volume  3.13968E+05 ppm1      8.875 ppm2      7.281 !2

ASSI {1310}   (( resid 125  and name  HN  ))   (( resid 126  and name  HA  )) 3.072 1.372 2.482 peak  8557 weight  1.00000E+00 volume  6.52562E+05 ppm1      8.873 ppm2      4.920 !2

ASSI {1311}   (( resid 125  and name  HN  ))   (( resid 125  and name  HA  )) 2.756 0.9565 0.9565 peak  8558 weight  1.00000E+00 volume  1.61408E+06 ppm1      8.876 ppm2      4.389

ASSI {1312}   (( resid 125  and name  HN  ))   (  resid 125  and name  HD# ) 3.084 1.284 1.284 peak  8560 weight  1.00000E+00 volume  6.13814E+05 ppm1      8.873 ppm2      3.233

ASSI {1313}   (( resid 125  and name  HN  ))   (( resid 125  and name  HB2 )) 2.613 0.8135 0.8135 peak  8568 weight  1.00000E+00 volume  2.66646E+06 ppm1      8.876 ppm2      1.837

ASSI {1314}   (( resid 170  and name  HN  ))   (( resid 126  and name  HA  )) 2.822 1.022 1.022 peak  5631 weight  1.00000E+00 volume  1.32308E+06 ppm1      7.294 ppm2      4.913

ASSI {1315}   (( resid 170  and name  HN  ))   (( resid 126  and name  HB1 )) 3.024 1.324 1.714 peak  5642 weight  1.00000E+00 volume  7.33197E+05 ppm1      7.296 ppm2      1.977 !1

ASSI {1316}   (( resid 127  and name  HN  ))   (( resid 126  and name  HA  )) 2.679 0.879 0.879 peak  5957 weight  1.00000E+00 volume  2.11898E+06 ppm1      8.128 ppm2      4.915

ASSI {1317}   (( resid 127  and name  HN  ))   (( resid 126  and name  HB1 )) 2.855 1.055 1.055 peak  5965 weight  1.00000E+00 volume  1.19040E+06 ppm1      8.131 ppm2      1.980

ASSI {1318}   (( resid 129  and name  HN  ))   (( resid 126  and name  HA  )) 3.489 1.789 4.388 peak  6213 weight  1.00000E+00 volume  2.03795E+05 ppm1      8.020 ppm2      4.915 !3

ASSI {1319}   (( resid 127  and name  HN  ))   (( resid 126  and name  HN  )) 2.97 1.17 1.17 peak  6543 weight  1.00000E+00 volume  8.61923E+05 ppm1      7.610 ppm2      8.118

ASSI {1320}   (( resid 126  and name  HN  ))   (( resid 128  and name  HE1 )) 3.428 1.628 1.628 peak  6544 weight  1.00000E+00 volume  2.58885E+05 ppm1      7.607 ppm2      8.548

ASSI {1321}   (( resid 170  and name  HN  ))   (( resid 126  and name  HN  )) 2.965 1.265 2.595 peak  6547 weight  1.00000E+00 volume  8.64212E+05 ppm1      7.608 ppm2      7.280 !1

ASSI {1322}   (( resid 126  and name  HN  ))   (( resid 126  and name  HA  )) 2.705 0.905 0.905 peak  6550 weight  1.00000E+00 volume  1.98885E+06 ppm1      7.609 ppm2      4.919

ASSI {1323}   (( resid 126  and name  HN  ))   (( resid 127  and name  HB  )) 3.16 1.46 3.91 peak  6565 weight  1.00000E+00 volume  4.94395E+05 ppm1      7.611 ppm2      1.489 !3

ASSI {1324}   (( resid 127  and name  HG11))   (( resid 126  and name  HN  )) 3.358 1.658 3.958 peak  6570 weight  1.00000E+00 volume  2.85166E+05 ppm1      7.617 ppm2      0.851 !2

ASSI {1325}   (( resid 126  and name  HN  ))   (  resid 127  and name  HD1#) 3.902 2.102 2.102 peak  6571 weight  1.00000E+00 volume  2.71621E+05 ppm1      7.613 ppm2      0.350

ASSI {1326}   (  resid 126  and name  HG# )   (( resid 169  and name  HN  )) 3.006 1.306 2.776 peak  7351 weight  1.00000E+00 volume  7.57048E+05 ppm1      7.469 ppm2      2.209 !2

ASSI {1327}   (( resid 169  and name  HN  ))   (( resid 126  and name  HB1 )) 3.512 1.712 1.712 peak  7353 weight  1.00000E+00 volume  2.15472E+05 ppm1      7.463 ppm2      1.974

ASSI {1328}   (( resid 127  and name  HN  ))   (( resid 170  and name  HN  )) 3.014 1.215 1.215 peak  5628 weight  1.00000E+00 volume  7.71515E+05 ppm1      7.292 ppm2      8.126

ASSI {1329}   (( resid 170  and name  HN  ))   (  resid 127  and name  HD1#) 3.832 2.032 2.032 peak  5653 weight  1.00000E+00 volume  3.24949E+05 ppm1      7.291 ppm2      0.348

ASSI {1330}   (( resid 170  and name  HB  ))   (( resid 127  and name  HN  )) 2.859 1.159 2.418 peak  5969 weight  1.00000E+00 volume  1.16813E+06 ppm1      8.128 ppm2      1.630 !2

ASSI {1331}   (  resid 170  and name  HG2#)   (( resid 127  and name  HN  )) 3.329 1.629 2.059 peak  5972 weight  1.00000E+00 volume  9.76928E+05 ppm1      8.129 ppm2      0.795 !1

ASSI {1332}   (( resid 127  and name  HN  ))   (( resid 127  and name  HG11)) 2.968 1.168 1.168 peak  5973 weight  1.00000E+00 volume  8.58448E+05 ppm1      8.131 ppm2      0.843

ASSI {1333}   (  resid 170  and name  HG1#)   (( resid 127  and name  HN  )) 3.556 1.756 1.756 peak  5975 weight  1.00000E+00 volume  6.13134E+05 ppm1      8.129 ppm2      0.469

ASSI {1334}   (( resid 127  and name  HN  ))   (  resid 127  and name  HD1#) 3.411 1.611 1.611 peak  5976 weight  1.00000E+00 volume  8.13110E+05 ppm1      8.129 ppm2      0.344

ASSI {1335}   (( resid 129  and name  HN  ))   (( resid 127  and name  HN  )) 2.862 1.162 3.592 peak  6194 weight  1.00000E+00 volume  1.11630E+06 ppm1      8.021 ppm2      8.106 !3

ASSI {1336}   (( resid 129  and name  HN  ))   (( resid 127  and name  HA  )) 2.745 0.945 0.945 peak  6214 weight  1.00000E+00 volume  1.71976E+06 ppm1      8.019 ppm2      4.405

ASSI {1337}   (( resid 129  and name  HN  ))   (  resid 127  and name  HD1#) 3.497 1.797 2.427 peak  6234 weight  1.00000E+00 volume  6.42420E+05 ppm1      8.022 ppm2      0.348 !1

ASSI {1338}   (( resid 99   and name  HN  ))   (( resid 127  and name  HA  )) 3.176 1.476 1.976 peak  7305 weight  1.00000E+00 volume  4.61677E+05 ppm1      8.083 ppm2      4.406 !1

ASSI {1339}   (( resid 171  and name  HN  ))   (  resid 127  and name  HD1#) 3.946 2.146 2.146 peak  7651 weight  1.00000E+00 volume  2.47722E+05 ppm1      8.542 ppm2      0.348

ASSI {1340}   (( resid 172  and name  HN  ))   (  resid 127  and name  HD1#) 3.506 1.806 4.126 peak  8847 weight  1.00000E+00 volume  6.45322E+05 ppm1      8.358 ppm2      0.345 !2

ASSI {1341}   (( resid 129  and name  HN  ))   (( resid 128  and name  HB1 )) 2.874 1.074 1.074 peak  6220 weight  1.00000E+00 volume  1.12690E+06 ppm1      8.020 ppm2      3.148

ASSI {1342}   (( resid 128  and name  HB1 ))   (( resid 99   and name  HN  )) 3.299 1.599 3.949 peak  7309 weight  1.00000E+00 volume  3.35187E+05 ppm1      8.080 ppm2      3.132 !1

ASSI {1343}   (( resid 128  and name  HA  ))   (( resid 162  and name  HN  )) 3.176 1.476 3.707 peak  9387 weight  1.00000E+00 volume  4.86855E+05 ppm1      8.155 ppm2      4.729 !2

ASSI {1344}   (( resid 129  and name  HB1 ))   (( resid 130  and name  HN  )) 3.423 1.623 1.623 peak  5581 weight  1.00000E+00 volume  2.41364E+05 ppm1      9.960 ppm2      4.504

ASSI {1345}   (( resid 129  and name  HB2 ))   (( resid 130  and name  HN  )) 3.361 1.561 1.561 peak  5582 weight  1.00000E+00 volume  2.90778E+05 ppm1      9.949 ppm2      4.285

ASSI {1346}   (( resid 129  and name  HN  ))   (( resid 130  and name  HN  )) 3.288 1.488 1.488 peak  6198 weight  1.00000E+00 volume  3.67141E+05 ppm1      8.019 ppm2      9.952

ASSI {1347}   (( resid 129  and name  HN  ))   (( resid 163  and name  HE3 )) 3.088 1.388 4.538 peak  6201 weight  1.00000E+00 volume  6.11693E+05 ppm1      8.016 ppm2      7.108 !3

ASSI {1348}   (( resid 129  and name  HN  ))   (  resid 99   and name  HE# ) 3.553 1.853 3.993 peak  6205 weight  1.00000E+00 volume  3.72085E+05 ppm1      8.013 ppm2      6.388 !1

ASSI {1349}   (( resid 129  and name  HN  ))   (( resid 130  and name  HA  )) 3.413 1.614 1.614 peak  6206 weight  1.00000E+00 volume  3.23164E+05 ppm1      8.009 ppm2      5.800

ASSI {1350}   (( resid 129  and name  HN  ))   (( resid 99   and name  HA  )) 3.312 1.612 2.292 peak  6208 weight  1.00000E+00 volume  3.57638E+05 ppm1      8.016 ppm2      5.482 !1

ASSI {1351}   (( resid 129  and name  HN  ))   (( resid 129  and name  HA  )) 2.808 1.008 1.008 peak  6212 weight  1.00000E+00 volume  1.41015E+06 ppm1      8.018 ppm2      4.635

ASSI {1352}   (( resid 129  and name  HB2 ))   (( resid 129  and name  HN  )) 3.067 1.267 1.267 peak  6215 weight  1.00000E+00 volume  6.32722E+05 ppm1      8.020 ppm2      4.289

ASSI {1353}   (( resid 129  and name  HN  ))   (( resid 130  and name  HB2 )) 3.46 1.659 1.659 peak  6222 weight  1.00000E+00 volume  2.44659E+05 ppm1      8.021 ppm2      2.811

ASSI {1354}   (( resid 129  and name  HN  ))   (( resid 168  and name  HG1 )) 3.109 1.409 2.418 peak  6225 weight  1.00000E+00 volume  5.80879E+05 ppm1      8.018 ppm2      1.672 !1
OR {1354}   (( resid 129  and name  HN  ))   (( resid 168  and name  HB1 ))

ASSI {1355}   (( resid 129  and name  HN  ))   (  resid 131  and name  HG# ) 2.954 1.254 4.534 peak  6228 weight  1.00000E+00 volume  9.24377E+05 ppm1      8.017 ppm2      1.516 !2

ASSI {1356}   (( resid 129  and name  HN  ))   (  resid 170  and name  HG2#) 3.654 1.954 4.904 peak  6232 weight  1.00000E+00 volume  4.75147E+05 ppm1      8.023 ppm2      0.782 !2

ASSI {1357}   (( resid 129  and name  HN  ))   (( resid 99   and name  HN  )) 2.796 0.9965 0.9965 peak  7282 weight  1.00000E+00 volume  1.29930E+06 ppm1      8.085 ppm2      8.010

ASSI {1358}   (( resid 99   and name  HN  ))   (( resid 129  and name  HA  )) 3.312 1.612 2.052 peak  7303 weight  1.00000E+00 volume  3.26558E+05 ppm1      8.084 ppm2      4.642 !1

ASSI {1359}   (( resid 129  and name  HA  ))   (( resid 157  and name  HN  )) 3.513 1.813 2.263 peak  9364 weight  1.00000E+00 volume  2.13433E+05 ppm1      8.166 ppm2      4.610 !1

ASSI {1360}   (( resid 130  and name  HN  ))   (( resid 163  and name  HE3 )) 3.285 1.585 2.996 peak  5568 weight  1.00000E+00 volume  3.48704E+05 ppm1      9.954 ppm2      7.097 !2

ASSI {1361}   (( resid 130  and name  HN  ))   (( resid 98   and name  HA  )) 3.451 1.651 1.651 peak  5580 weight  1.00000E+00 volume  2.27546E+05 ppm1      9.958 ppm2      4.762

ASSI {1362}   (( resid 130  and name  HN  ))   (( resid 130  and name  HB2 )) 3.662 1.862 1.862 peak  5587 weight  1.00000E+00 volume  1.41400E+05 ppm1      9.956 ppm2      2.820

ASSI {1363}   (( resid 99   and name  HN  ))   (( resid 130  and name  HA  )) 2.976 1.176 1.176 peak  7297 weight  1.00000E+00 volume  8.30163E+05 ppm1      8.081 ppm2      5.813

ASSI {1364}   (( resid 99   and name  HN  ))   (( resid 130  and name  HB2 )) 3.189 1.389 1.389 peak  7310 weight  1.00000E+00 volume  4.48149E+05 ppm1      8.083 ppm2      2.811

ASSI {1365}   (( resid 156  and name  HN  ))   (( resid 131  and name  HA  )) 3.645 1.945 3.525 peak  5006 weight  1.00000E+00 volume  1.50791E+05 ppm1      7.972 ppm2      5.224 !3

ASSI {1366}   (( resid 99   and name  HN  ))   (( resid 131  and name  HA  )) 3.14 1.44 5.59 peak  7299 weight  1.00000E+00 volume  5.22049E+05 ppm1      8.083 ppm2      5.213 !3

ASSI {1367}   (  resid 131  and name  HD# )   (( resid 157  and name  HN  )) 3.388 1.688 2.358 peak  9373 weight  1.00000E+00 volume  2.73489E+05 ppm1      8.170 ppm2      1.691 !1
OR {1367}   (( resid 131  and name  HB2 ))   (( resid 157  and name  HN  ))

ASSI {1368}   (( resid 97   and name  HN  ))   (( resid 131  and name  HB1 )) 3.494 1.794 3.234 peak  9760 weight  1.00000E+00 volume  2.16116E+05 ppm1      8.863 ppm2      1.856 !2

ASSI {1369}   (( resid 157  and name  HN  ))   (( resid 131  and name  HA  )) 3.074 1.374 1.804 peak 11360 weight  1.00000E+00 volume  6.35752E+05 ppm1      8.173 ppm2      5.214 !1

ASSI {1370}   (( resid 96   and name  HN  ))   (  resid 133  and name  HD# ) 3.67 1.97 2.4 peak  9507 weight  1.00000E+00 volume  4.31568E+05 ppm1      9.042 ppm2      0.744 !1

ASSI {1371}   (( resid 134  and name  HN  ))   (( resid 134  and name  HA  )) 3.168 1.368 1.368 peak  5295 weight  1.00000E+00 volume  4.85645E+05 ppm1      8.869 ppm2      4.609

ASSI {1372}   (( resid 92   and name  HN  ))   (( resid 134  and name  HG2 )) 3.346 1.546 1.546 peak  6246 weight  1.00000E+00 volume  3.08554E+05 ppm1      8.057 ppm2      2.144

ASSI {1373}   (( resid 93   and name  HN  ))   (( resid 134  and name  HA  )) 3.449 1.749 5.439 peak  6466 weight  1.00000E+00 volume  2.45535E+05 ppm1      7.819 ppm2      4.621 !3

ASSI {1374}   (( resid 93   and name  HN  ))   (( resid 134  and name  HG2 )) 3.101 1.401 1.821 peak  6474 weight  1.00000E+00 volume  5.32048E+05 ppm1      7.819 ppm2      2.151 !1

ASSI {1375}   (( resid 134  and name  HA  ))   (( resid 90   and name  HN  )) 3.12 1.42 3.561 peak  6652 weight  1.00000E+00 volume  5.70806E+05 ppm1      8.697 ppm2      4.629 !2

ASSI {1376}   (( resid 90   and name  HN  ))   (( resid 134  and name  HG2 )) 3.351 1.651 3.15 peak  6662 weight  1.00000E+00 volume  3.09580E+05 ppm1      8.705 ppm2      2.142 !2

ASSI {1377}   (  resid 136  and name  HG1#)   (( resid 176  and name  HN  )) 3.796 1.996 1.996 peak  5485 weight  1.00000E+00 volume  3.41474E+05 ppm1      7.880 ppm2      0.990

ASSI {1378}   (( resid 87   and name  HN  ))   (( resid 136  and name  HA  )) 3.328 1.628 3.648 peak  8169 weight  1.00000E+00 volume  3.24647E+05 ppm1      8.669 ppm2      4.778 !3

ASSI {1379}   (( resid 176  and name  HN  ))   (( resid 137  and name  HA  )) 3.073 1.273 1.273 peak  5236 weight  1.00000E+00 volume  6.57211E+05 ppm1      7.877 ppm2      5.326

ASSI {1380}   (( resid 174  and name  HN  ))   (( resid 137  and name  HZ3 )) 3.22 1.52 5.96 peak  5658 weight  1.00000E+00 volume  4.30715E+05 ppm1      9.536 ppm2      7.328 !3

ASSI {1381}   (( resid 174  and name  HN  ))   (( resid 137  and name  HH2 )) 3.163 1.463 3.123 peak  5662 weight  1.00000E+00 volume  5.08588E+05 ppm1      9.530 ppm2      6.921 !2
OR {1381}   (( resid 174  and name  HN  ))   (( resid 137  and name  HD1 ))

ASSI {1382}   (( resid 174  and name  HN  ))   (( resid 137  and name  HA  )) 3.137 1.437 3.767 peak  5672 weight  1.00000E+00 volume  5.60076E+05 ppm1      9.543 ppm2      5.341 !3

ASSI {1383}   (( resid 137  and name  HB1 ))   (( resid 152  and name  HN  )) 3.465 1.765 2.775 peak  6734 weight  1.00000E+00 volume  2.39644E+05 ppm1      9.317 ppm2      2.587 !2

ASSI {1384}   (( resid 140  and name  HN  ))   (( resid 137  and name  HD1 )) 3.43 1.73 2.98 peak  8858 weight  1.00000E+00 volume  2.46154E+05 ppm1      8.965 ppm2      6.898 !2

ASSI {1385}   (( resid 138  and name  HN  ))   (( resid 137  and name  HE3 )) 3.492 1.692 1.692 peak  9107 weight  1.00000E+00 volume  2.19664E+05 ppm1      9.448 ppm2      7.304
OR {1385}   (( resid 138  and name  HN  ))   (( resid 137  and name  HZ3 ))

ASSI {1386}   (( resid 175  and name  HN  ))   (( resid 137  and name  HH2 )) 3.302 1.602 2.332 peak  9472 weight  1.00000E+00 volume  3.21840E+05 ppm1      8.498 ppm2      6.892 !1
OR {1386}   (( resid 175  and name  HN  ))   (( resid 137  and name  HD1 ))

ASSI {1387}   (( resid 96   and name  HN  ))   (( resid 137  and name  HH2 )) 3.383 1.583 1.583 peak  9494 weight  1.00000E+00 volume  2.84429E+05 ppm1      9.040 ppm2      6.918

ASSI {1388}   (( resid 97   and name  HN  ))   (( resid 137  and name  HZ2 )) 3.448 1.748 3.328 peak  9749 weight  1.00000E+00 volume  2.36886E+05 ppm1      8.868 ppm2      7.071 !1

ASSI {1389}   (( resid 138  and name  HN  ))   (( resid 176  and name  HN  )) 3.497 1.697 1.697 peak  5230 weight  1.00000E+00 volume  2.29923E+05 ppm1      7.872 ppm2      9.455

ASSI {1390}   (( resid 138  and name  HN  ))   (( resid 174  and name  HN  )) 3.046 1.346 1.786 peak  5654 weight  1.00000E+00 volume  6.28660E+05 ppm1      9.539 ppm2      9.434 !1

ASSI {1391}   (( resid 174  and name  HN  ))   (  resid 138  and name  HG2#) 3.529 1.729 1.729 peak  5690 weight  1.00000E+00 volume  6.10600E+05 ppm1      9.541 ppm2      0.332

ASSI {1392}   (( resid 139  and name  HN  ))   (( resid 138  and name  HN  )) 3.612 1.812 1.812 peak  6872 weight  1.00000E+00 volume  1.70016E+05 ppm1      8.975 ppm2      9.445

ASSI {1393}   (( resid 139  and name  HN  ))   (  resid 138  and name  HD1#) 3.355 1.655 2.015 peak  6892 weight  1.00000E+00 volume  8.91968E+05 ppm1      8.963 ppm2      0.776 !1

ASSI {1394}   (( resid 139  and name  HN  ))   (  resid 138  and name  HG2#) 3.188 1.388 1.388 peak  6896 weight  1.00000E+00 volume  1.38947E+06 ppm1      8.964 ppm2      0.327

ASSI {1395}   (  resid 138  and name  HD1#)   (( resid 61   and name  HN  )) 3.482 1.683 1.683 peak  8592 weight  1.00000E+00 volume  6.72373E+05 ppm1      8.185 ppm2      0.798

ASSI {1396}   (( resid 146  and name  HN  ))   (  resid 138  and name  HG2#) 3.941 2.241 3.581 peak  8797 weight  1.00000E+00 volume  2.63382E+05 ppm1      6.134 ppm2      0.332 !2

ASSI {1397}   (( resid 140  and name  HN  ))   (  resid 138  and name  HG2#) 3.612 1.812 1.812 peak  8886 weight  1.00000E+00 volume  5.01594E+05 ppm1      8.957 ppm2      0.338

ASSI {1398}   (( resid 138  and name  HN  ))   (( resid 174  and name  HA  )) 3.516 1.816 3.596 peak  9109 weight  1.00000E+00 volume  1.91915E+05 ppm1      9.449 ppm2      5.247 !2

ASSI {1399}   (( resid 138  and name  HN  ))   (( resid 138  and name  HG12)) 3.261 1.461 1.461 peak  9117 weight  1.00000E+00 volume  3.73842E+05 ppm1      9.452 ppm2      1.501

ASSI {1400}   (( resid 176  and name  HG11))   (( resid 138  and name  HN  )) 3.448 1.648 1.648 peak  9118 weight  1.00000E+00 volume  2.37056E+05 ppm1      9.444 ppm2      1.384

ASSI {1401}   (( resid 139  and name  HA  ))   (( resid 141  and name  HN  )) 3.554 1.854 2.525 peak  5429 weight  1.00000E+00 volume  1.82072E+05 ppm1      9.250 ppm2      5.469 !1

ASSI {1402}   (( resid 174  and name  HN  ))   (( resid 139  and name  HA  )) 3.103 1.403 1.822 peak  5671 weight  1.00000E+00 volume  5.82076E+05 ppm1      9.539 ppm2      5.472 !1

ASSI {1403}   (( resid 139  and name  HN  ))   (( resid 150  and name  HN  )) 3.091 1.291 1.291 peak  6871 weight  1.00000E+00 volume  6.26416E+05 ppm1      8.972 ppm2      8.729

ASSI {1404}   (( resid 139  and name  HN  ))   (  resid 140  and name  HD# ) 3.78 1.98 1.98 peak  6873 weight  1.00000E+00 volume  2.24201E+05 ppm1      8.962 ppm2      7.128

ASSI {1405}   (( resid 139  and name  HN  ))   (( resid 139  and name  HA  )) 3.452 1.652 1.652 peak  6877 weight  1.00000E+00 volume  2.41687E+05 ppm1      8.970 ppm2      5.473

ASSI {1406}   (( resid 139  and name  HN  ))   (( resid 150  and name  HA  )) 3.194 1.494 2.704 peak  6879 weight  1.00000E+00 volume  4.20944E+05 ppm1      8.971 ppm2      4.943 !2

ASSI {1407}   (( resid 139  and name  HN  ))   (( resid 139  and name  HB1 )) 3.152 1.352 1.352 peak  6886 weight  1.00000E+00 volume  4.77394E+05 ppm1      8.967 ppm2      2.962

ASSI {1408}   (( resid 149  and name  HB1 ))   (( resid 139  and name  HN  )) 3.165 1.465 1.865 peak  6889 weight  1.00000E+00 volume  4.54692E+05 ppm1      8.965 ppm2      1.564 !1

ASSI {1409}   (( resid 142  and name  HN  ))   (( resid 139  and name  HB1 )) 3.364 1.664 3.893 peak  8139 weight  1.00000E+00 volume  2.95233E+05 ppm1      8.063 ppm2      2.960 !2

ASSI {1410}   (( resid 139  and name  HA  ))   (( resid 172  and name  HN  )) 3.264 1.564 3.514 peak  8813 weight  1.00000E+00 volume  3.74762E+05 ppm1      8.358 ppm2      5.474 !2

ASSI {1411}   (( resid 139  and name  HB1 ))   (( resid 172  and name  HN  )) 3.433 1.733 3.993 peak  8830 weight  1.00000E+00 volume  2.39196E+05 ppm1      8.362 ppm2      2.961 !2

ASSI {1412}   (( resid 140  and name  HN  ))   (( resid 139  and name  HZ  )) 3.331 1.631 3.731 peak  8865 weight  1.00000E+00 volume  3.22826E+05 ppm1      8.961 ppm2      6.250 !1

ASSI {1413}   (( resid 139  and name  HA  ))   (( resid 140  and name  HN  )) 2.836 1.036 1.036 peak  8867 weight  1.00000E+00 volume  1.22992E+06 ppm1      8.959 ppm2      5.471

ASSI {1414}   (( resid 139  and name  HB1 ))   (( resid 140  and name  HN  )) 3.087 1.287 1.287 peak  8875 weight  1.00000E+00 volume  6.40757E+05 ppm1      8.958 ppm2      2.966

ASSI {1415}   (( resid 139  and name  HB2 ))   (( resid 140  and name  HN  )) 3.231 1.43 1.43 peak  8876 weight  1.00000E+00 volume  4.17525E+05 ppm1      8.961 ppm2      3.066

ASSI {1416}   (( resid 150  and name  HN  ))   (  resid 139  and name  HE# ) 3.696 1.996 5.446 peak  9322 weight  1.00000E+00 volume  2.78425E+05 ppm1      8.743 ppm2      5.434 !3

ASSI {1417}   (( resid 150  and name  HN  ))   (( resid 139  and name  HB1 )) 3.336 1.536 1.536 peak  9327 weight  1.00000E+00 volume  3.13536E+05 ppm1      8.741 ppm2      2.990

ASSI {1418}   (( resid 141  and name  HN  ))   (  resid 140  and name  HE# ) 4.131 2.331 2.331 peak  4937 weight  1.00000E+00 volume  1.17554E+05 ppm1      9.245 ppm2      6.646

ASSI {1419}   (( resid 141  and name  HN  ))   (  resid 140  and name  HD# ) 3.912 2.112 2.112 peak  5428 weight  1.00000E+00 volume  1.66338E+05 ppm1      9.245 ppm2      7.110

ASSI {1420}   (( resid 144  and name  HN  ))   (( resid 140  and name  HB1 )) 3.379 1.679 2.409 peak  6345 weight  1.00000E+00 volume  2.74288E+05 ppm1      9.680 ppm2      3.594 !1

ASSI {1421}   (( resid 171  and name  HN  ))   (( resid 140  and name  HB2 )) 3.471 1.771 3.521 peak  7638 weight  1.00000E+00 volume  2.51952E+05 ppm1      8.533 ppm2      3.311 !2

ASSI {1422}   (( resid 142  and name  HN  ))   (  resid 140  and name  HD# ) 3.855 2.055 2.055 peak  8119 weight  1.00000E+00 volume  1.99183E+05 ppm1      8.068 ppm2      7.116

ASSI {1423}   (( resid 142  and name  HN  ))   (( resid 140  and name  HA  )) 3.142 1.342 1.342 peak  8129 weight  1.00000E+00 volume  5.19179E+05 ppm1      8.069 ppm2      5.765

ASSI {1424}   (( resid 142  and name  HN  ))   (( resid 140  and name  HB2 )) 3.043 1.243 1.243 peak  8138 weight  1.00000E+00 volume  6.78496E+05 ppm1      8.070 ppm2      3.315

ASSI {1425}   (( resid 145  and name  HN  ))   (( resid 140  and name  HB1 )) 3.208 1.408 1.408 peak  8672 weight  1.00000E+00 volume  4.73730E+05 ppm1      7.879 ppm2      3.590

ASSI {1426}   (( resid 146  and name  HN  ))   (( resid 140  and name  HB1 )) 2.933 1.133 1.133 peak  8775 weight  1.00000E+00 volume  9.58352E+05 ppm1      6.139 ppm2      3.588

ASSI {1427}   (( resid 146  and name  HN  ))   (( resid 140  and name  HB2 )) 2.972 1.172 1.172 peak  8779 weight  1.00000E+00 volume  8.40052E+05 ppm1      6.141 ppm2      3.321

ASSI {1428}   (( resid 172  and name  HN  ))   (( resid 140  and name  HA  )) 3.257 1.557 3.827 peak  8812 weight  1.00000E+00 volume  4.14080E+05 ppm1      8.357 ppm2      5.765 !3

ASSI {1429}   (( resid 140  and name  HB2 ))   (( resid 172  and name  HN  )) 2.979 1.179 1.179 peak  8828 weight  1.00000E+00 volume  8.62812E+05 ppm1      8.356 ppm2      3.314

ASSI {1430}   (( resid 141  and name  HN  ))   (( resid 140  and name  HN  )) 3.579 1.779 1.779 peak  8850 weight  1.00000E+00 volume  1.67868E+05 ppm1      8.963 ppm2      9.242

ASSI {1431}   (( resid 174  and name  HN  ))   (( resid 140  and name  HN  )) 3.411 1.711 2.141 peak  8851 weight  1.00000E+00 volume  2.73041E+05 ppm1      8.962 ppm2      9.528 !1

ASSI {1432}   (( resid 171  and name  HN  ))   (( resid 140  and name  HN  )) 3.256 1.556 3.286 peak  8852 weight  1.00000E+00 volume  3.93432E+05 ppm1      8.957 ppm2      8.520 !2

ASSI {1433}   (( resid 172  and name  HN  ))   (( resid 140  and name  HN  )) 3.08 1.38 1.82 peak  8853 weight  1.00000E+00 volume  6.41667E+05 ppm1      8.953 ppm2      8.352 !1

ASSI {1434}   (( resid 142  and name  HN  ))   (( resid 140  and name  HN  )) 3.48 1.68 1.68 peak  8854 weight  1.00000E+00 volume  2.24741E+05 ppm1      8.952 ppm2      8.070

ASSI {1435}   (( resid 140  and name  HN  ))   (  resid 140  and name  HE# ) 3.468 1.768 2.398 peak  8862 weight  1.00000E+00 volume  4.44674E+05 ppm1      8.954 ppm2      6.646 !1

ASSI {1436}   (( resid 140  and name  HN  ))   (( resid 173  and name  HA  )) 3.162 1.361 1.361 peak  8863 weight  1.00000E+00 volume  4.91469E+05 ppm1      8.960 ppm2      6.380

ASSI {1437}   (( resid 146  and name  HN  ))   (( resid 140  and name  HN  )) 2.967 1.267 4.627 peak  8864 weight  1.00000E+00 volume  8.57172E+05 ppm1      8.957 ppm2      6.135 !3

ASSI {1438}   (( resid 140  and name  HN  ))   (( resid 140  and name  HA  )) 3.115 1.315 1.315 peak  8866 weight  1.00000E+00 volume  5.77233E+05 ppm1      8.955 ppm2      5.760

ASSI {1439}   (( resid 173  and name  HB1 ))   (( resid 140  and name  HN  )) 3.333 1.533 1.533 peak  8871 weight  1.00000E+00 volume  3.37206E+05 ppm1      8.966 ppm2      3.734

ASSI {1440}   (( resid 173  and name  HB2 ))   (( resid 140  and name  HN  )) 3.2 1.4 1.4 peak  8873 weight  1.00000E+00 volume  4.40466E+05 ppm1      8.963 ppm2      3.508

ASSI {1441}   (( resid 140  and name  HB2 ))   (( resid 140  and name  HN  )) 3.047 1.247 1.247 peak  8874 weight  1.00000E+00 volume  6.70195E+05 ppm1      8.960 ppm2      3.310

ASSI {1442}   (  resid 142  and name  HB# )   (( resid 140  and name  HN  )) 3.365 1.665 3.465 peak  8882 weight  1.00000E+00 volume  2.90089E+05 ppm1      8.957 ppm2      1.452 !1

ASSI {1443}   (  resid 170  and name  HG1#)   (( resid 140  and name  HN  )) 3.181 1.481 1.931 peak  8885 weight  1.00000E+00 volume  1.44028E+06 ppm1      8.960 ppm2      0.472 !1

ASSI {1444}   (( resid 174  and name  HN  ))   (  resid 140  and name  HD# ) 3.435 1.635 1.635 peak 10062 weight  1.00000E+00 volume  5.13948E+05 ppm1      9.537 ppm2      7.107

ASSI {1445}   (( resid 172  and name  HN  ))   (  resid 140  and name  HE# ) 3.556 1.856 4.226 peak 11186 weight  1.00000E+00 volume  3.63823E+05 ppm1      8.355 ppm2      6.661 !1

ASSI {1446}   (( resid 141  and name  HB1 ))   (( resid 141  and name  HN  )) 3.111 1.311 1.311 peak  4944 weight  1.00000E+00 volume  5.43044E+05 ppm1      9.239 ppm2      2.375

ASSI {1447}   (( resid 148  and name  HB2 ))   (( resid 141  and name  HN  )) 3.72 1.92 1.92 peak  4946 weight  1.00000E+00 volume  1.32409E+05 ppm1      9.246 ppm2      1.669

ASSI {1448}   (( resid 149  and name  HB1 ))   (( resid 141  and name  HN  )) 3.334 1.634 3.284 peak  4947 weight  1.00000E+00 volume  3.21499E+05 ppm1      9.250 ppm2      1.555 !2

ASSI {1449}   (( resid 141  and name  HB2 ))   (( resid 170  and name  HN  )) 3.237 1.537 4.537 peak  5638 weight  1.00000E+00 volume  3.93352E+05 ppm1      7.292 ppm2      2.522 !3

ASSI {1450}   (( resid 170  and name  HN  ))   (( resid 141  and name  HG1 )) 3.415 1.715 3.125 peak  5640 weight  1.00000E+00 volume  2.61649E+05 ppm1      7.290 ppm2      2.638 !2

ASSI {1451}   (( resid 141  and name  HG1 ))   (( resid 148  and name  HN  )) 3.401 1.701 3.011 peak  6059 weight  1.00000E+00 volume  2.59604E+05 ppm1      8.603 ppm2      2.645 !2

ASSI {1452}   (( resid 169  and name  HN  ))   (( resid 141  and name  HG1 )) 3.377 1.677 4.337 peak  7349 weight  1.00000E+00 volume  3.07463E+05 ppm1      7.463 ppm2      2.631 !3

ASSI {1453}   (( resid 171  and name  HN  ))   (( resid 141  and name  HA  )) 2.66 0.96 2.71 peak  7633 weight  1.00000E+00 volume  2.18036E+06 ppm1      8.542 ppm2      4.406 !2

ASSI {1454}   (( resid 171  and name  HN  ))   (( resid 141  and name  HG1 )) 3.357 1.657 2.887 peak  7642 weight  1.00000E+00 volume  3.00653E+05 ppm1      8.540 ppm2      2.653 !2

ASSI {1455}   (( resid 142  and name  HN  ))   (( resid 141  and name  HN  )) 3.014 1.215 1.215 peak  8115 weight  1.00000E+00 volume  7.26410E+05 ppm1      8.071 ppm2      9.261

ASSI {1456}   (( resid 142  and name  HN  ))   (( resid 141  and name  HA  )) 2.979 1.179 1.179 peak  8134 weight  1.00000E+00 volume  8.11631E+05 ppm1      8.072 ppm2      4.418

ASSI {1457}   (( resid 141  and name  HB1 ))   (( resid 142  and name  HN  )) 2.777 0.9775 0.9775 peak  8142 weight  1.00000E+00 volume  1.47193E+06 ppm1      8.069 ppm2      2.371

ASSI {1458}   (( resid 172  and name  HN  ))   (( resid 141  and name  HA  )) 2.716 1.016 3.326 peak  8821 weight  1.00000E+00 volume  1.88528E+06 ppm1      8.358 ppm2      4.413 !3

ASSI {1459}   (( resid 141  and name  HB1 ))   (( resid 150  and name  HN  )) 3.295 1.595 4.494 peak  9329 weight  1.00000E+00 volume  3.38043E+05 ppm1      8.741 ppm2      2.363 !2

ASSI {1460}   (( resid 150  and name  HN  ))   (( resid 141  and name  HG1 )) 3.522 1.822 5.982 peak  9330 weight  1.00000E+00 volume  1.93123E+05 ppm1      8.744 ppm2      2.638 !3

ASSI {1461}   (( resid 148  and name  HN  ))   (( resid 141  and name  HA  )) 3.261 1.561 3.461 peak 10166 weight  1.00000E+00 volume  3.91171E+05 ppm1      8.618 ppm2      4.420 !2

ASSI {1462}   (( resid 142  and name  HN  ))   (( resid 148  and name  HN  )) 3.527 1.728 1.728 peak  6052 weight  1.00000E+00 volume  1.98977E+05 ppm1      8.613 ppm2      8.061

ASSI {1463}   (  resid 142  and name  HD1#)   (( resid 148  and name  HN  )) 3.633 1.933 2.453 peak  6063 weight  1.00000E+00 volume  4.63596E+05 ppm1      8.612 ppm2      0.909 !1

ASSI {1464}   (  resid 142  and name  HB# )   (( resid 147  and name  HN  )) 3.134 1.334 1.334 peak  6102 weight  1.00000E+00 volume  4.96585E+05 ppm1      8.368 ppm2      1.459

ASSI {1465}   (  resid 142  and name  HD1#)   (( resid 147  and name  HN  )) 3.286 1.586 2.106 peak  6103 weight  1.00000E+00 volume  1.06839E+06 ppm1      8.368 ppm2      0.900 !1

ASSI {1466}   (( resid 171  and name  HN  ))   (( resid 142  and name  HN  )) 3.425 1.725 3.545 peak  7626 weight  1.00000E+00 volume  2.43626E+05 ppm1      8.548 ppm2      8.082 !3

ASSI {1467}   (( resid 142  and name  HN  ))   (( resid 145  and name  HN  )) 3.303 1.603 2.413 peak  8118 weight  1.00000E+00 volume  3.44880E+05 ppm1      8.060 ppm2      7.880 !1

ASSI {1468}   (( resid 142  and name  HN  ))   (( resid 142  and name  HA  )) 2.87 1.071 1.071 peak  8131 weight  1.00000E+00 volume  1.15908E+06 ppm1      8.067 ppm2      4.984

ASSI {1469}   (( resid 142  and name  HN  ))   (( resid 145  and name  HA  )) 3.521 1.821 2.991 peak  8140 weight  1.00000E+00 volume  1.94616E+05 ppm1      8.069 ppm2      2.807 !2

ASSI {1470}   (( resid 142  and name  HN  ))   (( resid 146  and name  HB1 )) 3.098 1.398 3.118 peak  8146 weight  1.00000E+00 volume  5.99563E+05 ppm1      8.066 ppm2      1.903 !3

ASSI {1471}   (( resid 142  and name  HN  ))   (( resid 148  and name  HB2 )) 3.075 1.375 4.755 peak  8150 weight  1.00000E+00 volume  5.69488E+05 ppm1      8.070 ppm2      1.654 !2

ASSI {1472}   (( resid 142  and name  HN  ))   (  resid 170  and name  HG1#) 3.949 2.249 3.709 peak  8159 weight  1.00000E+00 volume  2.42537E+05 ppm1      8.070 ppm2      0.463 !2

ASSI {1473}   (( resid 145  and name  HN  ))   (  resid 142  and name  HD1#) 3.887 2.187 4.457 peak  8688 weight  1.00000E+00 volume  2.74178E+05 ppm1      7.879 ppm2      0.918 !3

ASSI {1474}   (( resid 142  and name  HN  ))   (( resid 146  and name  HN  )) 2.995 1.295 1.705 peak  8756 weight  1.00000E+00 volume  8.02579E+05 ppm1      6.140 ppm2      8.075 !1

ASSI {1475}   (( resid 146  and name  HN  ))   (  resid 142  and name  HD1#) 3.217 1.517 3.407 peak  8794 weight  1.00000E+00 volume  1.30694E+06 ppm1      6.141 ppm2      0.899 !3

ASSI {1476}   (( resid 146  and name  HN  ))   (  resid 142  and name  HD2#) 3.639 1.84 1.84 peak  8796 weight  1.00000E+00 volume  4.58087E+05 ppm1      6.142 ppm2      0.988

ASSI {1477}   (( resid 172  and name  HN  ))   (( resid 142  and name  HA  )) 3.234 1.534 1.984 peak  8815 weight  1.00000E+00 volume  4.01594E+05 ppm1      8.359 ppm2      4.982 !1

ASSI {1478}   (( resid 144  and name  HN  ))   (( resid 143  and name  HA  )) 2.747 0.947 0.947 peak  6342 weight  1.00000E+00 volume  1.64348E+06 ppm1      9.683 ppm2      4.168

ASSI {1479}   (( resid 143  and name  HB1 ))   (( resid 144  and name  HN  )) 2.901 1.101 1.101 peak  6355 weight  1.00000E+00 volume  1.00576E+06 ppm1      9.682 ppm2      1.829

ASSI {1480}   (( resid 171  and name  HN  ))   (( resid 143  and name  HD1 )) 3.255 1.555 5.145 peak  7637 weight  1.00000E+00 volume  3.78764E+05 ppm1      8.543 ppm2      3.626 !3

ASSI {1481}   (( resid 145  and name  HN  ))   (( resid 143  and name  HA  )) 2.886 1.086 1.086 peak  8668 weight  1.00000E+00 volume  1.05253E+06 ppm1      7.884 ppm2      4.152

ASSI {1482}   (( resid 145  and name  HN  ))   (  resid 143  and name  HG# ) 3.319 1.619 2.859 peak  8682 weight  1.00000E+00 volume  3.16108E+05 ppm1      7.882 ppm2      2.053 !2

ASSI {1483}   (( resid 146  and name  HN  ))   (( resid 143  and name  HD2 )) 3.145 1.445 2.205 peak  8776 weight  1.00000E+00 volume  5.29862E+05 ppm1      6.141 ppm2      3.673 !1

ASSI {1484}   (( resid 146  and name  HN  ))   (  resid 143  and name  HG# ) 3.208 1.508 2.708 peak  8786 weight  1.00000E+00 volume  4.41807E+05 ppm1      6.138 ppm2      2.042 !1

ASSI {1485}   (( resid 172  and name  HN  ))   (( resid 143  and name  HA  )) 3.021 1.221 1.221 peak  8823 weight  1.00000E+00 volume  7.19822E+05 ppm1      8.358 ppm2      4.144

ASSI {1486}   (  resid 143  and name  HG# )   (( resid 172  and name  HN  )) 3.195 1.495 2.405 peak  8837 weight  1.00000E+00 volume  4.74345E+05 ppm1      8.355 ppm2      2.053 !1

ASSI {1487}   (( resid 144  and name  HN  ))   (( resid 144  and name  HD21)) 3.442 1.642 1.642 peak  6142 weight  1.00000E+00 volume  2.46034E+05 ppm1      7.392 ppm2      9.680

ASSI {1488}   (( resid 144  and name  HN  ))   (( resid 144  and name  HD22)) 3.276 1.476 1.476 peak  6337 weight  1.00000E+00 volume  3.52695E+05 ppm1      9.684 ppm2      6.775

ASSI {1489}   (( resid 144  and name  HN  ))   (( resid 173  and name  HN  )) 3.314 1.614 2.884 peak  6503 weight  1.00000E+00 volume  3.41500E+05 ppm1      8.937 ppm2      9.677 !2

ASSI {1490}   (( resid 144  and name  HA  ))   (( resid 173  and name  HN  )) 3.447 1.747 3.177 peak  6529 weight  1.00000E+00 volume  2.39316E+05 ppm1      8.940 ppm2      3.161 !2

ASSI {1491}   (( resid 144  and name  HN  ))   (( resid 145  and name  HN  )) 2.946 1.146 1.146 peak  8651 weight  1.00000E+00 volume  9.29923E+05 ppm1      7.885 ppm2      9.682

ASSI {1492}   (( resid 145  and name  HN  ))   (( resid 144  and name  HD22)) 2.956 1.256 3.066 peak  8658 weight  1.00000E+00 volume  8.50449E+05 ppm1      7.881 ppm2      6.772 !2

ASSI {1493}   (( resid 145  and name  HN  ))   (( resid 144  and name  HB2 )) 3.038 1.239 1.239 peak  8678 weight  1.00000E+00 volume  6.98080E+05 ppm1      7.880 ppm2      2.731

ASSI {1494}   (( resid 144  and name  HN  ))   (( resid 146  and name  HN  )) 3.168 1.468 1.909 peak  8762 weight  1.00000E+00 volume  5.18505E+05 ppm1      6.139 ppm2      9.672 !1

ASSI {1495}   (( resid 144  and name  HB2 ))   (( resid 146  and name  HN  )) 3.032 1.332 2.032 peak  8785 weight  1.00000E+00 volume  7.01704E+05 ppm1      6.142 ppm2      2.717 !1

ASSI {1496}   (( resid 145  and name  HN  ))   (( resid 173  and name  HN  )) 3.205 1.505 1.945 peak  6505 weight  1.00000E+00 volume  4.35875E+05 ppm1      8.937 ppm2      7.878 !1

ASSI {1497}   (( resid 145  and name  HN  ))   (( resid 146  and name  HE  )) 3.488 1.788 4.038 peak  8653 weight  1.00000E+00 volume  2.19316E+05 ppm1      7.889 ppm2      7.047 !2

ASSI {1498}   (( resid 145  and name  HN  ))   (( resid 173  and name  HA  )) 3.35 1.55 1.55 peak  8660 weight  1.00000E+00 volume  3.17810E+05 ppm1      7.884 ppm2      6.361

ASSI {1499}   (( resid 145  and name  HN  ))   (( resid 146  and name  HN  )) 2.79 0.9905 0.9905 peak  8661 weight  1.00000E+00 volume  1.49804E+06 ppm1      7.884 ppm2      6.133

ASSI {1500}   (( resid 145  and name  HN  ))   (( resid 172  and name  HA  )) 3.304 1.604 3.514 peak  8663 weight  1.00000E+00 volume  3.65412E+05 ppm1      7.879 ppm2      4.551 !2

ASSI {1501}   (( resid 145  and name  HN  ))   (  resid 172  and name  HB# ) 2.86 1.16 1.62 peak  8666 weight  1.00000E+00 volume  1.13543E+06 ppm1      7.884 ppm2      4.212 !1

ASSI {1502}   (( resid 145  and name  HN  ))   (( resid 145  and name  HB1 )) 2.904 1.103 1.103 peak  8676 weight  1.00000E+00 volume  1.01338E+06 ppm1      7.882 ppm2      2.936

ASSI {1503}   (( resid 145  and name  HN  ))   (( resid 145  and name  HA  )) 2.819 1.019 1.019 peak  8677 weight  1.00000E+00 volume  1.32578E+06 ppm1      7.880 ppm2      2.820

ASSI {1504}   (( resid 145  and name  HN  ))   (( resid 145  and name  HB2 )) 2.867 1.067 1.067 peak  8683 weight  1.00000E+00 volume  1.15846E+06 ppm1      7.884 ppm2      1.870

ASSI {1505}   (( resid 146  and name  HN  ))   (( resid 145  and name  HB1 )) 2.958 1.258 2.438 peak  8782 weight  1.00000E+00 volume  8.88542E+05 ppm1      6.140 ppm2      2.931 !2

ASSI {1506}   (( resid 146  and name  HN  ))   (( resid 145  and name  HB2 )) 2.643 0.943 1.792 peak  8787 weight  1.00000E+00 volume  2.37531E+06 ppm1      6.140 ppm2      1.891 !1

ASSI {1507}   (( resid 145  and name  HN  ))   (( resid 172  and name  HN  )) 3.22 1.42 1.42 peak  8804 weight  1.00000E+00 volume  4.22718E+05 ppm1      8.357 ppm2      7.887

ASSI {1508}   (( resid 147  and name  HN  ))   (( resid 146  and name  HA  )) 2.796 0.9955 0.9955 peak  6094 weight  1.00000E+00 volume  1.39194E+06 ppm1      8.369 ppm2      4.853

ASSI {1509}   (( resid 146  and name  HD2 ))   (( resid 147  and name  HN  )) 3.184 1.484 3.694 peak  6097 weight  1.00000E+00 volume  4.39979E+05 ppm1      8.371 ppm2      3.230 !3

ASSI {1510}   (( resid 146  and name  HB1 ))   (( resid 147  and name  HN  )) 2.867 1.067 1.067 peak  6100 weight  1.00000E+00 volume  1.10833E+06 ppm1      8.371 ppm2      1.922

ASSI {1511}   (( resid 146  and name  HN  ))   (( resid 148  and name  HN  )) 3.425 1.725 4.215 peak  8758 weight  1.00000E+00 volume  2.63489E+05 ppm1      6.145 ppm2      8.609 !2

ASSI {1512}   (( resid 146  and name  HN  ))   (( resid 146  and name  HA  )) 2.772 0.9725 0.9725 peak  8767 weight  1.00000E+00 volume  1.54804E+06 ppm1      6.141 ppm2      4.851

ASSI {1513}   (( resid 146  and name  HN  ))   (( resid 172  and name  HA  )) 3.418 1.718 4.858 peak  8770 weight  1.00000E+00 volume  2.73785E+05 ppm1      6.139 ppm2      4.562 !3

ASSI {1514}   (( resid 146  and name  HD2 ))   (( resid 146  and name  HN  )) 2.8 1.1 2.809 peak  8778 weight  1.00000E+00 volume  1.43726E+06 ppm1      6.141 ppm2      3.226 !3

ASSI {1515}   (( resid 146  and name  HN  ))   (( resid 174  and name  HD1 )) 3.529 1.829 4.079 peak  8789 weight  1.00000E+00 volume  2.01564E+05 ppm1      6.144 ppm2      2.182 !3

ASSI {1516}   (( resid 146  and name  HN  ))   (( resid 172  and name  HN  )) 3.229 1.529 2.859 peak  8811 weight  1.00000E+00 volume  4.44544E+05 ppm1      8.358 ppm2      6.125 !2

ASSI {1517}   (( resid 146  and name  HN  ))   (( resid 147  and name  HN  )) 3.298 1.498 1.498 peak 10180 weight  1.00000E+00 volume  3.43420E+05 ppm1      8.370 ppm2      6.131

ASSI {1518}   (( resid 147  and name  HN  ))   (( resid 148  and name  HN  )) 3.337 1.537 1.537 peak  6049 weight  1.00000E+00 volume  3.07797E+05 ppm1      8.611 ppm2      8.355

ASSI {1519}   (( resid 147  and name  HN  ))   (( resid 147  and name  HA1 )) 2.933 1.133 1.133 peak  6095 weight  1.00000E+00 volume  9.04586E+05 ppm1      8.367 ppm2      4.311

ASSI {1520}   (( resid 149  and name  HG2 ))   (( resid 148  and name  HN  )) 2.955 1.255 4.955 peak  6057 weight  1.00000E+00 volume  8.41364E+05 ppm1      8.603 ppm2      2.503 !4

ASSI {1521}   (( resid 148  and name  HB2 ))   (( resid 148  and name  HN  )) 3.097 1.297 1.297 peak  6061 weight  1.00000E+00 volume  5.69231E+05 ppm1      8.611 ppm2      1.655

ASSI {1522}   (( resid 148  and name  HG2 ))   (( resid 148  and name  HN  )) 3.04 1.34 1.75 peak  6062 weight  1.00000E+00 volume  6.58871E+05 ppm1      8.607 ppm2      1.487 !1

ASSI {1523}   (( resid 150  and name  HN  ))   (( resid 148  and name  HN  )) 3.31 1.61 4.16 peak  9312 weight  1.00000E+00 volume  3.27867E+05 ppm1      8.739 ppm2      8.619 !2

ASSI {1524}   (( resid 171  and name  HN  ))   (( resid 149  and name  HA  )) 3.389 1.689 6.3 peak  7632 weight  1.00000E+00 volume  2.85859E+05 ppm1      8.549 ppm2      4.878 !3

ASSI {1525}   (( resid 61   and name  HN  ))   (( resid 149  and name  HE22)) 3.182 1.482 1.902 peak  8574 weight  1.00000E+00 volume  4.70446E+05 ppm1      8.181 ppm2      7.892 !1

ASSI {1526}   (( resid 149  and name  HB2 ))   (( resid 61   and name  HN  )) 3.601 1.901 2.391 peak  8588 weight  1.00000E+00 volume  1.77440E+05 ppm1      8.183 ppm2      1.740 !1

ASSI {1527}   (( resid 150  and name  HN  ))   (( resid 149  and name  HA  )) 2.95 1.15 1.15 peak  9323 weight  1.00000E+00 volume  8.63163E+05 ppm1      8.736 ppm2      4.887

ASSI {1528}   (( resid 149  and name  HB2 ))   (( resid 150  and name  HN  )) 3.213 1.413 1.413 peak  9332 weight  1.00000E+00 volume  4.24185E+05 ppm1      8.737 ppm2      1.754

ASSI {1529}   (( resid 150  and name  HB1 ))   (( resid 163  and name  HN  )) 3.588 1.888 2.828 peak  5456 weight  1.00000E+00 volume  1.63387E+05 ppm1      7.604 ppm2      3.573 !2

ASSI {1530}   (( resid 164  and name  HN  ))   (  resid 150  and name  HE# ) 3.681 1.981 3.411 peak  6432 weight  1.00000E+00 volume  2.89840E+05 ppm1      7.818 ppm2      6.720 !2

ASSI {1531}   (( resid 151  and name  HN  ))   (( resid 150  and name  HN  )) 3.376 1.576 1.576 peak  7719 weight  1.00000E+00 volume  2.83438E+05 ppm1      8.279 ppm2      8.724

ASSI {1532}   (( resid 167  and name  HN  ))   (  resid 150  and name  HE# ) 3.499 1.799 2.209 peak  9130 weight  1.00000E+00 volume  4.25858E+05 ppm1      7.634 ppm2      6.697 !1

ASSI {1533}   (( resid 150  and name  HN  ))   (( resid 150  and name  HA  )) 3.021 1.221 1.221 peak  9324 weight  1.00000E+00 volume  6.76999E+05 ppm1      8.732 ppm2      4.947

ASSI {1534}   (( resid 150  and name  HB1 ))   (( resid 150  and name  HN  )) 3.263 1.463 1.463 peak  9326 weight  1.00000E+00 volume  3.75279E+05 ppm1      8.734 ppm2      3.562

ASSI {1535}   (( resid 150  and name  HB1 ))   (( resid 151  and name  HN  )) 3.362 1.562 1.562 peak 10771 weight  1.00000E+00 volume  2.63915E+05 ppm1      8.278 ppm2      3.593

ASSI {1536}   (( resid 48   and name  HN  ))   (  resid 151  and name  HD# ) 3.398 1.698 3.348 peak  5723 weight  1.00000E+00 volume  8.04782E+05 ppm1      9.523 ppm2      0.765 !2

ASSI {1537}   (( resid 151  and name  HN  ))   (( resid 151  and name  HG  )) 3.099 1.399 2.11 peak  7745 weight  1.00000E+00 volume  5.73875E+05 ppm1      8.281 ppm2      1.348 !1

ASSI {1538}   (( resid 151  and name  HN  ))   (( resid 151  and name  HB2 )) 2.835 1.034 1.034 peak 10777 weight  1.00000E+00 volume  1.21203E+06 ppm1      8.282 ppm2      1.900

ASSI {1539}   (( resid 151  and name  HN  ))   (  resid 151  and name  HD# ) 3.213 1.413 1.413 peak 10782 weight  1.00000E+00 volume  1.25484E+06 ppm1      8.280 ppm2      0.759

ASSI {1540}   (( resid 156  and name  HN  ))   (( resid 156  and name  HA  )) 2.799 0.999 0.999 peak  5007 weight  1.00000E+00 volume  1.43127E+06 ppm1      7.971 ppm2      3.938

ASSI {1541}   (( resid 156  and name  HN  ))   (( resid 156  and name  HG2 )) 3.252 1.552 2.082 peak  5011 weight  1.00000E+00 volume  3.93408E+05 ppm1      7.972 ppm2      2.033 !1

ASSI {1542}   (( resid 156  and name  HN  ))   (  resid 156  and name  HB# ) 3.354 1.554 1.554 peak  5012 weight  1.00000E+00 volume  3.16475E+05 ppm1      7.967 ppm2      1.935

ASSI {1543}   (( resid 157  and name  HN  ))   (( resid 156  and name  HG2 )) 3.474 1.675 1.675 peak 11366 weight  1.00000E+00 volume  2.36328E+05 ppm1      8.172 ppm2      2.034

ASSI {1544}   (( resid 157  and name  HN  ))   (( resid 163  and name  HE3 )) 3.595 1.895 2.344 peak  9361 weight  1.00000E+00 volume  1.68674E+05 ppm1      8.162 ppm2      7.107 !1

ASSI {1545}   (( resid 157  and name  HN  ))   (( resid 163  and name  HA  )) 3.498 1.798 5.668 peak  9362 weight  1.00000E+00 volume  2.20200E+05 ppm1      8.159 ppm2      5.333 !3

ASSI {1546}   (( resid 159  and name  HN  ))   (( resid 158  and name  HN  )) 2.956 1.156 1.156 peak  8627 weight  1.00000E+00 volume  8.65604E+05 ppm1      7.865 ppm2      8.979

ASSI {1547}   (( resid 159  and name  HN  ))   (  resid 158  and name  HG# ) 3.198 1.398 1.398 peak  8642 weight  1.00000E+00 volume  4.35739E+05 ppm1      7.874 ppm2      1.701

ASSI {1548}   (( resid 162  and name  HN  ))   (( resid 158  and name  HN  )) 3.469 1.769 2.319 peak  9379 weight  1.00000E+00 volume  2.33750E+05 ppm1      8.150 ppm2      8.982 !1

ASSI {1549}   (( resid 162  and name  HN  ))   (( resid 158  and name  HA  )) 3.159 1.459 4.939 peak  9395 weight  1.00000E+00 volume  5.14829E+05 ppm1      8.153 ppm2      3.395 !3

ASSI {1550}   (( resid 163  and name  HN  ))   (( resid 159  and name  HG1 )) 3.735 2.035 2.685 peak  5056 weight  1.00000E+00 volume  1.32914E+05 ppm1      7.601 ppm2      1.192 !1

ASSI {1551}   (( resid 163  and name  HN  ))   (( resid 159  and name  HN  )) 3.261 1.561 3.121 peak  8625 weight  1.00000E+00 volume  3.71269E+05 ppm1      7.867 ppm2      7.609 !2

ASSI {1552}   (( resid 159  and name  HN  ))   (( resid 159  and name  HA  )) 3.068 1.268 1.268 peak  8630 weight  1.00000E+00 volume  6.20286E+05 ppm1      7.867 ppm2      5.275

ASSI {1553}   (( resid 159  and name  HN  ))   (( resid 162  and name  HA  )) 3.189 1.389 1.389 peak  8632 weight  1.00000E+00 volume  4.57588E+05 ppm1      7.868 ppm2      4.602

ASSI {1554}   (( resid 160  and name  HD1 ))   (( resid 159  and name  HN  )) 3.364 1.664 2.123 peak  8633 weight  1.00000E+00 volume  2.90037E+05 ppm1      7.872 ppm2      4.080 !1

ASSI {1555}   (( resid 159  and name  HN  ))   (( resid 159  and name  HB2 )) 2.818 1.018 1.018 peak  8641 weight  1.00000E+00 volume  1.31304E+06 ppm1      7.869 ppm2      1.579
OR {1555}   (( resid 159  and name  HN  ))   (( resid 159  and name  HD1 ))

ASSI {1556}   (( resid 159  and name  HN  ))   (( resid 160  and name  HG1 )) 3.261 1.561 3.262 peak  8643 weight  1.00000E+00 volume  3.40505E+05 ppm1      7.873 ppm2      1.498 !2
OR {1556}   (( resid 159  and name  HN  ))   (( resid 160  and name  HB2 ))

ASSI {1557}   (( resid 159  and name  HN  ))   (( resid 160  and name  HA  )) 3.324 1.624 2.233 peak  8645 weight  1.00000E+00 volume  3.29085E+05 ppm1      7.868 ppm2      1.049 !1

ASSI {1558}   (( resid 159  and name  HN  ))   (( resid 159  and name  HG1 )) 3.032 1.232 1.232 peak  8646 weight  1.00000E+00 volume  6.91802E+05 ppm1      7.868 ppm2      1.185

ASSI {1559}   (( resid 159  and name  HN  ))   (  resid 161  and name  HD1#) 3.675 1.874 1.874 peak  8647 weight  1.00000E+00 volume  4.38863E+05 ppm1      7.869 ppm2      0.734
OR {1559}   (( resid 159  and name  HN  ))   (  resid 161  and name  HG2#)

ASSI {1560}   (( resid 162  and name  HN  ))   (( resid 159  and name  HA  )) 3.269 1.469 1.469 peak  9385 weight  1.00000E+00 volume  3.67995E+05 ppm1      8.155 ppm2      5.271

ASSI {1561}   (( resid 162  and name  HN  ))   (  resid 159  and name  HE# ) 3.091 1.391 2.501 peak  9399 weight  1.00000E+00 volume  6.01922E+05 ppm1      8.160 ppm2      2.873 !2

ASSI {1562}   (( resid 162  and name  HN  ))   (( resid 159  and name  HB1 )) 3.142 1.442 2.322 peak  9400 weight  1.00000E+00 volume  5.21637E+05 ppm1      8.157 ppm2      1.938 !2

ASSI {1563}   (( resid 162  and name  HN  ))   (( resid 159  and name  HB2 )) 2.878 1.078 1.078 peak  9402 weight  1.00000E+00 volume  1.09105E+06 ppm1      8.155 ppm2      1.572
OR {1563}   (( resid 162  and name  HN  ))   (( resid 159  and name  HD1 ))

ASSI {1564}   (( resid 159  and name  HG1 ))   (( resid 162  and name  HN  )) 2.84 1.04 1.04 peak  9404 weight  1.00000E+00 volume  1.26008E+06 ppm1      8.154 ppm2      1.192

ASSI {1565}   (( resid 161  and name  HN  ))   (( resid 159  and name  HG2 )) 2.83 1.13 2.5 peak  9612 weight  1.00000E+00 volume  1.26047E+06 ppm1      7.189 ppm2      1.320 !1

ASSI {1566}   (( resid 161  and name  HN  ))   (( resid 159  and name  HG1 )) 2.849 1.149 2.569 peak  9613 weight  1.00000E+00 volume  1.23539E+06 ppm1      7.185 ppm2      1.202 !1

ASSI {1567}   (( resid 163  and name  HN  ))   (( resid 160  and name  HB2 )) 3.66 1.96 2.421 peak  5054 weight  1.00000E+00 volume  1.46524E+05 ppm1      7.596 ppm2      1.508 !1

ASSI {1568}   (( resid 163  and name  HN  ))   (( resid 160  and name  HA  )) 3.388 1.587 1.587 peak  5057 weight  1.00000E+00 volume  2.81566E+05 ppm1      7.596 ppm2      1.045

ASSI {1569}   (( resid 164  and name  HN  ))   (( resid 160  and name  HA  )) 3.189 1.489 4.399 peak  6456 weight  1.00000E+00 volume  4.61954E+05 ppm1      7.816 ppm2      1.061 !3

ASSI {1570}   (( resid 169  and name  HN  ))   (( resid 160  and name  HG2 )) 3.272 1.572 4.622 peak  7355 weight  1.00000E+00 volume  3.39179E+05 ppm1      7.468 ppm2      1.762 !3

ASSI {1571}   (( resid 160  and name  HB1 ))   (( resid 169  and name  HN  )) 3.187 1.487 1.887 peak  7360 weight  1.00000E+00 volume  5.05209E+05 ppm1      7.466 ppm2      1.028 !1

ASSI {1572}   (( resid 167  and name  HN  ))   (( resid 160  and name  HG2 )) 3.225 1.525 3.075 peak  9143 weight  1.00000E+00 volume  4.20830E+05 ppm1      7.639 ppm2      1.758 !2

ASSI {1573}   (( resid 167  and name  HN  ))   (( resid 160  and name  HA  )) 3.052 1.352 2.672 peak  9150 weight  1.00000E+00 volume  6.89431E+05 ppm1      7.646 ppm2      1.039 !2

ASSI {1574}   (( resid 162  and name  HN  ))   (( resid 160  and name  HA  )) 2.994 1.193 1.193 peak  9405 weight  1.00000E+00 volume  8.24879E+05 ppm1      8.156 ppm2      1.051

ASSI {1575}   (( resid 160  and name  HD1 ))   (( resid 161  and name  HN  )) 3.223 1.422 1.422 peak  9605 weight  1.00000E+00 volume  3.99849E+05 ppm1      7.188 ppm2      4.083

ASSI {1576}   (( resid 160  and name  HD2 ))   (( resid 161  and name  HN  )) 3.09 1.289 1.289 peak  9607 weight  1.00000E+00 volume  5.91575E+05 ppm1      7.196 ppm2      3.423

ASSI {1577}   (( resid 161  and name  HN  ))   (( resid 160  and name  HA  )) 2.958 1.158 1.158 peak  9614 weight  1.00000E+00 volume  8.40771E+05 ppm1      7.191 ppm2      1.059

ASSI {1578}   (( resid 161  and name  HN  ))   (( resid 160  and name  HB1 )) 3.075 1.276 1.276 peak  9615 weight  1.00000E+00 volume  5.81889E+05 ppm1      7.191 ppm2      0.998

ASSI {1579}   (( resid 165  and name  HN  ))   (( resid 160  and name  HA  )) 3.162 1.462 3.002 peak  9742 weight  1.00000E+00 volume  5.26712E+05 ppm1      7.105 ppm2      1.041 !2

ASSI {1580}   (( resid 163  and name  HN  ))   (( resid 161  and name  HN  )) 3.171 1.471 1.921 peak  5044 weight  1.00000E+00 volume  4.55102E+05 ppm1      7.597 ppm2      7.188 !1

ASSI {1581}   (( resid 164  and name  HN  ))   (( resid 161  and name  HB  )) 3.143 1.443 2.103 peak  6453 weight  1.00000E+00 volume  5.44959E+05 ppm1      7.817 ppm2      1.671 !1

ASSI {1582}   (( resid 164  and name  HN  ))   (( resid 161  and name  HG11)) 3.304 1.604 2.754 peak  6455 weight  1.00000E+00 volume  3.66987E+05 ppm1      7.817 ppm2      1.353 !2

ASSI {1583}   (( resid 164  and name  HN  ))   (( resid 161  and name  HG12)) 3.243 1.543 4.053 peak  6457 weight  1.00000E+00 volume  3.87678E+05 ppm1      7.812 ppm2      1.252 !3

ASSI {1584}   (( resid 161  and name  HN  ))   (( resid 162  and name  HN  )) 2.724 0.9245 0.9245 peak  9381 weight  1.00000E+00 volume  1.82461E+06 ppm1      8.156 ppm2      7.174

ASSI {1585}   (( resid 165  and name  HN  ))   (  resid 161  and name  HD1#) 2.917 1.117 1.117 peak  9745 weight  1.00000E+00 volume  2.96941E+06 ppm1      7.107 ppm2      0.739
OR {1585}   (( resid 165  and name  HN  ))   (  resid 161  and name  HG2#)

ASSI {1586}   (( resid 163  and name  HN  ))   (( resid 162  and name  HB2 )) 3.261 1.461 1.461 peak  5052 weight  1.00000E+00 volume  3.67032E+05 ppm1      7.590 ppm2      3.133

ASSI {1587}   (( resid 164  and name  HN  ))   (( resid 162  and name  HN  )) 2.907 1.107 1.107 peak  6425 weight  1.00000E+00 volume  1.07197E+06 ppm1      7.818 ppm2      8.148

ASSI {1588}   (( resid 164  and name  HN  ))   (( resid 162  and name  HB2 )) 3.193 1.493 2.243 peak  6448 weight  1.00000E+00 volume  4.69527E+05 ppm1      7.816 ppm2      3.145 !1

ASSI {1589}   (( resid 163  and name  HN  ))   (( resid 162  and name  HN  )) 2.693 0.8935 0.8935 peak  9380 weight  1.00000E+00 volume  2.02969E+06 ppm1      8.155 ppm2      7.600

ASSI {1590}   (( resid 162  and name  HN  ))   (( resid 163  and name  HA  )) 3.266 1.566 2.226 peak  9386 weight  1.00000E+00 volume  3.60929E+05 ppm1      8.152 ppm2      5.330 !1

ASSI {1591}   (( resid 162  and name  HN  ))   (( resid 164  and name  HA1 )) 3.181 1.481 3.611 peak  9394 weight  1.00000E+00 volume  4.81317E+05 ppm1      8.156 ppm2      3.745 !2

ASSI {1592}   (  resid 170  and name  HG1#)   (( resid 162  and name  HN  )) 3.871 2.171 5.361 peak  9410 weight  1.00000E+00 volume  3.19621E+05 ppm1      8.162 ppm2      0.490 !2

ASSI {1593}   (( resid 165  and name  HN  ))   (( resid 162  and name  HN  )) 3.197 1.397 1.397 peak  9708 weight  1.00000E+00 volume  4.42463E+05 ppm1      7.108 ppm2      8.151

ASSI {1594}   (( resid 163  and name  HN  ))   (( resid 163  and name  HA  )) 2.952 1.152 1.152 peak  5047 weight  1.00000E+00 volume  9.06721E+05 ppm1      7.600 ppm2      5.320

ASSI {1595}   (( resid 163  and name  HN  ))   (( resid 164  and name  HA1 )) 3.168 1.468 1.978 peak  5050 weight  1.00000E+00 volume  4.78681E+05 ppm1      7.600 ppm2      3.760 !1

ASSI {1596}   (( resid 163  and name  HN  ))   (( resid 163  and name  HB2 )) 3.388 1.587 1.587 peak  5053 weight  1.00000E+00 volume  2.79540E+05 ppm1      7.592 ppm2      2.484

ASSI {1597}   (( resid 163  and name  HN  ))   (( resid 163  and name  HE1 )) 3.63 1.83 1.83 peak  5452 weight  1.00000E+00 volume  1.57888E+05 ppm1      7.583 ppm2      9.756

ASSI {1598}   (( resid 170  and name  HN  ))   (( resid 163  and name  HZ2 )) 2.255 0.555 3.375 peak  5625 weight  1.00000E+00 volume  1.11551E+07 ppm1      7.296 ppm2      7.294 !2

ASSI {1599}   (( resid 166  and name  HN  ))   (( resid 163  and name  HE1 )) 3.323 1.623 2.433 peak  6279 weight  1.00000E+00 volume  3.40526E+05 ppm1      9.771 ppm2      8.671 !1

ASSI {1600}   (( resid 164  and name  HN  ))   (( resid 163  and name  HN  )) 2.522 0.7225 0.7225 peak  6423 weight  1.00000E+00 volume  3.73945E+06 ppm1      7.819 ppm2      7.596

ASSI {1601}   (( resid 164  and name  HN  ))   (( resid 163  and name  HD1 )) 3.386 1.587 1.587 peak  6434 weight  1.00000E+00 volume  3.01771E+05 ppm1      7.816 ppm2      6.205

ASSI {1602}   (( resid 164  and name  HN  ))   (( resid 163  and name  HA  )) 2.877 1.077 1.077 peak  6435 weight  1.00000E+00 volume  1.12250E+06 ppm1      7.820 ppm2      5.318

ASSI {1603}   (( resid 164  and name  HN  ))   (( resid 163  and name  HB2 )) 3.211 1.411 1.411 peak  6450 weight  1.00000E+00 volume  4.48125E+05 ppm1      7.818 ppm2      2.483

ASSI {1604}   (( resid 167  and name  HN  ))   (( resid 163  and name  HE1 )) 3.215 1.415 1.415 peak  9127 weight  1.00000E+00 volume  4.45193E+05 ppm1      7.633 ppm2      9.756

ASSI {1605}   (( resid 163  and name  HN  ))   (( resid 165  and name  HN  )) 2.72 0.9205 0.9205 peak  9706 weight  1.00000E+00 volume  1.84948E+06 ppm1      7.108 ppm2      7.610

ASSI {1606}   (( resid 163  and name  HE1 ))   (( resid 165  and name  HN  )) 3.128 1.328 1.328 peak  9711 weight  1.00000E+00 volume  5.65661E+05 ppm1      7.105 ppm2      9.761

ASSI {1607}   (( resid 165  and name  HN  ))   (( resid 163  and name  HD1 )) 3.093 1.292 1.292 peak  9717 weight  1.00000E+00 volume  5.96363E+05 ppm1      7.107 ppm2      6.204

ASSI {1608}   (( resid 165  and name  HN  ))   (( resid 163  and name  HA  )) 3.214 1.514 1.834 peak  9720 weight  1.00000E+00 volume  4.35675E+05 ppm1      7.109 ppm2      5.322 !1

ASSI {1609}   (( resid 163  and name  HB2 ))   (( resid 165  and name  HN  )) 3.321 1.521 1.521 peak  9735 weight  1.00000E+00 volume  3.36074E+05 ppm1      7.111 ppm2      2.505

ASSI {1610}   (( resid 166  and name  HN  ))   (( resid 164  and name  HN  )) 3.527 1.827 3.498 peak  6426 weight  1.00000E+00 volume  2.15901E+05 ppm1      7.822 ppm2      8.682 !2

ASSI {1611}   (( resid 164  and name  HN  ))   (( resid 164  and name  HA2 )) 2.485 0.6845 0.6845 peak  6436 weight  1.00000E+00 volume  4.23640E+06 ppm1      7.818 ppm2      4.561

ASSI {1612}   (( resid 164  and name  HN  ))   (( resid 164  and name  HA1 )) 2.471 0.671 0.671 peak  6442 weight  1.00000E+00 volume  4.54230E+06 ppm1      7.818 ppm2      3.761

ASSI {1613}   (( resid 164  and name  HN  ))   (( resid 165  and name  HN  )) 2.529 0.7285 0.7285 peak  9707 weight  1.00000E+00 volume  3.68380E+06 ppm1      7.108 ppm2      7.817

ASSI {1614}   (( resid 165  and name  HN  ))   (( resid 164  and name  HA2 )) 2.622 0.822 0.822 peak  9724 weight  1.00000E+00 volume  2.51772E+06 ppm1      7.108 ppm2      4.563

ASSI {1615}   (( resid 166  and name  HN  ))   (( resid 165  and name  HN  )) 2.865 1.165 1.805 peak  7803 weight  1.00000E+00 volume  1.19440E+06 ppm1      8.678 ppm2      7.101 !1

ASSI {1616}   (( resid 166  and name  HN  ))   (( resid 165  and name  HA  )) 2.414 0.6145 0.6145 peak  7808 weight  1.00000E+00 volume  5.48415E+06 ppm1      8.683 ppm2      4.496

ASSI {1617}   (( resid 167  and name  HN  ))   (( resid 165  and name  HN  )) 3.088 1.288 1.288 peak  9128 weight  1.00000E+00 volume  5.89452E+05 ppm1      7.639 ppm2      7.103

ASSI {1618}   (( resid 165  and name  HN  ))   (( resid 167  and name  HA  )) 3.4 1.7 3.62 peak  9722 weight  1.00000E+00 volume  2.69502E+05 ppm1      7.108 ppm2      4.913 !2

ASSI {1619}   (( resid 165  and name  HN  ))   (( resid 165  and name  HA  )) 2.581 0.7805 0.7805 peak  9723 weight  1.00000E+00 volume  2.94472E+06 ppm1      7.106 ppm2      4.490

ASSI {1620}   (( resid 165  and name  HN  ))   (( resid 168  and name  HD1 )) 3.3 1.6 4.62 peak  9729 weight  1.00000E+00 volume  3.35212E+05 ppm1      7.112 ppm2      3.638 !2

ASSI {1621}   (( resid 165  and name  HN  ))   (  resid 166  and name  HB# ) 3.423 1.723 2.353 peak  9738 weight  1.00000E+00 volume  7.76145E+05 ppm1      7.108 ppm2      1.444 !1

ASSI {1622}   (  resid 170  and name  HG1#)   (( resid 165  and name  HN  )) 3.884 2.184 4.254 peak  9746 weight  1.00000E+00 volume  2.95616E+05 ppm1      7.109 ppm2      0.495 !2

ASSI {1623}   (( resid 166  and name  HN  ))   (( resid 167  and name  HA  )) 3.168 1.468 2.188 peak  7809 weight  1.00000E+00 volume  5.00810E+05 ppm1      8.688 ppm2      4.914 !1

ASSI {1624}   (( resid 166  and name  HN  ))   (( resid 168  and name  HA  )) 3.011 1.311 4.341 peak  7811 weight  1.00000E+00 volume  7.63416E+05 ppm1      8.684 ppm2      4.601 !2

ASSI {1625}   (( resid 166  and name  HN  ))   (( resid 168  and name  HD1 )) 3.272 1.572 4.072 peak  7816 weight  1.00000E+00 volume  3.59949E+05 ppm1      8.684 ppm2      3.653 !2

ASSI {1626}   (( resid 166  and name  HN  ))   (  resid 166  and name  HB# ) 2.571 0.7705 0.7705 peak  7820 weight  1.00000E+00 volume  9.44852E+06 ppm1      8.683 ppm2      1.430

ASSI {1627}   (( resid 166  and name  HN  ))   (( resid 167  and name  HN  )) 2.348 0.548 0.548 peak  9126 weight  1.00000E+00 volume  7.45934E+06 ppm1      7.642 ppm2      8.681

ASSI {1628}   (( resid 167  and name  HN  ))   (  resid 166  and name  HB# ) 2.673 0.8735 0.8735 peak  9147 weight  1.00000E+00 volume  6.58274E+06 ppm1      7.643 ppm2      1.433

ASSI {1629}   (( resid 169  and name  HN  ))   (( resid 167  and name  HB1 )) 2.768 0.9685 0.9685 peak  7345 weight  1.00000E+00 volume  1.59402E+06 ppm1      7.469 ppm2      4.155

ASSI {1630}   (( resid 169  and name  HN  ))   (( resid 167  and name  HB2 )) 2.777 1.077 1.607 peak  7347 weight  1.00000E+00 volume  1.51455E+06 ppm1      7.470 ppm2      3.784 !1

ASSI {1631}   (( resid 167  and name  HN  ))   (( resid 169  and name  HN  )) 3.047 1.347 2.657 peak  9125 weight  1.00000E+00 volume  6.68247E+05 ppm1      7.646 ppm2      7.474 !2

ASSI {1632}   (( resid 167  and name  HN  ))   (( resid 167  and name  HA  )) 2.629 0.829 0.829 peak  9132 weight  1.00000E+00 volume  2.51123E+06 ppm1      7.642 ppm2      4.920

ASSI {1633}   (( resid 168  and name  HA  ))   (( resid 167  and name  HN  )) 3.262 1.462 1.462 peak  9135 weight  1.00000E+00 volume  3.75467E+05 ppm1      7.643 ppm2      4.602

ASSI {1634}   (( resid 167  and name  HN  ))   (( resid 168  and name  HD1 )) 2.73 1.03 2.17 peak  9139 weight  1.00000E+00 volume  1.75420E+06 ppm1      7.642 ppm2      3.665 !2

ASSI {1635}   (  resid 170  and name  HG1#)   (( resid 167  and name  HN  )) 4.078 2.378 3.598 peak  9155 weight  1.00000E+00 volume  1.80984E+05 ppm1      7.645 ppm2      0.491 !1

ASSI {1636}   (( resid 168  and name  HA  ))   (( resid 170  and name  HN  )) 3.028 1.328 1.738 peak  5634 weight  1.00000E+00 volume  7.23780E+05 ppm1      7.296 ppm2      4.584 !1

ASSI {1637}   (( resid 168  and name  HB2 ))   (( resid 170  and name  HN  )) 3.388 1.587 1.587 peak  5648 weight  1.00000E+00 volume  2.80588E+05 ppm1      7.284 ppm2      1.227

ASSI {1638}   (( resid 168  and name  HA  ))   (( resid 169  and name  HN  )) 2.649 0.8495 0.8495 peak  7342 weight  1.00000E+00 volume  2.41885E+06 ppm1      7.469 ppm2      4.595

ASSI {1639}   (( resid 168  and name  HD2 ))   (( resid 169  and name  HN  )) 2.633 0.8335 0.8335 peak  7346 weight  1.00000E+00 volume  2.46195E+06 ppm1      7.469 ppm2      3.721

ASSI {1640}   (( resid 168  and name  HD1 ))   (( resid 169  and name  HN  )) 2.75 1.05 1.53 peak  7348 weight  1.00000E+00 volume  1.65681E+06 ppm1      7.470 ppm2      3.658 !1

ASSI {1641}   (( resid 170  and name  HN  ))   (  resid 169  and name  HB# ) 2.845 1.045 1.045 peak  5643 weight  1.00000E+00 volume  3.69723E+06 ppm1      7.295 ppm2      1.455

ASSI {1642}   (( resid 169  and name  HN  ))   (( resid 171  and name  HE21)) 3.372 1.672 5.472 peak  6724 weight  1.00000E+00 volume  2.84067E+05 ppm1      7.710 ppm2      7.448 !3

ASSI {1643}   (( resid 170  and name  HN  ))   (( resid 169  and name  HN  )) 2.688 0.988 2.188 peak  7333 weight  1.00000E+00 volume  2.08524E+06 ppm1      7.470 ppm2      7.295 !2

ASSI {1644}   (( resid 170  and name  HN  ))   (( resid 171  and name  HE22)) 3.417 1.717 3.137 peak  5623 weight  1.00000E+00 volume  2.67799E+05 ppm1      7.293 ppm2      7.102 !3

ASSI {1645}   (  resid 170  and name  HG1#)   (( resid 170  and name  HN  )) 3.346 1.546 1.546 peak  5651 weight  1.00000E+00 volume  9.33828E+05 ppm1      7.293 ppm2      0.480

ASSI {1646}   (( resid 171  and name  HN  ))   (( resid 170  and name  HN  )) 3.159 1.359 1.359 peak  7628 weight  1.00000E+00 volume  5.07308E+05 ppm1      8.550 ppm2      7.291

ASSI {1647}   (( resid 171  and name  HN  ))   (  resid 170  and name  HG2#) 3.482 1.683 1.683 peak  7647 weight  1.00000E+00 volume  6.66202E+05 ppm1      8.538 ppm2      0.788

ASSI {1648}   (( resid 171  and name  HN  ))   (  resid 170  and name  HG1#) 3.118 1.418 1.738 peak  7650 weight  1.00000E+00 volume  1.68871E+06 ppm1      8.542 ppm2      0.473 !1

ASSI {1649}   (( resid 170  and name  HN  ))   (( resid 172  and name  HN  )) 3.228 1.528 4.248 peak  8805 weight  1.00000E+00 volume  4.05751E+05 ppm1      8.363 ppm2      7.301 !2

ASSI {1650}   (( resid 170  and name  HB  ))   (( resid 172  and name  HN  )) 3.063 1.363 4.723 peak  8841 weight  1.00000E+00 volume  6.46733E+05 ppm1      8.358 ppm2      1.621 !3

ASSI {1651}   (  resid 170  and name  HG2#)   (( resid 172  and name  HN  )) 3.354 1.654 3.524 peak  8844 weight  1.00000E+00 volume  9.46764E+05 ppm1      8.362 ppm2      0.788 !2

ASSI {1652}   (  resid 170  and name  HG1#)   (( resid 172  and name  HN  )) 2.866 1.166 3.616 peak  8846 weight  1.00000E+00 volume  3.54959E+06 ppm1      8.359 ppm2      0.473 !3

ASSI {1653}   (( resid 171  and name  HE22))   (( resid 171  and name  HA  )) 3.354 1.554 1.554 peak  5358 weight  1.00000E+00 volume  3.03161E+05 ppm1      7.107 ppm2      4.760

ASSI {1654}   (( resid 171  and name  HN  ))   (( resid 171  and name  HE22)) 3.446 1.746 2.206 peak  7629 weight  1.00000E+00 volume  2.38212E+05 ppm1      8.547 ppm2      7.091 !1

ASSI {1655}   (( resid 171  and name  HN  ))   (( resid 171  and name  HA  )) 3.09 1.289 1.289 peak  7630 weight  1.00000E+00 volume  5.97162E+05 ppm1      8.533 ppm2      4.750

ASSI {1656}   (( resid 171  and name  HN  ))   (( resid 172  and name  HA  )) 3.2 1.5 2.87 peak  7635 weight  1.00000E+00 volume  4.30678E+05 ppm1      8.540 ppm2      4.565 !2

ASSI {1657}   (( resid 171  and name  HN  ))   (  resid 172  and name  HB# ) 3.332 1.632 2.782 peak  7636 weight  1.00000E+00 volume  3.01942E+05 ppm1      8.539 ppm2      4.200 !2

ASSI {1658}   (( resid 171  and name  HN  ))   (( resid 171  and name  HB2 )) 3.03 1.23 1.23 peak  7640 weight  1.00000E+00 volume  6.82556E+05 ppm1      8.540 ppm2      2.415

ASSI {1659}   (( resid 171  and name  HN  ))   (( resid 172  and name  HN  )) 2.433 0.733 1.733 peak  8798 weight  1.00000E+00 volume  5.22236E+06 ppm1      8.358 ppm2      8.533 !1

ASSI {1660}   (( resid 172  and name  HN  ))   (( resid 171  and name  HA  )) 3.041 1.241 1.241 peak  8817 weight  1.00000E+00 volume  7.18791E+05 ppm1      8.357 ppm2      4.763

ASSI {1661}   (( resid 171  and name  HB2 ))   (( resid 172  and name  HN  )) 2.918 1.119 1.119 peak  8833 weight  1.00000E+00 volume  9.92517E+05 ppm1      8.360 ppm2      2.416

ASSI {1662}   (( resid 171  and name  HN  ))   (( resid 171  and name  HE21)) 3.481 1.681 1.681 peak 10732 weight  1.00000E+00 volume  2.21997E+05 ppm1      8.537 ppm2      7.691

ASSI {1663}   (( resid 172  and name  HN  ))   (( resid 173  and name  HA  )) 3.473 1.773 2.333 peak  8810 weight  1.00000E+00 volume  2.25190E+05 ppm1      8.352 ppm2      6.367 !1

ASSI {1664}   (( resid 172  and name  HN  ))   (( resid 172  and name  HA  )) 2.806 1.006 1.006 peak  8818 weight  1.00000E+00 volume  1.38956E+06 ppm1      8.357 ppm2      4.544

ASSI {1665}   (( resid 172  and name  HN  ))   (  resid 172  and name  HB# ) 2.902 1.102 1.102 peak  8820 weight  1.00000E+00 volume  1.01989E+06 ppm1      8.359 ppm2      4.221

ASSI {1666}   (( resid 173  and name  HN  ))   (( resid 172  and name  HA  )) 2.631 0.8315 0.8315 peak 10333 weight  1.00000E+00 volume  2.53466E+06 ppm1      8.935 ppm2      4.557

ASSI {1667}   (( resid 173  and name  HN  ))   (  resid 172  and name  HB# ) 2.671 0.871 0.871 peak 10335 weight  1.00000E+00 volume  2.13755E+06 ppm1      8.934 ppm2      4.214

ASSI {1668}   (( resid 174  and name  HN  ))   (  resid 173  and name  HE# ) 3.68 1.88 1.88 peak  5661 weight  1.00000E+00 volume  2.77648E+05 ppm1      9.545 ppm2      7.258

ASSI {1669}   (( resid 174  and name  HN  ))   (( resid 173  and name  HA  )) 2.772 0.9725 0.9725 peak  5666 weight  1.00000E+00 volume  1.56115E+06 ppm1      9.533 ppm2      6.367

ASSI {1670}   (( resid 174  and name  HN  ))   (( resid 173  and name  HB1 )) 3.142 1.342 1.342 peak  5675 weight  1.00000E+00 volume  5.19416E+05 ppm1      9.539 ppm2      3.754

ASSI {1671}   (( resid 174  and name  HN  ))   (( resid 173  and name  HB2 )) 2.899 1.099 1.099 peak  5676 weight  1.00000E+00 volume  1.03480E+06 ppm1      9.534 ppm2      3.509

ASSI {1672}   (( resid 173  and name  HN  ))   (( resid 174  and name  HN  )) 3.271 1.47 1.47 peak 10321 weight  1.00000E+00 volume  3.88737E+05 ppm1      8.937 ppm2      9.532

ASSI {1673}   (( resid 173  and name  HN  ))   (  resid 173  and name  HE# ) 3.552 1.752 1.752 peak 10323 weight  1.00000E+00 volume  3.83693E+05 ppm1      8.933 ppm2      7.279

ASSI {1674}   (( resid 173  and name  HN  ))   (  resid 173  and name  HD# ) 3.417 1.617 1.617 peak 10324 weight  1.00000E+00 volume  5.44513E+05 ppm1      8.936 ppm2      6.973

ASSI {1675}   (( resid 173  and name  HN  ))   (( resid 173  and name  HA  )) 3.019 1.219 1.219 peak 10328 weight  1.00000E+00 volume  7.31590E+05 ppm1      8.935 ppm2      6.365

ASSI {1676}   (( resid 173  and name  HN  ))   (( resid 174  and name  HA  )) 2.986 1.286 2.006 peak 10330 weight  1.00000E+00 volume  8.10045E+05 ppm1      8.935 ppm2      5.247 !1

ASSI {1677}   (( resid 174  and name  HN  ))   (( resid 175  and name  HN  )) 3.484 1.683 1.683 peak  5657 weight  1.00000E+00 volume  2.17826E+05 ppm1      9.539 ppm2      8.493

ASSI {1678}   (( resid 174  and name  HN  ))   (  resid 94   and name  HE# ) 3.551 1.851 2.311 peak  5665 weight  1.00000E+00 volume  3.64417E+05 ppm1      9.544 ppm2      6.850 !1

ASSI {1679}   (( resid 174  and name  HN  ))   (( resid 174  and name  HA  )) 3.168 1.369 1.369 peak  5673 weight  1.00000E+00 volume  4.85763E+05 ppm1      9.539 ppm2      5.246

ASSI {1680}   (( resid 174  and name  HN  ))   (( resid 174  and name  HD2 )) 3.429 1.63 1.63 peak  5679 weight  1.00000E+00 volume  2.50408E+05 ppm1      9.536 ppm2      2.382

ASSI {1681}   (( resid 174  and name  HN  ))   (( resid 174  and name  HD1 )) 3.288 1.588 2.138 peak  5681 weight  1.00000E+00 volume  3.54051E+05 ppm1      9.538 ppm2      2.159 !1

ASSI {1682}   (( resid 174  and name  HN  ))   (( resid 174  and name  HB1 )) 3.142 1.342 1.342 peak  5683 weight  1.00000E+00 volume  5.23027E+05 ppm1      9.543 ppm2      1.718

ASSI {1683}   (( resid 174  and name  HN  ))   (( resid 174  and name  HG2 )) 3.211 1.411 1.411 peak  5686 weight  1.00000E+00 volume  4.28386E+05 ppm1      9.538 ppm2      1.292

ASSI {1684}   (( resid 174  and name  HN  ))   (  resid 175  and name  HG# ) 3.331 1.631 3.151 peak  5689 weight  1.00000E+00 volume  3.23640E+05 ppm1      9.541 ppm2      0.537 !1

ASSI {1685}   (( resid 175  and name  HA  ))   (( resid 176  and name  HN  )) 2.845 1.045 1.045 peak  5238 weight  1.00000E+00 volume  1.22031E+06 ppm1      7.875 ppm2      3.565

ASSI {1686}   (( resid 176  and name  HN  ))   (( resid 175  and name  HB1 )) 3.252 1.452 1.452 peak  5247 weight  1.00000E+00 volume  3.92530E+05 ppm1      7.878 ppm2      0.156

ASSI {1687}   (  resid 175  and name  HD# )   (( resid 176  and name  HN  )) 3.652 1.852 1.852 peak  5484 weight  1.00000E+00 volume  1.52940E+05 ppm1      7.871 ppm2      2.809

ASSI {1688}   (( resid 175  and name  HN  ))   (( resid 175  and name  HE  )) 3.084 1.384 2.474 peak  8466 weight  1.00000E+00 volume  5.72309E+05 ppm1      8.480 ppm2      6.744 !2

ASSI {1689}   (( resid 175  and name  HN  ))   (( resid 176  and name  HB  )) 3.229 1.529 4.099 peak  9482 weight  1.00000E+00 volume  3.73802E+05 ppm1      8.491 ppm2      1.630 !2

ASSI {1690}   (( resid 175  and name  HN  ))   (  resid 175  and name  HG# ) 3.139 1.339 1.339 peak  9487 weight  1.00000E+00 volume  5.39605E+05 ppm1      8.487 ppm2      0.547

ASSI {1691}   (( resid 175  and name  HN  ))   (( resid 176  and name  HN  )) 3.656 1.856 1.856 peak  9877 weight  1.00000E+00 volume  1.46507E+05 ppm1      7.867 ppm2      8.476

ASSI {1692}   (( resid 177  and name  HN  ))   (( resid 175  and name  HN  )) 3.241 1.541 5.321 peak 11046 weight  1.00000E+00 volume  3.79639E+05 ppm1      8.477 ppm2      8.057 !3

ASSI {1693}   (( resid 177  and name  HN  ))   (( resid 176  and name  HN  )) 2.928 1.228 2.428 peak  4950 weight  1.00000E+00 volume  9.12083E+05 ppm1      8.075 ppm2      7.882 !2

ASSI {1694}   (( resid 177  and name  HN  ))   (( resid 176  and name  HA  )) 2.624 0.8245 0.8245 peak  4952 weight  1.00000E+00 volume  2.44888E+06 ppm1      8.075 ppm2      4.049

ASSI {1695}   (( resid 177  and name  HN  ))   (( resid 176  and name  HB  )) 3.521 1.721 1.721 peak  4955 weight  1.00000E+00 volume  2.09536E+05 ppm1      8.077 ppm2      1.628

ASSI {1696}   (( resid 176  and name  HG11))   (( resid 177  and name  HN  )) 3.67 1.869 1.869 peak  4956 weight  1.00000E+00 volume  1.49490E+05 ppm1      8.076 ppm2      1.393

ASSI {1697}   (( resid 176  and name  HN  ))   (  resid 94   and name  HE# ) 3.326 1.526 1.526 peak  5231 weight  1.00000E+00 volume  6.38282E+05 ppm1      7.873 ppm2      6.836

ASSI {1698}   (( resid 176  and name  HA  ))   (( resid 176  and name  HN  )) 3.006 1.207 1.207 peak  5237 weight  1.00000E+00 volume  7.67997E+05 ppm1      7.874 ppm2      4.051

ASSI {1699}   (( resid 176  and name  HN  ))   (( resid 176  and name  HB  )) 2.742 0.942 0.942 peak  5240 weight  1.00000E+00 volume  1.74332E+06 ppm1      7.875 ppm2      1.626

ASSI {1700}   (( resid 176  and name  HG11))   (( resid 176  and name  HN  )) 3.003 1.203 1.203 peak  5241 weight  1.00000E+00 volume  7.58672E+05 ppm1      7.879 ppm2      1.385

ASSI {1701}   (  resid 177  and name  HG# )   (( resid 176  and name  HN  )) 3.376 1.576 1.576 peak  5246 weight  1.00000E+00 volume  8.57041E+05 ppm1      7.879 ppm2      0.570

ASSI {1702}   (( resid 177  and name  HN  ))   (( resid 177  and name  HA  )) 2.959 1.159 1.159 peak  4951 weight  1.00000E+00 volume  8.37195E+05 ppm1      8.077 ppm2      4.176

ASSI {1703}   (( resid 177  and name  HN  ))   (  resid 177  and name  HG# ) 2.937 1.137 1.137 peak  4960 weight  1.00000E+00 volume  2.73605E+06 ppm1      8.076 ppm2      0.574

ASSI {1704}   (( resid 177  and name  HN  ))   (( resid 178  and name  HB1 )) 3.333 1.633 3.283 peak  5434 weight  1.00000E+00 volume  3.28099E+05 ppm1      8.080 ppm2      1.850 !2

ASSI {1705}   (( resid 178  and name  HN  ))   (( resid 177  and name  HN  )) 2.583 0.883 1.923 peak  7452 weight  1.00000E+00 volume  2.92807E+06 ppm1      7.917 ppm2      8.065 !1

ASSI {1706}   (( resid 178  and name  HN  ))   (( resid 177  and name  HA  )) 2.373 0.5735 0.5735 peak  7454 weight  1.00000E+00 volume  6.57320E+06 ppm1      7.918 ppm2      4.188

ASSI {1707}   (( resid 178  and name  HN  ))   (  resid 177  and name  HG# ) 2.733 0.933 0.933 peak  7465 weight  1.00000E+00 volume  5.32837E+06 ppm1      7.918 ppm2      0.575

ASSI {1708}   (  resid 177  and name  HG# )   (( resid 94   and name  HN  )) 3.589 1.889 5.779 peak  8111 weight  1.00000E+00 volume  5.14936E+05 ppm1      8.349 ppm2      0.568 !3

ASSI {1709}   (( resid 178  and name  HN  ))   (( resid 178  and name  HA  )) 2.435 0.635 0.635 peak  7455 weight  1.00000E+00 volume  5.09848E+06 ppm1      7.918 ppm2      4.090

ASSI {1710}   (( resid 178  and name  HN  ))   (( resid 178  and name  HB1 )) 2.508 0.708 0.708 peak  7459 weight  1.00000E+00 volume  3.89807E+06 ppm1      7.918 ppm2      1.841

ASSI {1711}   (( resid 178  and name  HN  ))   (( resid 88   and name  HG  )) 3.217 1.417 1.417 peak  7460 weight  1.00000E+00 volume  4.43420E+05 ppm1      7.915 ppm2      1.584
OR {1711}   (( resid 178  and name  HN  ))   (( resid 88   and name  HB1 ))

ASSI {1712}   (  resid 88   and name  HD1#)   (( resid 178  and name  HN  )) 3.152 1.352 1.352 peak  7464 weight  1.00000E+00 volume  1.40867E+06 ppm1      7.919 ppm2      0.712

!ASSI {1713}   (( resid 140  and name  HN  ))   (( resid 149  and name  HG2 )) 3.331 1.631 4.901 peak  8878 weight  1.00000E+00 volume  3.17892E+05 ppm1      8.966 ppm2      2.501 !5

!ASSI {1714}   (( resid 39   and name  HN  ))   (( resid 73   and name  HZ3 )) 2.93 1.23 5.31 peak  7980 weight  1.00000E+00 volume  9.42294E+05 ppm1      8.394 ppm2      6.661 !5

!ASSI {1715}   (  resid 6    and name  HG2#)   (( resid 4    and name  HN  )) 3.802 2.102 4.412 peak  5112 weight  1.00000E+00 volume  3.66272E+05 ppm1      8.227 ppm2      0.984 !4

!ASSI {1716}   (( resid 37   and name  HN  ))   (( resid 81   and name  HA  )) 3.474 1.774 4.825 peak  9017 weight  1.00000E+00 volume  2.26245E+05 ppm1      9.783 ppm2      3.370 !3

!ASSI {1717}   (( resid 142  and name  HN  ))   (( resid 150  and name  HN  )) 3.533 1.833 4.823 peak  9316 weight  1.00000E+00 volume  2.00318E+05 ppm1      8.738 ppm2      8.068 !3

!ASSI {1718}   (( resid 166  and name  HN  ))   (( resid 148  and name  HD2 )) 3.421 1.721 5.151 peak  7819 weight  1.00000E+00 volume  2.52706E+05 ppm1      8.684 ppm2      3.112 !4

!ASSI {1719}   (  resid 58   and name  HE# )   (( resid 77   and name  HN  )) 3.423 1.723 5.133 peak  7227 weight  1.00000E+00 volume  4.97568E+05 ppm1      7.300 ppm2      6.826 !4

!ASSI {1720}   (( resid 79   and name  HN  ))   (( resid 76   and name  HN  )) 3.346 1.646 5.136 peak  7891 weight  1.00000E+00 volume  2.99087E+05 ppm1      7.879 ppm2      7.557 !5

!ASSI {1721}   (( resid 109  and name  HN  ))   (( resid 101  and name  HN  )) 3.392 1.692 4.992 peak  9182 weight  1.00000E+00 volume  2.71260E+05 ppm1      8.218 ppm2      7.876 !3

!ASSI {1722}   (( resid 19   and name  HE  ))   (( resid 21   and name  HN  )) 3.362 1.662 4.852 peak  8226 weight  1.00000E+00 volume  3.12563E+05 ppm1      8.933 ppm2      7.295 !3

!ASSI {1723}   (( resid 9    and name  HN  ))   (( resid 23   and name  HB2 )) 3.408 1.708 5.068 peak  7424 weight  1.00000E+00 volume  2.59917E+05 ppm1      8.360 ppm2      2.445 !4

!ASSI {1724}   (( resid 77   and name  HN  ))   (( resid 51   and name  HG2 )) 3.45 1.75 4.73 peak  7242 weight  1.00000E+00 volume  2.40125E+05 ppm1      7.294 ppm2      1.967 !4

!ASSI {1725}   (( resid 61   and name  HG11))   (( resid 176  and name  HN  )) 3.235 1.535 7.175 peak  5242 weight  1.00000E+00 volume  3.98981E+05 ppm1      7.878 ppm2      1.506 !4

!ASSI {1726}   (( resid 5    and name  HN  ))   (( resid 2    and name  HN  )) 3.449 1.749 4.819 peak  6574 weight  1.00000E+00 volume  2.67216E+05 ppm1      8.316 ppm2      8.707 !4

!ASSI {1727}   (( resid 80   and name  HN  ))   (( resid 52   and name  HG1 )) 3.353 1.653 5.233 peak  7797 weight  1.00000E+00 volume  2.97679E+05 ppm1      7.143 ppm2      1.477 !3

!ASSI {1728}   (( resid 139  and name  HN  ))   (( resid 151  and name  HG  )) 3.401 1.701 5.101 peak  6888 weight  1.00000E+00 volume  2.52421E+05 ppm1      8.959 ppm2      1.349 !4

!ASSI {1729}   (( resid 158  and name  HN  ))   (( resid 163  and name  HE3 )) 3.553 1.853 4.743 peak  4995 weight  1.00000E+00 volume  1.74468E+05 ppm1      8.982 ppm2      7.089 !4

!ASSI {1730}   (( resid 51   and name  HN  ))   (( resid 76   and name  HB1 )) 3.2 1.5 5.381 peak  7522 weight  1.00000E+00 volume  4.34975E+05 ppm1      9.619 ppm2      1.450 !5

!ASSI {1731}   (( resid 138  and name  HN  ))   (( resid 152  and name  HN  )) 3.697 1.997 4.867 peak 11275 weight  1.00000E+00 volume  1.39876E+05 ppm1      9.458 ppm2      9.311 !4

!ASSI {1732}   (( resid 80   and name  HN  ))   (( resid 50   and name  HB1 )) 3.216 1.516 6.127 peak  7788 weight  1.00000E+00 volume  3.99222E+05 ppm1      7.147 ppm2      3.210 !3

!ASSI {1733}   (( resid 171  and name  HN  ))   (  resid 143  and name  HG# ) 3.336 1.636 4.866 peak  7643 weight  1.00000E+00 volume  3.04068E+05 ppm1      8.539 ppm2      2.036 !3

!ASSI {1734}   (( resid 41   and name  HN  ))   (( resid 47   and name  HD1 )) 3.228 1.528 5.278 peak  8516 weight  1.00000E+00 volume  4.17297E+05 ppm1      9.033 ppm2      6.963 !3

!ASSI {1735}   (( resid 78   and name  HN  ))   (  resid 76   and name  HD2#) 3.792 2.092 4.612 peak  5524 weight  1.00000E+00 volume  3.30206E+05 ppm1      7.714 ppm2      0.754 !4

!ASSI {1736}   (( resid 144  and name  HN  ))   (( resid 118  and name  HG11)) 3.333 1.633 5.174 peak  6357 weight  1.00000E+00 volume  3.15327E+05 ppm1      9.675 ppm2      1.502 !5

!ASSI {1737}   (( resid 15   and name  HB2 ))   (( resid 69   and name  HN  )) 3.381 1.681 5.362 peak  7390 weight  1.00000E+00 volume  2.84779E+05 ppm1      6.918 ppm2      2.823 !3

!ASSI {1738}   (( resid 30   and name  HN  ))   (( resid 50   and name  HB1 )) 3.415 1.715 5.755 peak  9350 weight  1.00000E+00 volume  2.50276E+05 ppm1      8.627 ppm2      3.219 !3

!ASSI {1739}   (( resid 39   and name  HN  ))   (( resid 73   and name  HE3 )) 3.521 1.821 5.011 peak  7986 weight  1.00000E+00 volume  2.06621E+05 ppm1      8.398 ppm2      6.404 !3

!ASSI {1740}   (( resid 68   and name  HG2 ))   (( resid 72   and name  HN  )) 2.605 0.905 5.485 peak  8939 weight  1.00000E+00 volume  2.63207E+06 ppm1      8.027 ppm2      1.928 !5

!ASSI {1741}   (( resid 121  and name  HE21))   (( resid 112  and name  HN  )) 3.692 1.992 5.653 peak  5082 weight  1.00000E+00 volume  1.47781E+05 ppm1      8.170 ppm2      7.021 !3

!ASSI {1742}   (( resid 138  and name  HN  ))   (( resid 114  and name  HB2 )) 3.289 1.589 5.999 peak  9115 weight  1.00000E+00 volume  3.31709E+05 ppm1      9.445 ppm2      2.564 !3

!ASSI {1743}   (( resid 129  and name  HN  ))   (( resid 160  and name  HG2 )) 3.192 1.492 5.543 peak  6226 weight  1.00000E+00 volume  4.44338E+05 ppm1      8.014 ppm2      1.759 !3

!ASSI {1744}   (( resid 140  and name  HN  ))   (( resid 150  and name  HA  )) 3.438 1.738 4.988 peak  8869 weight  1.00000E+00 volume  2.35677E+05 ppm1      8.956 ppm2      4.936 !3

!ASSI {1745}   (( resid 6    and name  HN  ))   (( resid 3    and name  HA  )) 2.913 1.213 6.074 peak  8952 weight  1.00000E+00 volume  9.79204E+05 ppm1      8.125 ppm2      4.423 !3

!ASSI {1746}   (( resid 39   and name  HN  ))   (( resid 73   and name  HB2 )) 3.369 1.669 6.259 peak  8004 weight  1.00000E+00 volume  2.73453E+05 ppm1      8.396 ppm2      3.465 !3

!ASSI {1747}   (( resid 39   and name  HN  ))   (  resid 8    and name  HD1#) 4.042 2.342 5.601 peak  8026 weight  1.00000E+00 volume  2.15087E+05 ppm1      8.406 ppm2     -0.093 !3

!ASSI {1748}   (( resid 26   and name  HN  ))   (  resid 6    and name  HG2#) 3.954 2.254 4.194 peak  9647 weight  1.00000E+00 volume  2.42461E+05 ppm1      8.174 ppm2      0.991 !2

!ASSI {1749}   (( resid 56   and name  HN  ))   (  resid 28   and name  HB# ) 3.309 1.609 4.959 peak  5620 weight  1.00000E+00 volume  1.08167E+06 ppm1      6.353 ppm2      1.382 !3

!ASSI {1750}   (( resid 80   and name  HB1 ))   (( resid 31   and name  HN  )) 3.408 1.708 5.288 peak  7969 weight  1.00000E+00 volume  2.64913E+05 ppm1      8.746 ppm2      1.564 !3

!ASSI {1751}   (( resid 37   and name  HN  ))   (  resid 49   and name  HG1#) 3.985 2.285 5.735 peak 11251 weight  1.00000E+00 volume  2.38242E+05 ppm1      9.794 ppm2      1.094 !3

!ASSI {1752}   (( resid 84   and name  HN  ))   (( resid 47   and name  HD1 )) 3.171 1.471 5.181 peak  7870 weight  1.00000E+00 volume  4.76818E+05 ppm1     10.100 ppm2      6.969 !3

!ASSI {1753}   (( resid 57   and name  HN  ))   (( resid 51   and name  HA  )) 3.253 1.553 4.893 peak  7554 weight  1.00000E+00 volume  3.88001E+05 ppm1      8.434 ppm2      4.752 !3

!ASSI {1754}   (( resid 79   and name  HN  ))   (( resid 52   and name  HG1 )) 3.062 1.362 5.272 peak  7919 weight  1.00000E+00 volume  6.43416E+05 ppm1      7.870 ppm2      1.488 !3

!ASSI {1755}   (( resid 73   and name  HN  ))   (( resid 60   and name  HB1 )) 3.099 1.399 5.339 peak  8304 weight  1.00000E+00 volume  5.63918E+05 ppm1      7.279 ppm2      2.338 !3

!ASSI {1756}   (  resid 62   and name  HD1#)   (( resid 86   and name  HN  )) 3.81 2.11 5.28 peak  5478 weight  1.00000E+00 volume  3.16979E+05 ppm1      8.072 ppm2      0.267 !3

!ASSI {1757}   (( resid 80   and name  HN  ))   (( resid 77   and name  HB2 )) 3.216 1.516 6.047 peak  7787 weight  1.00000E+00 volume  3.99222E+05 ppm1      7.149 ppm2      3.263 !3

!ASSI {1758}   (( resid 114  and name  HN  ))   (( resid 112  and name  HB  )) 3.069 1.369 5.308 peak  8332 weight  1.00000E+00 volume  6.40449E+05 ppm1      8.335 ppm2      4.967 !2

!ASSI {1759}   (( resid 113  and name  HN  ))   (( resid 121  and name  HG1 )) 3.078 1.378 7.348 peak  6134 weight  1.00000E+00 volume  5.86104E+05 ppm1      8.446 ppm2      1.178 !3

!ASSI {1760}   (( resid 173  and name  HB1 ))   (( resid 117  and name  HN  )) 3.403 1.703 5.203 peak  9289 weight  1.00000E+00 volume  2.85689E+05 ppm1      7.176 ppm2      3.735 !3

!ASSI {1761}   (( resid 151  and name  HN  ))   (( resid 148  and name  HD1 )) 3.538 1.838 6.938 peak 10774 weight  1.00000E+00 volume  2.03388E+05 ppm1      8.282 ppm2      3.250 !4

!ASSI {1762}   (( resid 46   and name  HN  ))   (  resid 4    and name  HG2#) 3.961 2.261 4.101 peak  8152 weight  1.00000E+00 volume  2.46945E+05 ppm1      8.071 ppm2      1.230 !3

!ASSI {1763}   (( resid 112  and name  HN  ))   (  resid 175  and name  HD# ) 3.624 1.924 4.674 peak  5090 weight  1.00000E+00 volume  1.75277E+05 ppm1      8.165 ppm2      2.786 !3

!ASSI {1764}   (  resid 170  and name  HG1#)   (( resid 173  and name  HN  )) 3.946 2.246 4.306 peak  6542 weight  1.00000E+00 volume  2.38240E+05 ppm1      8.944 ppm2      0.472 !3

!ASSI {1765}   (( resid 122  and name  HB1 ))   (( resid 117  and name  HN  )) 3.083 1.383 6.494 peak  9297 weight  1.00000E+00 volume  6.13145E+05 ppm1      7.176 ppm2      2.376 !3

!ASSI {1766}   (( resid 150  and name  HB1 ))   (( resid 167  and name  HN  )) 3.372 1.672 5.181 peak  9140 weight  1.00000E+00 volume  2.76879E+05 ppm1      7.642 ppm2      3.564 !3

!ASSI {1767}   (( resid 157  and name  HN  ))   (( resid 132  and name  HA  )) 3.429 1.729 4.659 peak  9365 weight  1.00000E+00 volume  2.45391E+05 ppm1      8.152 ppm2      4.170 !3

!ASSI {1768}   (( resid 29   and name  HN  ))   (  resid 26   and name  HB# ) 2.99 1.29 5.39 peak  6082 weight  1.00000E+00 volume  7.62232E+05 ppm1      7.629 ppm2      2.890 !4

!ASSI {1769}   (( resid 42   and name  HN  ))   (  resid 49   and name  HG2#) 3.788 2.088 4.678 peak  5341 weight  1.00000E+00 volume  3.53525E+05 ppm1      9.324 ppm2      0.816 !3

!ASSI {1770}   (( resid 151  and name  HN  ))   (( resid 137  and name  HN  )) 3.451 1.751 4.561 peak 10762 weight  1.00000E+00 volume  2.45283E+05 ppm1      8.281 ppm2      7.899 !3

!ASSI {1771}   (( resid 8    and name  HN  ))   (( resid 10   and name  HB1 )) 3.603 1.903 6.182 peak  7700 weight  1.00000E+00 volume  1.70894E+05 ppm1      8.460 ppm2      2.560 !3

!ASSI {1772}   (( resid 23   and name  HN  ))   (( resid 7    and name  HN  )) 3.032 1.332 5.072 peak  8721 weight  1.00000E+00 volume  6.78637E+05 ppm1      8.745 ppm2      8.590 !3

!ASSI {1773}   (( resid 25   and name  HB1 ))   (( resid 6    and name  HN  )) 3.42 1.72 6.54 peak  8958 weight  1.00000E+00 volume  2.66007E+05 ppm1      8.123 ppm2      3.271 !2

!ASSI {1774}   (( resid 80   and name  HB1 ))   (( resid 51   and name  HN  )) 3.489 1.789 4.548 peak  7521 weight  1.00000E+00 volume  2.14795E+05 ppm1      9.623 ppm2      1.574 !3

!ASSI {1775}   (( resid 71   and name  HN  ))   (( resid 68   and name  HD1 )) 3.291 1.591 6.071 peak  9252 weight  1.00000E+00 volume  3.55785E+05 ppm1      8.524 ppm2      3.937 !3

!ASSI {1776}   (( resid 23   and name  HN  ))   (( resid 10   and name  HB1 )) 3.361 1.661 5.421 peak  8740 weight  1.00000E+00 volume  2.90407E+05 ppm1      8.748 ppm2      2.577 !3

!ASSI {1777}   (( resid 37   and name  HN  ))   (( resid 77   and name  HB1 )) 3.404 1.704 4.984 peak  9018 weight  1.00000E+00 volume  2.54205E+05 ppm1      9.776 ppm2      2.885 !3

!ASSI {1778}   (( resid 113  and name  HA  ))   (( resid 94   and name  HN  )) 2.994 1.294 5.183 peak  8103 weight  1.00000E+00 volume  6.81416E+05 ppm1      8.372 ppm2      4.728 !3

!ASSI {1779}   (( resid 98   and name  HG12))   (( resid 157  and name  HN  )) 3.253 1.553 6.043 peak  9374 weight  1.00000E+00 volume  3.75385E+05 ppm1      8.170 ppm2      1.371 !3

!ASSI {1780}   (( resid 6    and name  HN  ))   (( resid 87   and name  HA  )) 3.297 1.597 4.817 peak  8953 weight  1.00000E+00 volume  3.57451E+05 ppm1      8.128 ppm2      4.662 !2

!ASSI {1781}   (( resid 66   and name  HN  ))   (  resid 72   and name  HD# ) 3.444 1.744 4.693 peak  6602 weight  1.00000E+00 volume  2.33247E+05 ppm1      8.328 ppm2      3.432 !2

!ASSI {1782}   (( resid 173  and name  HN  ))   (( resid 139  and name  HZ  )) 3.391 1.691 4.991 peak  6513 weight  1.00000E+00 volume  2.75558E+05 ppm1      8.939 ppm2      6.272 !2

!ASSI {1783}   (( resid 157  and name  HN  ))   (( resid 155  and name  HN  )) 3.462 1.762 4.572 peak  7445 weight  1.00000E+00 volume  2.40112E+05 ppm1      9.655 ppm2      8.153 !2

!ASSI {1784}   (( resid 62   and name  HB2 ))   (( resid 46   and name  HN  )) 3.117 1.417 5.757 peak  8151 weight  1.00000E+00 volume  5.70491E+05 ppm1      8.072 ppm2      1.344 !3

!ASSI {1785}   (( resid 160  and name  HD2 ))   (( resid 164  and name  HN  )) 3.412 1.712 5.081 peak  6445 weight  1.00000E+00 volume  2.63258E+05 ppm1      7.806 ppm2      3.423 !3

!ASSI {1786}   (( resid 21   and name  HN  ))   (( resid 13   and name  HN  )) 3.402 1.702 4.742 peak  8224 weight  1.00000E+00 volume  2.65030E+05 ppm1      8.931 ppm2      8.054 !3

!ASSI {1787}   (( resid 23   and name  HN  ))   (  resid 34   and name  HD2#) 4.008 2.308 4.148 peak  8748 weight  1.00000E+00 volume  2.17534E+05 ppm1      8.743 ppm2      0.869 !2

!ASSI {1788}   (( resid 41   and name  HN  ))   (  resid 49   and name  HG2#) 3.738 2.038 5.018 peak  8537 weight  1.00000E+00 volume  3.58642E+05 ppm1      9.037 ppm2      0.840 !3

!ASSI {1789}   (( resid 151  and name  HN  ))   (  resid 136  and name  HG2#) 3.729 2.029 4.829 peak 10783 weight  1.00000E+00 volume  3.84434E+05 ppm1      8.282 ppm2      0.894 !2

!ASSI {1790}   (( resid 175  and name  HN  ))   (( resid 138  and name  HG12)) 3.349 1.649 5.419 peak  9483 weight  1.00000E+00 volume  2.71254E+05 ppm1      8.503 ppm2      1.500 !3

!ASSI {1791}   (( resid 19   and name  HN  ))   (  resid 35   and name  HB# ) 3.392 1.692 6.872 peak  6707 weight  1.00000E+00 volume  3.12172E+05 ppm1      8.509 ppm2      3.955 !3

!ASSI {1792}   (( resid 41   and name  HB2 ))   (( resid 23   and name  HN  )) 3.316 1.616 7.256 peak  8744 weight  1.00000E+00 volume  3.21304E+05 ppm1      8.749 ppm2      1.701 !4

!ASSI {1793}   (( resid 50   and name  HN  ))   (( resid 73   and name  HZ2 )) 3.503 1.803 7.603 peak  9519 weight  1.00000E+00 volume  2.19687E+05 ppm1      8.877 ppm2      7.289 !4

!ASSI {1794}   (( resid 52   and name  HN  ))   (( resid 73   and name  HH2 )) 3.337 1.637 7.067 peak  8371 weight  1.00000E+00 volume  3.07637E+05 ppm1      8.267 ppm2      6.674 !3

!ASSI {1795}   (( resid 145  and name  HN  ))   (( resid 118  and name  HG12)) 3.457 1.757 7.177 peak  8690 weight  1.00000E+00 volume  2.26809E+05 ppm1      7.892 ppm2      1.063 !4

!ASSI {1796}   (( resid 171  and name  HN  ))   (( resid 150  and name  HN  )) 3.542 1.842 6.922 peak  9314 weight  1.00000E+00 volume  1.95402E+05 ppm1      8.740 ppm2      8.518 !4

ASSI {0}   (( resid 47   and name  HE1 ))   (  resid 10   and name  HE# ) 3.103 1.403 5.373 peak 10284 weight  1.00000E+00 volume  1.22393E+06 ppm1      9.459 ppm2      7.069 !3

ASSI {1}   (( resid 11   and name  HB2 ))   (( resid 38   and name  HD21)) 3.375 1.675 3.245 peak  5450 weight  1.00000E+00 volume  2.54644E+05 ppm1      8.546 ppm2      3.207 !1

ASSI {2}   (( resid 11   and name  HB2 ))   (( resid 38   and name  HD22)) 3.362 1.662 5.402 peak 11569 weight  1.00000E+00 volume  2.96207E+05 ppm1      8.158 ppm2      3.213 !3

ASSI {3}   (( resid 15   and name  HD22))   (( resid 14   and name  HB2 )) 3.037 1.236 1.236 peak  4931 weight  1.00000E+00 volume  7.11681E+05 ppm1      6.786 ppm2      1.687

ASSI {4}   (( resid 14   and name  HB1 ))   (( resid 38   and name  HD21)) 3.476 1.776 3.196 peak  5039 weight  1.00000E+00 volume  2.20613E+05 ppm1      8.548 ppm2      1.832 !2

ASSI {5}   (( resid 15   and name  HD22))   (  resid 14   and name  HE# ) 3.276 1.476 1.476 peak  5426 weight  1.00000E+00 volume  3.62727E+05 ppm1      6.787 ppm2      2.971

ASSI {6}   (( resid 15   and name  HD22))   (( resid 14   and name  HG1 )) 3.378 1.678 2.078 peak  5427 weight  1.00000E+00 volume  2.87012E+05 ppm1      6.782 ppm2      1.456 !1

ASSI {7}   (( resid 14   and name  HB2 ))   (( resid 17   and name  HE21)) 3.272 1.572 2.013 peak  6766 weight  1.00000E+00 volume  3.44766E+05 ppm1      7.221 ppm2      1.697 !1

ASSI {8}   (( resid 15   and name  HB1 ))   (( resid 15   and name  HD21)) 2.648 0.848 0.848 peak  4892 weight  1.00000E+00 volume  2.38940E+06 ppm1      7.512 ppm2      2.528

ASSI {9}   (( resid 15   and name  HD21))   (( resid 15   and name  HD22)) 2.039 0.239 0.239 peak  4899 weight  1.00000E+00 volume  3.27871E+07 ppm1      7.512 ppm2      6.788

ASSI {10}   (( resid 15   and name  HB2 ))   (( resid 15   and name  HD22)) 2.867 1.067 1.067 peak  4909 weight  1.00000E+00 volume  1.19178E+06 ppm1      6.786 ppm2      2.817

ASSI {11}   (( resid 15   and name  HB1 ))   (( resid 15   and name  HD22)) 2.681 0.981 2.001 peak  4910 weight  1.00000E+00 volume  2.13042E+06 ppm1      6.786 ppm2      2.531 !2

ASSI {12}   (( resid 15   and name  HD22))   (( resid 68   and name  HB2 )) 3.591 1.792 1.792 peak  4930 weight  1.00000E+00 volume  1.78141E+05 ppm1      6.788 ppm2      2.098

ASSI {13}   (( resid 15   and name  HD21))   (( resid 17   and name  HE21)) 2.931 1.231 1.861 peak  5423 weight  1.00000E+00 volume  9.74897E+05 ppm1      7.514 ppm2      7.208 !1

ASSI {14}   (( resid 15   and name  HD22))   (( resid 17   and name  HE21)) 2.699 0.999 2.759 peak  6743 weight  1.00000E+00 volume  2.20980E+06 ppm1      7.212 ppm2      6.799 !2

ASSI {15}   (( resid 17   and name  HE22))   (( resid 15   and name  HD22)) 2.689 0.989 2.469 peak  6744 weight  1.00000E+00 volume  1.90011E+06 ppm1      6.916 ppm2      6.801 !2

ASSI {16}   (( resid 15   and name  HB2 ))   (( resid 17   and name  HE22)) 3.025 1.325 1.725 peak  6750 weight  1.00000E+00 volume  7.65328E+05 ppm1      6.914 ppm2      2.814 !1

ASSI {17}   (( resid 15   and name  HB2 ))   (( resid 17   and name  HE21)) 2.928 1.128 1.128 peak  6751 weight  1.00000E+00 volume  9.53970E+05 ppm1      7.216 ppm2      2.822

ASSI {18}   (( resid 15   and name  HB1 ))   (( resid 17   and name  HE21)) 2.998 1.198 1.198 peak  6754 weight  1.00000E+00 volume  7.99682E+05 ppm1      7.216 ppm2      2.526

ASSI {19}   (( resid 15   and name  HB1 ))   (( resid 17   and name  HE22)) 3.157 1.357 1.357 peak  6755 weight  1.00000E+00 volume  4.96842E+05 ppm1      6.915 ppm2      2.531

ASSI {20}   (( resid 17   and name  HE21))   (( resid 16   and name  HB1 )) 3.261 1.561 4.761 peak  6763 weight  1.00000E+00 volume  3.99097E+05 ppm1      7.218 ppm2      2.013 !3

ASSI {21}   (( resid 17   and name  HE22))   (( resid 17   and name  HE21)) 1.957 0.1565 0.1565 peak  6745 weight  1.00000E+00 volume  5.13175E+07 ppm1      6.915 ppm2      7.211

ASSI {22}   (( resid 17   and name  HB2 ))   (( resid 17   and name  HE22)) 2.607 0.807 0.807 peak  6756 weight  1.00000E+00 volume  2.73229E+06 ppm1      6.916 ppm2      2.290
OR {22}   (( resid 17   and name  HG2 ))   (( resid 17   and name  HE22))

ASSI {23}   (( resid 17   and name  HG1 ))   (( resid 17   and name  HE22)) 2.784 1.084 1.514 peak  6757 weight  1.00000E+00 volume  1.43530E+06 ppm1      6.914 ppm2      2.359 !1

ASSI {24}   (( resid 17   and name  HE22))   (( resid 69   and name  HG1 )) 3.398 1.698 5.858 peak  6762 weight  1.00000E+00 volume  2.48909E+05 ppm1      6.915 ppm2      1.940 !4

ASSI {25}   (( resid 17   and name  HB1 ))   (( resid 17   and name  HE22)) 3.083 1.383 1.873 peak  6764 weight  1.00000E+00 volume  6.00640E+05 ppm1      6.913 ppm2      1.774 !1

ASSI {26}   (( resid 17   and name  HB1 ))   (( resid 17   and name  HE21)) 3.002 1.202 1.202 peak  6765 weight  1.00000E+00 volume  7.77067E+05 ppm1      7.218 ppm2      1.794

ASSI {27}   (( resid 54   and name  HD22))   (  resid 28   and name  HB# ) 3.667 1.967 4.177 peak  8618 weight  1.00000E+00 volume  4.35419E+05 ppm1      6.799 ppm2      1.386 !3

ASSI {28}   (( resid 54   and name  HD21))   (  resid 28   and name  HB# ) 3.885 2.185 3.165 peak  8619 weight  1.00000E+00 volume  2.73614E+05 ppm1      7.381 ppm2      1.388 !2

ASSI {29}   (( resid 36   and name  HE  ))   (( resid 38   and name  HD21)) 3.628 1.928 2.978 peak  5020 weight  1.00000E+00 volume  1.62579E+05 ppm1      8.543 ppm2      6.776 !1

ASSI {30}   (( resid 38   and name  HD22))   (( resid 36   and name  HE  )) 3.843 2.043 2.043 peak 11565 weight  1.00000E+00 volume  1.06756E+05 ppm1      8.157 ppm2      6.780

ASSI {31}   (( resid 38   and name  HD22))   (( resid 36   and name  HB1 )) 3.648 1.848 1.848 peak 11573 weight  1.00000E+00 volume  1.49524E+05 ppm1      8.155 ppm2      2.077

ASSI {32}   (( resid 78   and name  HB1 ))   (( resid 38   and name  HD21)) 3.631 1.931 3.051 peak  5032 weight  1.00000E+00 volume  1.64062E+05 ppm1      8.539 ppm2      2.581 !2

ASSI {33}   (( resid 38   and name  HD22))   (( resid 38   and name  HD21)) 2.835 1.035 1.035 peak 11564 weight  1.00000E+00 volume  1.27775E+06 ppm1      8.157 ppm2      8.537

ASSI {34}   (( resid 38   and name  HD22))   (( resid 78   and name  HB1 )) 3.575 1.776 1.776 peak 11571 weight  1.00000E+00 volume  1.87007E+05 ppm1      8.156 ppm2      2.578

ASSI {35}   (  resid 42   and name  HG2#)   (( resid 64   and name  HE21)) 3.968 2.168 2.168 peak  6016 weight  1.00000E+00 volume  2.37343E+05 ppm1      7.576 ppm2      1.068

ASSI {36}   (( resid 64   and name  HE22))   (( resid 43   and name  HG1 )) 2.965 1.265 3.775 peak  6008 weight  1.00000E+00 volume  7.25065E+05 ppm1      6.916 ppm2      2.167 !3

ASSI {37}   (( resid 64   and name  HE21))   (( resid 43   and name  HG1 )) 2.998 1.298 4.598 peak  6009 weight  1.00000E+00 volume  7.60496E+05 ppm1      7.572 ppm2      2.157 !3

ASSI {38}   (( resid 47   and name  HE1 ))   (( resid 43   and name  HB1 )) 3.495 1.795 4.775 peak  6394 weight  1.00000E+00 volume  2.17097E+05 ppm1      9.462 ppm2      2.068 !3

ASSI {39}   (( resid 44   and name  HA1 ))   (( resid 64   and name  HE21)) 3.083 1.383 3.074 peak  5995 weight  1.00000E+00 volume  6.10975E+05 ppm1      7.571 ppm2      4.089 !2

ASSI {40}   (( resid 64   and name  HE22))   (( resid 44   and name  HA1 )) 3.067 1.367 4.277 peak  5998 weight  1.00000E+00 volume  6.43870E+05 ppm1      6.921 ppm2      4.091 !2

ASSI {41}   (( resid 47   and name  HE1 ))   (( resid 45   and name  HA1 )) 3.134 1.434 3.254 peak  6389 weight  1.00000E+00 volume  5.52156E+05 ppm1      9.455 ppm2      3.838 !2

ASSI {42}   (( resid 47   and name  HE1 ))   (( resid 47   and name  HB1 )) 3.561 1.761 1.761 peak  6390 weight  1.00000E+00 volume  1.84942E+05 ppm1      9.472 ppm2      2.910

ASSI {43}   (( resid 7    and name  HE1 ))   (( resid 47   and name  HE1 )) 3.457 1.757 3.587 peak  6391 weight  1.00000E+00 volume  2.76351E+05 ppm1      9.463 ppm2      2.692 !2

ASSI {44}   (( resid 47   and name  HE1 ))   (( resid 7    and name  HD2 )) 3.371 1.671 3.911 peak  6397 weight  1.00000E+00 volume  2.95780E+05 ppm1      9.454 ppm2      1.489 !3

ASSI {45}   (( resid 47   and name  HE1 ))   (( resid 7    and name  HG1 )) 3.321 1.521 1.521 peak  6398 weight  1.00000E+00 volume  3.40783E+05 ppm1      9.455 ppm2      1.213

ASSI {46}   (( resid 47   and name  HE1 ))   (  resid 6    and name  HG2#) 3.168 1.368 1.368 peak  6399 weight  1.00000E+00 volume  1.46083E+06 ppm1      9.462 ppm2      0.992

ASSI {47}   (  resid 9    and name  HG2#)   (( resid 47   and name  HE1 )) 4.155 2.455 4.376 peak  6403 weight  1.00000E+00 volume  1.76630E+05 ppm1      9.449 ppm2      0.542 !2

ASSI {48}   (  resid 85   and name  HB# )   (( resid 47   and name  HE1 )) 3.889 2.089 2.089 peak  6404 weight  1.00000E+00 volume  2.79025E+05 ppm1      9.459 ppm2      0.131

ASSI {49}   (( resid 47   and name  HE1 ))   (  resid 8    and name  HD1#) 3.823 2.023 2.023 peak  6405 weight  1.00000E+00 volume  3.28182E+05 ppm1      9.463 ppm2     -0.087

ASSI {50}   (( resid 47   and name  HE1 ))   (( resid 8    and name  HB  )) 3.252 1.452 1.452 peak  6406 weight  1.00000E+00 volume  3.97262E+05 ppm1      9.459 ppm2     -0.386

ASSI {51}   (( resid 47   and name  HE1 ))   (  resid 8    and name  HG2#) 3.78 1.98 1.98 peak  6407 weight  1.00000E+00 volume  3.58407E+05 ppm1      9.464 ppm2     -0.551

ASSI {52}   (( resid 8    and name  HG12))   (( resid 47   and name  HE1 )) 3.615 1.915 2.656 peak  6408 weight  1.00000E+00 volume  1.64515E+05 ppm1      9.467 ppm2     -0.765 !1

ASSI {53}   (( resid 53   and name  HB2 ))   (( resid 54   and name  HD21)) 3.376 1.576 1.576 peak  8614 weight  1.00000E+00 volume  2.79822E+05 ppm1      7.386 ppm2      2.151

ASSI {54}   (( resid 53   and name  HB1 ))   (( resid 54   and name  HD21)) 3.231 1.531 2.591 peak  8615 weight  1.00000E+00 volume  4.02757E+05 ppm1      7.384 ppm2      1.606 !1

ASSI {55}   (( resid 81   and name  HB1 ))   (( resid 54   and name  HD21)) 3.492 1.792 5.292 peak  8605 weight  1.00000E+00 volume  2.25735E+05 ppm1      7.372 ppm2      2.983 !3

ASSI {56}   (( resid 54   and name  HD22))   (( resid 54   and name  HB1 )) 2.643 0.943 2.314 peak  8607 weight  1.00000E+00 volume  2.38473E+06 ppm1      6.797 ppm2      2.663 !2

ASSI {57}   (( resid 54   and name  HD22))   (( resid 54   and name  HB2 )) 2.843 1.143 1.463 peak  8608 weight  1.00000E+00 volume  1.19554E+06 ppm1      6.800 ppm2      2.727 !1

ASSI {58}   (( resid 54   and name  HB2 ))   (( resid 54   and name  HD21)) 2.78 0.98 0.98 peak  8609 weight  1.00000E+00 volume  1.42157E+06 ppm1      7.388 ppm2      2.726

ASSI {59}   (  resid 56   and name  HB# )   (( resid 54   and name  HD21)) 4.096 2.396 3.266 peak  8620 weight  1.00000E+00 volume  1.90818E+05 ppm1      7.387 ppm2      1.252 !1

ASSI {60}   (( resid 64   and name  HE21))   (( resid 63   and name  HB1 )) 2.992 1.292 5.632 peak  6010 weight  1.00000E+00 volume  7.70214E+05 ppm1      7.570 ppm2      2.096 !2

ASSI {61}   (( resid 64   and name  HE22))   (( resid 64   and name  HE21)) 1.962 0.262 1.042 peak  5977 weight  1.00000E+00 volume  5.08473E+07 ppm1      7.573 ppm2      6.913 !1

ASSI {62}   (( resid 64   and name  HE22))   (( resid 65   and name  HA2 )) 3.154 1.353 1.353 peak  6000 weight  1.00000E+00 volume  4.46372E+05 ppm1      6.916 ppm2      3.875

ASSI {63}   (( resid 64   and name  HE21))   (( resid 65   and name  HA2 )) 3.301 1.501 1.501 peak  6001 weight  1.00000E+00 volume  3.39399E+05 ppm1      7.574 ppm2      3.891

ASSI {64}   (( resid 64   and name  HG2 ))   (( resid 64   and name  HE21)) 2.592 0.792 0.792 peak  6005 weight  1.00000E+00 volume  2.89728E+06 ppm1      7.572 ppm2      2.313

ASSI {65}   (( resid 64   and name  HE22))   (( resid 64   and name  HG2 )) 2.708 0.908 0.908 peak  6006 weight  1.00000E+00 volume  1.86974E+06 ppm1      6.922 ppm2      2.316

ASSI {66}   (( resid 71   and name  HE22))   (  resid 70   and name  HE# ) 3.603 1.803 1.803 peak  6032 weight  1.00000E+00 volume  3.45165E+05 ppm1      6.216 ppm2      6.538

ASSI {67}   (( resid 71   and name  HE21))   (  resid 70   and name  HE# ) 3.668 1.968 2.628 peak 10164 weight  1.00000E+00 volume  2.92946E+05 ppm1      7.169 ppm2      6.529 !1

ASSI {68}   (( resid 71   and name  HE22))   (( resid 71   and name  HE21)) 2.115 0.3145 0.3145 peak  6031 weight  1.00000E+00 volume  2.13731E+07 ppm1      7.176 ppm2      6.212

ASSI {69}   (( resid 71   and name  HE22))   (( resid 71   and name  HG2 )) 2.736 1.036 1.607 peak  6041 weight  1.00000E+00 volume  1.74817E+06 ppm1      6.215 ppm2      2.095 !1

ASSI {70}   (( resid 73   and name  HB2 ))   (( resid 73   and name  HE1 )) 3.494 1.694 1.694 peak  6633 weight  1.00000E+00 volume  2.25478E+05 ppm1      9.964 ppm2      3.462

ASSI {71}   (( resid 77   and name  HD21))   (( resid 76   and name  HB2 )) 3.465 1.765 3.685 peak  5186 weight  1.00000E+00 volume  2.23027E+05 ppm1      7.860 ppm2      1.307 !3

ASSI {72}   (( resid 77   and name  HD22))   (( resid 76   and name  HB1 )) 3.52 1.82 4.94 peak  5471 weight  1.00000E+00 volume  1.91251E+05 ppm1      7.216 ppm2      1.435 !1

ASSI {73}   (( resid 77   and name  HD22))   (( resid 77   and name  HD21)) 2.557 0.757 0.757 peak  5161 weight  1.00000E+00 volume  3.16368E+06 ppm1      7.855 ppm2      7.206

ASSI {74}   (( resid 77   and name  HD22))   (( resid 77   and name  HB2 )) 3.023 1.223 1.223 peak  5174 weight  1.00000E+00 volume  7.21176E+05 ppm1      7.213 ppm2      3.274

ASSI {75}   (( resid 77   and name  HB2 ))   (( resid 77   and name  HD21)) 3.065 1.265 1.265 peak  5175 weight  1.00000E+00 volume  6.06010E+05 ppm1      7.859 ppm2      3.266

ASSI {76}   (( resid 77   and name  HD22))   (( resid 79   and name  HD1 )) 3.411 1.711 3.321 peak  5177 weight  1.00000E+00 volume  2.57035E+05 ppm1      7.216 ppm2      3.179 !2

ASSI {77}   (( resid 77   and name  HD22))   (( resid 77   and name  HB1 )) 3.123 1.324 1.324 peak  5178 weight  1.00000E+00 volume  5.45652E+05 ppm1      7.213 ppm2      2.857

ASSI {78}   (( resid 77   and name  HD22))   (  resid 79   and name  HG# ) 3.462 1.762 2.742 peak  5182 weight  1.00000E+00 volume  2.31634E+05 ppm1      7.213 ppm2      1.617 !2

ASSI {79}   (( resid 77   and name  HD22))   (( resid 79   and name  HB1 )) 3.455 1.755 2.765 peak  5470 weight  1.00000E+00 volume  2.20753E+05 ppm1      7.214 ppm2      1.823 !2

ASSI {80}   (( resid 93   and name  HE21))   (( resid 93   and name  HE22)) 1.886 0.086 0.086 peak  4898 weight  1.00000E+00 volume  8.18122E+07 ppm1      7.515 ppm2      6.872

ASSI {81}   (( resid 93   and name  HE21))   (  resid 94   and name  HD# ) 3.054 1.354 3.124 peak  4900 weight  1.00000E+00 volume  1.42704E+06 ppm1      7.515 ppm2      6.651 !2

ASSI {82}   (( resid 93   and name  HE22))   (( resid 93   and name  HG2 )) 2.883 1.183 2.033 peak  4911 weight  1.00000E+00 volume  1.09927E+06 ppm1      6.873 ppm2      2.299 !1

ASSI {83}   (( resid 93   and name  HE21))   (( resid 93   and name  HG2 )) 2.817 1.017 1.017 peak  4914 weight  1.00000E+00 volume  1.31912E+06 ppm1      7.518 ppm2      2.308

ASSI {84}   (( resid 93   and name  HE21))   (( resid 93   and name  HG1 )) 2.586 0.786 0.786 peak  4915 weight  1.00000E+00 volume  2.97699E+06 ppm1      7.515 ppm2      2.256

ASSI {85}   (( resid 93   and name  HE22))   (( resid 93   and name  HB2 )) 3.451 1.651 1.651 peak  4919 weight  1.00000E+00 volume  2.29150E+05 ppm1      6.872 ppm2      1.954

ASSI {86}   (( resid 93   and name  HE22))   (( resid 93   and name  HB1 )) 3.471 1.671 1.671 peak  4920 weight  1.00000E+00 volume  2.29174E+05 ppm1      6.879 ppm2      1.778

ASSI {87}   (( resid 97   and name  HE22))   (  resid 99   and name  HE# ) 2.798 1.098 1.838 peak  5823 weight  1.00000E+00 volume  2.80330E+06 ppm1      6.401 ppm2      6.398 !1

ASSI {88}   (( resid 97   and name  HE22))   (( resid 97   and name  HE21)) 2.637 0.8375 0.8375 peak  5825 weight  1.00000E+00 volume  2.40620E+06 ppm1      6.401 ppm2      7.902

ASSI {89}   (( resid 97   and name  HE22))   (( resid 97   and name  HG1 )) 3.096 1.296 1.296 peak  5829 weight  1.00000E+00 volume  5.79842E+05 ppm1      6.407 ppm2      2.170

ASSI {90}   (( resid 107  and name  HE21))   (  resid 109  and name  HE# ) 2.053 0.353 1.553 peak  5275 weight  1.00000E+00 volume  6.52108E+07 ppm1      6.924 ppm2      6.921 !1

ASSI {91}   (( resid 107  and name  HE21))   (( resid 107  and name  HB2 )) 3.096 1.296 1.296 peak  5283 weight  1.00000E+00 volume  5.72906E+05 ppm1      6.920 ppm2      2.064

ASSI {92}   (( resid 107  and name  HE21))   (( resid 107  and name  HB1 )) 2.509 0.7085 0.7085 peak  5285 weight  1.00000E+00 volume  3.89115E+06 ppm1      6.921 ppm2      1.847
OR {92}   (( resid 107  and name  HE21))   (( resid 107  and name  HG1 ))

ASSI {93}   (( resid 107  and name  HE21))   (  resid 108  and name  HB# ) 3.162 1.462 1.891 peak  5287 weight  1.00000E+00 volume  4.87819E+05 ppm1      6.921 ppm2      1.518 !1

ASSI {94}   (( resid 107  and name  HE21))   (( resid 108  and name  HG1 )) 3.373 1.673 3.563 peak  5288 weight  1.00000E+00 volume  2.94870E+05 ppm1      6.918 ppm2      1.397 !2

ASSI {95}   (( resid 97   and name  HE22))   (  resid 108  and name  HE# ) 3.556 1.756 1.756 peak  5833 weight  1.00000E+00 volume  5.66662E+05 ppm1      6.402 ppm2      1.785

ASSI {96}   (( resid 121  and name  HE22))   (( resid 111  and name  HB  )) 3.291 1.491 1.491 peak  6779 weight  1.00000E+00 volume  3.78338E+05 ppm1      6.807 ppm2      4.407

ASSI {97}   (( resid 93   and name  HE22))   (  resid 112  and name  HG2#) 3.926 2.126 2.126 peak  4924 weight  1.00000E+00 volume  2.84037E+05 ppm1      6.878 ppm2      1.493

ASSI {98}   (( resid 93   and name  HE22))   (( resid 112  and name  HB  )) 3.527 1.727 1.727 peak  5412 weight  1.00000E+00 volume  2.19846E+05 ppm1      6.872 ppm2      4.950

ASSI {99}   (( resid 113  and name  HB2 ))   (( resid 121  and name  HE22)) 3.293 1.593 3.523 peak  6790 weight  1.00000E+00 volume  3.57476E+05 ppm1      6.803 ppm2      1.921 !2

ASSI {100}   (( resid 121  and name  HE21))   (( resid 113  and name  HB2 )) 3.304 1.604 4.094 peak  6792 weight  1.00000E+00 volume  3.40357E+05 ppm1      7.050 ppm2      1.923 !3

ASSI {101}   (( resid 121  and name  HE22))   (( resid 116  and name  HD1 )) 3.343 1.643 4.513 peak  6784 weight  1.00000E+00 volume  3.26810E+05 ppm1      6.801 ppm2      3.473 !3

ASSI {102}   (  resid 118  and name  HD1#)   (( resid 171  and name  HE22)) 4.21 2.409 2.409 peak  5384 weight  1.00000E+00 volume  1.75129E+05 ppm1      7.107 ppm2      0.649

ASSI {103}   (( resid 137  and name  HE1 ))   (( resid 118  and name  HG11)) 3.421 1.721 4.501 peak  5843 weight  1.00000E+00 volume  2.49248E+05 ppm1      9.057 ppm2      1.520 !4

ASSI {104}   (( resid 121  and name  HE21))   (( resid 121  and name  HE22)) 1.969 0.169 0.169 peak  6767 weight  1.00000E+00 volume  4.86672E+07 ppm1      7.049 ppm2      6.799

ASSI {105}   (( resid 121  and name  HE21))   (  resid 122  and name  HD# ) 3.362 1.562 1.562 peak  6769 weight  1.00000E+00 volume  6.10305E+05 ppm1      7.051 ppm2      6.566

ASSI {106}   (( resid 121  and name  HE22))   (( resid 121  and name  HG1 )) 2.715 1.015 1.524 peak  6799 weight  1.00000E+00 volume  2.00389E+06 ppm1      6.801 ppm2      1.169 !1

ASSI {107}   (( resid 121  and name  HE21))   (( resid 121  and name  HG1 )) 2.642 0.842 0.842 peak  6800 weight  1.00000E+00 volume  2.44195E+06 ppm1      7.049 ppm2      1.172

ASSI {108}   (( resid 121  and name  HE21))   (( resid 121  and name  HB1 )) 3.342 1.542 1.542 peak  6802 weight  1.00000E+00 volume  3.19654E+05 ppm1      7.048 ppm2      0.879

ASSI {109}   (( resid 121  and name  HE22))   (( resid 121  and name  HB1 )) 3.361 1.561 1.561 peak  6804 weight  1.00000E+00 volume  2.77211E+05 ppm1      6.804 ppm2      0.876

ASSI {110}   (( resid 121  and name  HE22))   (  resid 96   and name  HG2#) 4.091 2.292 2.292 peak  6806 weight  1.00000E+00 volume  1.87418E+05 ppm1      6.809 ppm2     -0.430

ASSI {111}   (( resid 124  and name  HB1 ))   (( resid 171  and name  HE22)) 3.269 1.569 3.509 peak  5520 weight  1.00000E+00 volume  3.72275E+05 ppm1      7.109 ppm2      2.188 !2

ASSI {112}   (( resid 127  and name  HG11))   (( resid 137  and name  HE1 )) 3.088 1.388 5.768 peak  5844 weight  1.00000E+00 volume  5.66903E+05 ppm1      9.063 ppm2      0.847 !2

ASSI {113}   (( resid 97   and name  HE21))   (  resid 133  and name  HD# ) 3.295 1.595 3.384 peak  5836 weight  1.00000E+00 volume  1.07642E+06 ppm1      7.903 ppm2      0.749 !2

ASSI {114}   (( resid 97   and name  HE22))   (  resid 133  and name  HD# ) 3.534 1.834 4.384 peak  5837 weight  1.00000E+00 volume  5.90549E+05 ppm1      6.404 ppm2      0.744 !3

ASSI {115}   (( resid 163  and name  HE1 ))   (( resid 139  and name  HB1 )) 3.409 1.709 3.089 peak  6301 weight  1.00000E+00 volume  2.60562E+05 ppm1      9.765 ppm2      2.987 !2

ASSI {116}   (( resid 149  and name  HE21))   (  resid 140  and name  HD# ) 3.736 1.936 1.936 peak  5911 weight  1.00000E+00 volume  2.55121E+05 ppm1      8.273 ppm2      7.114

ASSI {117}   (  resid 140  and name  HD# )   (( resid 149  and name  HE22)) 4.011 2.212 2.212 peak  5913 weight  1.00000E+00 volume  1.48812E+05 ppm1      7.893 ppm2      7.130

ASSI {118}   (( resid 171  and name  HE22))   (  resid 142  and name  HD2#) 3.506 1.806 4.927 peak  5383 weight  1.00000E+00 volume  6.22598E+05 ppm1      7.108 ppm2      0.976 !2

ASSI {119}   (( resid 171  and name  HE22))   (( resid 143  and name  HD1 )) 3.319 1.619 2.648 peak  5517 weight  1.00000E+00 volume  3.29047E+05 ppm1      7.109 ppm2      3.615 !1

ASSI {120}   (( resid 143  and name  HB2 ))   (( resid 144  and name  HD21)) 3.142 1.342 1.342 peak  6152 weight  1.00000E+00 volume  5.16432E+05 ppm1      7.385 ppm2      2.439

ASSI {121}   (( resid 144  and name  HD21))   (  resid 143  and name  HG# ) 3.262 1.462 1.462 peak  6154 weight  1.00000E+00 volume  3.88129E+05 ppm1      7.389 ppm2      2.040

ASSI {122}   (( resid 143  and name  HB1 ))   (( resid 144  and name  HD21)) 3.009 1.309 1.719 peak  6155 weight  1.00000E+00 volume  7.48772E+05 ppm1      7.389 ppm2      1.831 !1

ASSI {123}   (( resid 143  and name  HB1 ))   (( resid 144  and name  HD22)) 2.982 1.182 1.182 peak  6158 weight  1.00000E+00 volume  8.02628E+05 ppm1      6.762 ppm2      1.817

ASSI {124}   (( resid 144  and name  HD22))   (( resid 144  and name  HB2 )) 2.877 1.077 1.077 peak  6148 weight  1.00000E+00 volume  1.14369E+06 ppm1      6.761 ppm2      2.708

ASSI {125}   (( resid 144  and name  HB1 ))   (( resid 144  and name  HD21)) 2.653 0.853 0.853 peak  6151 weight  1.00000E+00 volume  2.29939E+06 ppm1      7.387 ppm2      2.558

ASSI {126}   (( resid 144  and name  HB2 ))   (( resid 144  and name  HD21)) 2.799 0.9985 0.9985 peak  6153 weight  1.00000E+00 volume  1.38161E+06 ppm1      7.389 ppm2      2.712

ASSI {127}   (( resid 144  and name  HD22))   (( resid 146  and name  HB2 )) 3.385 1.685 3.105 peak  6160 weight  1.00000E+00 volume  2.97846E+05 ppm1      6.768 ppm2      1.584 !2

ASSI {128}   (( resid 144  and name  HD22))   (( resid 144  and name  HD21)) 2.049 0.349 1.029 peak 10199 weight  1.00000E+00 volume  3.08106E+07 ppm1      7.387 ppm2      6.757 !1

ASSI {129}   (( resid 144  and name  HD22))   (( resid 144  and name  HB1 )) 2.703 1.003 1.593 peak 10204 weight  1.00000E+00 volume  1.94334E+06 ppm1      6.760 ppm2      2.558 !1

ASSI {130}   (( resid 149  and name  HE21))   (( resid 149  and name  HE22)) 2.905 1.105 1.105 peak  5909 weight  1.00000E+00 volume  9.84969E+05 ppm1      7.890 ppm2      8.256

ASSI {131}   (( resid 60   and name  HB2 ))   (( resid 149  and name  HE22)) 3.405 1.605 1.605 peak  5916 weight  1.00000E+00 volume  2.70833E+05 ppm1      7.881 ppm2      3.211

ASSI {132}   (( resid 149  and name  HE21))   (( resid 149  and name  HG2 )) 3.36 1.56 1.56 peak  5919 weight  1.00000E+00 volume  2.81245E+05 ppm1      8.266 ppm2      2.497

ASSI {133}   (( resid 149  and name  HG2 ))   (( resid 149  and name  HE22)) 3.186 1.386 1.386 peak  5920 weight  1.00000E+00 volume  4.50454E+05 ppm1      7.892 ppm2      2.501

ASSI {134}   (( resid 74   and name  HG2 ))   (( resid 149  and name  HE22)) 3.752 1.952 1.952 peak  5921 weight  1.00000E+00 volume  1.04864E+05 ppm1      7.892 ppm2      2.617

ASSI {135}   (( resid 149  and name  HE21))   (( resid 61   and name  HG11)) 3.53 1.83 4.44 peak  5928 weight  1.00000E+00 volume  1.85539E+05 ppm1      8.268 ppm2      1.525 !3

ASSI {136}   (  resid 150  and name  HE# )   (( resid 163  and name  HE1 )) 3.646 1.845 1.845 peak  6285 weight  1.00000E+00 volume  2.97531E+05 ppm1      9.760 ppm2      6.701

ASSI {137}   (( resid 150  and name  HB1 ))   (( resid 163  and name  HE1 )) 3.364 1.664 4.023 peak  6297 weight  1.00000E+00 volume  2.84196E+05 ppm1      9.761 ppm2      3.572 !4

ASSI {138}   (( resid 163  and name  HE1 ))   (( resid 160  and name  HB1 )) 3.026 1.326 1.736 peak  6305 weight  1.00000E+00 volume  7.26656E+05 ppm1      9.771 ppm2      1.032 !1

ASSI {139}   (( resid 163  and name  HE1 ))   (( resid 163  and name  HZ2 )) 2.845 1.045 1.045 peak  6283 weight  1.00000E+00 volume  1.21570E+06 ppm1      9.767 ppm2      7.268

ASSI {140}   (( resid 163  and name  HE1 ))   (( resid 163  and name  HD1 )) 2.733 0.9335 0.9335 peak  6288 weight  1.00000E+00 volume  1.76488E+06 ppm1      9.767 ppm2      6.204

ASSI {141}   (( resid 163  and name  HZ3 ))   (( resid 163  and name  HE1 )) 3.207 1.507 2.706 peak  6289 weight  1.00000E+00 volume  4.28598E+05 ppm1      9.766 ppm2      6.479 !1

ASSI {142}   (( resid 163  and name  HE1 ))   (( resid 167  and name  HB1 )) 3.463 1.763 3.553 peak  6295 weight  1.00000E+00 volume  2.29718E+05 ppm1      9.769 ppm2      4.157 !2

ASSI {143}   (( resid 163  and name  HE1 ))   (( resid 168  and name  HD2 )) 3.45 1.75 4.531 peak  6298 weight  1.00000E+00 volume  2.42710E+05 ppm1      9.769 ppm2      3.718 !3

ASSI {144}   (  resid 170  and name  HG1#)   (( resid 163  and name  HE1 )) 3.697 1.897 1.897 peak  6308 weight  1.00000E+00 volume  4.06451E+05 ppm1      9.765 ppm2      0.471

ASSI {145}   (( resid 171  and name  HE22))   (( resid 171  and name  HE21)) 2.314 0.514 0.514 peak  5349 weight  1.00000E+00 volume  8.60198E+06 ppm1      7.107 ppm2      7.703

ASSI {146}   (( resid 171  and name  HG1 ))   (( resid 171  and name  HE22)) 2.987 1.187 1.187 peak  5370 weight  1.00000E+00 volume  8.20377E+05 ppm1      7.106 ppm2      2.535

!ASSI {147}   (( resid 70   and name  HB2 ))   (( resid 71   and name  HE22)) 3.41 1.71 5.51 peak  6042 weight  1.00000E+00 volume  2.64638E+05 ppm1      6.211 ppm2      2.207 !3

!ASSI {148}   (( resid 77   and name  HD21))   (  resid 70   and name  HD# ) 4.095 2.395 3.964 peak  5171 weight  1.00000E+00 volume  1.33304E+05 ppm1      7.866 ppm2      6.582 !3

!ASSI {149}   (( resid 17   and name  HE22))   (( resid 68   and name  HB1 )) 3.307 1.607 5.367 peak  6761 weight  1.00000E+00 volume  3.27371E+05 ppm1      6.914 ppm2      2.150 !3

!ASSI {150}   (( resid 36   and name  HG2 ))   (( resid 77   and name  HD21)) 3.496 1.796 4.686 peak  5185 weight  1.00000E+00 volume  2.03296E+05 ppm1      7.867 ppm2      1.538 !4

!ASSI {151}   (( resid 171  and name  HE22))   (( resid 128  and name  HE1 )) 3.449 1.749 6.409 peak  5511 weight  1.00000E+00 volume  2.36012E+05 ppm1      7.114 ppm2      8.558 !4

!ASSI {152}   (( resid 64   and name  HE22))   (( resid 41   and name  HD2 )) 3.357 1.657 5.597 peak  6015 weight  1.00000E+00 volume  3.09091E+05 ppm1      6.920 ppm2      1.333 !3

!ASSI {153}   (( resid 97   and name  HE22))   (( resid 156  and name  HG2 )) 3.22 1.52 5.12 peak  5828 weight  1.00000E+00 volume  4.31770E+05 ppm1      6.410 ppm2      2.044 !3

!ASSI {154}   (( resid 149  and name  HE21))   (  resid 142  and name  HD1#) 4.045 2.345 5.355 peak  5931 weight  1.00000E+00 volume  1.94418E+05 ppm1      8.261 ppm2      0.893 !2

!ASSI {155}   (( resid 77   and name  HD22))   (  resid 76   and name  HD1#) 4.088 2.388 4.608 peak  5472 weight  1.00000E+00 volume  1.81404E+05 ppm1      7.201 ppm2      0.596 !2

!ASSI {156}   (( resid 54   and name  HD22))   (  resid 84   and name  HD# ) 3.468 1.768 7.008 peak  8612 weight  1.00000E+00 volume  2.30450E+05 ppm1      6.796 ppm2      2.378 !3

ASSI {0}   (( resid 5    and name  HN  ))   (( resid 6    and name  HA  )) 2.627 0.927 3.727 peak   514 weight  1.00000E+00 volume  1.05656E+06 ppm1      8.312 ppm2      4.495 !3

ASSI {1}   (( resid 7    and name  HN  ))   (( resid 8    and name  HB  )) 2.971 1.271 2.531 peak   708 weight  1.00000E+00 volume  3.32093E+05 ppm1      8.581 ppm2     -0.339 !2

ASSI {2}   (( resid 11   and name  HN  ))   (( resid 10   and name  HN  )) 2.919 1.219 1.689 peak   142 weight  1.00000E+00 volume  3.75594E+05 ppm1      9.018 ppm2      8.731 !1

ASSI {3}   (  resid 10   and name  HD# )   (( resid 41   and name  HN  )) 3.223 1.523 2.753 peak  1194 weight  1.00000E+00 volume  3.29313E+05 ppm1      9.041 ppm2      6.591 !1

ASSI {4}   (( resid 21   and name  HN  ))   (( resid 11   and name  HN  )) 3.088 1.388 2.418 peak    18 weight  1.00000E+00 volume  2.51669E+05 ppm1      9.014 ppm2      8.891 !1

ASSI {5}   (( resid 11   and name  HN  ))   (( resid 16   and name  HB2 )) 2.885 1.185 4.925 peak   145 weight  1.00000E+00 volume  4.36771E+05 ppm1      9.017 ppm2      2.924 !2

ASSI {6}   (( resid 15   and name  HN  ))   (( resid 11   and name  HB1 )) 3.102 1.402 3.252 peak   650 weight  1.00000E+00 volume  2.42067E+05 ppm1      9.281 ppm2      3.428 !2

ASSI {7}   (( resid 16   and name  HN  ))   (  resid 11   and name  HE# ) 3.288 1.588 2.248 peak   756 weight  1.00000E+00 volume  2.95016E+05 ppm1      8.001 ppm2      7.014 !1

ASSI {8}   (( resid 40   and name  HN  ))   (( resid 11   and name  HN  )) 3.033 1.333 2.393 peak   857 weight  1.00000E+00 volume  2.78971E+05 ppm1      9.096 ppm2      8.981 !2

ASSI {9}   (( resid 40   and name  HN  ))   (( resid 11   and name  HA  )) 3.147 1.447 4.737 peak   861 weight  1.00000E+00 volume  2.13211E+05 ppm1      9.103 ppm2      5.494 !3

ASSI {10}   (( resid 11   and name  HN  ))   (( resid 12   and name  HN  )) 2.961 1.261 1.721 peak  1311 weight  1.00000E+00 volume  3.46570E+05 ppm1      9.204 ppm2      9.063 !1

ASSI {11}   (( resid 20   and name  HN  ))   (( resid 11   and name  HA  )) 3.042 1.342 2.642 peak  1574 weight  1.00000E+00 volume  2.85207E+05 ppm1      8.190 ppm2      5.459 !2

ASSI {12}   (( resid 35   and name  HN  ))   (( resid 12   and name  HA  )) 2.771 1.071 2.751 peak   327 weight  1.00000E+00 volume  6.46365E+05 ppm1      9.606 ppm2      4.731 !2

ASSI {13}   (( resid 15   and name  HN  ))   (( resid 13   and name  HA  )) 3.134 1.434 3.434 peak   647 weight  1.00000E+00 volume  2.04652E+05 ppm1      9.260 ppm2      5.437 !2

ASSI {14}   (( resid 14   and name  HN  ))   (( resid 15   and name  HD22)) 3.253 1.553 2.873 peak    11 weight  1.00000E+00 volume  1.69542E+05 ppm1      6.759 ppm2      8.576 !2

ASSI {15}   (( resid 70   and name  HN  ))   (  resid 14   and name  HE# ) 3.135 1.435 2.745 peak   470 weight  1.00000E+00 volume  2.00215E+05 ppm1      8.425 ppm2      2.963 !2

ASSI {16}   (( resid 14   and name  HN  ))   (( resid 39   and name  HB1 )) 2.972 1.272 2.412 peak   571 weight  1.00000E+00 volume  3.46230E+05 ppm1      8.569 ppm2      4.365 !2

ASSI {17}   (( resid 17   and name  HN  ))   (( resid 15   and name  HD21)) 3.118 1.418 2.718 peak     6 weight  1.00000E+00 volume  2.51758E+05 ppm1      7.518 ppm2      6.221 !2

ASSI {18}   (( resid 15   and name  HN  ))   (  resid 70   and name  HD# ) 3.324 1.624 3.994 peak   645 weight  1.00000E+00 volume  2.58853E+05 ppm1      9.272 ppm2      6.634 !3

ASSI {19}   (( resid 15   and name  HN  ))   (( resid 67   and name  HA  )) 2.817 1.117 4.628 peak   648 weight  1.00000E+00 volume  5.43277E+05 ppm1      9.275 ppm2      5.116 !2

ASSI {20}   (( resid 16   and name  HN  ))   (( resid 17   and name  HE21)) 3.096 1.396 1.726 peak   755 weight  1.00000E+00 volume  2.34733E+05 ppm1      8.004 ppm2      7.170 !1

ASSI {21}   (( resid 16   and name  HN  ))   (( resid 67   and name  HA  )) 2.493 0.793 6.242 peak   760 weight  1.00000E+00 volume  1.65334E+06 ppm1      8.003 ppm2      5.108 !4

ASSI {22}   (( resid 20   and name  HN  ))   (( resid 18   and name  HA2 )) 2.979 1.279 4.729 peak  1575 weight  1.00000E+00 volume  3.30571E+05 ppm1      8.192 ppm2      4.510 !3

ASSI {23}   (( resid 20   and name  HN  ))   (( resid 19   and name  HE  )) 2.986 1.286 2.846 peak  1567 weight  1.00000E+00 volume  3.11045E+05 ppm1      8.192 ppm2      7.320 !3

ASSI {24}   (( resid 20   and name  HN  ))   (( resid 19   and name  HA  )) 2.18 0.48 1.081 peak  1577 weight  1.00000E+00 volume  6.30451E+06 ppm1      8.191 ppm2      4.188 !1

ASSI {25}   (( resid 20   and name  HN  ))   (( resid 19   and name  HG2 )) 2.595 0.895 3.155 peak  1585 weight  1.00000E+00 volume  1.07915E+06 ppm1      8.190 ppm2      1.936 !2

ASSI {26}   (( resid 22   and name  HN  ))   (( resid 20   and name  HA  )) 3.017 1.317 3.437 peak  1155 weight  1.00000E+00 volume  3.30088E+05 ppm1      7.538 ppm2      5.678 !2

ASSI {27}   (( resid 41   and name  HN  ))   (( resid 20   and name  HD2 )) 3.131 1.431 6.341 peak  1198 weight  1.00000E+00 volume  2.06043E+05 ppm1      9.047 ppm2      3.083 !4

ASSI {28}   (( resid 20   and name  HN  ))   (( resid 20   and name  HE  )) 2.979 1.279 2.889 peak  1566 weight  1.00000E+00 volume  3.07379E+05 ppm1      8.195 ppm2      7.601 !2

ASSI {29}   (( resid 20   and name  HN  ))   (  resid 21   and name  HD# ) 3.402 1.702 3.152 peak  1570 weight  1.00000E+00 volume  1.95851E+05 ppm1      8.193 ppm2      6.583 !1

ASSI {30}   (( resid 20   and name  HN  ))   (( resid 20   and name  HA  )) 2.613 0.813 0.813 peak  1572 weight  1.00000E+00 volume  1.08388E+06 ppm1      8.191 ppm2      5.713

ASSI {31}   (( resid 20   and name  HN  ))   (( resid 20   and name  HG1 )) 2.403 0.6035 0.6035 peak  1586 weight  1.00000E+00 volume  2.36689E+06 ppm1      8.190 ppm2      1.465

ASSI {32}   (( resid 20   and name  HN  ))   (( resid 20   and name  HB2 )) 2.589 0.889 2.559 peak  1588 weight  1.00000E+00 volume  1.21574E+06 ppm1      8.190 ppm2      1.223 !2

ASSI {33}   (( resid 20   and name  HN  ))   (( resid 20   and name  HG2 )) 2.491 0.791 3.071 peak  1589 weight  1.00000E+00 volume  1.69221E+06 ppm1      8.189 ppm2      1.107 !2

ASSI {34}   (( resid 20   and name  HN  ))   (  resid 34   and name  HD2#) 3.183 1.483 2.262 peak  1590 weight  1.00000E+00 volume  5.71952E+05 ppm1      8.190 ppm2      0.873 !1

ASSI {35}   (( resid 20   and name  HN  ))   (  resid 34   and name  HD1#) 3.377 1.577 1.577 peak  1591 weight  1.00000E+00 volume  3.43887E+05 ppm1      8.195 ppm2      0.772

ASSI {36}   (( resid 20   and name  HN  ))   (  resid 9    and name  HG2#) 3.347 1.647 2.547 peak  1593 weight  1.00000E+00 volume  3.98062E+05 ppm1      8.195 ppm2      0.545 !1

ASSI {37}   (( resid 21   and name  HN  ))   (  resid 30   and name  HE# ) 3.184 1.384 1.384 peak  1088 weight  1.00000E+00 volume  3.73306E+05 ppm1      8.933 ppm2      6.417

ASSI {38}   (( resid 21   and name  HN  ))   (  resid 21   and name  HE# ) 3.389 1.689 3.109 peak  1089 weight  1.00000E+00 volume  2.25112E+05 ppm1      8.929 ppm2      6.307 !1

ASSI {39}   (( resid 24   and name  HN  ))   (( resid 22   and name  HN  )) 3.037 1.337 5.476 peak  1151 weight  1.00000E+00 volume  3.01593E+05 ppm1      7.542 ppm2      8.602 !3

ASSI {40}   (( resid 23   and name  HA  ))   (( resid 22   and name  HN  )) 2.801 1.101 2.561 peak  1158 weight  1.00000E+00 volume  5.90384E+05 ppm1      7.540 ppm2      4.534 !2

ASSI {41}   (( resid 23   and name  HN  ))   (( resid 25   and name  HA  )) 2.801 1.101 6.161 peak  1260 weight  1.00000E+00 volume  5.65523E+05 ppm1      8.746 ppm2      4.889 !2

ASSI {42}   (( resid 23   and name  HN  ))   (( resid 9    and name  HB  )) 3.086 1.386 4.296 peak  1263 weight  1.00000E+00 volume  2.40538E+05 ppm1      8.761 ppm2      3.505 !3

ASSI {43}   (( resid 23   and name  HN  ))   (( resid 43   and name  HB2 )) 2.867 1.167 5.457 peak  1265 weight  1.00000E+00 volume  4.61815E+05 ppm1      8.748 ppm2      1.939 !4

ASSI {44}   (( resid 23   and name  HN  ))   (( resid 24   and name  HN  )) 2.759 1.059 1.879 peak  1361 weight  1.00000E+00 volume  6.32269E+05 ppm1      8.564 ppm2      8.697 !1

ASSI {45}   (( resid 25   and name  HN  ))   (  resid 27   and name  HB# ) 2.877 1.177 3.057 peak  1510 weight  1.00000E+00 volume  4.57120E+05 ppm1      8.270 ppm2      3.401 !2

ASSI {46}   (( resid 7    and name  HB2 ))   (( resid 25   and name  HN  )) 3.099 1.399 4.439 peak  1515 weight  1.00000E+00 volume  2.26999E+05 ppm1      8.275 ppm2      1.594 !3

ASSI {47}   (( resid 83   and name  HN  ))   (( resid 27   and name  HN  )) 2.775 1.075 1.485 peak   611 weight  1.00000E+00 volume  6.19775E+05 ppm1      9.462 ppm2      9.732 !1

ASSI {48}   (( resid 27   and name  HN  ))   (  resid 55   and name  HD# ) 3.239 1.539 2.849 peak   615 weight  1.00000E+00 volume  3.28014E+05 ppm1      9.464 ppm2      6.750 !1

ASSI {49}   (( resid 29   and name  HN  ))   (( resid 82   and name  HN  )) 2.139 0.439 3.4 peak    42 weight  1.00000E+00 volume  7.89396E+06 ppm1      7.662 ppm2      7.659 !2

ASSI {50}   (( resid 30   and name  HN  ))   (( resid 82   and name  HN  )) 3.143 1.343 1.343 peak    46 weight  1.00000E+00 volume  2.08572E+05 ppm1      7.660 ppm2      8.605

ASSI {51}   (( resid 82   and name  HN  ))   (( resid 30   and name  HZ  )) 3.444 1.744 3.754 peak    54 weight  1.00000E+00 volume  1.14788E+05 ppm1      7.662 ppm2      5.770 !3

ASSI {52}   (( resid 80   and name  HN  ))   (  resid 30   and name  HD# ) 3.456 1.756 3.426 peak   928 weight  1.00000E+00 volume  1.99438E+05 ppm1      7.147 ppm2      6.899 !2

ASSI {53}   (( resid 80   and name  HN  ))   (( resid 30   and name  HZ  )) 3.269 1.569 2.629 peak   929 weight  1.00000E+00 volume  1.58917E+05 ppm1      7.134 ppm2      5.806 !2

ASSI {54}   (( resid 31   and name  HB2 ))   (( resid 82   and name  HN  )) 2.987 1.287 3.107 peak   158 weight  1.00000E+00 volume  3.13521E+05 ppm1      7.665 ppm2      3.085 !2

ASSI {55}   (( resid 35   and name  HN  ))   (( resid 37   and name  HN  )) 3.102 1.402 3.742 peak  1342 weight  1.00000E+00 volume  2.36029E+05 ppm1      9.785 ppm2      9.564 !2

ASSI {56}   (( resid 36   and name  HN  ))   (( resid 37   and name  HA  )) 3.087 1.387 1.707 peak   689 weight  1.00000E+00 volume  2.33756E+05 ppm1      7.944 ppm2      5.280 !1

ASSI {57}   (( resid 39   and name  HN  ))   (( resid 37   and name  HN  )) 3.021 1.321 4.54 peak  1345 weight  1.00000E+00 volume  2.73684E+05 ppm1      9.765 ppm2      8.427 !2

ASSI {58}   (( resid 38   and name  HN  ))   (  resid 40   and name  HD1#) 3.527 1.728 1.728 peak  1521 weight  1.00000E+00 volume  2.62554E+05 ppm1      8.509 ppm2     -0.635

ASSI {59}   (( resid 69   and name  HN  ))   (( resid 39   and name  HB1 )) 2.935 1.135 1.135 peak   798 weight  1.00000E+00 volume  3.66840E+05 ppm1      6.915 ppm2      4.285

ASSI {60}   (( resid 68   and name  HA  ))   (( resid 39   and name  HN  )) 3.163 1.463 2.653 peak  1008 weight  1.00000E+00 volume  2.00502E+05 ppm1      8.399 ppm2      3.636 !2

ASSI {61}   (( resid 39   and name  HN  ))   (( resid 40   and name  HG12)) 2.939 1.239 4.139 peak  1012 weight  1.00000E+00 volume  3.82862E+05 ppm1      8.394 ppm2      0.662 !2

ASSI {62}   (( resid 69   and name  HN  ))   (( resid 40   and name  HG11)) 2.999 1.299 4.159 peak   804 weight  1.00000E+00 volume  2.92018E+05 ppm1      6.920 ppm2      1.341 !2

ASSI {63}   (( resid 9    and name  HN  ))   (( resid 40   and name  HA  )) 2.949 1.249 1.849 peak   808 weight  1.00000E+00 volume  3.69712E+05 ppm1      8.340 ppm2      5.384 !1

ASSI {64}   (( resid 40   and name  HN  ))   (( resid 66   and name  HA  )) 2.94 1.24 2.65 peak   863 weight  1.00000E+00 volume  3.91792E+05 ppm1      9.094 ppm2      4.869 !2

ASSI {65}   (( resid 49   and name  HN  ))   (  resid 40   and name  HD1#) 3.745 2.045 4.695 peak  1600 weight  1.00000E+00 volume  1.40926E+05 ppm1      9.078 ppm2     -0.626 !2

ASSI {66}   (( resid 42   and name  HA  ))   (( resid 41   and name  HN  )) 3.075 1.276 1.276 peak  1196 weight  1.00000E+00 volume  2.47402E+05 ppm1      9.051 ppm2      4.194

ASSI {67}   (( resid 41   and name  HN  ))   (( resid 67   and name  HB1 )) 3.0 1.3 3.57 peak  1197 weight  1.00000E+00 volume  3.09550E+05 ppm1      9.033 ppm2      3.269 !2

ASSI {68}   (( resid 42   and name  HN  ))   (  resid 8    and name  HD1#) 3.352 1.652 2.072 peak   179 weight  1.00000E+00 volume  3.72274E+05 ppm1      9.335 ppm2     -0.084 !1

ASSI {69}   (( resid 66   and name  HN  ))   (  resid 42   and name  HG2#) 3.471 1.771 4.101 peak   526 weight  1.00000E+00 volume  2.83189E+05 ppm1      8.336 ppm2      1.123 !3

ASSI {70}   (( resid 43   and name  HN  ))   (  resid 7    and name  HG# ) 3.076 1.276 1.276 peak   924 weight  1.00000E+00 volume  2.62900E+05 ppm1      8.526 ppm2      1.212

ASSI {71}   (( resid 45   and name  HN  ))   (( resid 43   and name  HA  )) 2.991 1.291 4.421 peak  1168 weight  1.00000E+00 volume  3.07993E+05 ppm1      8.118 ppm2      4.450 !3

ASSI {72}   (( resid 46   and name  HN  ))   (( resid 47   and name  HD1 )) 2.977 1.277 2.097 peak  1043 weight  1.00000E+00 volume  3.43421E+05 ppm1      8.068 ppm2      7.003 !1
OR {72}   (( resid 46   and name  HN  ))   (( resid 47   and name  HZ2 ))

ASSI {73}   (  resid 85   and name  HB# )   (( resid 46   and name  HN  )) 3.298 1.598 2.968 peak  1057 weight  1.00000E+00 volume  4.29063E+05 ppm1      8.052 ppm2      0.143 !2

ASSI {74}   (( resid 46   and name  HN  ))   (  resid 8    and name  HG2#) 3.593 1.893 5.783 peak  1058 weight  1.00000E+00 volume  2.10386E+05 ppm1      8.069 ppm2     -0.610 !3

ASSI {75}   (( resid 47   and name  HN  ))   (( resid 61   and name  HG12)) 3.133 1.433 3.373 peak   655 weight  1.00000E+00 volume  2.27896E+05 ppm1      8.576 ppm2      1.221 !1

ASSI {76}   (( resid 49   and name  HN  ))   (( resid 47   and name  HA  )) 2.955 1.255 2.935 peak  1594 weight  1.00000E+00 volume  3.54409E+05 ppm1      9.073 ppm2      4.870 !2

ASSI {77}   (( resid 62   and name  HB1 ))   (( resid 48   and name  HN  )) 2.949 1.249 3.759 peak   265 weight  1.00000E+00 volume  3.78452E+05 ppm1      9.524 ppm2      1.440 !2

ASSI {78}   (( resid 50   and name  HN  ))   (( resid 48   and name  HA  )) 3.058 1.358 3.778 peak  1533 weight  1.00000E+00 volume  2.70110E+05 ppm1      8.879 ppm2      5.215 !3

ASSI {79}   (( resid 49   and name  HA  ))   (( resid 82   and name  HN  )) 3.019 1.319 3.999 peak   153 weight  1.00000E+00 volume  3.00621E+05 ppm1      7.663 ppm2      5.349 !2

ASSI {80}   (( resid 49   and name  HB  ))   (( resid 82   and name  HN  )) 2.953 1.253 4.933 peak   159 weight  1.00000E+00 volume  4.43189E+05 ppm1      7.661 ppm2      2.269 !2

ASSI {81}   (( resid 50   and name  HN  ))   (( resid 82   and name  HN  )) 2.631 0.931 3.841 peak    44 weight  1.00000E+00 volume  1.01101E+06 ppm1      7.662 ppm2      8.863 !3

ASSI {82}   (( resid 50   and name  HN  ))   (( resid 83   and name  HN  )) 3.168 1.468 2.848 peak  1527 weight  1.00000E+00 volume  1.94261E+05 ppm1      8.864 ppm2      9.731 !2

ASSI {83}   (( resid 56   and name  HN  ))   (( resid 50   and name  HN  )) 3.028 1.328 3.278 peak  1532 weight  1.00000E+00 volume  3.13290E+05 ppm1      8.871 ppm2      6.314 !2

ASSI {84}   (( resid 50   and name  HN  ))   (( resid 80   and name  HA  )) 3.115 1.415 2.085 peak  1534 weight  1.00000E+00 volume  2.18748E+05 ppm1      8.865 ppm2      5.025 !1

ASSI {85}   (( resid 50   and name  HN  ))   (  resid 55   and name  HD# ) 2.96 1.26 2.3 peak  2364 weight  1.00000E+00 volume  6.80464E+05 ppm1      8.874 ppm2      6.748 !1

ASSI {86}   (( resid 56   and name  HN  ))   (( resid 51   and name  HG2 )) 3.108 1.408 4.638 peak   240 weight  1.00000E+00 volume  2.29221E+05 ppm1      6.352 ppm2      1.935 !2

ASSI {87}   (( resid 52   and name  HA  ))   (( resid 82   and name  HN  )) 2.908 1.208 4.828 peak   155 weight  1.00000E+00 volume  4.15358E+05 ppm1      7.668 ppm2      4.637 !3

ASSI {88}   (( resid 56   and name  HN  ))   (( resid 52   and name  HA  )) 3.006 1.306 2.657 peak   235 weight  1.00000E+00 volume  3.15446E+05 ppm1      6.350 ppm2      4.594 !2

ASSI {89}   (( resid 79   and name  HN  ))   (( resid 52   and name  HG2 )) 2.985 1.285 5.315 peak   983 weight  1.00000E+00 volume  3.16500E+05 ppm1      7.878 ppm2      1.382 !2

ASSI {90}   (( resid 52   and name  HN  ))   (  resid 58   and name  HB# ) 2.778 1.078 3.658 peak  1146 weight  1.00000E+00 volume  6.17413E+05 ppm1      8.263 ppm2      2.869 !3

ASSI {91}   (( resid 52   and name  HG1 ))   (( resid 54   and name  HN  )) 3.016 1.316 5.636 peak  1406 weight  1.00000E+00 volume  2.90897E+05 ppm1      9.949 ppm2      1.519 !2

ASSI {92}   (( resid 52   and name  HN  ))   (( resid 81   and name  HN  )) 3.075 1.375 1.785 peak  1417 weight  1.00000E+00 volume  2.42122E+05 ppm1      8.734 ppm2      8.225 !1

ASSI {93}   (( resid 53   and name  HA  ))   (( resid 54   and name  HD21)) 3.141 1.441 1.851 peak  1221 weight  1.00000E+00 volume  2.04625E+05 ppm1      7.365 ppm2      3.973 !1

ASSI {94}   (( resid 54   and name  HN  ))   (( resid 82   and name  HN  )) 3.307 1.607 2.017 peak    49 weight  1.00000E+00 volume  1.48991E+05 ppm1      7.670 ppm2      9.926 !1

ASSI {95}   (( resid 54   and name  HD22))   (( resid 54   and name  HN  )) 3.083 1.383 2.674 peak  1218 weight  1.00000E+00 volume  2.55570E+05 ppm1      6.797 ppm2      9.892 !2

ASSI {96}   (( resid 54   and name  HN  ))   (( resid 54   and name  HD21)) 3.156 1.356 1.356 peak  1219 weight  1.00000E+00 volume  2.22304E+05 ppm1      7.363 ppm2      9.904

ASSI {97}   (( resid 82   and name  HN  ))   (  resid 55   and name  HE# ) 3.201 1.501 3.591 peak    43 weight  1.00000E+00 volume  2.53697E+05 ppm1      7.662 ppm2      7.421 !2
OR {97}   (( resid 55   and name  HN  ))   (( resid 82   and name  HN  ))

ASSI {98}   (( resid 83   and name  HB1 ))   (( resid 55   and name  HN  )) 3.04 1.34 6.86 peak   450 weight  1.00000E+00 volume  2.66766E+05 ppm1      7.426 ppm2      3.759 !4

ASSI {99}   (( resid 84   and name  HN  ))   (  resid 55   and name  HD# ) 3.188 1.488 2.858 peak   962 weight  1.00000E+00 volume  3.60487E+05 ppm1     10.101 ppm2      6.764 !2

ASSI {100}   (  resid 58   and name  HE# )   (( resid 76   and name  HN  )) 3.307 1.607 5.137 peak   710 weight  1.00000E+00 volume  2.48242E+05 ppm1      7.534 ppm2      6.838 !3

ASSI {101}   (( resid 61   and name  HN  ))   (  resid 63   and name  HG# ) 3.15 1.45 3.69 peak  1217 weight  1.00000E+00 volume  1.68891E+05 ppm1      8.171 ppm2      1.951 !2

ASSI {102}   (( resid 63   and name  HD1 ))   (( resid 66   and name  HN  )) 2.683 0.983 6.533 peak   521 weight  1.00000E+00 volume  8.63581E+05 ppm1      8.325 ppm2      4.115 !2

ASSI {103}   (( resid 73   and name  HN  ))   (  resid 67   and name  HE# ) 3.174 1.474 3.324 peak  1106 weight  1.00000E+00 volume  3.71600E+05 ppm1      7.285 ppm2      6.802 !3

ASSI {104}   (( resid 72   and name  HN  ))   (( resid 67   and name  HB1 )) 2.941 1.241 1.691 peak  1323 weight  1.00000E+00 volume  3.55125E+05 ppm1      8.010 ppm2      3.254 !1

ASSI {105}   (( resid 70   and name  HN  ))   (( resid 73   and name  HN  )) 3.184 1.484 3.124 peak  1105 weight  1.00000E+00 volume  1.79530E+05 ppm1      7.289 ppm2      8.401 !2

ASSI {106}   (( resid 73   and name  HN  ))   (( resid 71   and name  HE21)) 2.71 1.01 4.52 peak  1102 weight  1.00000E+00 volume  7.61816E+05 ppm1      7.276 ppm2      7.137 !4

ASSI {107}   (( resid 74   and name  HN  ))   (( resid 73   and name  HE1 )) 2.966 1.266 4.437 peak   532 weight  1.00000E+00 volume  3.20576E+05 ppm1      9.986 ppm2      7.626 !2

ASSI {108}   (( resid 79   and name  HN  ))   (( resid 73   and name  HH2 )) 3.143 1.343 1.343 peak   974 weight  1.00000E+00 volume  2.03920E+05 ppm1      7.884 ppm2      6.711
OR {108}   (( resid 79   and name  HN  ))   (( resid 73   and name  HZ3 ))

ASSI {109}   (( resid 73   and name  HN  ))   (( resid 73   and name  HH2 )) 2.917 1.217 3.617 peak  1107 weight  1.00000E+00 volume  4.00109E+05 ppm1      7.277 ppm2      6.708 !2
OR {109}   (( resid 73   and name  HN  ))   (( resid 73   and name  HZ3 ))

ASSI {110}   (( resid 75   and name  HA2 ))   (( resid 76   and name  HN  )) 2.775 1.075 1.955 peak   712 weight  1.00000E+00 volume  6.41104E+05 ppm1      7.539 ppm2      3.668 !1

ASSI {111}   (( resid 76   and name  HB1 ))   (( resid 76   and name  HN  )) 2.774 0.974 0.974 peak   714 weight  1.00000E+00 volume  6.18005E+05 ppm1      7.538 ppm2      1.460

ASSI {112}   (( resid 76   and name  HN  ))   (( resid 76   and name  HG  )) 2.721 0.921 0.921 peak   715 weight  1.00000E+00 volume  7.32598E+05 ppm1      7.537 ppm2      1.638

ASSI {113}   (( resid 76   and name  HB2 ))   (( resid 76   and name  HN  )) 2.653 0.853 0.853 peak   716 weight  1.00000E+00 volume  9.36861E+05 ppm1      7.541 ppm2      1.294

ASSI {114}   (  resid 76   and name  HD1#)   (( resid 76   and name  HN  )) 3.208 1.408 1.408 peak   717 weight  1.00000E+00 volume  5.54222E+05 ppm1      7.538 ppm2      0.604

ASSI {115}   (  resid 76   and name  HD2#)   (( resid 76   and name  HN  )) 3.306 1.506 1.506 peak   718 weight  1.00000E+00 volume  4.38230E+05 ppm1      7.538 ppm2      0.738

ASSI {116}   (( resid 80   and name  HN  ))   (( resid 78   and name  HA  )) 2.889 1.189 3.069 peak   931 weight  1.00000E+00 volume  4.23365E+05 ppm1      7.146 ppm2      4.577 !2

ASSI {117}   (( resid 82   and name  HN  ))   (( resid 80   and name  HA  )) 2.68 0.98 3.63 peak    55 weight  1.00000E+00 volume  8.62217E+05 ppm1      7.661 ppm2      4.987 !2

ASSI {118}   (( resid 83   and name  HN  ))   (( resid 82   and name  HN  )) 2.987 1.287 1.818 peak    47 weight  1.00000E+00 volume  3.37631E+05 ppm1      7.661 ppm2      9.718 !1

ASSI {119}   (( resid 84   and name  HN  ))   (( resid 84   and name  HE  )) 2.869 1.169 3.069 peak   963 weight  1.00000E+00 volume  4.60526E+05 ppm1     10.097 ppm2      6.544 !2

ASSI {120}   (( resid 86   and name  HN  ))   (( resid 87   and name  HA  )) 2.991 1.291 2.181 peak    73 weight  1.00000E+00 volume  2.91222E+05 ppm1      8.075 ppm2      4.624 !1

ASSI {121}   (( resid 94   and name  HB2 ))   (( resid 94   and name  HN  )) 2.611 0.911 1.911 peak  1126 weight  1.00000E+00 volume  1.05826E+06 ppm1      8.346 ppm2      2.679 !1

ASSI {122}   (( resid 96   and name  HN  ))   (( resid 95   and name  HN  )) 3.015 1.215 1.215 peak  1522 weight  1.00000E+00 volume  2.96165E+05 ppm1      9.040 ppm2      9.160

ASSI {123}   (( resid 97   and name  HN  ))   (( resid 95   and name  HA  )) 3.073 1.373 3.023 peak  1626 weight  1.00000E+00 volume  2.52367E+05 ppm1      8.861 ppm2      4.962 !1

ASSI {124}   (( resid 100  and name  HN  ))   (( resid 106  and name  HN  )) 3.223 1.523 2.312 peak    74 weight  1.00000E+00 volume  1.64790E+05 ppm1      8.373 ppm2      8.884 !1

ASSI {125}   (( resid 101  and name  HN  ))   (( resid 107  and name  HB1 )) 2.951 1.251 3.041 peak   186 weight  1.00000E+00 volume  3.69371E+05 ppm1      7.863 ppm2      1.903 !2

ASSI {126}   (( resid 101  and name  HN  ))   (  resid 127  and name  HG2#) 3.471 1.771 2.501 peak   187 weight  1.00000E+00 volume  2.77294E+05 ppm1      7.868 ppm2      1.044 !1

ASSI {127}   (( resid 130  and name  HN  ))   (( resid 102  and name  HA1 )) 3.068 1.368 4.178 peak   230 weight  1.00000E+00 volume  2.57838E+05 ppm1      9.972 ppm2      3.751 !2

ASSI {128}   (( resid 104  and name  HN  ))   (  resid 99   and name  HD# ) 3.228 1.528 1.968 peak   987 weight  1.00000E+00 volume  3.30235E+05 ppm1      7.891 ppm2      6.698 !1

ASSI {129}   (( resid 157  and name  HN  ))   (( resid 104  and name  HZ  )) 3.032 1.232 1.232 peak  1461 weight  1.00000E+00 volume  2.77780E+05 ppm1      8.165 ppm2      6.911

ASSI {130}   (( resid 105  and name  HN  ))   (( resid 99   and name  HA  )) 3.076 1.376 1.796 peak   272 weight  1.00000E+00 volume  2.63547E+05 ppm1      6.482 ppm2      5.447 !1

ASSI {131}   (( resid 99   and name  HN  ))   (( resid 108  and name  HA  )) 2.904 1.204 2.303 peak   769 weight  1.00000E+00 volume  4.00954E+05 ppm1      8.082 ppm2      4.912 !2

ASSI {132}   (( resid 110  and name  HN  ))   (( resid 108  and name  HA  )) 3.138 1.438 2.808 peak   886 weight  1.00000E+00 volume  2.16809E+05 ppm1      8.798 ppm2      4.914 !1

ASSI {133}   (( resid 109  and name  HN  ))   (( resid 96   and name  HG12)) 3.103 1.403 3.223 peak  1416 weight  1.00000E+00 volume  2.22782E+05 ppm1      8.224 ppm2      0.867 !2

ASSI {134}   (( resid 98   and name  HA  ))   (( resid 111  and name  HN  )) 2.771 1.071 6.401 peak   310 weight  1.00000E+00 volume  5.77599E+05 ppm1      8.867 ppm2      4.809 !3

ASSI {135}   (( resid 111  and name  HN  ))   (( resid 96   and name  HG12)) 3.189 1.489 2.139 peak   315 weight  1.00000E+00 volume  1.63640E+05 ppm1      8.877 ppm2      0.871 !1

ASSI {136}   (( resid 113  and name  HN  ))   (  resid 94   and name  HD# ) 2.991 1.291 1.921 peak   369 weight  1.00000E+00 volume  6.33820E+05 ppm1      8.456 ppm2      6.676 !1

ASSI {137}   (( resid 95   and name  HA  ))   (( resid 113  and name  HN  )) 2.925 1.225 2.385 peak   372 weight  1.00000E+00 volume  3.87002E+05 ppm1      8.453 ppm2      5.045 !2

ASSI {138}   (( resid 113  and name  HN  ))   (( resid 114  and name  HB2 )) 2.877 1.177 4.257 peak   374 weight  1.00000E+00 volume  4.28074E+05 ppm1      8.457 ppm2      2.590 !2

ASSI {139}   (( resid 113  and name  HN  ))   (( resid 122  and name  HZ  )) 3.028 1.328 3.258 peak  1174 weight  1.00000E+00 volume  2.93007E+05 ppm1      8.466 ppm2      7.204 !2

ASSI {140}   (( resid 173  and name  HN  ))   (( resid 114  and name  HB2 )) 2.958 1.258 2.278 peak   505 weight  1.00000E+00 volume  3.43576E+05 ppm1      8.921 ppm2      2.528 !1

ASSI {141}   (( resid 115  and name  HN  ))   (  resid 174  and name  HB# ) 2.853 1.053 1.053 peak   218 weight  1.00000E+00 volume  4.81835E+05 ppm1      8.986 ppm2      1.683

ASSI {142}   (( resid 118  and name  HN  ))   (  resid 122  and name  HD# ) 3.346 1.646 2.886 peak   737 weight  1.00000E+00 volume  2.43002E+05 ppm1      8.676 ppm2      6.628 !2

ASSI {143}   (( resid 118  and name  HN  ))   (( resid 171  and name  HB1 )) 2.947 1.247 2.597 peak   743 weight  1.00000E+00 volume  3.86208E+05 ppm1      8.696 ppm2      1.428 !2

ASSI {144}   (( resid 118  and name  HN  ))   (( resid 119  and name  HN  )) 2.772 1.072 1.743 peak   945 weight  1.00000E+00 volume  6.61048E+05 ppm1      8.961 ppm2      8.635 !1

ASSI {145}   (  resid 118  and name  HD1#)   (( resid 124  and name  HN  )) 3.394 1.694 2.414 peak  1078 weight  1.00000E+00 volume  3.64869E+05 ppm1      6.943 ppm2      0.639 !1

ASSI {146}   (( resid 122  and name  HN  ))   (( resid 119  and name  HG1 )) 3.019 1.319 3.379 peak   292 weight  1.00000E+00 volume  2.92431E+05 ppm1      7.831 ppm2      2.687 !2

ASSI {147}   (( resid 119  and name  HA  ))   (( resid 121  and name  HN  )) 3.081 1.381 1.841 peak   668 weight  1.00000E+00 volume  2.44028E+05 ppm1      7.293 ppm2      4.298 !1

ASSI {148}   (( resid 120  and name  HN  ))   (( resid 143  and name  HA  )) 3.068 1.368 5.068 peak  1023 weight  1.00000E+00 volume  2.58503E+05 ppm1      7.672 ppm2      4.118 !4

ASSI {149}   (( resid 121  and name  HN  ))   (( resid 121  and name  HG1 )) 2.714 1.014 1.754 peak   675 weight  1.00000E+00 volume  7.28920E+05 ppm1      7.287 ppm2      1.134 !1

ASSI {150}   (( resid 122  and name  HN  ))   (( resid 124  and name  HG1 )) 3.156 1.456 2.276 peak   293 weight  1.00000E+00 volume  1.89986E+05 ppm1      7.839 ppm2      2.514 !1

ASSI {151}   (( resid 125  and name  HN  ))   (( resid 128  and name  HE1 )) 3.103 1.403 2.112 peak  1206 weight  1.00000E+00 volume  2.44897E+05 ppm1      8.860 ppm2      8.536 !1

ASSI {152}   (( resid 127  and name  HN  ))   (( resid 128  and name  HA  )) 2.989 1.289 2.239 peak   330 weight  1.00000E+00 volume  3.19896E+05 ppm1      8.145 ppm2      4.700 !1

ASSI {153}   (( resid 169  and name  HN  ))   (( resid 128  and name  HA  )) 2.896 1.196 3.796 peak   785 weight  1.00000E+00 volume  4.48570E+05 ppm1      7.472 ppm2      4.702 !3

ASSI {154}   (( resid 129  and name  HN  ))   (( resid 163  and name  HZ2 )) 2.946 1.246 2.346 peak   418 weight  1.00000E+00 volume  3.83767E+05 ppm1      8.015 ppm2      7.326 !1

ASSI {155}   (( resid 156  and name  HN  ))   (( resid 133  and name  HB2 )) 2.982 1.282 4.763 peak    29 weight  1.00000E+00 volume  3.42618E+05 ppm1      7.964 ppm2      1.390 !4

ASSI {156}   (( resid 134  and name  HN  ))   (  resid 94   and name  HE# ) 3.351 1.651 4.41 peak    95 weight  1.00000E+00 volume  2.47659E+05 ppm1      8.861 ppm2      6.877 !2

ASSI {157}   (( resid 134  and name  HN  ))   (( resid 137  and name  HB2 )) 3.339 1.539 1.539 peak    99 weight  1.00000E+00 volume  1.31980E+05 ppm1      8.869 ppm2      3.018

ASSI {158}   (( resid 134  and name  HN  ))   (( resid 137  and name  HB1 )) 3.245 1.545 2.495 peak   100 weight  1.00000E+00 volume  1.76210E+05 ppm1      8.873 ppm2      2.563 !1

ASSI {159}   (( resid 134  and name  HN  ))   (( resid 89   and name  HB2 )) 3.275 1.575 3.215 peak   102 weight  1.00000E+00 volume  1.54551E+05 ppm1      8.866 ppm2      2.312 !2

ASSI {160}   (( resid 134  and name  HA  ))   (( resid 94   and name  HN  )) 2.675 0.975 4.565 peak  1121 weight  1.00000E+00 volume  9.06818E+05 ppm1      8.341 ppm2      4.607 !3

ASSI {161}   (( resid 87   and name  HN  ))   (( resid 135  and name  HA2 )) 3.096 1.396 4.886 peak  1065 weight  1.00000E+00 volume  2.40662E+05 ppm1      8.679 ppm2      3.278 !3

ASSI {162}   (  resid 138  and name  HG2#)   (( resid 152  and name  HN  )) 3.561 1.861 5.88 peak   593 weight  1.00000E+00 volume  2.04946E+05 ppm1      9.301 ppm2      0.329 !3

ASSI {163}   (( resid 138  and name  HN  ))   (( resid 173  and name  HB2 )) 3.182 1.382 1.382 peak  1381 weight  1.00000E+00 volume  2.05768E+05 ppm1      9.469 ppm2      3.482

ASSI {164}   (( resid 174  and name  HN  ))   (  resid 139  and name  HD# ) 3.088 1.388 2.368 peak   252 weight  1.00000E+00 volume  4.94284E+05 ppm1      9.535 ppm2      6.137 !1

ASSI {165}   (( resid 139  and name  HN  ))   (( resid 173  and name  HA  )) 3.078 1.378 3.848 peak   631 weight  1.00000E+00 volume  2.44055E+05 ppm1      8.986 ppm2      6.363 !3

ASSI {166}   (( resid 139  and name  HN  ))   (( resid 149  and name  HA  )) 2.748 1.048 2.378 peak   633 weight  1.00000E+00 volume  6.27985E+05 ppm1      8.968 ppm2      4.844 !2

ASSI {167}   (( resid 174  and name  HN  ))   (( resid 140  and name  HA  )) 3.082 1.382 4.302 peak   254 weight  1.00000E+00 volume  2.66804E+05 ppm1      9.550 ppm2      5.809 !3

ASSI {168}   (( resid 145  and name  HN  ))   (( resid 140  and name  HN  )) 3.168 1.468 3.018 peak  1303 weight  1.00000E+00 volume  1.90984E+05 ppm1      8.941 ppm2      7.874 !2

ASSI {169}   (  resid 173  and name  HE# )   (( resid 140  and name  HN  )) 3.353 1.653 3.703 peak  1304 weight  1.00000E+00 volume  2.39378E+05 ppm1      8.974 ppm2      7.233 !2

ASSI {170}   (( resid 141  and name  HN  ))   (  resid 172  and name  HB# ) 3.139 1.439 5.119 peak   135 weight  1.00000E+00 volume  2.04331E+05 ppm1      9.239 ppm2      4.260 !4

ASSI {171}   (( resid 141  and name  HN  ))   (( resid 148  and name  HN  )) 3.056 1.356 2.186 peak   350 weight  1.00000E+00 volume  2.66100E+05 ppm1      8.613 ppm2      9.283 !1

ASSI {172}   (( resid 169  and name  HN  ))   (( resid 141  and name  HA  )) 2.922 1.222 4.942 peak   786 weight  1.00000E+00 volume  3.89880E+05 ppm1      7.471 ppm2      4.371 !3

ASSI {173}   (( resid 171  and name  HN  ))   (( resid 141  and name  HN  )) 3.117 1.417 3.277 peak   876 weight  1.00000E+00 volume  2.22349E+05 ppm1      8.554 ppm2      9.243 !2

ASSI {174}   (( resid 171  and name  HN  ))   (( resid 142  and name  HA  )) 3.091 1.391 4.471 peak   877 weight  1.00000E+00 volume  2.46101E+05 ppm1      8.557 ppm2      4.972 !3

ASSI {175}   (( resid 142  and name  HN  ))   (( resid 171  and name  HE21)) 3.102 1.402 4.782 peak  1483 weight  1.00000E+00 volume  2.48979E+05 ppm1      8.058 ppm2      7.751 !3

ASSI {176}   (( resid 145  and name  HN  ))   (( resid 144  and name  HD21)) 2.979 1.279 2.029 peak  1238 weight  1.00000E+00 volume  3.34720E+05 ppm1      7.884 ppm2      7.339 !1

ASSI {177}   (( resid 174  and name  HN  ))   (( resid 145  and name  HB2 )) 3.051 1.351 4.301 peak   256 weight  1.00000E+00 volume  2.67682E+05 ppm1      9.554 ppm2      1.855 !1

ASSI {178}   (( resid 145  and name  HN  ))   (( resid 173  and name  HB1 )) 3.096 1.396 3.926 peak  1246 weight  1.00000E+00 volume  2.38725E+05 ppm1      7.882 ppm2      3.798 !2

ASSI {179}   (( resid 146  and name  HN  ))   (( resid 147  and name  HA1 )) 2.923 1.223 2.873 peak  1279 weight  1.00000E+00 volume  3.60802E+05 ppm1      6.142 ppm2      4.268 !2

ASSI {180}   (( resid 172  and name  HN  ))   (( resid 147  and name  HA1 )) 2.767 1.067 5.037 peak  1294 weight  1.00000E+00 volume  5.92645E+05 ppm1      8.359 ppm2      4.355 !4

ASSI {181}   (( resid 149  and name  HE21))   (( resid 60   and name  HA  )) 3.019 1.219 1.219 peak   317 weight  1.00000E+00 volume  2.99414E+05 ppm1      8.281 ppm2      4.688

ASSI {182}   (( resid 151  and name  HN  ))   (( resid 149  and name  HA  )) 2.901 1.201 3.731 peak   910 weight  1.00000E+00 volume  3.73264E+05 ppm1      8.279 ppm2      4.850 !2

ASSI {183}   (( resid 150  and name  HN  ))   (( resid 151  and name  HG  )) 3.191 1.491 4.741 peak  1452 weight  1.00000E+00 volume  1.86078E+05 ppm1      8.736 ppm2      1.394 !2

ASSI {184}   (( resid 153  and name  HN  ))   (( resid 151  and name  HG  )) 2.675 0.975 4.576 peak   723 weight  1.00000E+00 volume  8.83758E+05 ppm1      8.954 ppm2      1.364 !3

ASSI {185}   (( resid 151  and name  HN  ))   (( resid 164  and name  HA2 )) 3.13 1.43 4.43 peak   911 weight  1.00000E+00 volume  2.19671E+05 ppm1      8.276 ppm2      4.520 !2

ASSI {186}   (( resid 156  and name  HN  ))   (( resid 154  and name  HN  )) 3.368 1.668 4.888 peak  1676 weight  1.00000E+00 volume  1.18791E+05 ppm1      8.307 ppm2      7.973 !2

ASSI {187}   (( resid 160  and name  HD1 ))   (( resid 162  and name  HN  )) 3.027 1.327 2.238 peak  1477 weight  1.00000E+00 volume  3.03170E+05 ppm1      8.147 ppm2      4.048 !1

ASSI {188}   (( resid 160  and name  HB1 ))   (( resid 162  and name  HN  )) 2.874 1.174 2.714 peak  1479 weight  1.00000E+00 volume  4.70641E+05 ppm1      8.159 ppm2      0.974 !2

ASSI {189}   (( resid 161  and name  HN  ))   (( resid 160  and name  HG2 )) 2.956 1.156 1.156 peak  1561 weight  1.00000E+00 volume  3.73731E+05 ppm1      7.199 ppm2      1.787

ASSI {190}   (( resid 164  and name  HN  ))   (( resid 161  and name  HN  )) 2.998 1.298 2.718 peak   474 weight  1.00000E+00 volume  3.49365E+05 ppm1      7.816 ppm2      7.229 !2

ASSI {191}   (( resid 167  and name  HN  ))   (( resid 161  and name  HG11)) 2.809 1.109 2.039 peak  1394 weight  1.00000E+00 volume  5.63966E+05 ppm1      7.640 ppm2      1.302 !1

ASSI {192}   (( resid 162  and name  HN  ))   (( resid 163  and name  HZ2 )) 3.117 1.417 3.197 peak  1472 weight  1.00000E+00 volume  2.21351E+05 ppm1      8.164 ppm2      7.315 !2

ASSI {193}   (( resid 162  and name  HN  ))   (  resid 165  and name  HB# ) 3.22 1.52 2.03 peak  1480 weight  1.00000E+00 volume  5.37070E+05 ppm1      8.155 ppm2      0.851 !1

ASSI {194}   (( resid 163  and name  HN  ))   (( resid 165  and name  HA  )) 3.003 1.303 3.003 peak   148 weight  1.00000E+00 volume  3.07596E+05 ppm1      7.592 ppm2      4.460 !1

ASSI {195}   (( resid 164  and name  HN  ))   (( resid 163  and name  HE1 )) 3.064 1.364 2.694 peak   436 weight  1.00000E+00 volume  2.60498E+05 ppm1      9.778 ppm2      7.807 !2

ASSI {196}   (( resid 170  and name  HN  ))   (( resid 171  and name  HA  )) 2.996 1.296 2.596 peak   243 weight  1.00000E+00 volume  3.22808E+05 ppm1      7.290 ppm2      4.798 !2

ASSI {197}   (( resid 173  and name  HN  ))   (( resid 173  and name  HB1 )) 3.03 1.23 1.23 peak   504 weight  1.00000E+00 volume  2.80782E+05 ppm1      8.939 ppm2      3.800

ASSI {198}   (( resid 64   and name  HN  ))   (( resid 178  and name  HB1 )) 2.779 1.079 3.059 peak  1036 weight  1.00000E+00 volume  6.00803E+05 ppm1      8.557 ppm2      1.881 !2

!ASSI {199}   (( resid 151  and name  HN  ))   (( resid 149  and name  HG1 )) 3.153 1.453 5.673 peak   917 weight  1.00000E+00 volume  2.13031E+05 ppm1      8.273 ppm2      2.366 !3

!ASSI {200}   (( resid 23   and name  HN  ))   (( resid 10   and name  HB2 )) 2.903 1.203 5.183 peak  1264 weight  1.00000E+00 volume  4.11328E+05 ppm1      8.766 ppm2      3.168 !4

!ASSI {201}   (( resid 37   and name  HN  ))   (  resid 30   and name  HD# ) 3.21 1.51 5.609 peak  1349 weight  1.00000E+00 volume  3.56109E+05 ppm1      9.784 ppm2      6.901 !3

!ASSI {202}   (( resid 79   and name  HN  ))   (  resid 70   and name  HE# ) 3.187 1.487 5.057 peak   972 weight  1.00000E+00 volume  3.77395E+05 ppm1      7.889 ppm2      6.498 !4

!ASSI {203}   (( resid 88   and name  HN  ))   (  resid 4    and name  HG2#) 3.441 1.741 4.961 peak   733 weight  1.00000E+00 volume  3.86313E+05 ppm1      8.696 ppm2      1.264 !5

!ASSI {204}   (( resid 50   and name  HA  ))   (( resid 82   and name  HN  )) 3.002 1.302 5.222 peak   152 weight  1.00000E+00 volume  3.19062E+05 ppm1      7.663 ppm2      5.622 !3

!ASSI {205}   (( resid 151  and name  HN  ))   (( resid 59   and name  HA  )) 3.044 1.344 5.144 peak   909 weight  1.00000E+00 volume  2.50529E+05 ppm1      8.282 ppm2      5.059 !4

!ASSI {206}   (( resid 91   and name  HN  ))   (( resid 94   and name  HN  )) 3.038 1.338 5.369 peak  1114 weight  1.00000E+00 volume  2.57613E+05 ppm1      8.336 ppm2      8.627 !3

!ASSI {207}   (( resid 22   and name  HN  ))   (( resid 19   and name  HG1 )) 3.051 1.351 6.981 peak  1165 weight  1.00000E+00 volume  2.96711E+05 ppm1      7.539 ppm2      1.726 !3

!ASSI {208}   (( resid 58   and name  HN  ))   (  resid 79   and name  HG# ) 3.134 1.434 5.334 peak   460 weight  1.00000E+00 volume  2.03276E+05 ppm1      8.318 ppm2      1.571 !4

!ASSI {209}   (( resid 134  and name  HN  ))   (( resid 175  and name  HB2 )) 3.174 1.474 6.234 peak   104 weight  1.00000E+00 volume  2.01567E+05 ppm1      8.846 ppm2      0.848 !3

!ASSI {210}   (( resid 136  and name  HA  ))   (( resid 154  and name  HN  )) 3.148 1.448 5.128 peak   110 weight  1.00000E+00 volume  2.11848E+05 ppm1      8.292 ppm2      4.808 !5

!ASSI {211}   (( resid 171  and name  HN  ))   (( resid 146  and name  HN  )) 3.03 1.33 6.12 peak  1270 weight  1.00000E+00 volume  3.13418E+05 ppm1      6.139 ppm2      8.497 !4

!ASSI {212}   (( resid 48   and name  HN  ))   (( resid 84   and name  HE  )) 3.131 1.431 5.082 peak   261 weight  1.00000E+00 volume  2.16181E+05 ppm1      9.530 ppm2      6.535 !4

!ASSI {213}   (( resid 118  and name  HN  ))   (  resid 170  and name  HG1#) 3.571 1.871 4.611 peak   745 weight  1.00000E+00 volume  2.22973E+05 ppm1      8.679 ppm2      0.519 !4

!ASSI {214}   (( resid 51   and name  HN  ))   (( resid 82   and name  HN  )) 3.195 1.495 5.385 peak    48 weight  1.00000E+00 volume  1.84968E+05 ppm1      7.666 ppm2      9.603 !3

!ASSI {215}   (( resid 81   and name  HN  ))   (( resid 52   and name  HE  )) 3.208 1.508 5.598 peak  1419 weight  1.00000E+00 volume  1.85771E+05 ppm1      8.733 ppm2      6.987 !3

!ASSI {216}   (  resid 170  and name  HG2#)   (( resid 146  and name  HN  )) 3.509 1.809 5.479 peak  1287 weight  1.00000E+00 volume  2.59562E+05 ppm1      6.146 ppm2      0.760 !3

!ASSI {217}   (( resid 69   and name  HN  ))   (( resid 71   and name  HE21)) 2.225 0.525 5.975 peak   791 weight  1.00000E+00 volume  5.55528E+06 ppm1      6.916 ppm2      7.209 !6

!ASSI {218}   (( resid 134  and name  HN  ))   (( resid 154  and name  HN  )) 3.36 1.66 5.18 peak    94 weight  1.00000E+00 volume  1.23872E+05 ppm1      8.876 ppm2      8.326 !3

!ASSI {219}   (( resid 46   and name  HN  ))   (( resid 47   and name  HZ3 )) 3.029 1.329 6.349 peak  1045 weight  1.00000E+00 volume  2.76172E+05 ppm1      8.056 ppm2      6.902 !3

!ASSI {220}   (( resid 177  and name  HA  ))   (( resid 90   and name  HN  )) 3.008 1.308 6.338 peak   561 weight  1.00000E+00 volume  3.00584E+05 ppm1      8.702 ppm2      4.227 !4

!ASSI {221}   (( resid 24   and name  HB2 ))   (( resid 22   and name  HN  )) 3.061 1.361 7.19 peak  1161 weight  1.00000E+00 volume  2.66324E+05 ppm1      7.539 ppm2      2.509 !3

!ASSI {222}   (( resid 145  and name  HN  ))   (  resid 170  and name  HG1#) 3.516 1.816 5.126 peak  1250 weight  1.00000E+00 volume  2.50172E+05 ppm1      7.884 ppm2      0.511 !3

!ASSI {223}   (  resid 89   and name  HD# )   (( resid 154  and name  HN  )) 3.215 1.515 7.205 peak   111 weight  1.00000E+00 volume  1.72441E+05 ppm1      8.305 ppm2      3.627 !4

!ASSI {224}   (( resid 28   and name  HN  ))   (( resid 23   and name  HB1 )) 3.104 1.404 7.304 peak  1337 weight  1.00000E+00 volume  2.36031E+05 ppm1      9.235 ppm2      3.085 !3

!ASSI {225}   (  resid 62   and name  HD2#)   (( resid 8    and name  HN  )) 3.654 1.954 6.574 peak   900 weight  1.00000E+00 volume  1.96657E+05 ppm1      8.463 ppm2     -0.200 !4

!ASSI {226}   (( resid 68   and name  HD1 ))   (( resid 74   and name  HN  )) 2.769 1.069 7.239 peak   356 weight  1.00000E+00 volume  6.24768E+05 ppm1      7.633 ppm2      3.901 !3

!ASSI {227}   (( resid 153  and name  HN  ))   (( resid 131  and name  HA  )) 2.745 1.045 7.736 peak   721 weight  1.00000E+00 volume  6.97353E+05 ppm1      8.957 ppm2      5.210 !1

ASSI {0}   (  resid 62   and name  HD2#)   (( resid 73   and name  HE1 )) 3.652 1.952 4.982 peak   557 weight  1.00000E+00 volume  1.85762E+05 ppm1      9.986 ppm2     -0.243 !2

ASSI {1}   (( resid 64   and name  HE21))   (  resid 67   and name  HE# ) 2.795 1.095 2.995 peak   334 weight  1.00000E+00 volume  1.01536E+06 ppm1      7.575 ppm2      6.804 !2

ASSI {2}   (( resid 70   and name  HB2 ))   (( resid 73   and name  HE1 )) 2.833 1.133 2.803 peak   550 weight  1.00000E+00 volume  5.01377E+05 ppm1      9.988 ppm2      2.201 !1

ASSI {3}   (( resid 73   and name  HE3 ))   (( resid 73   and name  HE1 )) 3.118 1.418 2.308 peak   537 weight  1.00000E+00 volume  2.22501E+05 ppm1      9.998 ppm2      6.409 !1

ASSI {4}   (( resid 121  and name  HE22))   (( resid 98   and name  HG12)) 2.947 1.247 5.627 peak   609 weight  1.00000E+00 volume  3.64275E+05 ppm1      6.804 ppm2      1.413 !2

ASSI {5}   (( resid 137  and name  HE1 ))   (  resid 96   and name  HG2#) 3.649 1.849 1.849 peak   301 weight  1.00000E+00 volume  1.86868E+05 ppm1      9.075 ppm2     -0.440

ASSI {6}   (  resid 138  and name  HG2#)   (( resid 149  and name  HE22)) 3.512 1.812 2.332 peak   323 weight  1.00000E+00 volume  2.50845E+05 ppm1      7.908 ppm2      0.357 !1

!ASSI {7}   (  resid 67   and name  HE# )   (( resid 73   and name  HE1 )) 3.088 1.388 5.998 peak   533 weight  1.00000E+00 volume  4.71050E+05 ppm1      9.991 ppm2      6.850 !3

ASSI {0}   (  resid 4    and name  HG2#)   (( resid 3    and name  HN  )) 3.269 1.569 3.74 peak  4892 weight  1.00000E+00 volume  4.09930E+05 ppm1      8.679 ppm2      1.199 !4

ASSI {1}   (( resid 5    and name  HN  ))   (( resid 4    and name  HB  )) 2.345 0.645 2.525 peak  1686 weight  1.00000E+00 volume  2.73436E+06 ppm1      8.314 ppm2      4.269 !2

ASSI {2}   (  resid 6    and name  HG2#)   (( resid 87   and name  HN  )) 3.45 1.75 2.18 peak  3286 weight  1.00000E+00 volume  2.52063E+05 ppm1      8.676 ppm2      1.024 !1

ASSI {3}   (( resid 7    and name  HD2 ))   (( resid 7    and name  HN  )) 2.863 1.163 3.273 peak  2254 weight  1.00000E+00 volume  4.13786E+05 ppm1      8.590 ppm2      1.493 !2

ASSI {4}   (( resid 9    and name  HN  ))   (( resid 7    and name  HE2 )) 3.151 1.451 3.041 peak  2532 weight  1.00000E+00 volume  1.88160E+05 ppm1      8.358 ppm2      2.751 !2

ASSI {5}   (( resid 9    and name  HN  ))   (( resid 8    and name  HB  )) 2.679 0.979 1.548 peak  2549 weight  1.00000E+00 volume  7.75917E+05 ppm1      8.355 ppm2     -0.356 !1

ASSI {6}   (( resid 9    and name  HN  ))   (( resid 8    and name  HG12)) 2.593 0.793 0.793 peak  2552 weight  1.00000E+00 volume  1.06549E+06 ppm1      8.359 ppm2     -0.795

ASSI {7}   (( resid 8    and name  HN  ))   (( resid 8    and name  HB  )) 2.819 1.019 1.019 peak  2824 weight  1.00000E+00 volume  4.87594E+05 ppm1      8.461 ppm2     -0.351

ASSI {8}   (( resid 84   and name  HN  ))   (  resid 10   and name  HE# ) 3.228 1.528 3.858 peak  2978 weight  1.00000E+00 volume  3.34965E+05 ppm1     10.097 ppm2      7.074 !3

ASSI {9}   (( resid 50   and name  HN  ))   (  resid 10   and name  HE# ) 3.035 1.335 3.746 peak  4629 weight  1.00000E+00 volume  4.95516E+05 ppm1      8.871 ppm2      7.081 !3

ASSI {10}   (( resid 25   and name  HN  ))   (  resid 10   and name  HE# ) 3.204 1.504 4.134 peak  5948 weight  1.00000E+00 volume  3.32288E+05 ppm1      8.275 ppm2      7.081 !3

ASSI {11}   (( resid 70   and name  HB1 ))   (( resid 11   and name  HN  )) 2.534 0.834 5.125 peak    94 weight  1.00000E+00 volume  1.32579E+06 ppm1      9.014 ppm2      2.276 !3

ASSI {12}   (( resid 42   and name  HN  ))   (  resid 11   and name  HD# ) 3.46 1.76 4.0 peak   433 weight  1.00000E+00 volume  1.61344E+05 ppm1      9.326 ppm2      6.738 !2

ASSI {13}   (( resid 11   and name  HN  ))   (  resid 30   and name  HE# ) 3.168 1.468 4.238 peak   549 weight  1.00000E+00 volume  3.43394E+05 ppm1      9.029 ppm2      6.412 !3

ASSI {14}   (( resid 11   and name  HN  ))   (  resid 8    and name  HD1#) 3.365 1.665 4.616 peak   557 weight  1.00000E+00 volume  3.20309E+05 ppm1      9.014 ppm2     -0.108 !3

ASSI {15}   (( resid 20   and name  HN  ))   (  resid 11   and name  HD# ) 3.259 1.559 3.209 peak  2641 weight  1.00000E+00 volume  2.78764E+05 ppm1      8.174 ppm2      6.726 !2

ASSI {16}   (( resid 40   and name  HN  ))   (( resid 11   and name  HB1 )) 3.027 1.327 3.827 peak  2708 weight  1.00000E+00 volume  2.56826E+05 ppm1      9.096 ppm2      3.374 !3

ASSI {17}   (  resid 11   and name  HD# )   (( resid 12   and name  HN  )) 3.167 1.367 1.367 peak  4004 weight  1.00000E+00 volume  3.65941E+05 ppm1      9.202 ppm2      6.782

ASSI {18}   (( resid 37   and name  HN  ))   (( resid 11   and name  HN  )) 2.932 1.232 4.412 peak  4101 weight  1.00000E+00 volume  3.44166E+05 ppm1      9.778 ppm2      9.054 !2

ASSI {19}   (( resid 20   and name  HN  ))   (( resid 12   and name  HN  )) 3.027 1.327 1.767 peak  5995 weight  1.00000E+00 volume  2.57561E+05 ppm1      8.187 ppm2      9.209 !1

ASSI {20}   (( resid 38   and name  HD22))   (( resid 13   and name  HA  )) 3.141 1.341 1.341 peak   130 weight  1.00000E+00 volume  1.95943E+05 ppm1      8.139 ppm2      5.377

ASSI {21}   (( resid 14   and name  HN  ))   (( resid 17   and name  HE22)) 3.042 1.342 2.831 peak  1781 weight  1.00000E+00 volume  2.61153E+05 ppm1      8.586 ppm2      6.889 !2

ASSI {22}   (( resid 14   and name  HN  ))   (( resid 69   and name  HG2 )) 2.939 1.239 2.979 peak  1799 weight  1.00000E+00 volume  3.26510E+05 ppm1      8.575 ppm2      2.050 !2

ASSI {23}   (( resid 69   and name  HN  ))   (( resid 14   and name  HG1 )) 2.991 1.291 3.851 peak  2509 weight  1.00000E+00 volume  2.83766E+05 ppm1      6.914 ppm2      1.446 !4

ASSI {24}   (( resid 71   and name  HN  ))   (  resid 14   and name  HD# ) 2.851 1.151 3.7 peak  4374 weight  1.00000E+00 volume  4.31043E+05 ppm1      8.524 ppm2      1.624 !3

ASSI {25}   (( resid 15   and name  HD21))   (( resid 69   and name  HA  )) 3.098 1.398 2.718 peak   520 weight  1.00000E+00 volume  2.32779E+05 ppm1      7.518 ppm2      5.343 !2

ASSI {26}   (( resid 15   and name  HN  ))   (( resid 15   and name  HD21)) 3.151 1.35 1.35 peak  2010 weight  1.00000E+00 volume  1.86487E+05 ppm1      9.261 ppm2      7.541

ASSI {27}   (( resid 15   and name  HN  ))   (( resid 17   and name  HA  )) 3.042 1.342 4.321 peak  2020 weight  1.00000E+00 volume  2.55662E+05 ppm1      9.265 ppm2      4.659 !2

ASSI {28}   (( resid 16   and name  HN  ))   (  resid 16   and name  HE# ) 3.192 1.393 1.393 peak  2363 weight  1.00000E+00 volume  3.40916E+05 ppm1      8.007 ppm2      7.286

ASSI {29}   (( resid 17   and name  HN  ))   (( resid 16   and name  HB1 )) 2.654 0.954 1.954 peak  2608 weight  1.00000E+00 volume  8.38771E+05 ppm1      6.262 ppm2      2.020 !1

ASSI {30}   (( resid 39   and name  HN  ))   (( resid 16   and name  HA  )) 2.876 1.176 3.866 peak  3115 weight  1.00000E+00 volume  3.84552E+05 ppm1      8.395 ppm2      2.876 !3

ASSI {31}   (( resid 21   and name  HN  ))   (( resid 16   and name  HB2 )) 3.0 1.3 7.48 peak  3359 weight  1.00000E+00 volume  2.79216E+05 ppm1      8.932 ppm2      2.948 !2

ASSI {32}   (( resid 18   and name  HN  ))   (( resid 17   and name  HE22)) 2.994 1.294 3.933 peak  1589 weight  1.00000E+00 volume  2.84060E+05 ppm1      8.384 ppm2      6.883 !2

ASSI {33}   (( resid 17   and name  HN  ))   (( resid 39   and name  HA  )) 2.939 1.239 4.479 peak  2589 weight  1.00000E+00 volume  3.63457E+05 ppm1      6.266 ppm2      4.983 !3

ASSI {34}   (( resid 17   and name  HN  ))   (( resid 20   and name  HB1 )) 3.054 1.354 3.315 peak  2612 weight  1.00000E+00 volume  2.31071E+05 ppm1      6.258 ppm2      1.331 !2

ASSI {35}   (( resid 20   and name  HN  ))   (( resid 19   and name  HN  )) 2.612 0.912 3.182 peak  1809 weight  1.00000E+00 volume  1.02619E+06 ppm1      8.511 ppm2      8.196 !2

ASSI {36}   (( resid 21   and name  HN  ))   (( resid 19   and name  HB1 )) 2.873 1.173 4.144 peak  3367 weight  1.00000E+00 volume  4.09171E+05 ppm1      8.927 ppm2      1.840 !1

ASSI {37}   (( resid 20   and name  HN  ))   (( resid 21   and name  HN  )) 2.746 1.046 1.726 peak  3332 weight  1.00000E+00 volume  6.38340E+05 ppm1      8.931 ppm2      8.194 !1

ASSI {38}   (( resid 34   and name  HB2 ))   (( resid 22   and name  HN  )) 3.066 1.366 4.075 peak  3540 weight  1.00000E+00 volume  2.46257E+05 ppm1      7.551 ppm2      1.849 !3

ASSI {39}   (( resid 34   and name  HB1 ))   (( resid 22   and name  HN  )) 3.076 1.376 6.036 peak  3544 weight  1.00000E+00 volume  2.41108E+05 ppm1      7.534 ppm2      1.274 !4

ASSI {40}   (( resid 24   and name  HN  ))   (  resid 22   and name  HB# ) 3.072 1.372 3.882 peak  4182 weight  1.00000E+00 volume  2.31066E+05 ppm1      8.556 ppm2      2.195 !3

ASSI {41}   (( resid 23   and name  HN  ))   (( resid 25   and name  HN  )) 2.829 1.129 4.479 peak  4534 weight  1.00000E+00 volume  4.67897E+05 ppm1      8.274 ppm2      8.714 !3

ASSI {42}   (( resid 24   and name  HN  ))   (( resid 24   and name  HB2 )) 2.6 0.9 1.48 peak  4180 weight  1.00000E+00 volume  1.06373E+06 ppm1      8.566 ppm2      2.570 !1

ASSI {43}   (( resid 25   and name  HN  ))   (( resid 24   and name  HB2 )) 2.632 0.932 2.952 peak  4562 weight  1.00000E+00 volume  9.10332E+05 ppm1      8.273 ppm2      2.567 !2

ASSI {44}   (( resid 24   and name  HB2 ))   (( resid 6    and name  HN  )) 2.925 1.225 2.915 peak  5823 weight  1.00000E+00 volume  3.67962E+05 ppm1      8.125 ppm2      2.577 !1

ASSI {45}   (( resid 8    and name  HN  ))   (( resid 25   and name  HN  )) 2.724 1.024 3.473 peak  5944 weight  1.00000E+00 volume  6.87148E+05 ppm1      8.275 ppm2      8.431 !4

ASSI {46}   (( resid 26   and name  HN  ))   (( resid 27   and name  HA  )) 2.737 1.037 3.397 peak  2647 weight  1.00000E+00 volume  6.81841E+05 ppm1      8.165 ppm2      5.047 !2

ASSI {47}   (( resid 84   and name  HN  ))   (( resid 27   and name  HN  )) 3.165 1.465 2.985 peak  1918 weight  1.00000E+00 volume  1.77855E+05 ppm1      9.460 ppm2     10.119 !2

ASSI {48}   (( resid 27   and name  HN  ))   (( resid 83   and name  HA  )) 3.066 1.366 2.745 peak  1929 weight  1.00000E+00 volume  2.33603E+05 ppm1      9.466 ppm2      6.418 !2

ASSI {49}   (  resid 84   and name  HG# )   (( resid 27   and name  HN  )) 2.962 1.262 2.662 peak  1941 weight  1.00000E+00 volume  3.05102E+05 ppm1      9.471 ppm2      1.308 !2

ASSI {50}   (  resid 85   and name  HB# )   (( resid 27   and name  HN  )) 3.517 1.817 4.147 peak  1944 weight  1.00000E+00 volume  2.18350E+05 ppm1      9.456 ppm2      0.161 !3

ASSI {51}   (( resid 53   and name  HB2 ))   (( resid 29   and name  HN  )) 2.896 1.196 4.596 peak  1196 weight  1.00000E+00 volume  3.83094E+05 ppm1      7.623 ppm2      2.138 !2

ASSI {52}   (( resid 55   and name  HN  ))   (  resid 30   and name  HD# ) 3.003 1.303 5.203 peak  1422 weight  1.00000E+00 volume  5.00976E+05 ppm1      7.426 ppm2      6.888 !2

ASSI {53}   (( resid 32   and name  HN  ))   (  resid 30   and name  HD# ) 3.098 1.398 3.018 peak  4198 weight  1.00000E+00 volume  4.27141E+05 ppm1      7.635 ppm2      6.833 !2

ASSI {54}   (( resid 30   and name  HN  ))   (  resid 30   and name  HE# ) 3.352 1.552 1.552 peak  4450 weight  1.00000E+00 volume  2.16180E+05 ppm1      8.625 ppm2      6.397

ASSI {55}   (( resid 53   and name  HA  ))   (( resid 30   and name  HN  )) 3.041 1.341 2.601 peak  4456 weight  1.00000E+00 volume  2.45190E+05 ppm1      8.630 ppm2      3.922 !2

ASSI {56}   (( resid 30   and name  HB1 ))   (( resid 34   and name  HN  )) 3.018 1.318 4.518 peak  4806 weight  1.00000E+00 volume  2.66361E+05 ppm1      7.322 ppm2      2.680 !4

ASSI {57}   (( resid 31   and name  HN  ))   (  resid 33   and name  HD# ) 3.213 1.513 3.073 peak  3061 weight  1.00000E+00 volume  3.13623E+05 ppm1      8.745 ppm2      6.777 !2

ASSI {58}   (( resid 35   and name  HA  ))   (( resid 31   and name  HN  )) 2.932 1.232 4.832 peak  3067 weight  1.00000E+00 volume  3.23563E+05 ppm1      8.741 ppm2      4.520 !3

ASSI {59}   (( resid 31   and name  HN  ))   (( resid 33   and name  HB1 )) 3.038 1.338 5.389 peak  3076 weight  1.00000E+00 volume  2.48774E+05 ppm1      8.750 ppm2      2.216 !3

ASSI {60}   (( resid 54   and name  HN  ))   (( resid 31   and name  HB2 )) 2.914 1.214 4.394 peak  4282 weight  1.00000E+00 volume  3.35611E+05 ppm1      9.935 ppm2      3.060 !3

ASSI {61}   (  resid 33   and name  HD# )   (( resid 32   and name  HN  )) 3.015 1.215 1.215 peak  4196 weight  1.00000E+00 volume  5.68224E+05 ppm1      7.632 ppm2      6.783

ASSI {62}   (( resid 81   and name  HB1 ))   (( resid 32   and name  HN  )) 2.958 1.258 5.388 peak  4210 weight  1.00000E+00 volume  3.23770E+05 ppm1      7.631 ppm2      2.952 !3

ASSI {63}   (( resid 34   and name  HB2 ))   (( resid 33   and name  HN  )) 3.048 1.348 2.948 peak  3610 weight  1.00000E+00 volume  2.36362E+05 ppm1      7.275 ppm2      1.849 !2

ASSI {64}   (( resid 35   and name  HN  ))   (( resid 34   and name  HG  )) 2.623 0.823 0.823 peak  1058 weight  1.00000E+00 volume  9.23081E+05 ppm1      9.604 ppm2      1.725

ASSI {65}   (( resid 35   and name  HA  ))   (( resid 80   and name  HN  )) 3.028 1.328 4.878 peak  2889 weight  1.00000E+00 volume  2.64340E+05 ppm1      7.143 ppm2      4.473 !3

ASSI {66}   (( resid 37   and name  HN  ))   (( resid 36   and name  HN  )) 2.793 1.093 1.663 peak  2178 weight  1.00000E+00 volume  5.22069E+05 ppm1      7.959 ppm2      9.748 !1

ASSI {67}   (( resid 80   and name  HN  ))   (( resid 36   and name  HN  )) 2.96 1.26 3.69 peak  2181 weight  1.00000E+00 volume  3.13826E+05 ppm1      7.947 ppm2      7.115 !2

ASSI {68}   (( resid 79   and name  HN  ))   (( resid 36   and name  HB1 )) 2.81 1.11 5.76 peak  3023 weight  1.00000E+00 volume  5.17523E+05 ppm1      7.867 ppm2      2.040 !3

ASSI {69}   (( resid 79   and name  HB2 ))   (( resid 37   and name  HN  )) 3.003 1.303 3.293 peak  4134 weight  1.00000E+00 volume  2.79037E+05 ppm1      9.783 ppm2      1.934 !3

ASSI {70}   (( resid 37   and name  HN  ))   (( resid 40   and name  HG11)) 3.024 1.324 4.814 peak  5843 weight  1.00000E+00 volume  2.47377E+05 ppm1      9.786 ppm2      1.422 !3

ASSI {71}   (( resid 39   and name  HN  ))   (( resid 40   and name  HG11)) 2.736 1.036 2.175 peak  3126 weight  1.00000E+00 volume  6.61996E+05 ppm1      8.398 ppm2      1.410 !1

ASSI {72}   (( resid 40   and name  HN  ))   (( resid 73   and name  HZ3 )) 2.655 0.955 4.485 peak  2692 weight  1.00000E+00 volume  8.50489E+05 ppm1      9.094 ppm2      6.650 !3

ASSI {73}   (( resid 40   and name  HN  ))   (( resid 67   and name  HA  )) 2.705 1.005 1.565 peak  2699 weight  1.00000E+00 volume  6.96679E+05 ppm1      9.091 ppm2      5.131 !1

ASSI {74}   (( resid 40   and name  HN  ))   (  resid 68   and name  HB# ) 2.995 1.295 3.085 peak  2715 weight  1.00000E+00 volume  2.77326E+05 ppm1      9.105 ppm2      2.112 !2

ASSI {75}   (( resid 40   and name  HN  ))   (( resid 41   and name  HG2 )) 2.96 1.26 2.47 peak  2718 weight  1.00000E+00 volume  3.23940E+05 ppm1      9.086 ppm2      1.313 !1
OR {75}   (( resid 40   and name  HN  ))   (( resid 41   and name  HD2 ))

ASSI {76}   (( resid 41   and name  HB1 ))   (( resid 66   and name  HN  )) 2.806 1.106 2.846 peak  1717 weight  1.00000E+00 volume  5.03208E+05 ppm1      8.326 ppm2      1.757 !1

ASSI {77}   (( resid 41   and name  HB2 ))   (( resid 66   and name  HN  )) 2.856 1.156 3.005 peak  1718 weight  1.00000E+00 volume  4.37211E+05 ppm1      8.323 ppm2      1.662 !2
OR {77}   (( resid 66   and name  HN  ))   (( resid 41   and name  HE1 ))

ASSI {78}   (( resid 66   and name  HN  ))   (( resid 41   and name  HD1 )) 2.979 1.279 5.419 peak  1719 weight  1.00000E+00 volume  2.98113E+05 ppm1      8.324 ppm2      1.429 !3

ASSI {79}   (( resid 67   and name  HN  ))   (( resid 41   and name  HA  )) 2.687 0.887 0.887 peak  2082 weight  1.00000E+00 volume  7.27564E+05 ppm1      9.255 ppm2      4.966

ASSI {80}   (( resid 67   and name  HN  ))   (( resid 41   and name  HG2 )) 2.851 1.05 1.05 peak  2099 weight  1.00000E+00 volume  4.29066E+05 ppm1      9.255 ppm2      1.319
OR {80}   (( resid 41   and name  HD2 ))   (( resid 67   and name  HN  ))

ASSI {81}   (( resid 67   and name  HN  ))   (( resid 41   and name  HG1 )) 2.913 1.213 2.244 peak  2102 weight  1.00000E+00 volume  3.53667E+05 ppm1      9.255 ppm2      0.810 !2

ASSI {82}   (( resid 9    and name  HN  ))   (( resid 41   and name  HG2 )) 2.833 1.133 3.223 peak  2540 weight  1.00000E+00 volume  4.88586E+05 ppm1      8.362 ppm2      1.317 !2
OR {82}   (( resid 9    and name  HN  ))   (( resid 41   and name  HD2 ))

ASSI {83}   (( resid 8    and name  HN  ))   (( resid 41   and name  HG1 )) 3.016 1.316 7.106 peak  2819 weight  1.00000E+00 volume  2.79998E+05 ppm1      8.468 ppm2      0.767 !3

ASSI {84}   (( resid 41   and name  HN  ))   (( resid 67   and name  HN  )) 2.972 1.272 1.972 peak  3614 weight  1.00000E+00 volume  2.98691E+05 ppm1      9.037 ppm2      9.277 !1

ASSI {85}   (( resid 41   and name  HB2 ))   (( resid 41   and name  HN  )) 2.611 0.911 1.331 peak  3639 weight  1.00000E+00 volume  9.37508E+05 ppm1      9.037 ppm2      1.653 !1
OR {85}   (( resid 41   and name  HE1 ))   (( resid 41   and name  HN  ))

ASSI {86}   (( resid 8    and name  HG12))   (( resid 41   and name  HN  )) 3.086 1.386 2.646 peak  3655 weight  1.00000E+00 volume  2.25446E+05 ppm1      9.041 ppm2     -0.808 !2

ASSI {87}   (( resid 42   and name  HN  ))   (( resid 67   and name  HN  )) 2.929 1.229 3.139 peak   425 weight  1.00000E+00 volume  3.58989E+05 ppm1      9.325 ppm2      9.223 !2

ASSI {88}   (( resid 42   and name  HN  ))   (( resid 66   and name  HA  )) 2.562 0.862 1.952 peak   435 weight  1.00000E+00 volume  1.18439E+06 ppm1      9.326 ppm2      4.844 !2

ASSI {89}   (( resid 66   and name  HG1 ))   (( resid 42   and name  HN  )) 3.391 1.691 2.521 peak   442 weight  1.00000E+00 volume  1.07420E+05 ppm1      9.326 ppm2      2.256 !1

ASSI {90}   (( resid 8    and name  HG11))   (( resid 42   and name  HN  )) 3.048 1.348 1.768 peak   616 weight  1.00000E+00 volume  2.56752E+05 ppm1      9.331 ppm2      0.493 !1

ASSI {91}   (( resid 47   and name  HE1 ))   (( resid 42   and name  HN  )) 2.87 1.17 4.241 peak  1518 weight  1.00000E+00 volume  4.22472E+05 ppm1      9.465 ppm2      9.347 !2

ASSI {92}   (( resid 66   and name  HN  ))   (  resid 42   and name  HG1#) 3.307 1.607 4.157 peak  1723 weight  1.00000E+00 volume  3.99775E+05 ppm1      8.331 ppm2      0.698 !3

ASSI {93}   (  resid 42   and name  HG2#)   (( resid 7    and name  HN  )) 3.288 1.588 2.088 peak  2255 weight  1.00000E+00 volume  3.71892E+05 ppm1      8.589 ppm2      1.112 !1

ASSI {94}   (( resid 64   and name  HN  ))   (( resid 42   and name  HN  )) 2.983 1.283 3.943 peak  3177 weight  1.00000E+00 volume  2.87481E+05 ppm1      8.558 ppm2      9.293 !2

ASSI {95}   (( resid 8    and name  HN  ))   (( resid 43   and name  HB2 )) 2.827 1.127 2.786 peak  2812 weight  1.00000E+00 volume  4.74880E+05 ppm1      8.468 ppm2      1.929 !2

ASSI {96}   (( resid 44   and name  HN  ))   (( resid 47   and name  HE1 )) 3.027 1.327 2.888 peak  2208 weight  1.00000E+00 volume  2.61391E+05 ppm1      8.432 ppm2      9.436 !2

ASSI {97}   (( resid 44   and name  HN  ))   (( resid 6    and name  HA  )) 2.69 0.99 2.78 peak  2213 weight  1.00000E+00 volume  7.01015E+05 ppm1      8.441 ppm2      4.553 !2

ASSI {98}   (( resid 44   and name  HN  ))   (  resid 6    and name  HG2#) 3.514 1.814 3.404 peak  2229 weight  1.00000E+00 volume  2.32194E+05 ppm1      8.439 ppm2      0.965 !2

ASSI {99}   (( resid 44   and name  HA2 ))   (( resid 6    and name  HN  )) 2.688 0.988 4.408 peak  4060 weight  1.00000E+00 volume  7.48610E+05 ppm1      8.123 ppm2      4.209 !3

ASSI {100}   (( resid 5    and name  HN  ))   (( resid 45   and name  HA1 )) 2.424 0.724 5.593 peak  1689 weight  1.00000E+00 volume  2.08041E+06 ppm1      8.314 ppm2      3.875 !3

ASSI {101}   (( resid 6    and name  HN  ))   (( resid 45   and name  HA1 )) 2.487 0.787 3.418 peak  4064 weight  1.00000E+00 volume  1.60185E+06 ppm1      8.125 ppm2      3.881 !2

ASSI {102}   (( resid 62   and name  HN  ))   (( resid 46   and name  HA  )) 2.889 1.189 3.51 peak   964 weight  1.00000E+00 volume  3.77846E+05 ppm1      9.645 ppm2      4.863 !2

ASSI {103}   (( resid 64   and name  HG2 ))   (( resid 46   and name  HN  )) 2.84 1.14 3.29 peak  3253 weight  1.00000E+00 volume  4.23849E+05 ppm1      8.068 ppm2      2.278 !1

ASSI {104}   (( resid 47   and name  HB2 ))   (( resid 86   and name  HN  )) 2.992 1.292 2.222 peak   585 weight  1.00000E+00 volume  2.96270E+05 ppm1      8.071 ppm2      2.687 !1

ASSI {105}   (( resid 85   and name  HN  ))   (( resid 47   and name  HA  )) 2.728 1.028 2.747 peak   889 weight  1.00000E+00 volume  6.17476E+05 ppm1      8.236 ppm2      4.845 !2

ASSI {106}   (( resid 47   and name  HE1 ))   (( resid 9    and name  HA  )) 3.032 1.332 5.502 peak  1494 weight  1.00000E+00 volume  2.95996E+05 ppm1      9.466 ppm2      4.649 !3

ASSI {107}   (( resid 9    and name  HN  ))   (( resid 47   and name  HB2 )) 2.995 1.295 4.005 peak  2531 weight  1.00000E+00 volume  2.93248E+05 ppm1      8.351 ppm2      2.637 !2

ASSI {108}   (( resid 47   and name  HZ2 ))   (( resid 6    and name  HN  )) 2.965 1.265 2.515 peak  4056 weight  1.00000E+00 volume  3.05197E+05 ppm1      8.123 ppm2      6.939 !2

ASSI {109}   (( resid 85   and name  HN  ))   (( resid 48   and name  HN  )) 3.111 1.411 1.971 peak   807 weight  1.00000E+00 volume  2.17254E+05 ppm1      9.521 ppm2      8.219 !1

ASSI {110}   (( resid 48   and name  HN  ))   (( resid 49   and name  HA  )) 3.104 1.404 1.904 peak   816 weight  1.00000E+00 volume  2.21545E+05 ppm1      9.519 ppm2      5.376 !1

ASSI {111}   (( resid 49   and name  HN  ))   (  resid 8    and name  HD1#) 3.612 1.812 1.812 peak  4784 weight  1.00000E+00 volume  1.60344E+05 ppm1      9.078 ppm2     -0.109

ASSI {112}   (( resid 57   and name  HN  ))   (( resid 52   and name  HG2 )) 2.71 1.01 4.1 peak  2679 weight  1.00000E+00 volume  6.82958E+05 ppm1      8.430 ppm2      1.393 !3

ASSI {113}   (( resid 52   and name  HN  ))   (( resid 82   and name  HN  )) 3.004 1.304 4.824 peak  3474 weight  1.00000E+00 volume  2.67410E+05 ppm1      8.266 ppm2      7.666 !4

ASSI {114}   (( resid 55   and name  HN  ))   (( resid 52   and name  HN  )) 3.131 1.431 3.462 peak  3475 weight  1.00000E+00 volume  2.08623E+05 ppm1      8.270 ppm2      7.449 !2

ASSI {115}   (( resid 52   and name  HN  ))   (  resid 58   and name  HD# ) 3.282 1.582 3.752 peak  3476 weight  1.00000E+00 volume  2.61691E+05 ppm1      8.268 ppm2      7.187 !3

ASSI {116}   (( resid 52   and name  HN  ))   (( resid 52   and name  HE  )) 2.857 1.157 2.037 peak  3477 weight  1.00000E+00 volume  4.36420E+05 ppm1      8.267 ppm2      7.014 !1

ASSI {117}   (( resid 52   and name  HN  ))   (( resid 59   and name  HA  )) 3.13 1.43 3.52 peak  3488 weight  1.00000E+00 volume  1.90294E+05 ppm1      8.269 ppm2      5.081 !2

ASSI {118}   (( resid 52   and name  HG2 ))   (( resid 52   and name  HN  )) 2.364 0.664 2.124 peak  3508 weight  1.00000E+00 volume  2.42873E+06 ppm1      8.264 ppm2      1.447 !2

ASSI {119}   (( resid 55   and name  HN  ))   (( resid 83   and name  HN  )) 3.022 1.322 6.352 peak  1419 weight  1.00000E+00 volume  2.58163E+05 ppm1      7.423 ppm2      9.718 !4

ASSI {120}   (( resid 57   and name  HN  ))   (( resid 58   and name  HA  )) 2.933 1.233 3.473 peak  2666 weight  1.00000E+00 volume  3.15793E+05 ppm1      8.439 ppm2      4.199 !2

ASSI {121}   (( resid 62   and name  HN  ))   (( resid 8    and name  HG11)) 3.066 1.366 6.276 peak   980 weight  1.00000E+00 volume  2.31174E+05 ppm1      9.647 ppm2      0.546 !3

ASSI {122}   (  resid 62   and name  HD2#)   (( resid 9    and name  HN  )) 3.307 1.607 3.417 peak  2547 weight  1.00000E+00 volume  3.88693E+05 ppm1      8.361 ppm2     -0.216 !2

ASSI {123}   (  resid 62   and name  HD1#)   (( resid 64   and name  HN  )) 3.466 1.766 4.366 peak  3207 weight  1.00000E+00 volume  2.60115E+05 ppm1      8.558 ppm2      0.244 !2

ASSI {124}   (( resid 63   and name  HD1 ))   (( resid 65   and name  HN  )) 2.723 1.023 5.193 peak  2161 weight  1.00000E+00 volume  5.30698E+05 ppm1      8.659 ppm2      4.131 !2

ASSI {125}   (( resid 64   and name  HE22))   (( resid 65   and name  HN  )) 3.188 1.488 2.038 peak  1097 weight  1.00000E+00 volume  1.62804E+05 ppm1      6.918 ppm2      8.634 !1

ASSI {126}   (( resid 64   and name  HB1 ))   (( resid 7    and name  HN  )) 3.056 1.356 5.396 peak  2249 weight  1.00000E+00 volume  2.32247E+05 ppm1      8.580 ppm2      1.990 !3

ASSI {127}   (( resid 65   and name  HN  ))   (  resid 67   and name  HD# ) 3.395 1.695 2.305 peak  2153 weight  1.00000E+00 volume  2.01266E+05 ppm1      8.659 ppm2      7.075 !1

ASSI {128}   (( resid 65   and name  HN  ))   (( resid 67   and name  HB2 )) 2.877 1.177 4.807 peak  2163 weight  1.00000E+00 volume  3.63881E+05 ppm1      8.649 ppm2      3.791 !2

ASSI {129}   (( resid 68   and name  HA  ))   (( resid 67   and name  HN  )) 3.069 1.269 1.269 peak  2088 weight  1.00000E+00 volume  2.14903E+05 ppm1      9.256 ppm2      3.706

ASSI {130}   (( resid 69   and name  HN  ))   (( resid 67   and name  HB1 )) 2.801 1.002 1.002 peak  2497 weight  1.00000E+00 volume  5.13201E+05 ppm1      6.915 ppm2      3.253

ASSI {131}   (( resid 73   and name  HN  ))   (( resid 67   and name  HA  )) 2.866 1.166 4.136 peak  3400 weight  1.00000E+00 volume  4.45038E+05 ppm1      7.279 ppm2      5.182 !4

ASSI {132}   (( resid 70   and name  HN  ))   (( resid 69   and name  HA  )) 2.401 0.701 1.401 peak  1523 weight  1.00000E+00 volume  2.13014E+06 ppm1      8.407 ppm2      5.353 !1

ASSI {133}   (( resid 69   and name  HN  ))   (( resid 72   and name  HE  )) 2.796 1.096 3.807 peak  2478 weight  1.00000E+00 volume  4.92419E+05 ppm1      6.918 ppm2      7.703 !4

ASSI {134}   (( resid 69   and name  HA  ))   (( resid 72   and name  HN  )) 3.052 1.352 1.972 peak  4035 weight  1.00000E+00 volume  2.18493E+05 ppm1      8.039 ppm2      5.351 !1

ASSI {135}   (( resid 75   and name  HN  ))   (  resid 70   and name  HE# ) 3.286 1.586 3.226 peak   173 weight  1.00000E+00 volume  2.72078E+05 ppm1      7.559 ppm2      6.495 !2

ASSI {136}   (( resid 77   and name  HN  ))   (  resid 70   and name  HE# ) 2.963 1.263 3.303 peak  2338 weight  1.00000E+00 volume  6.30292E+05 ppm1      7.305 ppm2      6.496 !3

ASSI {137}   (( resid 72   and name  HN  ))   (  resid 70   and name  HD# ) 3.314 1.614 2.674 peak  4034 weight  1.00000E+00 volume  2.42666E+05 ppm1      8.016 ppm2      6.608 !1

ASSI {138}   (( resid 71   and name  HN  ))   (  resid 70   and name  HE# ) 2.961 1.161 1.161 peak  4356 weight  1.00000E+00 volume  6.07264E+05 ppm1      8.517 ppm2      6.561
OR {138}   (( resid 71   and name  HN  ))   (  resid 70   and name  HD# )

ASSI {139}   (( resid 71   and name  HA  ))   (( resid 77   and name  HN  )) 2.947 1.247 3.717 peak  2344 weight  1.00000E+00 volume  3.13740E+05 ppm1      7.313 ppm2      3.800 !1

ASSI {140}   (( resid 72   and name  HN  ))   (( resid 71   and name  HE21)) 2.886 1.186 2.997 peak  4033 weight  1.00000E+00 volume  3.86570E+05 ppm1      8.024 ppm2      7.145 !3

ASSI {141}   (( resid 71   and name  HN  ))   (( resid 74   and name  HN  )) 3.079 1.379 2.969 peak  4350 weight  1.00000E+00 volume  2.25930E+05 ppm1      8.523 ppm2      7.683 !2

ASSI {142}   (( resid 72   and name  HN  ))   (( resid 72   and name  HE  )) 2.772 1.072 2.742 peak  4028 weight  1.00000E+00 volume  5.42079E+05 ppm1      8.023 ppm2      7.692 !2

ASSI {143}   (( resid 73   and name  HE3 ))   (( resid 79   and name  HN  )) 3.105 1.405 5.575 peak  3007 weight  1.00000E+00 volume  2.10237E+05 ppm1      7.883 ppm2      6.396 !2

ASSI {144}   (( resid 74   and name  HN  ))   (( resid 73   and name  HA  )) 2.752 0.9515 0.9515 peak  4145 weight  1.00000E+00 volume  6.58656E+05 ppm1      7.652 ppm2      5.290

ASSI {145}   (( resid 73   and name  HA  ))   (( resid 73   and name  HE1 )) 3.019 1.319 3.389 peak  5283 weight  1.00000E+00 volume  2.48818E+05 ppm1      9.986 ppm2      5.292 !2

ASSI {146}   (( resid 76   and name  HN  ))   (( resid 76   and name  HA  )) 2.716 0.9155 0.9155 peak  5403 weight  1.00000E+00 volume  7.13268E+05 ppm1      7.543 ppm2      4.321

ASSI {147}   (( resid 79   and name  HA  ))   (( resid 79   and name  HN  )) 2.4 0.6 0.6 peak  3010 weight  1.00000E+00 volume  2.15922E+06 ppm1      7.874 ppm2      4.673

ASSI {148}   (( resid 80   and name  HN  ))   (( resid 82   and name  HN  )) 3.141 1.441 4.501 peak  2880 weight  1.00000E+00 volume  1.83170E+05 ppm1      7.141 ppm2      7.661 !2

ASSI {149}   (( resid 83   and name  HA  ))   (( resid 82   and name  HN  )) 3.174 1.474 2.414 peak  4931 weight  1.00000E+00 volume  1.65762E+05 ppm1      7.654 ppm2      6.438 !1

ASSI {150}   (( resid 85   and name  HN  ))   (  resid 84   and name  HG# ) 2.78 1.08 2.08 peak   895 weight  1.00000E+00 volume  5.59086E+05 ppm1      8.234 ppm2      1.310 !1

ASSI {151}   (( resid 85   and name  HN  ))   (( resid 84   and name  HN  )) 3.027 1.227 1.227 peak  5105 weight  1.00000E+00 volume  2.51129E+05 ppm1      8.227 ppm2     10.094

ASSI {152}   (( resid 85   and name  HN  ))   (( resid 86   and name  HB  )) 2.656 0.956 4.266 peak   894 weight  1.00000E+00 volume  8.30597E+05 ppm1      8.236 ppm2      1.579 !2

ASSI {153}   (( resid 85   and name  HN  ))   (  resid 86   and name  HG1#) 3.527 1.827 3.927 peak   898 weight  1.00000E+00 volume  2.24166E+05 ppm1      8.235 ppm2      0.674 !2

ASSI {154}   (( resid 90   and name  HN  ))   (  resid 87   and name  HB# ) 3.091 1.391 4.371 peak  1768 weight  1.00000E+00 volume  2.34412E+05 ppm1      8.702 ppm2      3.037 !1

ASSI {155}   (( resid 90   and name  HN  ))   (  resid 89   and name  HD# ) 2.869 1.169 2.319 peak  1767 weight  1.00000E+00 volume  4.15703E+05 ppm1      8.704 ppm2      3.642 !2

ASSI {156}   (( resid 90   and name  HA  ))   (( resid 90   and name  HN  )) 2.482 0.682 0.682 peak  1759 weight  1.00000E+00 volume  1.50307E+06 ppm1      8.701 ppm2      4.383

ASSI {157}   (( resid 93   and name  HN  ))   (( resid 94   and name  HN  )) 2.754 1.054 1.664 peak  1570 weight  1.00000E+00 volume  5.95698E+05 ppm1      7.819 ppm2      8.331 !1

ASSI {158}   (( resid 99   and name  HN  ))   (( resid 96   and name  HG11)) 2.997 1.297 4.687 peak  2439 weight  1.00000E+00 volume  2.84119E+05 ppm1      8.090 ppm2      0.176 !3

ASSI {159}   (( resid 96   and name  HN  ))   (( resid 96   and name  HB  )) 2.909 1.209 1.899 peak  4618 weight  1.00000E+00 volume  3.65794E+05 ppm1      9.049 ppm2      0.034 !1

ASSI {160}   (( resid 97   and name  HN  ))   (  resid 96   and name  HG2#) 3.454 1.654 1.654 peak  4880 weight  1.00000E+00 volume  2.57851E+05 ppm1      8.859 ppm2     -0.474

ASSI {161}   (( resid 97   and name  HN  ))   (( resid 99   and name  HN  )) 2.928 1.228 3.967 peak  2394 weight  1.00000E+00 volume  3.31835E+05 ppm1      8.080 ppm2      8.835 !2

ASSI {162}   (( resid 106  and name  HN  ))   (( resid 100  and name  HA  )) 3.066 1.366 4.505 peak   324 weight  1.00000E+00 volume  2.28503E+05 ppm1      8.373 ppm2      4.333 !2

ASSI {163}   (( resid 100  and name  HN  ))   (  resid 99   and name  HB# ) 2.745 0.9455 0.9455 peak  1968 weight  1.00000E+00 volume  5.93946E+05 ppm1      8.929 ppm2      3.367

ASSI {164}   (( resid 100  and name  HN  ))   (( resid 107  and name  HN  )) 2.696 0.896 0.896 peak  3801 weight  1.00000E+00 volume  7.32057E+05 ppm1      8.766 ppm2      8.911

ASSI {165}   (( resid 102  and name  HN  ))   (( resid 100  and name  HA  )) 2.911 1.211 3.571 peak  4669 weight  1.00000E+00 volume  3.78470E+05 ppm1      8.600 ppm2      4.378 !2

ASSI {166}   (( resid 106  and name  HN  ))   (( resid 101  and name  HG2 )) 3.159 1.459 2.848 peak   333 weight  1.00000E+00 volume  1.95661E+05 ppm1      8.378 ppm2      1.309 !2

ASSI {167}   (( resid 101  and name  HN  ))   (( resid 99   and name  HN  )) 2.963 1.263 2.483 peak   495 weight  1.00000E+00 volume  3.10359E+05 ppm1      7.877 ppm2      8.058 !2

ASSI {168}   (( resid 101  and name  HN  ))   (  resid 99   and name  HD# ) 3.359 1.559 1.559 peak   634 weight  1.00000E+00 volume  2.14581E+05 ppm1      7.885 ppm2      6.673

ASSI {169}   (( resid 99   and name  HN  ))   (( resid 101  and name  HG1 )) 2.898 1.198 4.828 peak  2434 weight  1.00000E+00 volume  3.76476E+05 ppm1      8.080 ppm2      1.148 !3

ASSI {170}   (( resid 108  and name  HN  ))   (( resid 101  and name  HG2 )) 3.075 1.375 6.916 peak  4707 weight  1.00000E+00 volume  2.28752E+05 ppm1      7.755 ppm2      1.313 !3

ASSI {171}   (( resid 129  and name  HN  ))   (( resid 102  and name  HN  )) 2.882 1.182 2.822 peak  4659 weight  1.00000E+00 volume  4.02238E+05 ppm1      8.596 ppm2      7.994 !2

ASSI {172}   (( resid 102  and name  HN  ))   (( resid 128  and name  HD2 )) 3.08 1.28 1.28 peak  4662 weight  1.00000E+00 volume  2.15300E+05 ppm1      8.597 ppm2      7.273

ASSI {173}   (( resid 129  and name  HB2 ))   (( resid 102  and name  HN  )) 2.971 1.271 3.381 peak  4672 weight  1.00000E+00 volume  3.04627E+05 ppm1      8.599 ppm2      4.262 !2

ASSI {174}   (( resid 106  and name  HA1 ))   (( resid 102  and name  HN  )) 2.986 1.286 5.316 peak  4673 weight  1.00000E+00 volume  3.05206E+05 ppm1      8.600 ppm2      4.137 !3

ASSI {175}   (( resid 102  and name  HN  ))   (( resid 126  and name  HB2 )) 3.054 1.354 4.524 peak  4683 weight  1.00000E+00 volume  2.42880E+05 ppm1      8.595 ppm2      2.137 !3

ASSI {176}   (( resid 102  and name  HN  ))   (( resid 159  and name  HB1 )) 2.983 1.283 5.063 peak  4684 weight  1.00000E+00 volume  2.96794E+05 ppm1      8.605 ppm2      1.918 !4

ASSI {177}   (( resid 104  and name  HN  ))   (( resid 103  and name  HB2 )) 2.708 1.008 2.568 peak  3049 weight  1.00000E+00 volume  6.68140E+05 ppm1      7.911 ppm2      2.618 !2

ASSI {178}   (( resid 104  and name  HA  ))   (( resid 106  and name  HN  )) 2.941 1.241 3.53 peak   589 weight  1.00000E+00 volume  3.34006E+05 ppm1      8.376 ppm2      2.555 !2

ASSI {179}   (( resid 130  and name  HN  ))   (  resid 104  and name  HD# ) 3.261 1.462 1.462 peak   682 weight  1.00000E+00 volume  2.76227E+05 ppm1      9.953 ppm2      6.569

ASSI {180}   (( resid 129  and name  HB2 ))   (( resid 104  and name  HN  )) 2.967 1.267 1.757 peak  3042 weight  1.00000E+00 volume  3.08641E+05 ppm1      7.904 ppm2      4.260 !1

ASSI {181}   (( resid 105  and name  HN  ))   (  resid 99   and name  HD# ) 3.173 1.373 1.373 peak   839 weight  1.00000E+00 volume  3.41689E+05 ppm1      6.474 ppm2      6.674

ASSI {182}   (( resid 105  and name  HN  ))   (( resid 129  and name  HN  )) 2.84 1.14 2.91 peak   843 weight  1.00000E+00 volume  4.68235E+05 ppm1      6.475 ppm2      8.042 !2

ASSI {183}   (( resid 107  and name  HN  ))   (( resid 105  and name  HA  )) 3.07 1.37 3.99 peak  3808 weight  1.00000E+00 volume  2.35455E+05 ppm1      8.763 ppm2      4.911 !2

ASSI {184}   (( resid 109  and name  HN  ))   (( resid 107  and name  HA  )) 3.076 1.376 3.156 peak  4305 weight  1.00000E+00 volume  2.19153E+05 ppm1      8.228 ppm2      3.885 !2

ASSI {185}   (( resid 111  and name  HN  ))   (  resid 108  and name  HE# ) 3.331 1.631 3.591 peak  1009 weight  1.00000E+00 volume  2.95461E+05 ppm1      8.868 ppm2      1.809 !2

ASSI {186}   (( resid 110  and name  HN  ))   (( resid 108  and name  HN  )) 3.099 1.399 4.17 peak  5511 weight  1.00000E+00 volume  2.18248E+05 ppm1      8.791 ppm2      7.713 !1

ASSI {187}   (( resid 110  and name  HN  ))   (( resid 97   and name  HA  )) 2.888 1.188 2.258 peak  2771 weight  1.00000E+00 volume  3.79298E+05 ppm1      8.796 ppm2      5.128 !2

ASSI {188}   (( resid 110  and name  HN  ))   (( resid 97   and name  HG2 )) 2.899 1.199 2.179 peak  2780 weight  1.00000E+00 volume  3.73811E+05 ppm1      8.809 ppm2      2.220 !1

ASSI {189}   (( resid 110  and name  HN  ))   (( resid 97   and name  HG1 )) 2.689 0.989 3.269 peak  2781 weight  1.00000E+00 volume  6.78617E+05 ppm1      8.805 ppm2      2.126 !2

ASSI {190}   (( resid 110  and name  HN  ))   (( resid 98   and name  HG11)) 2.881 1.181 3.401 peak  2788 weight  1.00000E+00 volume  4.10655E+05 ppm1      8.807 ppm2      0.743 !3

ASSI {191}   (  resid 173  and name  HE# )   (( resid 111  and name  HN  )) 3.216 1.516 3.267 peak   991 weight  1.00000E+00 volume  3.14810E+05 ppm1      8.868 ppm2      7.233 !2

ASSI {192}   (( resid 111  and name  HN  ))   (( resid 98   and name  HG12)) 2.849 1.149 4.59 peak  1010 weight  1.00000E+00 volume  4.33443E+05 ppm1      8.862 ppm2      1.337 !3

ASSI {193}   (( resid 113  and name  HN  ))   (( resid 111  and name  HN  )) 3.124 1.424 2.644 peak  1216 weight  1.00000E+00 volume  1.98959E+05 ppm1      8.455 ppm2      8.892 !1

ASSI {194}   (( resid 113  and name  HN  ))   (( resid 111  and name  HB  )) 2.941 1.241 3.97 peak  5721 weight  1.00000E+00 volume  3.38248E+05 ppm1      8.462 ppm2      4.373 !2

ASSI {195}   (( resid 112  and name  HN  ))   (( resid 112  and name  HB  )) 2.828 1.028 1.028 peak   196 weight  1.00000E+00 volume  4.83828E+05 ppm1      8.168 ppm2      4.934

ASSI {196}   (( resid 112  and name  HN  ))   (( resid 114  and name  HA  )) 2.945 1.245 5.585 peak   197 weight  1.00000E+00 volume  3.56275E+05 ppm1      8.168 ppm2      4.810 !2

ASSI {197}   (( resid 121  and name  HE22))   (( resid 113  and name  HN  )) 2.829 1.129 3.839 peak  1221 weight  1.00000E+00 volume  4.41275E+05 ppm1      8.449 ppm2      6.772 !2

ASSI {198}   (( resid 113  and name  HN  ))   (  resid 175  and name  HG# ) 2.879 1.179 5.039 peak  1244 weight  1.00000E+00 volume  3.97131E+05 ppm1      8.451 ppm2      0.572 !3

ASSI {199}   (( resid 114  and name  HN  ))   (( resid 137  and name  HZ2 )) 2.995 1.295 5.215 peak  3433 weight  1.00000E+00 volume  2.92034E+05 ppm1      8.339 ppm2      7.085 !4

ASSI {200}   (( resid 114  and name  HN  ))   (  resid 173  and name  HD# ) 3.075 1.375 3.045 peak  3435 weight  1.00000E+00 volume  4.43217E+05 ppm1      8.341 ppm2      6.955 !2

ASSI {201}   (( resid 114  and name  HN  ))   (( resid 116  and name  HD1 )) 3.077 1.377 2.907 peak  3449 weight  1.00000E+00 volume  2.24675E+05 ppm1      8.338 ppm2      3.438 !2

ASSI {202}   (( resid 115  and name  HB1 ))   (( resid 114  and name  HN  )) 3.046 1.346 4.396 peak  3463 weight  1.00000E+00 volume  2.47428E+05 ppm1      8.344 ppm2      1.006 !2

ASSI {203}   (( resid 114  and name  HN  ))   (( resid 175  and name  HB2 )) 2.938 1.238 5.718 peak  3465 weight  1.00000E+00 volume  3.39135E+05 ppm1      8.339 ppm2      0.780 !3

ASSI {204}   (( resid 117  and name  HN  ))   (( resid 114  and name  HB2 )) 2.928 1.228 4.887 peak  4405 weight  1.00000E+00 volume  3.47049E+05 ppm1      7.175 ppm2      2.514 !4

ASSI {205}   (( resid 120  and name  HN  ))   (( resid 117  and name  HN  )) 2.876 1.176 2.956 peak  3146 weight  1.00000E+00 volume  4.24700E+05 ppm1      7.672 ppm2      7.156 !2

ASSI {206}   (( resid 121  and name  HE22))   (( resid 117  and name  HN  )) 2.823 1.123 4.523 peak  4378 weight  1.00000E+00 volume  5.01444E+05 ppm1      7.177 ppm2      6.826 !3

ASSI {207}   (( resid 144  and name  HB2 ))   (( resid 117  and name  HN  )) 3.069 1.369 4.918 peak  4404 weight  1.00000E+00 volume  2.38250E+05 ppm1      7.169 ppm2      2.740 !2

ASSI {208}   (( resid 117  and name  HN  ))   (( resid 120  and name  HG2 )) 2.878 1.178 3.938 peak  4407 weight  1.00000E+00 volume  3.98231E+05 ppm1      7.179 ppm2      2.194 !4

ASSI {209}   (( resid 117  and name  HN  ))   (( resid 120  and name  HG1 )) 2.803 1.103 3.683 peak  4408 weight  1.00000E+00 volume  5.22422E+05 ppm1      7.175 ppm2      2.283 !3

ASSI {210}   (( resid 118  and name  HN  ))   (( resid 171  and name  HA  )) 2.933 1.133 1.133 peak  2308 weight  1.00000E+00 volume  3.54469E+05 ppm1      8.678 ppm2      4.780

ASSI {211}   (( resid 118  and name  HN  ))   (( resid 125  and name  HA  )) 3.096 1.396 4.156 peak  2310 weight  1.00000E+00 volume  2.28309E+05 ppm1      8.680 ppm2      4.410 !3

ASSI {212}   (( resid 118  and name  HN  ))   (( resid 119  and name  HA  )) 3.056 1.356 2.196 peak  2312 weight  1.00000E+00 volume  2.37626E+05 ppm1      8.678 ppm2      4.288 !1

ASSI {213}   (( resid 118  and name  HN  ))   (( resid 143  and name  HB2 )) 2.95 1.25 2.88 peak  2317 weight  1.00000E+00 volume  3.19995E+05 ppm1      8.690 ppm2      2.469 !1

ASSI {214}   (( resid 118  and name  HN  ))   (  resid 143  and name  HG# ) 3.047 1.347 2.837 peak  2320 weight  1.00000E+00 volume  2.56427E+05 ppm1      8.685 ppm2      2.064 !2

ASSI {215}   (  resid 122  and name  HD# )   (( resid 119  and name  HN  )) 3.217 1.517 4.017 peak  2943 weight  1.00000E+00 volume  3.13810E+05 ppm1      8.955 ppm2      6.610 !3

ASSI {216}   (( resid 119  and name  HN  ))   (( resid 143  and name  HA  )) 2.99 1.29 3.46 peak  2951 weight  1.00000E+00 volume  2.97944E+05 ppm1      8.961 ppm2      4.124 !3

ASSI {217}   (( resid 121  and name  HA  ))   (( resid 119  and name  HN  )) 2.998 1.298 4.518 peak  2953 weight  1.00000E+00 volume  2.78438E+05 ppm1      8.960 ppm2      3.843 !3

ASSI {218}   (( resid 120  and name  HN  ))   (( resid 123  and name  HN  )) 2.734 1.034 1.714 peak  1358 weight  1.00000E+00 volume  7.53131E+05 ppm1      7.488 ppm2      7.705 !1

ASSI {219}   (( resid 120  and name  HN  ))   (( resid 122  and name  HN  )) 2.696 0.996 1.686 peak  3138 weight  1.00000E+00 volume  6.89734E+05 ppm1      7.670 ppm2      7.806 !1

ASSI {220}   (( resid 120  and name  HN  ))   (( resid 123  and name  HE1 )) 3.048 1.348 3.538 peak  3143 weight  1.00000E+00 volume  2.56882E+05 ppm1      7.676 ppm2      8.523 !3

ASSI {221}   (( resid 120  and name  HN  ))   (  resid 143  and name  HD# ) 2.874 1.174 5.934 peak  3158 weight  1.00000E+00 volume  4.28768E+05 ppm1      7.673 ppm2      3.643 !4

ASSI {222}   (( resid 123  and name  HN  ))   (( resid 121  and name  HG1 )) 2.918 1.218 2.949 peak  1386 weight  1.00000E+00 volume  3.70687E+05 ppm1      7.495 ppm2      1.153 !2

ASSI {223}   (  resid 122  and name  HD# )   (( resid 122  and name  HN  )) 2.987 1.188 1.188 peak   907 weight  1.00000E+00 volume  5.78243E+05 ppm1      7.839 ppm2      6.604

ASSI {224}   (( resid 122  and name  HN  ))   (  resid 124  and name  HE# ) 3.271 1.571 3.79 peak   921 weight  1.00000E+00 volume  4.23680E+05 ppm1      7.841 ppm2      2.059 !2

ASSI {225}   (( resid 173  and name  HN  ))   (  resid 122  and name  HD# ) 2.849 1.149 4.469 peak  1620 weight  1.00000E+00 volume  8.72340E+05 ppm1      8.936 ppm2      6.602 !2

ASSI {226}   (  resid 122  and name  HD# )   (( resid 124  and name  HN  )) 3.248 1.449 1.449 peak  3300 weight  1.00000E+00 volume  2.86723E+05 ppm1      6.927 ppm2      6.605

ASSI {227}   (( resid 125  and name  HN  ))   (  resid 124  and name  HE# ) 3.07 1.37 2.88 peak  3675 weight  1.00000E+00 volume  6.95528E+05 ppm1      8.874 ppm2      2.057 !2

ASSI {228}   (( resid 170  and name  HN  ))   (( resid 125  and name  HA  )) 2.679 0.979 3.849 peak   745 weight  1.00000E+00 volume  7.56127E+05 ppm1      7.296 ppm2      4.365 !3

ASSI {229}   (( resid 127  and name  HN  ))   (( resid 125  and name  HB2 )) 2.967 1.267 3.617 peak  1075 weight  1.00000E+00 volume  2.92269E+05 ppm1      8.135 ppm2      1.869 !1

ASSI {230}   (( resid 125  and name  HN  ))   (( resid 171  and name  HE22)) 3.061 1.361 3.52 peak  3661 weight  1.00000E+00 volume  2.45352E+05 ppm1      8.871 ppm2      7.081 !3

ASSI {231}   (( resid 127  and name  HN  ))   (( resid 126  and name  HB2 )) 2.564 0.864 2.244 peak  1073 weight  1.00000E+00 volume  1.13985E+06 ppm1      8.127 ppm2      2.093 !2

ASSI {232}   (( resid 171  and name  HE22))   (( resid 126  and name  HN  )) 2.954 1.254 3.954 peak  1657 weight  1.00000E+00 volume  3.06702E+05 ppm1      7.607 ppm2      7.086 !4

ASSI {233}   (( resid 170  and name  HB  ))   (( resid 126  and name  HN  )) 2.817 1.117 6.167 peak  1673 weight  1.00000E+00 volume  5.13571E+05 ppm1      7.610 ppm2      1.581 !3

ASSI {234}   (( resid 169  and name  HN  ))   (( resid 126  and name  HB2 )) 2.949 1.249 2.429 peak  2461 weight  1.00000E+00 volume  3.42899E+05 ppm1      7.466 ppm2      2.083 !2

ASSI {235}   (( resid 129  and name  HN  ))   (( resid 127  and name  HG11)) 2.762 1.062 3.672 peak  1340 weight  1.00000E+00 volume  6.01534E+05 ppm1      8.019 ppm2      0.876 !3

ASSI {236}   (( resid 127  and name  HG11))   (( resid 99   and name  HN  )) 2.918 1.218 2.978 peak  2435 weight  1.00000E+00 volume  3.56566E+05 ppm1      8.085 ppm2      0.870 !2

ASSI {237}   (( resid 127  and name  HN  ))   (( resid 169  and name  HN  )) 3.147 1.447 2.127 peak  2444 weight  1.00000E+00 volume  1.93535E+05 ppm1      7.468 ppm2      8.106 !1

ASSI {238}   (( resid 97   and name  HN  ))   (  resid 127  and name  HG2#) 3.508 1.808 3.348 peak  4874 weight  1.00000E+00 volume  2.38983E+05 ppm1      8.858 ppm2      0.985 !2

ASSI {239}   (( resid 170  and name  HN  ))   (( resid 128  and name  HA  )) 3.029 1.329 4.189 peak   742 weight  1.00000E+00 volume  2.56872E+05 ppm1      7.289 ppm2      4.714 !3

ASSI {240}   (( resid 129  and name  HN  ))   (  resid 98   and name  HG2#) 3.29 1.49 1.49 peak  1342 weight  1.00000E+00 volume  3.93487E+05 ppm1      8.020 ppm2      0.436

ASSI {241}   (( resid 129  and name  HB2 ))   (( resid 99   and name  HN  )) 2.986 1.286 2.776 peak  2415 weight  1.00000E+00 volume  2.89799E+05 ppm1      8.082 ppm2      4.310 !2

ASSI {242}   (( resid 130  and name  HN  ))   (( resid 158  and name  HN  )) 3.075 1.375 3.546 peak   675 weight  1.00000E+00 volume  2.33349E+05 ppm1      9.938 ppm2      8.999 !3

ASSI {243}   (( resid 130  and name  HN  ))   (( resid 130  and name  HA  )) 3.213 1.413 1.413 peak   685 weight  1.00000E+00 volume  1.57439E+05 ppm1      9.952 ppm2      5.835

ASSI {244}   (( resid 130  and name  HN  ))   (  resid 131  and name  HD# ) 3.091 1.391 2.771 peak   698 weight  1.00000E+00 volume  2.25142E+05 ppm1      9.953 ppm2      1.660 !2
OR {244}   (( resid 130  and name  HN  ))   (( resid 131  and name  HB2 ))

ASSI {245}   (( resid 130  and name  HN  ))   (( resid 99   and name  HN  )) 3.248 1.548 1.949 peak  2395 weight  1.00000E+00 volume  1.40037E+05 ppm1      8.092 ppm2      9.975 !1

ASSI {246}   (( resid 97   and name  HN  ))   (( resid 131  and name  HA  )) 3.122 1.422 2.622 peak  4861 weight  1.00000E+00 volume  1.97057E+05 ppm1      8.854 ppm2      5.253 !2

ASSI {247}   (  resid 136  and name  HG1#)   (( resid 177  and name  HN  )) 3.532 1.832 4.302 peak   545 weight  1.00000E+00 volume  2.23086E+05 ppm1      8.074 ppm2      1.001 !3

ASSI {248}   (  resid 136  and name  HG1#)   (( resid 87   and name  HN  )) 3.179 1.479 1.91 peak  3287 weight  1.00000E+00 volume  5.18050E+05 ppm1      8.670 ppm2      0.957 !1

ASSI {249}   (( resid 176  and name  HN  ))   (( resid 137  and name  HD1 )) 2.968 1.268 3.867 peak   342 weight  1.00000E+00 volume  3.09928E+05 ppm1      7.879 ppm2      6.935 !2
OR {249}   (( resid 176  and name  HN  ))   (( resid 137  and name  HH2 ))

ASSI {250}   (( resid 96   and name  HA  ))   (( resid 137  and name  HE1 )) 3.015 1.315 4.755 peak   950 weight  1.00000E+00 volume  2.61368E+05 ppm1      9.055 ppm2      4.514 !2

ASSI {251}   (( resid 137  and name  HZ2 ))   (( resid 140  and name  HN  )) 2.961 1.261 5.141 peak  3970 weight  1.00000E+00 volume  3.09501E+05 ppm1      8.958 ppm2      7.087 !2

ASSI {252}   (( resid 142  and name  HN  ))   (  resid 138  and name  HG2#) 3.426 1.726 3.496 peak  3267 weight  1.00000E+00 volume  2.73024E+05 ppm1      8.071 ppm2      0.353 !2

ASSI {253}   (( resid 173  and name  HN  ))   (( resid 139  and name  HA  )) 3.067 1.367 2.777 peak  1623 weight  1.00000E+00 volume  2.45694E+05 ppm1      8.933 ppm2      5.504 !2

ASSI {254}   (( resid 139  and name  HN  ))   (( resid 151  and name  HA  )) 3.024 1.324 2.334 peak  1991 weight  1.00000E+00 volume  2.55762E+05 ppm1      8.954 ppm2      4.606 !2

ASSI {255}   (( resid 139  and name  HN  ))   (  resid 170  and name  HG1#) 3.378 1.678 3.979 peak  2003 weight  1.00000E+00 volume  3.24347E+05 ppm1      8.964 ppm2      0.448 !3

ASSI {256}   (( resid 151  and name  HN  ))   (( resid 139  and name  HB2 )) 2.967 1.267 4.067 peak  2845 weight  1.00000E+00 volume  2.98982E+05 ppm1      8.282 ppm2      3.021 !3

ASSI {257}   (( resid 139  and name  HB2 ))   (( resid 165  and name  HN  )) 3.065 1.365 5.095 peak  4842 weight  1.00000E+00 volume  2.37062E+05 ppm1      7.110 ppm2      3.020 !2

ASSI {258}   (( resid 145  and name  HN  ))   (  resid 140  and name  HD# ) 3.364 1.564 1.564 peak  3763 weight  1.00000E+00 volume  2.12787E+05 ppm1      7.872 ppm2      7.142

ASSI {259}   (( resid 146  and name  HN  ))   (( resid 140  and name  HA  )) 2.998 1.298 2.678 peak  3872 weight  1.00000E+00 volume  2.91836E+05 ppm1      6.141 ppm2      5.790 !1

ASSI {260}   (( resid 140  and name  HN  ))   (  resid 173  and name  HD# ) 3.27 1.57 2.88 peak  3968 weight  1.00000E+00 volume  2.83310E+05 ppm1      8.958 ppm2      7.013 !1

ASSI {261}   (( resid 140  and name  HN  ))   (( resid 174  and name  HA  )) 2.942 1.242 4.862 peak  3977 weight  1.00000E+00 volume  3.30276E+05 ppm1      8.963 ppm2      5.224 !3

ASSI {262}   (( resid 150  and name  HN  ))   (  resid 140  and name  HE# ) 3.374 1.674 3.124 peak  4427 weight  1.00000E+00 volume  2.09305E+05 ppm1      8.740 ppm2      6.612 !1

ASSI {263}   (( resid 150  and name  HN  ))   (( resid 140  and name  HA  )) 2.979 1.279 1.709 peak  4429 weight  1.00000E+00 volume  2.99225E+05 ppm1      8.740 ppm2      5.792 !1

ASSI {264}   (( resid 141  and name  HN  ))   (( resid 173  and name  HB2 )) 3.402 1.702 5.552 peak    50 weight  1.00000E+00 volume  1.02099E+05 ppm1      9.239 ppm2      3.535 !3

ASSI {265}   (( resid 141  and name  HN  ))   (( resid 147  and name  HA2 )) 3.027 1.327 1.867 peak   540 weight  1.00000E+00 volume  2.68039E+05 ppm1      9.251 ppm2      3.905 !1

ASSI {266}   (( resid 141  and name  HN  ))   (  resid 142  and name  HD1#) 3.385 1.685 2.755 peak   542 weight  1.00000E+00 volume  3.01810E+05 ppm1      9.254 ppm2      0.933 !2

ASSI {267}   (( resid 146  and name  HN  ))   (( resid 141  and name  HA  )) 3.037 1.337 4.596 peak  3880 weight  1.00000E+00 volume  2.68032E+05 ppm1      6.143 ppm2      4.384 !3

ASSI {268}   (( resid 172  and name  HN  ))   (( resid 141  and name  HG1 )) 3.014 1.314 5.505 peak  3940 weight  1.00000E+00 volume  2.64238E+05 ppm1      8.346 ppm2      2.671 !3

ASSI {269}   (( resid 145  and name  HN  ))   (( resid 141  and name  HN  )) 3.107 1.407 4.668 peak  5765 weight  1.00000E+00 volume  2.07807E+05 ppm1      7.883 ppm2      9.279 !2

ASSI {270}   (( resid 171  and name  HE22))   (( resid 142  and name  HA  )) 3.374 1.674 3.864 peak   465 weight  1.00000E+00 volume  1.05579E+05 ppm1      7.101 ppm2      4.965 !3

ASSI {271}   (  resid 142  and name  HD2#)   (( resid 147  and name  HN  )) 3.647 1.847 1.847 peak  1213 weight  1.00000E+00 volume  1.61894E+05 ppm1      8.369 ppm2      1.003

ASSI {272}   (( resid 171  and name  HE21))   (( resid 142  and name  HA  )) 2.863 1.163 2.733 peak  1836 weight  1.00000E+00 volume  4.20032E+05 ppm1      7.708 ppm2      4.963 !2

ASSI {273}   (( resid 146  and name  HN  ))   (( resid 142  and name  HA  )) 2.635 0.935 3.215 peak  3878 weight  1.00000E+00 volume  9.10592E+05 ppm1      6.138 ppm2      4.959 !3

ASSI {274}   (( resid 142  and name  HN  ))   (( resid 172  and name  HN  )) 2.975 1.275 2.655 peak  3911 weight  1.00000E+00 volume  3.07820E+05 ppm1      8.362 ppm2      8.048 !2

ASSI {275}   (( resid 146  and name  HN  ))   (( resid 143  and name  HA  )) 2.66 0.96 1.72 peak  3881 weight  1.00000E+00 volume  8.30470E+05 ppm1      6.142 ppm2      4.179 !1

ASSI {276}   (( resid 144  and name  HN  ))   (( resid 172  and name  HA  )) 2.861 1.161 3.501 peak  1450 weight  1.00000E+00 volume  4.19927E+05 ppm1      9.673 ppm2      4.535 !3

ASSI {277}   (( resid 144  and name  HN  ))   (  resid 172  and name  HB# ) 2.696 0.996 1.586 peak  1452 weight  1.00000E+00 volume  6.73805E+05 ppm1      9.679 ppm2      4.242 !1

ASSI {278}   (( resid 144  and name  HD22))   (( resid 146  and name  HN  )) 2.72 1.02 3.981 peak  3862 weight  1.00000E+00 volume  6.69980E+05 ppm1      6.142 ppm2      6.800 !2

ASSI {279}   (( resid 145  and name  HN  ))   (( resid 147  and name  HA1 )) 3.002 1.302 4.322 peak  3778 weight  1.00000E+00 volume  2.82336E+05 ppm1      7.884 ppm2      4.338 !2

ASSI {280}   (( resid 145  and name  HN  ))   (( resid 174  and name  HB1 )) 3.023 1.323 3.013 peak  3796 weight  1.00000E+00 volume  2.54869E+05 ppm1      7.894 ppm2      1.709 !1

ASSI {281}   (( resid 146  and name  HN  ))   (( resid 145  and name  HA  )) 2.533 0.7325 0.7325 peak  3892 weight  1.00000E+00 volume  1.29993E+06 ppm1      6.140 ppm2      2.832

ASSI {282}   (( resid 146  and name  HN  ))   (( resid 146  and name  HE  )) 2.974 1.274 2.764 peak  3863 weight  1.00000E+00 volume  3.23415E+05 ppm1      6.145 ppm2      7.071 !2

ASSI {283}   (( resid 146  and name  HN  ))   (( resid 147  and name  HA2 )) 2.832 1.132 3.111 peak  3883 weight  1.00000E+00 volume  4.82390E+05 ppm1      6.139 ppm2      3.905 !2

ASSI {284}   (( resid 149  and name  HB2 ))   (( resid 146  and name  HN  )) 2.756 1.056 6.947 peak  3897 weight  1.00000E+00 volume  6.06970E+05 ppm1      6.142 ppm2      1.729 !3

ASSI {285}   (( resid 148  and name  HN  ))   (( resid 147  and name  HA2 )) 2.623 0.923 1.512 peak  1165 weight  1.00000E+00 volume  9.42814E+05 ppm1      8.609 ppm2      3.904 !1

ASSI {286}   (( resid 147  and name  HN  ))   (( resid 147  and name  HA2 )) 2.557 0.757 0.757 peak  1205 weight  1.00000E+00 volume  1.12000E+06 ppm1      8.369 ppm2      3.908

ASSI {287}   (( resid 166  and name  HN  ))   (( resid 148  and name  HD1 )) 3.07 1.37 4.57 peak  2927 weight  1.00000E+00 volume  2.53349E+05 ppm1      8.677 ppm2      3.229 !4

ASSI {288}   (( resid 60   and name  HA  ))   (( resid 149  and name  HE22)) 3.0 1.3 1.95 peak  1024 weight  1.00000E+00 volume  2.88229E+05 ppm1      7.892 ppm2      4.664 !1

ASSI {289}   (( resid 150  and name  HB1 ))   (( resid 164  and name  HN  )) 2.89 1.19 2.78 peak  1552 weight  1.00000E+00 volume  3.89234E+05 ppm1      7.814 ppm2      3.553 !2

ASSI {290}   (( resid 151  and name  HN  ))   (( resid 152  and name  HN  )) 3.004 1.304 2.124 peak  2830 weight  1.00000E+00 volume  2.62840E+05 ppm1      8.284 ppm2      9.298 !1

ASSI {291}   (( resid 156  and name  HN  ))   (( resid 155  and name  HG1 )) 3.172 1.472 2.982 peak   119 weight  1.00000E+00 volume  1.75228E+05 ppm1      7.968 ppm2      2.130 !3

ASSI {292}   (( resid 156  and name  HN  ))   (( resid 157  and name  HN  )) 3.035 1.335 1.785 peak  4468 weight  1.00000E+00 volume  2.57371E+05 ppm1      8.165 ppm2      7.949 !1

ASSI {293}   (( resid 164  and name  HN  ))   (( resid 159  and name  HB1 )) 3.099 1.399 5.819 peak  1560 weight  1.00000E+00 volume  2.20990E+05 ppm1      7.815 ppm2      1.966 !3

ASSI {294}   (( resid 164  and name  HN  ))   (( resid 159  and name  HB2 )) 2.958 1.258 5.058 peak  1563 weight  1.00000E+00 volume  3.78184E+05 ppm1      7.811 ppm2      1.539 !4

ASSI {295}   (( resid 159  and name  HN  ))   (  resid 159  and name  HE# ) 2.916 1.216 2.916 peak  3747 weight  1.00000E+00 volume  3.52649E+05 ppm1      7.862 ppm2      2.855 !2

ASSI {296}   (( resid 161  and name  HN  ))   (( resid 159  and name  HA  )) 2.91 1.21 1.91 peak  4711 weight  1.00000E+00 volume  3.61518E+05 ppm1      7.189 ppm2      5.258 !1

ASSI {297}   (( resid 165  and name  HN  ))   (( resid 159  and name  HB2 )) 2.779 1.079 4.509 peak  4849 weight  1.00000E+00 volume  5.36509E+05 ppm1      7.112 ppm2      1.532 !3

ASSI {298}   (( resid 166  and name  HN  ))   (( resid 160  and name  HB1 )) 2.934 1.234 5.084 peak  2932 weight  1.00000E+00 volume  3.52018E+05 ppm1      8.685 ppm2      1.050 !4

ASSI {299}   (( resid 160  and name  HD1 ))   (( resid 167  and name  HN  )) 2.778 1.078 4.968 peak  4246 weight  1.00000E+00 volume  5.24327E+05 ppm1      7.639 ppm2      4.069 !3

ASSI {300}   (( resid 160  and name  HD1 ))   (( resid 165  and name  HN  )) 2.896 1.196 5.196 peak  4836 weight  1.00000E+00 volume  4.17039E+05 ppm1      7.105 ppm2      4.063 !3

ASSI {301}   (( resid 165  and name  HN  ))   (( resid 160  and name  HG2 )) 3.038 1.338 4.099 peak  4845 weight  1.00000E+00 volume  2.70458E+05 ppm1      7.106 ppm2      1.770 !3

ASSI {302}   (( resid 166  and name  HN  ))   (  resid 161  and name  HD1#) 3.042 1.342 1.872 peak  2931 weight  1.00000E+00 volume  7.34315E+05 ppm1      8.683 ppm2      0.707 !1
OR {302}   (( resid 166  and name  HN  ))   (  resid 161  and name  HG2#)

ASSI {303}   (( resid 167  and name  HN  ))   (  resid 161  and name  HD1#) 2.965 1.265 1.675 peak  4262 weight  1.00000E+00 volume  9.31083E+05 ppm1      7.644 ppm2      0.714 !1
OR {303}   (( resid 167  and name  HN  ))   (  resid 161  and name  HG2#)

ASSI {304}   (( resid 165  and name  HN  ))   (( resid 161  and name  HG11)) 2.759 1.059 1.659 peak  4848 weight  1.00000E+00 volume  6.09181E+05 ppm1      7.106 ppm2      1.314 !1

ASSI {305}   (( resid 167  and name  HN  ))   (( resid 168  and name  HB2 )) 2.814 1.114 4.514 peak  4257 weight  1.00000E+00 volume  5.33472E+05 ppm1      7.637 ppm2      1.195 !2

ASSI {306}   (( resid 171  and name  HN  ))   (( resid 169  and name  HN  )) 3.083 1.383 5.093 peak  2443 weight  1.00000E+00 volume  2.20920E+05 ppm1      7.464 ppm2      8.561 !3

ASSI {307}   (( resid 170  and name  HN  ))   (( resid 171  and name  HE21)) 3.14 1.44 2.3 peak   735 weight  1.00000E+00 volume  1.96461E+05 ppm1      7.281 ppm2      7.687 !1

ASSI {308}   (( resid 170  and name  HB  ))   (( resid 170  and name  HN  )) 2.519 0.819 1.23 peak   753 weight  1.00000E+00 volume  1.34621E+06 ppm1      7.293 ppm2      1.586 !1

ASSI {309}   (( resid 172  and name  HN  ))   (  resid 173  and name  HD# ) 3.32 1.62 3.0 peak  3916 weight  1.00000E+00 volume  2.31006E+05 ppm1      8.369 ppm2      7.015 !1

ASSI {310}   (( resid 173  and name  HN  ))   (( resid 174  and name  HB1 )) 2.941 1.241 1.871 peak  1643 weight  1.00000E+00 volume  3.26331E+05 ppm1      8.936 ppm2      1.702 !1

ASSI {311}   (( resid 176  and name  HN  ))   (( resid 175  and name  HE  )) 2.776 1.076 4.456 peak   341 weight  1.00000E+00 volume  5.74612E+05 ppm1      7.875 ppm2      6.722 !2

ASSI {312}   (( resid 178  and name  HN  ))   (  resid 178  and name  HG# ) 2.397 0.697 1.907 peak  2566 weight  1.00000E+00 volume  2.18598E+06 ppm1      7.918 ppm2      2.179 !1

ASSI {313}   (( resid 178  and name  HN  ))   (( resid 88   and name  HB2 )) 2.982 1.282 3.292 peak  2570 weight  1.00000E+00 volume  3.00121E+05 ppm1      7.919 ppm2      1.436 !4

ASSI {314}   (( resid 64   and name  HN  ))   (( resid 178  and name  HG2 )) 2.693 0.993 1.413 peak  3198 weight  1.00000E+00 volume  7.39045E+05 ppm1      8.555 ppm2      2.235 !1

!ASSI {315}   (( resid 84   and name  HN  ))   (  resid 27   and name  HB# ) 3.155 1.455 5.046 peak  2989 weight  1.00000E+00 volume  2.73410E+05 ppm1     10.091 ppm2      3.470 !4

!ASSI {316}   (( resid 79   and name  HN  ))   (( resid 76   and name  HB2 )) 3.037 1.337 5.097 peak  3030 weight  1.00000E+00 volume  2.41024E+05 ppm1      7.875 ppm2      1.258 !4

!ASSI {317}   (( resid 51   and name  HB1 ))   (( resid 79   and name  HN  )) 2.905 1.205 5.235 peak  3021 weight  1.00000E+00 volume  3.48003E+05 ppm1      7.871 ppm2      2.513 !4

!ASSI {318}   (( resid 37   and name  HN  ))   (( resid 79   and name  HE  )) 3.042 1.342 5.231 peak  4109 weight  1.00000E+00 volume  2.43160E+05 ppm1      9.783 ppm2      7.330 !7

!ASSI {319}   (( resid 57   and name  HN  ))   (( resid 53   and name  HD1 )) 2.844 1.144 6.404 peak  2668 weight  1.00000E+00 volume  4.13985E+05 ppm1      8.442 ppm2      3.570 !3

!ASSI {320}   (( resid 55   and name  HA  ))   (( resid 54   and name  HD22)) 3.078 1.378 5.188 peak  3713 weight  1.00000E+00 volume  2.29924E+05 ppm1      6.794 ppm2      2.980 !3

!ASSI {321}   (  resid 170  and name  HG2#)   (( resid 117  and name  HN  )) 3.543 1.843 5.943 peak  4418 weight  1.00000E+00 volume  2.13393E+05 ppm1      7.172 ppm2      0.770 !3

!ASSI {322}   (( resid 166  and name  HN  ))   (( resid 148  and name  HE  )) 2.853 1.153 5.453 peak  2911 weight  1.00000E+00 volume  4.78470E+05 ppm1      8.679 ppm2      7.509 !5

!ASSI {323}   (( resid 37   and name  HN  ))   (( resid 13   and name  HN  )) 2.931 1.231 5.281 peak  4105 weight  1.00000E+00 volume  3.42686E+05 ppm1      9.782 ppm2      8.096 !3

!ASSI {324}   (( resid 17   and name  HN  ))   (( resid 69   and name  HG1 )) 2.703 1.003 5.743 peak  2607 weight  1.00000E+00 volume  7.04495E+05 ppm1      6.265 ppm2      1.922 !3

!ASSI {325}   (( resid 25   and name  HN  ))   (( resid 27   and name  HA  )) 2.687 0.987 5.397 peak  4546 weight  1.00000E+00 volume  7.44573E+05 ppm1      8.271 ppm2      5.035 !3

!ASSI {326}   (( resid 157  and name  HN  ))   (( resid 104  and name  HB1 )) 3.191 1.491 5.321 peak  4477 weight  1.00000E+00 volume  1.71732E+05 ppm1      8.152 ppm2      2.096 !3

!ASSI {327}   (( resid 117  and name  HN  ))   (( resid 114  and name  HA  )) 2.7 1.0 5.35 peak  4391 weight  1.00000E+00 volume  7.34553E+05 ppm1      7.179 ppm2      4.815 !3

!ASSI {328}   (( resid 169  and name  HN  ))   (( resid 161  and name  HG11)) 2.521 0.821 7.041 peak  2465 weight  1.00000E+00 volume  1.40703E+06 ppm1      7.468 ppm2      1.362 !2

!ASSI {329}   (( resid 7    and name  HN  ))   (( resid 47   and name  HZ3 )) 3.0 1.3 5.44 peak  2235 weight  1.00000E+00 volume  2.92088E+05 ppm1      8.601 ppm2      6.825 !3

!ASSI {330}   (( resid 99   and name  HN  ))   (( resid 104  and name  HB2 )) 2.986 1.286 5.346 peak  2421 weight  1.00000E+00 volume  2.94975E+05 ppm1      8.086 ppm2      2.918 !3

!ASSI {331}   (( resid 151  and name  HN  ))   (( resid 61   and name  HB  )) 2.969 1.269 5.259 peak  2851 weight  1.00000E+00 volume  2.97672E+05 ppm1      8.278 ppm2      2.020 !3

!ASSI {332}   (( resid 40   and name  HN  ))   (( resid 16   and name  HB2 )) 3.118 1.418 4.978 peak  2711 weight  1.00000E+00 volume  2.09937E+05 ppm1      9.097 ppm2      2.935 !3

!ASSI {333}   (( resid 151  and name  HN  ))   (  resid 139  and name  HE# ) 3.43 1.73 6.17 peak  2836 weight  1.00000E+00 volume  2.21778E+05 ppm1      8.285 ppm2      5.424 !4

!ASSI {334}   (( resid 80   and name  HN  ))   (( resid 77   and name  HN  )) 2.687 0.987 5.597 peak  2331 weight  1.00000E+00 volume  7.08587E+05 ppm1      7.301 ppm2      7.168 !3

!ASSI {335}   (( resid 88   and name  HN  ))   (( resid 136  and name  HA  )) 2.557 0.857 5.937 peak  2277 weight  1.00000E+00 volume  1.26831E+06 ppm1      8.701 ppm2      4.765 !3

!ASSI {336}   (( resid 5    and name  HN  ))   (( resid 47   and name  HZ2 )) 2.979 1.279 5.559 peak  1684 weight  1.00000E+00 volume  3.02559E+05 ppm1      8.315 ppm2      6.933 !3

!ASSI {337}   (( resid 105  and name  HN  ))   (( resid 158  and name  HB1 )) 2.93 1.23 5.81 peak   870 weight  1.00000E+00 volume  3.43942E+05 ppm1      6.470 ppm2      1.937 !3

!ASSI {338}   (( resid 113  and name  HN  ))   (( resid 93   and name  HG1 )) 2.557 0.857 6.277 peak  1238 weight  1.00000E+00 volume  1.16528E+06 ppm1      8.448 ppm2      2.213 !3

!ASSI {339}   (( resid 138  and name  HN  ))   (( resid 140  and name  HB1 )) 3.064 1.364 6.394 peak  4220 weight  1.00000E+00 volume  2.34492E+05 ppm1      9.449 ppm2      3.620 !3

!ASSI {340}   (( resid 25   and name  HN  ))   (( resid 10   and name  HZ  )) 2.72 1.02 5.46 peak  4539 weight  1.00000E+00 volume  6.69323E+05 ppm1      8.265 ppm2      6.888 !3

!ASSI {341}   (( resid 64   and name  HN  ))   (( resid 43   and name  HA  )) 3.104 1.404 5.254 peak  3186 weight  1.00000E+00 volume  2.12319E+05 ppm1      8.552 ppm2      4.455 !3

!ASSI {342}   (( resid 60   and name  HA  ))   (( resid 73   and name  HE1 )) 3.075 1.375 6.715 peak  1738 weight  1.00000E+00 volume  2.59814E+05 ppm1      9.975 ppm2      4.661 !3

!ASSI {343}   (  resid 118  and name  HG2#)   (( resid 109  and name  HN  )) 3.546 1.846 4.476 peak  4316 weight  1.00000E+00 volume  2.10965E+05 ppm1      8.225 ppm2      1.051 !2

!ASSI {344}   (( resid 39   and name  HN  ))   (( resid 18   and name  HA2 )) 2.968 1.268 7.438 peak  3105 weight  1.00000E+00 volume  3.16996E+05 ppm1      8.391 ppm2      4.472 !3

ASSI {0}   (( resid 15   and name  HD21))   (  resid 68   and name  HB# ) 2.998 1.198 1.198 peak    26 weight  1.00000E+00 volume  2.94028E+05 ppm1      7.514 ppm2      2.113

ASSI {1}   (( resid 36   and name  HG2 ))   (( resid 38   and name  HD22)) 3.224 1.424 1.424 peak   149 weight  1.00000E+00 volume  1.63905E+05 ppm1      8.159 ppm2      1.529

ASSI {2}   (( resid 47   and name  HE1 ))   (( resid 43   and name  HB2 )) 3.008 1.308 4.028 peak  1504 weight  1.00000E+00 volume  2.84794E+05 ppm1      9.459 ppm2      1.936 !3

ASSI {3}   (  resid 46   and name  HG2#)   (( resid 47   and name  HE1 )) 3.373 1.673 3.493 peak  1509 weight  1.00000E+00 volume  3.17475E+05 ppm1      9.463 ppm2      0.872 !2

ASSI {4}   (( resid 53   and name  HB2 ))   (( resid 54   and name  HD22)) 2.859 1.159 3.309 peak  3722 weight  1.00000E+00 volume  4.15312E+05 ppm1      6.796 ppm2      2.138 !2

ASSI {5}   (( resid 53   and name  HB1 ))   (( resid 54   and name  HD22)) 2.891 1.191 4.101 peak  3726 weight  1.00000E+00 volume  3.77448E+05 ppm1      6.794 ppm2      1.619 !2

ASSI {6}   (( resid 54   and name  HD22))   (  resid 55   and name  HB# ) 2.998 1.298 5.798 peak  3725 weight  1.00000E+00 volume  2.84789E+05 ppm1      6.783 ppm2      1.749 !3

ASSI {7}   (( resid 67   and name  HB2 ))   (( resid 73   and name  HE1 )) 3.091 1.391 5.701 peak  1740 weight  1.00000E+00 volume  2.13801E+05 ppm1      9.981 ppm2      3.791 !2

ASSI {8}   (( resid 73   and name  HH2 ))   (( resid 73   and name  HE1 )) 2.865 1.165 1.965 peak  5277 weight  1.00000E+00 volume  4.05518E+05 ppm1      9.986 ppm2      6.646 !1
OR {8}   (( resid 73   and name  HZ3 ))   (( resid 73   and name  HE1 ))

ASSI {9}   (( resid 73   and name  HD1 ))   (( resid 73   and name  HE1 )) 2.514 0.714 0.714 peak  5282 weight  1.00000E+00 volume  1.37595E+06 ppm1      9.985 ppm2      6.061

ASSI {10}   (( resid 93   and name  HE22))   (( resid 92   and name  HA1 )) 3.025 1.325 4.855 peak   528 weight  1.00000E+00 volume  2.76283E+05 ppm1      6.872 ppm2      3.899 !3

ASSI {11}   (( resid 93   and name  HE22))   (( resid 93   and name  HG1 )) 2.583 0.883 1.323 peak    21 weight  1.00000E+00 volume  1.06456E+06 ppm1      6.874 ppm2      2.218 !1

ASSI {12}   (( resid 97   and name  HE21))   (  resid 97   and name  HG# ) 2.669 0.8695 0.8695 peak   935 weight  1.00000E+00 volume  7.60842E+05 ppm1      7.903 ppm2      2.177

ASSI {13}   (( resid 107  and name  HE21))   (  resid 122  and name  HD# ) 3.041 1.341 2.401 peak   386 weight  1.00000E+00 volume  4.94798E+05 ppm1      6.919 ppm2      6.610 !1

ASSI {14}   (( resid 107  and name  HE21))   (( resid 109  and name  HB1 )) 3.006 1.306 2.596 peak   395 weight  1.00000E+00 volume  2.76530E+05 ppm1      6.927 ppm2      1.736 !2

ASSI {15}   (( resid 93   and name  HE21))   (( resid 112  and name  HB  )) 3.033 1.233 1.233 peak   522 weight  1.00000E+00 volume  2.65372E+05 ppm1      7.514 ppm2      4.937

ASSI {16}   (( resid 93   and name  HE21))   (( resid 113  and name  HB1 )) 2.832 1.132 5.742 peak   530 weight  1.00000E+00 volume  4.80195E+05 ppm1      7.513 ppm2      2.392 !2

ASSI {17}   (  resid 122  and name  HD# )   (( resid 121  and name  HE22)) 2.971 1.171 1.171 peak  1880 weight  1.00000E+00 volume  6.53753E+05 ppm1      6.802 ppm2      6.549

ASSI {18}   (  resid 125  and name  HD# )   (( resid 171  and name  HE22)) 2.96 1.26 5.06 peak   627 weight  1.00000E+00 volume  3.29930E+05 ppm1      7.114 ppm2      3.263 !3

ASSI {19}   (( resid 137  and name  HE1 ))   (( resid 173  and name  HZ  )) 2.941 1.141 1.141 peak   949 weight  1.00000E+00 volume  4.26885E+05 ppm1      9.059 ppm2      7.016
OR {19}   (( resid 137  and name  HE1 ))   (  resid 173  and name  HD# )

ASSI {20}   (( resid 149  and name  HE21))   (  resid 138  and name  HG2#) 3.443 1.643 1.643 peak  1041 weight  1.00000E+00 volume  2.77521E+05 ppm1      8.261 ppm2      0.353

ASSI {21}   (( resid 171  and name  HE22))   (( resid 143  and name  HD2 )) 2.985 1.285 4.545 peak   625 weight  1.00000E+00 volume  2.94998E+05 ppm1      7.108 ppm2      3.701 !2

ASSI {22}   (( resid 144  and name  HD22))   (  resid 143  and name  HG# ) 2.8 0.9995 0.9995 peak  1266 weight  1.00000E+00 volume  5.08095E+05 ppm1      6.757 ppm2      2.011

ASSI {23}   (  resid 49   and name  HG2#)   (( resid 149  and name  HE22)) 3.397 1.697 3.477 peak  1038 weight  1.00000E+00 volume  2.84371E+05 ppm1      7.893 ppm2      0.861 !2

ASSI {24}   (( resid 163  and name  HE1 ))   (  resid 161  and name  HD1#) 3.081 1.381 2.311 peak  1416 weight  1.00000E+00 volume  6.60097E+05 ppm1      9.767 ppm2      0.706 !1
OR {24}   (( resid 163  and name  HE1 ))   (  resid 161  and name  HG2#)

!ASSI {25}   (( resid 47   and name  HE1 ))   (  resid 86   and name  HG1#) 3.282 1.582 5.512 peak  5230 weight  1.00000E+00 volume  4.26274E+05 ppm1      9.467 ppm2      0.678 !3

!ASSI {26}   (( resid 121  and name  HE22))   (( resid 96   and name  HG11)) 3.115 1.415 7.185 peak  1914 weight  1.00000E+00 volume  2.12641E+05 ppm1      6.804 ppm2      0.184 !3

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assign (resid    9 and name N    ) (resid    9 and name CA   )
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assign (resid   15 and name C    ) (resid   16 and name N    )
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assign (resid   16 and name N    ) (resid   16 and name CA   )
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assign (resid   16 and name C    ) (resid   17 and name N    )
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assign (resid   17 and name N    ) (resid   17 and name CA   )
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assign (resid   19 and name C    ) (resid   20 and name N    )
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assign (resid   20 and name N    ) (resid   20 and name CA   )
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assign (resid   20 and name C    ) (resid   21 and name N    )
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assign (resid   21 and name N    ) (resid   21 and name CA   )
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assign (resid   21 and name C    ) (resid   22 and name N    )
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assign (resid   22 and name N    ) (resid   22 and name CA   )
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assign (resid   22 and name C    ) (resid   23 and name N    )
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assign (resid   23 and name N    ) (resid   23 and name CA   )
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assign (resid   23 and name C    ) (resid   24 and name N    )
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!assign (resid   24 and name N    ) (resid   24 and name CA   )
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assign (resid   24 and name C    ) (resid   25 and name N    )
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assign (resid   25 and name N    ) (resid   25 and name CA   )
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assign (resid   25 and name C    ) (resid   26 and name N    )
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assign (resid   26 and name N    ) (resid   26 and name CA   )
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assign (resid   27 and name C    ) (resid   28 and name N    )
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assign (resid   28 and name N    ) (resid   28 and name CA   )
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assign (resid   30 and name C    ) (resid   31 and name N    )
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assign (resid   31 and name N    ) (resid   31 and name CA   )
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assign (resid   31 and name C    ) (resid   32 and name N    )
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assign (resid   32 and name N    ) (resid   32 and name CA   )
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assign (resid   32 and name C    ) (resid   33 and name N    )
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assign (resid   34 and name N    ) (resid   34 and name CA   )
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assign (resid   34 and name C    ) (resid   35 and name N    )
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assign (resid   35 and name N    ) (resid   35 and name CA   )
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assign (resid   35 and name C    ) (resid   36 and name N    )
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assign (resid   36 and name N    ) (resid   36 and name CA   )
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assign (resid   36 and name C    ) (resid   37 and name N    )
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assign (resid   37 and name N    ) (resid   37 and name CA   )
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assign (resid   37 and name C    ) (resid   38 and name N    )
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assign (resid   38 and name N    ) (resid   38 and name CA   )
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assign (resid   41 and name N    ) (resid   41 and name CA   )
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assign (resid   41 and name C    ) (resid   42 and name N    )
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assign (resid   42 and name N    ) (resid   42 and name CA   )
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assign (resid   45 and name C    ) (resid   46 and name N    )
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assign (resid   46 and name N    ) (resid   46 and name CA   )
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assign (resid   46 and name C    ) (resid   47 and name N    )
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assign (resid   47 and name N    ) (resid   47 and name CA   )
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assign (resid   47 and name C    ) (resid   48 and name N    )
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assign (resid   48 and name N    ) (resid   48 and name CA   )
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assign (resid   48 and name C    ) (resid   49 and name N    )
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assign (resid   49 and name N    ) (resid   49 and name CA   )
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assign (resid   49 and name C    ) (resid   50 and name N    )
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assign (resid   50 and name N    ) (resid   50 and name CA   )
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assign (resid   50 and name C    ) (resid   51 and name N    )
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assign (resid   51 and name N    ) (resid   51 and name CA   )
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assign (resid   52 and name C    ) (resid   53 and name N    )
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assign (resid   53 and name N    ) (resid   53 and name CA   )
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assign (resid   53 and name C    ) (resid   54 and name N    )
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assign (resid   54 and name N    ) (resid   54 and name CA   )
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assign (resid   62 and name C    ) (resid   63 and name N    )
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assign (resid   66 and name N    ) (resid   66 and name CA   )
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assign (resid   71 and name N    ) (resid   71 and name CA   )
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assign (resid   71 and name C    ) (resid   72 and name N    )
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assign (resid   72 and name N    ) (resid   72 and name CA   )
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assign (resid   72 and name C    ) (resid   73 and name N    )
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assign (resid   75 and name N    ) (resid   75 and name CA   )
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assign (resid   80 and name N    ) (resid   80 and name CA   )
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assign (resid   81 and name N    ) (resid   81 and name CA   )
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assign (resid   84 and name N    ) (resid   84 and name CA   )
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assign (resid   89 and name N    ) (resid   89 and name CA   )
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       (resid   99 and name CA   ) (resid   99 and name C    )    1.0 -128.5   43.8 2
assign (resid   99 and name N    ) (resid   99 and name CA   )
       (resid   99 and name C    ) (resid  100 and name N    )    1.0  144.2   30.4 2
assign (resid   99 and name C    ) (resid  100 and name N    )
       (resid  100 and name CA   ) (resid  100 and name C    )    1.0  -85.0   44.6 2
assign (resid  100 and name N    ) (resid  100 and name CA   )
       (resid  100 and name C    ) (resid  101 and name N    )    1.0  -23.4   45.8 2
assign (resid  100 and name C    ) (resid  101 and name N    )
       (resid  101 and name CA   ) (resid  101 and name C    )    1.0 -142.8   44.0 2
assign (resid  101 and name N    ) (resid  101 and name CA   )
       (resid  101 and name C    ) (resid  102 and name N    )    1.0  157.9   41.8 2
assign (resid  104 and name C    ) (resid  105 and name N    )
       (resid  105 and name CA   ) (resid  105 and name C    )    1.0 -120.3   50.8 2
assign (resid  105 and name N    ) (resid  105 and name CA   )
       (resid  105 and name C    ) (resid  106 and name N    )    1.0  155.6   24.7 2
assign (resid  106 and name C    ) (resid  107 and name N    )
       (resid  107 and name CA   ) (resid  107 and name C    )    1.0  -95.5   51.6 2
assign (resid  107 and name N    ) (resid  107 and name CA   )
       (resid  107 and name C    ) (resid  108 and name N    )    1.0  122.6   45.9 2
assign (resid  107 and name C    ) (resid  108 and name N    )
       (resid  108 and name CA   ) (resid  108 and name C    )    1.0 -111.4   50.7 2
assign (resid  108 and name N    ) (resid  108 and name CA   )
       (resid  108 and name C    ) (resid  109 and name N    )    1.0  139.8   35.9 2
assign (resid  108 and name C    ) (resid  109 and name N    )
       (resid  109 and name CA   ) (resid  109 and name C    )    1.0 -140.3   24.0 2
assign (resid  109 and name N    ) (resid  109 and name CA   )
       (resid  109 and name C    ) (resid  110 and name N    )    1.0  141.5   32.5 2
assign (resid  109 and name C    ) (resid  110 and name N    )
       (resid  110 and name CA   ) (resid  110 and name C    )    1.0 -118.2   25.1 2
assign (resid  110 and name N    ) (resid  110 and name CA   )
       (resid  110 and name C    ) (resid  111 and name N    )    1.0  137.7   21.1 2
assign (resid  110 and name C    ) (resid  111 and name N    )
       (resid  111 and name CA   ) (resid  111 and name C    )    1.0 -146.5   34.2 2
assign (resid  111 and name N    ) (resid  111 and name CA   )
       (resid  111 and name C    ) (resid  112 and name N    )    1.0  156.3   32.5 2
assign (resid  111 and name C    ) (resid  112 and name N    )
       (resid  112 and name CA   ) (resid  112 and name C    )    1.0 -103.4   22.9 2
!assign (resid  112 and name N    ) (resid  112 and name CA   )
!       (resid  112 and name C    ) (resid  113 and name N    )    1.0  133.8   60.0 2
assign (resid  112 and name C    ) (resid  113 and name N    )
       (resid  113 and name CA   ) (resid  113 and  name C    )    1.0 -125.2   35.6 2
assign (resid  113 and name N    ) (resid  113 and name CA   )
       (resid  113 and name C    ) (resid  114 and name N    )    1.0  154.7   27.6 2
assign (resid  113 and name C    ) (resid  114 and name N    )
       (resid  114 and name CA   ) (resid  114 and name C    )    1.0  -77.3   23.6 2
assign (resid  114 and name N    ) (resid  114 and name CA   )
       (resid  114 and name C    ) (resid  115 and name N    )    1.0  142.1   20.0 2
assign (resid  114 and name C    ) (resid  115 and name N    )
       (resid  115 and name CA   ) (resid  115 and name C    )    1.0 -101.2   49.2 2
assign (resid  115 and name N    ) (resid  115 and name CA   )
       (resid  115 and name C    ) (resid  116 and name N    )    1.0  142.6   32.2 2
assign (resid  116 and name C    ) (resid  117 and name N    )
       (resid  117 and name CA   ) (resid  117 and name C    )    1.0  -89.5   43.8 2
assign (resid  117 and name N    ) (resid  117 and name CA   )
       (resid  117 and name C    ) (resid  118 and name N    )    1.0  105.6   32.7 2
assign (resid  117 and name C    ) (resid  118 and name N    )
       (resid  118 and name CA   ) (resid  118 and name C    )    1.0  -59.5   23.6 2
assign (resid  118 and name N    ) (resid  118 and name CA   )
       (resid  118 and name C    ) (resid  119 and name N    )    1.0  -39.4   20.0 2
assign (resid  118 and name C    ) (resid  119 and name N    )
       (resid  119 and name CA   ) (resid  119 and name C    )    1.0  -62.2   20.0 2
assign (resid  119 and name N    ) (resid  119 and name CA   )
       (resid  119 and name C    ) (resid  120 and name N    )    1.0  -38.7   20.0 2
assign (resid  119 and name C    ) (resid  120 and name N    )
       (resid  120 and name CA   ) (resid  120 and name C    )    1.0  -72.8   24.7 2
assign (resid  120 and name N    ) (resid  120 and name CA   )
       (resid  120 and name C    ) (resid  121 and name N    )    1.0  -37.9   26.1 2
assign (resid  120 and name C    ) (resid  121 and name N    )
       (resid  121 and name CA   ) (resid  121 and name C    )    1.0  -77.7   31.5 2
assign (resid  121 and name N    ) (resid  121 and name CA   )
       (resid  121 and name C    ) (resid  122 and name N    )    1.0  -30.0   20.0 2
assign (resid  121 and name C    ) (resid  122 and name N    )
       (resid  122 and name CA   ) (resid  122 and name C    )    1.0 -102.9   34.4 2
assign (resid  122 and name N    ) (resid  122 and name CA   )
       (resid  122 and name C    ) (resid  123 and name N    )    1.0    1.7   29.4 2
assign (resid  122 and name C    ) (resid  123 and name N    )
       (resid  123 and name CA   ) (resid  123 and name C    )    1.0   57.4   20.0 2
assign (resid  123 and name N    ) (resid  123 and name CA   )
       (resid  123 and name C    ) (resid  124 and name N    )    1.0   42.4   35.0 2
assign (resid  123 and name C    ) (resid  124 and name N    )
       (resid  124 and name CA   ) (resid  124 and name C    )    1.0 -114.5   43.9 2
assign (resid  124 and name N    ) (resid  124 and name CA   )
       (resid  124 and name C    ) (resid  125 and name N    )    1.0  158.0   34.9 2
assign (resid  124 and name C    ) (resid  125 and name N    )
       (resid  125 and name CA   ) (resid  125 and name C    )    1.0 -106.1   36.8 2
assign (resid  125 and name N    ) (resid  125 and name CA   )
       (resid  125 and name C    ) (resid  126 and name N    )    1.0  -20.9   46.7 2
assign (resid  125 and name C    ) (resid  126 and name N    )
       (resid  126 and name CA   ) (resid  126 and name C    )    1.0 -128.7   47.7 2
assign (resid  126 and name N    ) (resid  126 and name CA   )
       (resid  126 and name C    ) (resid  127 and name N    )    1.0  153.7   45.8 2
assign (resid  126 and name C    ) (resid  127 and name N    )
       (resid  127 and name CA   ) (resid  127 and name C    )    1.0  -99.7   61.9 2
assign (resid  127 and name N    ) (resid  127 and name CA   )
       (resid  127 and name C    ) (resid  128 and name N    )    1.0  127.5   31.6 2
assign (resid  127 and name C    ) (resid  128 and name N    )
       (resid  128 and name CA   ) (resid  128 and name C    )    1.0  -87.0   20.8 2
assign (resid  128 and name N    ) (resid  128 and name CA   )
       (resid  128 and name C    ) (resid  129 and name N    )    1.0  -29.1   26.8 2
assign (resid  128 and name C    ) (resid  129 and name N    )
       (resid  129 and name CA   ) (resid  129 and name C    )    1.0 -158.5   56.8 2
assign (resid  129 and name N    ) (resid  129 and name CA   )
       (resid  129 and name C    ) (resid  130 and name N    )    1.0  163.3   20.0 2
assign (resid  132 and name C    ) (resid  133 and name N    )
       (resid  133 and name CA   ) (resid  133 and name C    )    1.0 -101.9   58.1 2
assign (resid  133 and name N    ) (resid  133 and name CA   )
       (resid  133 and name C    ) (resid  134 and name N    )    1.0  135.5   31.5 2
assign (resid  133 and name C    ) (resid  134 and name N    )
       (resid  134 and name CA   ) (resid  134 and name C    )    1.0 -115.5   39.4 2
assign (resid  134 and name N    ) (resid  134 and name CA   )
       (resid  134 and name C    ) (resid  135 and name N    )    1.0  140.7   28.9 2
assign (resid  135 and name C    ) (resid  136 and name N    )
       (resid  136 and name CA   ) (resid  136 and name C    )    1.0 -128.2   33.5 2
assign (resid  136 and name N    ) (resid  136 and name CA   )
       (resid  136 and name C    ) (resid  137 and name N    )    1.0  134.9   21.3 2
assign (resid  136 and name C    ) (resid  137 and name N    )
       (resid  137 and name CA   ) (resid  137 and name C    )    1.0 -145.7   23.4 2
assign (resid  137 and name N    ) (resid  137 and name CA   )
       (resid  137 and name C    ) (resid  138 and name N    )    1.0  154.4   36.4 2
assign (resid  137 and name C    ) (resid  138 and name N    )
       (resid  138 and name CA   ) (resid  138 and name C    )    1.0 -124.2   20.0 2
assign (resid  138 and name N    ) (resid  138 and name CA   )
       (resid  138 and name C    ) (resid  139 and name N    )    1.0  135.2   24.1 2
assign (resid  138 and name C    ) (resid  139 and name N    )
       (resid  139 and name CA   ) (resid  139 and name C    )    1.0 -128.4   37.4 2
assign (resid  139 and name N    ) (resid  139 and name CA   )
       (resid  139 and name C    ) (resid  140 and name N    )    1.0  149.6   28.9 2
assign (resid  139 and name C    ) (resid  140 and name N    )
       (resid  140 and name CA   ) (resid  140 and name C    )    1.0  -92.5   54.4 2
assign (resid  140 and name N    ) (resid  140 and name CA   )
       (resid  140 and name C    ) (resid  141 and name N    )    1.0  152.3   35.7 2
assign (resid  140 and name C    ) (resid  141 and name N    )
       (resid  141 and name CA   ) (resid  141 and name C    )    1.0  -83.7   35.5 2
assign (resid  141 and name N    ) (resid  141 and name CA   )
       (resid  141 and name C    ) (resid  142 and name N    )    1.0  -23.6   53.2 2
assign (resid  142 and name C    ) (resid  143 and name N    )
       (resid  143 and name CA   ) (resid  143 and name C    )    1.0  -62.1   24.6 2
assign (resid  143 and name N    ) (resid  143 and name CA   )
       (resid  143 and name C    ) (resid  144 and name N    )    1.0  146.9   33.6 2
assign (resid  143 and name C    ) (resid  144 and name N    )
       (resid  144 and name CA   ) (resid  144 and name C    )    1.0   62.6   27.2 2
assign (resid  144 and name N    ) (resid  144 and name CA   )
       (resid  144 and name C    ) (resid  145 and name N    )    1.0   31.0   21.8 2
assign (resid  144 and name C    ) (resid  145 and name N    )
       (resid  145 and name CA   ) (resid  145 and name C    )    1.0   56.0   20.0 2
assign (resid  145 and name N    ) (resid  145 and name CA   )
       (resid  145 and name C    ) (resid  146 and name N    )    1.0   42.0   20.3 2
assign (resid  145 and name C    ) (resid  146 and name N    )
       (resid  146 and name CA   ) (resid  146 and name C    )    1.0 -123.8   41.1 2
assign (resid  146 and name N    ) (resid  146 and name CA   )
       (resid  146 and name C    ) (resid  147 and name N    )    1.0  157.7   31.8 2
assign (resid  147 and name C    ) (resid  148 and name N    )
       (resid  148 and name CA   ) (resid  148 and name C    )    1.0  -85.4   40.9 2
!assign (resid  148 and name N    ) (resid  148 and name CA   )
!       (resid  148 and name C    ) (resid  149 and name N    )    1.0  -34.0   65.1 2
!assign (resid  148 and name C    ) (resid  149 and name N    )
!       (resid  149 and name CA   ) (resid  149 and name C    )    1.0 -140.6   65.8 2
assign (resid  149 and name N    ) (resid  149 and name CA   )
       (resid  149 and name C    ) (resid  150 and name N    )    1.0  156.0   37.2 2
assign (resid  149 and name C    ) (resid  150 and name N    )
       (resid  150 and name CA   ) (resid  150 and name C    )    1.0 -126.9   30.2 2
assign (resid  150 and name N    ) (resid  150 and name CA   )
       (resid  150 and name C    ) (resid  151 and name N    )    1.0  138.7   23.6 2
assign (resid  150 and name C    ) (resid  151 and name N    )
       (resid  151 and name CA   ) (resid  151 and name C    )    1.0 -114.6   48.3 2
assign (resid  151 and name N    ) (resid  151 and name CA   )
       (resid  151 and name C    ) (resid  152 and name N    )    1.0  122.2   30.0 2
assign (resid  151 and name C    ) (resid  152 and name N    )
       (resid  152 and name CA   ) (resid  152 and name C    )    1.0 -106.2   44.3 2
assign (resid  152 and name N    ) (resid  152 and name CA   )
       (resid  152 and name C    ) (resid  153 and name N    )    1.0  130.7   21.3 2
assign (resid  156 and name C    ) (resid  157 and name N    )
       (resid  157 and name CA   ) (resid  157 and name C    )    1.0 -104.2   44.9 2
assign (resid  157 and name N    ) (resid  157 and name CA   )
       (resid  157 and name C    ) (resid  158 and name N    )    1.0  152.6   43.5 2
assign (resid  157 and name C    ) (resid  158 and name N    )
       (resid  158 and name CA   ) (resid  158 and name C    )    1.0  -68.7   40.8 2
assign (resid  158 and name N    ) (resid  158 and name CA   )
       (resid  158 and name C    ) (resid  159 and name N    )    1.0  -40.7   20.0 2
assign (resid  158 and name C    ) (resid  159 and name N    )
       (resid  159 and name CA   ) (resid  159 and name C    )    1.0 -130.2   57.8 2
assign (resid  159 and name N    ) (resid  159 and name CA   )
       (resid  159 and name C    ) (resid  160 and name N    )    1.0  109.6   58.1 2
assign (resid  159 and name C    ) (resid  160 and name N    )
       (resid  160 and name CA   ) (resid  160 and name C    )    1.0  -60.8   20.0 2
assign (resid  160 and name N    ) (resid  160 and name CA   )
       (resid  160 and name C    ) (resid  161 and name N    )    1.0  -20.0   20.0 2
assign (resid  160 and name C    ) (resid  161 and name N    )
       (resid  161 and name CA   ) (resid  161 and name C    )    1.0  -75.4   33.2 2
assign (resid  161 and name N    ) (resid  161 and name CA   )
       (resid  161 and name C    ) (resid  162 and name N    )    1.0  -24.8   27.8 2
assign (resid  161 and name C    ) (resid  162 and name N    )
       (resid  162 and name CA   ) (resid  162 and name C    )    1.0  -63.5   20.0 2
assign (resid  162 and name N    ) (resid  162 and name CA   )
       (resid  162 and name C    ) (resid  163 and name N    )    1.0  -31.8   20.0 2
assign (resid  162 and name C    ) (resid  163 and name N    )
       (resid  163 and name CA   ) (resid  163 and name C    )    1.0  -90.6   21.5 2
assign (resid  163 and name N    ) (resid  163 and name CA   )
       (resid  163 and name C    ) (resid  164 and name N    )    1.0    5.5   20.0 2
assign (resid  163 and name C    ) (resid  164 and name N    )
       (resid  164 and name CA   ) (resid  164 and name C    )    1.0   89.2   25.0 2
assign (resid  164 and name N    ) (resid  164 and name CA   )
       (resid  164 and name C    ) (resid  165 and name N    )    1.0    1.3   26.3 2
assign (resid  164 and name C    ) (resid  165 and name N    )
       (resid  165 and name CA   ) (resid  165 and name C    )    1.0  -99.6   41.0 2
assign (resid  165 and name N    ) (resid  165 and name CA   )
       (resid  165 and name C    ) (resid  166 and name N    )    1.0  138.5   53.7 2
assign (resid  168 and name C    ) (resid  169 and name N    )
       (resid  169 and name CA   ) (resid  169 and name C    )    1.0  -83.2   44.8 2
assign (resid  169 and name N    ) (resid  169 and name CA   )
       (resid  169 and name C    ) (resid  170 and name N    )    1.0  126.7   55.6 2
assign (resid  170 and name C    ) (resid  171 and name N    )
       (resid  171 and name CA   ) (resid  171 and name C    )    1.0 -141.5   55.1 2
assign (resid  171 and name N    ) (resid  171 and name CA   )
       (resid  171 and name C    ) (resid  172 and name N    )    1.0  165.2   60.9 2
assign (resid  171 and name C    ) (resid  172 and name N    )
       (resid  172 and name CA   ) (resid  172 and name C    )    1.0 -146.4   50.6 2
assign (resid  172 and name N    ) (resid  172 and name CA   )
       (resid  172 and name C    ) (resid  173 and name N    )    1.0  168.1   35.7 2
assign (resid  172 and name C    ) (resid  173 and name N    )
       (resid  173 and name CA   ) (resid  173 and name C    )    1.0 -135.3   31.6 2
assign (resid  173 and name N    ) (resid  173 and name CA   )
       (resid  173 and name C    ) (resid  174 and name N    )    1.0  160.3   20.0 2
assign (resid  173 and name C    ) (resid  174 and name N    )
       (resid  174 and name CA   ) (resid  174 and name C    )    1.0 -142.1   38.2 2
assign (resid  174 and name N    ) (resid  174 and name CA   )
       (resid  174 and name C    ) (resid  175 and name N    )    1.0  147.6   20.1 2
assign (resid  174 and name C    ) (resid  175 and name N    )
       (resid  175 and name CA   ) (resid  175 and name C    )    1.0  -84.4   30.4 2
assign (resid  175 and name N    ) (resid  175 and name CA   )
       (resid  175 and name C    ) (resid  176 and name N    )    1.0  143.4   22.5 2
assign (resid  176 and name C    ) (resid  177 and name N    )
       (resid  177 and name CA   ) (resid  177 and name C    )    1.0 -105.3   34.8 2
assign (resid  177 and name N    ) (resid  177 and name CA   )
       (resid  177 and name C    ) (resid  178 and name N    )    1.0  126.1   34.2 2
! Fast                        
 assign ( resid 23 and name N ) ( resid 23 and name HN ) ( resid 8 and name O ) ! temp 
 assign ( resid 33 and name N ) ( resid 33 and name HN ) ( resid 30 and name O )   
 assign ( resid 41 and name N ) ( resid 41 and name HN ) ( resid 9 and name O )   
 assign ( resid 42 and name N ) ( resid 42 and name HN ) ( resid 65 and name O )   
 assign ( resid 49 and name N ) ( resid 49 and name HN ) ( resid 60 and name O )   
 assign ( resid 50 and name N ) ( resid 50 and name HN ) ( resid 82 and name O )   
 assign ( resid 65 and name N ) ( resid 65 and name HN ) ( resid 42 and name O )   
 assign ( resid 67 and name N ) ( resid 67 and name HN ) ( resid 40 and name O )   
! assign ( resid 79 and name N ) ( resid 79 and name HN ) ( resid  and name O ) ! no partner
 assign ( resid 80 and name N ) ( resid 80 and name HN ) ( resid 37 and name SG )   
 assign ( resid 101 and name N ) ( resid 101 and name HN ) ( resid 105 and name O )   
 assign ( resid 105 and name N ) ( resid 105 and name HN ) ( resid 101 and name O )   
 assign ( resid 113 and name N ) ( resid 113 and name HN ) ( resid 111 and name OG1 ) ! Joined 
 assign ( resid 175 and name N ) ( resid 175 and name HN ) ( resid 114 and name O ) ! Joined 
 assign ( resid 126 and name N ) ( resid 126 and name HN ) ( resid 100 and name OE1 )   
 assign ( resid 127 and name N ) ( resid 127 and name HN ) ( resid 168 and name O )   
 assign ( resid 142 and name N ) ( resid 142 and name HN ) ( resid 146 and name O )   
 assign ( resid 144 and name N ) ( resid 144 and name HN ) ( resid 116 and name O )   
 assign ( resid 145 and name N ) ( resid 145 and name HN ) ( resid 172 and name OG )   
 assign ( resid 159 and name N ) ( resid 159 and name HN ) ( resid 162 and name OD1 )   
 assign ( resid 162 and name N ) ( resid 162 and name HN ) ( resid 159 and name O )   
 assign ( resid 163 and name N ) ( resid 163 and name HN ) ( resid 160 and name O )   
 assign ( resid 172 and name N ) ( resid 172 and name HN ) ( resid 140 and name O )   
 assign ( resid 178 and name N ) ( resid 178 and name HN ) ( resid 89 and name O )   
                         
! Med                        
 assign ( resid 16 and name N ) ( resid 16 and name HN ) ( resid 39 and name OG )   
 assign ( resid 17 and name N ) ( resid 17 and name HN ) ( resid 14 and name O )   
 assign ( resid 21 and name N ) ( resid 21 and name HN ) ( resid 10 and name O ) ! Joined 
 assign ( resid 110 and name N ) ( resid 110 and name HN ) ( resid 110 and name OE1 ) ! Joined 
 assign ( resid 32 and name N ) ( resid 32 and name HN ) ( resid 29 and name O )   
 assign ( resid 51 and name N ) ( resid 51 and name HN ) ( resid 58 and name O )   
 assign ( resid 52 and name N ) ( resid 52 and name HN ) ( resid 56 and name O )   
 assign ( resid 76 and name N ) ( resid 76 and name HN ) ( resid 60 and name OH ) ! unlikely 
 assign ( resid 83 and name N ) ( resid 83 and name HN ) ( resid 27 and name O )   
 assign ( resid 83 and name N ) ( resid 83 and name HN ) ( resid 27 and name SG ) ! alt 
 assign ( resid 84 and name N ) ( resid 84 and name HN ) ( resid 48 and name O )   
 assign ( resid 93 and name N ) ( resid 93 and name HN ) ( resid 90 and name O )   
 assign ( resid 107 and name N ) ( resid 107 and name HN ) ( resid 100 and name OE1 ) ! conflict 
 assign ( resid 115 and name N ) ( resid 115 and name HN ) ( resid 173 and name O )   
 assign ( resid 120 and name N ) ( resid 120 and name HN ) ( resid 117 and name OG )   
 assign ( resid 124 and name N ) ( resid 124 and name HN ) ( resid 118 and name O )   
 assign ( resid 141 and name N ) ( resid 141 and name HN ) ( resid 148 and name O )   
 assign ( resid 150 and name N ) ( resid 150 and name HN ) ( resid 139 and name O )   
 assign ( resid 164 and name N ) ( resid 164 and name HN ) ( resid 161 and name O )   
 assign ( resid 167 and name N ) ( resid 167 and name HN ) ( resid 160 and name O ) ! unlikely 
                         
! slow                        
 assign ( resid 11 and name N ) ( resid 11 and name HN ) ( resid 39 and name O )   
 assign ( resid 34 and name N ) ( resid 34 and name HN ) ( resid 31 and name O )   
 assign ( resid 56 and name N ) ( resid 56 and name HN ) ( resid 52 and name O )   
! assign ( resid 177 and name N ) ( resid 177 and name HN ) ( resid  and name O ) ! noaccept 
assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 2 and name N )
 ( resid 2 and name HN ) 1.67210276  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 3 and name N )
 ( resid 3 and name HN ) 3.87185404  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 4 and name N )
 ( resid 4 and name HN ) -14.4150982  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 5 and name N )
 ( resid 5 and name HN ) -9.24965424  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 6 and name N )
 ( resid 6 and name HN ) 12.22831524  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 7 and name N )
 ( resid 7 and name HN ) 12.87186812  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 8 and name N )
 ( resid 8 and name HN ) 20.9276264  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 9 and name N )
 ( resid 9 and name HN ) 17.5558632  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 10 and name N )
 ( resid 10 and name HN ) 13.18878144  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 11 and name N )
 ( resid 11 and name HN ) -9.54630456  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 12 and name N )
 ( resid 12 and name HN ) -21.14565628  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 13 and name N )
 ( resid 13 and name HN ) -10.25550956  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 14 and name N )
 ( resid 14 and name HN ) 9.40689512  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 15 and name N )
 ( resid 15 and name HN ) -35.61911192  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 16 and name N )
 ( resid 16 and name HN ) -28.30011632  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 17 and name N )
 ( resid 17 and name HN ) -11.90167568  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 18 and name N )
 ( resid 18 and name HN ) -27.81947796  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 19 and name N )
 ( resid 19 and name HN ) 20.9276264  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 20 and name N )
 ( resid 20 and name HN ) 19.7442672  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 21 and name N )
 ( resid 21 and name HN ) 1.0577286  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 22 and name N )
 ( resid 22 and name HN ) -7.8782544  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 23 and name N )
 ( resid 23 and name HN ) 21.33450744  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 24 and name N )
 ( resid 24 and name HN ) 15.60332052  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 25 and name N )
 ( resid 25 and name HN ) 3.02242908 3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 26 and name N )
 ( resid 26 and name HN ) 2.66012664  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 27 and name N )
 ( resid 27 and name HN ) -22.69456  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 28 and name N )
 ( resid 28 and name HN ) -31.94178268  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 29 and name N )
 ( resid 29 and name HN ) 8.45939724  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 30 and name N )
 ( resid 30 and name HN ) -14.14114244  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 31 and name N )
 ( resid 31 and name HN ) -30.84920172  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 32 and name N )
 ( resid 32 and name HN ) -5.9897428  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 33 and name N )
 ( resid 33 and name HN ) -42.48502684  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 34 and name N )
 ( resid 34 and name HN ) -18.73030668  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 35 and name N )
 ( resid 35 and name HN ) -24.33343144  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 36 and name N )
 ( resid 36 and name HN ) -1.26116912  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 37 and name N )
 ( resid 37 and name HN ) -11.91545452  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 38 and name N )
 ( resid 38 and name HN ) -10.41437148  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 39 and name N )
 ( resid 39 and name HN ) 23.19465084  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 40 and name N )
 ( resid 40 and name HN ) 23.87224556  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 41 and name N )
 ( resid 41 and name HN ) 17.46751652  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 42 and name N )
 ( resid 42 and name HN ) -22.69456  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 43 and name N )
 ( resid 43 and name HN ) 24.6033346  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 44 and name N )
 ( resid 44 and name HN ) 22.94257912  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 45 and name N )
 ( resid 45 and name HN ) 14.54234984  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 46 and name N )
 ( resid 46 and name HN ) 6.96804044  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 47 and name N )
 ( resid 47 and name HN ) 21.42690672  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 47 and name NE1 )
 ( resid 47 and name HE1 ) -27.0875784  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 48 and name N )
 ( resid 48 and name HN ) 17.63610468  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 49 and name N )
 ( resid 49 and name HN ) 6.28071948  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 50 and name N )
 ( resid 50 and name HN ) -12.17482092  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 51 and name N )
 ( resid 51 and name HN ) -30.12540736  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 52 and name N )
 ( resid 52 and name HN ) -35.84362596  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 54 and name N )
 ( resid 54 and name HN ) -23.16790368  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 55 and name N )
 ( resid 55 and name HN ) -11.9268018  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 56 and name N )
 ( resid 56 and name HN ) -42.7873508  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 57 and name N )
 ( resid 57 and name HN ) -27.6063112  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 58 and name N )
 ( resid 58 and name HN ) -9.6492406  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 61 and name N )
 ( resid 61 and name HN ) 0.81700416  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 62 and name N )
 ( resid 62 and name HN ) 20.06037  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 64 and name N )
 ( resid 64 and name HN ) -10.57404392  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 65 and name N )
 ( resid 65 and name HN ) 6.1923728  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 66 and name N )
 ( resid 66 and name HN ) 16.42194572  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 67 and name N )
 ( resid 67 and name HN ) -26.97248456  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 69 and name N )
 ( resid 69 and name HN ) -27.8332568  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 70 and name N )
 ( resid 70 and name HN ) -16.595397  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 71 and name N )
 ( resid 71 and name HN ) -27.43853356  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 72 and name N )
 ( resid 72 and name HN ) -32.96141684  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 73 and name N )
 ( resid 73 and name HN ) -2.3464554  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 73 and name NE1 )
 ( resid 73 and name HE1 ) 25.69510504  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 74 and name N )
 ( resid 74 and name HN ) -3.86699092  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 75 and name N )
 ( resid 75 and name HN ) -11.16653404  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 76 and name N )
 ( resid 76 and name HN ) 14.16707908  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 77 and name N )
 ( resid 77 and name HN ) 21.03947816  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 78 and name N )
 ( resid 78 and name HN ) 15.82702404  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 79 and name N )
 ( resid 79 and name HN ) -15.379617  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 80 and name N )
 ( resid 80 and name HN ) -40.06724568  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 81 and name N )
 ( resid 81 and name HN ) -45.19621624  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 82 and name N )
 ( resid 82 and name HN ) 16.36764088  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 83 and name N )
 ( resid 83 and name HN ) 16.08557992  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 84 and name N )
 ( resid 84 and name HN ) 17.89790264  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 85 and name N )
 ( resid 85 and name HN ) 20.23625284  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 86 and name N )
 ( resid 86 and name HN ) 1.14931736  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 87 and name N )
 ( resid 87 and name HN ) 7.618888  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 88 and name N )
 ( resid 88 and name HN ) -27.9953608  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 90 and name N )
 ( resid 90 and name HN ) 14.27001512  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 91 and name N )
 ( resid 91 and name HN ) -1.35194736  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 92 and name N )
 ( resid 92 and name HN ) -9.90536492  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 93 and name N )
 ( resid 93 and name HN ) 11.9794856  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 94 and name N )
 ( resid 94 and name HN ) -26.29894244  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 96 and name N )
 ( resid 96 and name HN ) 18.43851948  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 97 and name N )
 ( resid 97 and name HN ) 0.29421876  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 99 and name N )
 ( resid 99 and name HN ) -27.91511932  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 100 and name N )
 ( resid 100 and name HN ) -19.24093428  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 101 and name N )
 ( resid 101 and name HN ) 11.16167092  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 102 and name N )
 ( resid 102 and name HN ) 16.26632588  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 104 and name N )
 ( resid 104 and name HN ) -27.5941534  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 105 and name N )
 ( resid 105 and name HN ) -17.26488652  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 106 and name N )
 ( resid 106 and name HN ) -20.2711052  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 107 and name N )
 ( resid 107 and name HN ) 20.31001016  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 108 and name N )
 ( resid 108 and name HN ) -32.15494944  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 109 and name N )
 ( resid 109 and name HN ) -10.9460726  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 110 and name N )
 ( resid 110 and name HN ) -12.51929192  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 111 and name N )
 ( resid 111 and name HN ) 8.10601052  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 112 and name N )
 ( resid 112 and name HN ) -11.8376446  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 113 and name N )
 ( resid 113 and name HN ) -20.26137896  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 114 and name N )
 ( resid 114 and name HN ) 10.47678152  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 115 and name N )
 ( resid 115 and name HN ) -6.90481988  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 117 and name N )
 ( resid 117 and name HN ) 5.66067168  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 118 and name N )
 ( resid 118 and name HN ) -20.56856604  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 119 and name N )
 ( resid 119 and name HN ) -36.66549324  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 120 and name N )
 ( resid 120 and name HN ) -42.13812428  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 121 and name N )
 ( resid 121 and name HN ) -26.65719228  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 122 and name N )
 ( resid 122 and name HN ) -29.2840876  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 123 and name N )
 ( resid 123 and name HN ) -2.087089  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 124 and name N )
 ( resid 124 and name HN ) -6.0545844  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 125 and name N )
 ( resid 125 and name HN ) -21.0208362  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 126 and name N )
 ( resid 126 and name HN ) -34.91639108  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 127 and name N )
 ( resid 127 and name HN ) -27.87621436  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 129 and name N )
 ( resid 129 and name HN ) 21.16105616  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 130 and name N )
 ( resid 130 and name HN ) 17.49345316  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 134 and name N )
 ( resid 134 and name HN ) 13.99119624  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 137 and name NE1 )
 ( resid 137 and name HE1 ) 24.06514932  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 138 and name N )
 ( resid 138 and name HN ) -22.69456  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 139 and name N )
 ( resid 139 and name HN ) 2.7314524  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 140 and name N )
 ( resid 140 and name HN ) -25.9731134  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 141 and name N )
 ( resid 141 and name HN ) -22.69456  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 142 and name N )
 ( resid 142 and name HN ) -22.67510752  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 144 and name N )
 ( resid 144 and name HN ) -34.03049272  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 145 and name N )
 ( resid 145 and name HN ) -41.41676148  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 146 and name N )
 ( resid 146 and name HN ) -40.21557084  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 147 and name N )
 ( resid 147 and name HN ) -29.7744522  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 148 and name N )
 ( resid 148 and name HN ) 4.40193412  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 150 and name N )
 ( resid 150 and name HN ) -1.11608604  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 151 and name N )
 ( resid 151 and name HN ) 3.62059284  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 152 and name N )
 ( resid 152 and name HN ) -22.69456  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 156 and name N )
 ( resid 156 and name HN ) -22.69456  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 158 and name N )
 ( resid 158 and name HN ) -6.48497052  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 159 and name N )
 ( resid 159 and name HN ) -23.3672916  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 161 and name N )
 ( resid 161 and name HN ) -20.56127136  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 162 and name N )
 ( resid 162 and name HN ) -35.3710928  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 163 and name N )
 ( resid 163 and name HN ) -0.25288224  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 163 and name NE1 )
 ( resid 163 and name HE1 ) 20.891153  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 164 and name N )
 ( resid 164 and name HN ) -4.1417572  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 165 and name N )
 ( resid 165 and name HN ) -17.41159064  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 166 and name N )
 ( resid 166 and name HN ) -13.9733648  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 167 and name N )
 ( resid 167 and name HN ) 3.46010988  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 169 and name N )
 ( resid 169 and name HN ) 5.08114988  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 170 and name N )
 ( resid 170 and name HN ) -34.91477004  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 171 and name N )
 ( resid 171 and name HN ) 23.46698556  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 172 and name N )
 ( resid 172 and name HN ) 13.08098228  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 173 and name N )
 ( resid 173 and name HN ) 14.8365686  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 174 and name N )
 ( resid 174 and name HN ) 25.3368552  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 175 and name N )
 ( resid 175 and name HN ) -5.92814328  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 176 and name N )
 ( resid 176 and name HN ) 3.24451156  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 177 and name N )
 ( resid 177 and name HN ) 9.57386224  3.01

assign  ( resid 600 and name OO )
 ( resid 600 and name Z )
 ( resid 600 and name X )
 ( resid 600 and name Y )
 ( resid 178 and name N )
 ( resid 178 and name HN ) -2.41778116  3.01


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1 -43.814   4.597 -24.225
    2    H2   GLY   1           HT2      GLY   1 -43.801   3.010 -24.832
    3    H3   GLY   1           HT3      GLY   1 -42.862   3.411 -23.473
    4    HA2  GLY   1           HA2      GLY   1 -44.829   3.810 -22.163
    5    HA3  GLY   1           HA1      GLY   1 -45.829   3.468 -23.576
    6    H    SER   2           HN       SER   2 -46.847   1.632 -22.896
    7    HA   SER   2           HA       SER   2 -45.248  -0.604 -21.866
    8    HB2  SER   2           HB2      SER   2 -47.493  -1.645 -21.461
    9    HB3  SER   2           HB1      SER   2 -47.257  -0.121 -20.613
   10    HG   SER   2           HG       SER   2 -48.572   0.882 -22.031
   11    H    LYS   3           HN       LYS   3 -47.985  -1.769 -23.252
   12    HA   LYS   3           HA       LYS   3 -48.211  -3.403 -24.927
   13    HB2  LYS   3           HB2      LYS   3 -47.321  -1.270 -26.798
   14    HB3  LYS   3           HB1      LYS   3 -48.733  -2.326 -26.872
   15    HG2  LYS   3           HG2      LYS   3 -49.830  -0.514 -26.153
   16    HG3  LYS   3           HG1      LYS   3 -49.243  -0.979 -24.579
   17    HD2  LYS   3           HD2      LYS   3 -48.274   1.065 -24.469
   18    HD3  LYS   3           HD1      LYS   3 -47.113   0.462 -25.643
   19    HE2  LYS   3           HE2      LYS   3 -48.649   2.684 -26.019
   20    HE3  LYS   3           HE1      LYS   3 -47.983   1.722 -27.333
   21    HZ1  LYS   3           HZ1      LYS   3 -50.571   0.959 -26.174
   22    HZ2  LYS   3           HZ2      LYS   3 -49.987   0.744 -27.756
   23    HZ3  LYS   3           HZ3      LYS   3 -50.507   2.276 -27.237
   24    H    THR   4           HN       THR   4 -45.472  -3.317 -23.890
   25    HA   THR   4           HA       THR   4 -44.178  -5.152 -25.414
   26    HB   THR   4           HB       THR   4 -44.179  -3.769 -27.382
   27    HG1  THR   4           HG1      THR   4 -41.712  -3.978 -26.041
   28   HG21  THR   4          HG21      THR   4 -44.461  -1.556 -26.772
   29   HG22  THR   4          HG22      THR   4 -42.730  -1.550 -27.105
   30   HG23  THR   4          HG23      THR   4 -43.306  -1.666 -25.443
   31    H    GLY   5           HN       GLY   5 -43.811  -2.386 -23.280
   32    HA2  GLY   5           HA2      GLY   5 -41.013  -2.773 -22.795
   33    HA3  GLY   5           HA1      GLY   5 -42.121  -1.794 -21.839
   34    H    THR   6           HN       THR   6 -40.344  -4.668 -21.961
   35    HA   THR   6           HA       THR   6 -41.945  -5.975 -19.877
   36    HB   THR   6           HB       THR   6 -40.365  -7.848 -20.168
   37    HG1  THR   6           HG1      THR   6 -39.101  -5.949 -21.821
   38   HG21  THR   6          HG21      THR   6 -41.718  -6.646 -22.554
   39   HG22  THR   6          HG22      THR   6 -42.129  -8.106 -21.655
   40   HG23  THR   6          HG23      THR   6 -40.750  -8.106 -22.753
   41    H    LYS   7           HN       LYS   7 -41.537  -5.278 -17.872
   42    HA   LYS   7           HA       LYS   7 -38.819  -4.333 -17.224
   43    HB2  LYS   7           HB2      LYS   7 -40.325  -2.641 -16.702
   44    HB3  LYS   7           HB1      LYS   7 -41.548  -3.777 -16.129
   45    HG2  LYS   7           HG2      LYS   7 -40.353  -4.212 -14.113
   46    HG3  LYS   7           HG1      LYS   7 -38.882  -3.450 -14.734
   47    HD2  LYS   7           HD2      LYS   7 -39.818  -1.277 -14.564
   48    HD3  LYS   7           HD1      LYS   7 -41.450  -1.904 -14.374
   49    HE2  LYS   7           HE2      LYS   7 -41.020  -2.675 -12.169
   50    HE3  LYS   7           HE1      LYS   7 -39.273  -2.527 -12.373
   51    HZ1  LYS   7           HZ1      LYS   7 -39.324  -0.359 -11.889
   52    HZ2  LYS   7           HZ2      LYS   7 -40.851  -0.676 -11.215
   53    HZ3  LYS   7           HZ3      LYS   7 -40.726  -0.073 -12.799
   54    H    ILE   8           HN       ILE   8 -37.711  -5.015 -15.372
   55    HA   ILE   8           HA       ILE   8 -38.861  -7.249 -13.853
   56    HB   ILE   8           HB       ILE   8 -37.507  -8.219 -15.714
   57   HG12  ILE   8          HG12      ILE   8 -36.089  -8.625 -13.074
   58   HG13  ILE   8          HG11      ILE   8 -37.734  -9.209 -13.336
   59   HG21  ILE   8          HG21      ILE   8 -35.109  -7.892 -15.743
   60   HG22  ILE   8          HG22      ILE   8 -35.184  -6.882 -14.302
   61   HG23  ILE   8          HG23      ILE   8 -35.882  -6.310 -15.817
   62   HD11  ILE   8          HD11      ILE   8 -37.039 -10.627 -15.139
   63   HD12  ILE   8          HD12      ILE   8 -35.892 -10.896 -13.826
   64   HD13  ILE   8          HD13      ILE   8 -35.442  -9.881 -15.196
   65    H    THR   9           HN       THR   9 -38.329  -7.198 -11.715
   66    HA   THR   9           HA       THR   9 -36.320  -5.189 -10.907
   67    HB   THR   9           HB       THR   9 -38.820  -5.968  -9.391
   68    HG1  THR   9           HG1      THR   9 -38.195  -3.743 -11.026
   69   HG21  THR   9          HG21      THR   9 -36.449  -4.286  -8.830
   70   HG22  THR   9          HG22      THR   9 -37.538  -5.101  -7.714
   71   HG23  THR   9          HG23      THR   9 -38.003  -3.559  -8.429
   72    H    PHE  10           HN       PHE  10 -34.831  -5.753  -9.418
   73    HA   PHE  10           HA       PHE  10 -34.935  -8.521  -8.381
   74    HB2  PHE  10           HB2      PHE  10 -32.477  -6.851  -8.973
   75    HB3  PHE  10           HB1      PHE  10 -32.514  -8.541  -8.470
   76    HD1  PHE  10           HD2      PHE  10 -33.530 -10.267 -10.001
   77    HD2  PHE  10           HD1      PHE  10 -32.790  -6.230 -11.254
   78    HE1  PHE  10           HE2      PHE  10 -33.725 -10.969 -12.372
   79    HE2  PHE  10           HE1      PHE  10 -32.982  -6.929 -13.624
   80    HZ   PHE  10           HZ       PHE  10 -33.451  -9.298 -14.184
   81    H    TYR  11           HN       TYR  11 -35.341  -8.494  -6.233
   82    HA   TYR  11           HA       TYR  11 -34.657  -6.115  -4.672
   83    HB2  TYR  11           HB2      TYR  11 -36.376  -8.536  -4.136
   84    HB3  TYR  11           HB1      TYR  11 -36.047  -7.312  -2.927
   85    HD1  TYR  11           HD1      TYR  11 -37.723  -8.022  -6.132
   86    HD2  TYR  11           HD2      TYR  11 -36.945  -5.066  -3.111
   87    HE1  TYR  11           HE1      TYR  11 -39.524  -6.597  -7.062
   88    HE2  TYR  11           HE2      TYR  11 -38.747  -3.637  -4.045
   89    HH   TYR  11           HH       TYR  11 -40.602  -3.687  -5.428
   90    H    GLU  12           HN       GLU  12 -33.264  -6.113  -3.000
   91    HA   GLU  12           HA       GLU  12 -31.143  -7.971  -2.956
   92    HB2  GLU  12           HB2      GLU  12 -31.470  -5.499  -1.972
   93    HB3  GLU  12           HB1      GLU  12 -31.708  -6.420  -0.491
   94    HG2  GLU  12           HG2      GLU  12 -29.387  -7.029  -2.316
   95    HG3  GLU  12           HG1      GLU  12 -29.279  -5.706  -1.168
   96    H    ASP  13           HN       ASP  13 -33.823  -7.440  -0.664
   97    HA   ASP  13           HA       ASP  13 -33.279 -10.039   0.563
   98    HB2  ASP  13           HB2      ASP  13 -35.048  -7.736   1.390
   99    HB3  ASP  13           HB1      ASP  13 -34.994  -9.272   2.241
  100    H    LYS  14           HN       LYS  14 -35.585 -10.926   1.396
  101    HA   LYS  14           HA       LYS  14 -36.931 -11.763  -1.038
  102    HB2  LYS  14           HB2      LYS  14 -37.110 -12.568   1.856
  103    HB3  LYS  14           HB1      LYS  14 -38.269 -13.147   0.662
  104    HG2  LYS  14           HG2      LYS  14 -36.776 -14.788   0.222
  105    HG3  LYS  14           HG1      LYS  14 -35.837 -13.550  -0.606
  106    HD2  LYS  14           HD2      LYS  14 -34.507 -14.830   1.076
  107    HD3  LYS  14           HD1      LYS  14 -34.565 -13.101   1.417
  108    HE2  LYS  14           HE2      LYS  14 -35.775 -13.389   3.328
  109    HE3  LYS  14           HE1      LYS  14 -36.748 -14.686   2.636
  110    HZ1  LYS  14           HZ1      LYS  14 -33.960 -14.909   3.631
  111    HZ2  LYS  14           HZ2      LYS  14 -34.823 -16.162   2.874
  112    HZ3  LYS  14           HZ3      LYS  14 -35.348 -15.547   4.368
  113    H    ASN  15           HN       ASN  15 -39.413 -12.110  -0.590
  114    HA   ASN  15           HA       ASN  15 -41.434 -11.054  -0.743
  115    HB2  ASN  15           HB2      ASN  15 -40.604  -9.555   1.729
  116    HB3  ASN  15           HB1      ASN  15 -42.205 -10.134   1.283
  117   HD21  ASN  15          HD21      ASN  15 -40.712 -12.769   0.393
  118   HD22  ASN  15          HD22      ASN  15 -40.520 -13.590   1.868
  119    H    PHE  16           HN       PHE  16 -39.088  -9.726  -1.973
  120    HA   PHE  16           HA       PHE  16 -38.590  -7.800  -3.098
  121    HB2  PHE  16           HB2      PHE  16 -41.333  -6.712  -2.643
  122    HB3  PHE  16           HB1      PHE  16 -40.358  -6.719  -4.109
  123    HD1  PHE  16           HD2      PHE  16 -39.924  -9.007  -5.240
  124    HD2  PHE  16           HD1      PHE  16 -42.992  -8.345  -2.308
  125    HE1  PHE  16           HE2      PHE  16 -41.105 -11.042  -6.015
  126    HE2  PHE  16           HE1      PHE  16 -44.171 -10.383  -3.082
  127    HZ   PHE  16           HZ       PHE  16 -43.229 -11.731  -4.937
  128    H    GLN  17           HN       GLN  17 -37.851  -7.761  -0.421
  129    HA   GLN  17           HA       GLN  17 -38.486  -5.000   0.426
  130    HB2  GLN  17           HB2      GLN  17 -37.531  -7.338   2.095
  131    HB3  GLN  17           HB1      GLN  17 -37.899  -5.722   2.696
  132    HG2  GLN  17           HG2      GLN  17 -40.234  -5.956   2.021
  133    HG3  GLN  17           HG1      GLN  17 -39.891  -7.531   1.299
  134   HE21  GLN  17          HE21      GLN  17 -39.065  -9.248   2.853
  135   HE22  GLN  17          HE22      GLN  17 -39.610  -9.200   4.465
  136    H    GLY  18           HN       GLY  18 -36.743  -3.833   1.510
  137    HA2  GLY  18           HA2      GLY  18 -34.555  -3.201   1.825
  138    HA3  GLY  18           HA1      GLY  18 -34.046  -4.750   1.184
  139    H    ARG  19           HN       ARG  19 -32.504  -3.966  -0.070
  140    HA   ARG  19           HA       ARG  19 -32.618  -1.782  -1.871
  141    HB2  ARG  19           HB2      ARG  19 -30.643  -3.617  -1.230
  142    HB3  ARG  19           HB1      ARG  19 -31.017  -4.005  -2.911
  143    HG2  ARG  19           HG2      ARG  19 -30.887  -1.477  -3.352
  144    HG3  ARG  19           HG1      ARG  19 -30.114  -1.366  -1.771
  145    HD2  ARG  19           HD2      ARG  19 -29.053  -3.436  -3.624
  146    HD3  ARG  19           HD1      ARG  19 -28.719  -1.762  -4.045
  147    HE   ARG  19           HE       ARG  19 -27.456  -3.234  -1.982
  148   HH11  ARG  19          HH21      ARG  19 -28.866  -0.141  -2.659
  149   HH12  ARG  19          HH22      ARG  19 -27.839   0.719  -1.561
  150   HH21  ARG  19          HH11      ARG  19 -26.103  -2.105  -0.550
  151   HH22  ARG  19          HH12      ARG  19 -26.276  -0.391  -0.371
  152    H    ARG  20           HN       ARG  20 -32.622  -2.026  -4.398
  153    HA   ARG  20           HA       ARG  20 -33.915  -4.272  -5.511
  154    HB2  ARG  20           HB2      ARG  20 -36.085  -3.351  -5.999
  155    HB3  ARG  20           HB1      ARG  20 -35.835  -3.222  -4.258
  156    HG2  ARG  20           HG2      ARG  20 -36.430  -1.050  -4.571
  157    HG3  ARG  20           HG1      ARG  20 -34.759  -0.862  -5.105
  158    HD2  ARG  20           HD2      ARG  20 -35.682  -1.580  -7.450
  159    HD3  ARG  20           HD1      ARG  20 -37.250  -1.153  -6.765
  160    HE   ARG  20           HE       ARG  20 -35.014   0.786  -6.775
  161   HH11  ARG  20          HH21      ARG  20 -38.278  -0.138  -7.514
  162   HH12  ARG  20          HH22      ARG  20 -38.751   1.450  -8.009
  163   HH21  ARG  20          HH11      ARG  20 -35.643   2.859  -7.423
  164   HH22  ARG  20          HH12      ARG  20 -37.265   3.142  -7.960
  165    H    TYR  21           HN       TYR  21 -34.074  -4.053  -7.844
  166    HA   TYR  21           HA       TYR  21 -32.964  -1.537  -8.911
  167    HB2  TYR  21           HB2      TYR  21 -31.217  -3.364  -8.817
  168    HB3  TYR  21           HB1      TYR  21 -32.220  -4.282  -9.938
  169    HD1  TYR  21           HD1      TYR  21 -30.843  -0.811  -9.546
  170    HD2  TYR  21           HD2      TYR  21 -31.810  -4.034 -12.215
  171    HE1  TYR  21           HE1      TYR  21 -29.895   0.474 -11.440
  172    HE2  TYR  21           HE2      TYR  21 -30.860  -2.750 -14.109
  173    HH   TYR  21           HH       TYR  21 -28.872  -0.611 -14.061
  174    H    ASP  22           HN       ASP  22 -34.069  -0.750 -10.602
  175    HA   ASP  22           HA       ASP  22 -36.123  -2.484 -11.841
  176    HB2  ASP  22           HB2      ASP  22 -37.434  -0.436 -12.224
  177    HB3  ASP  22           HB1      ASP  22 -37.136  -0.701 -10.511
  178    H    CYS  23           HN       CYS  23 -35.978  -2.808 -13.973
  179    HA   CYS  23           HA       CYS  23 -34.745  -0.829 -15.708
  180    HB2  CYS  23           HB2      CYS  23 -33.309  -3.133 -14.740
  181    HB3  CYS  23           HB1      CYS  23 -33.555  -3.270 -16.475
  182    HG   CYS  23           HG       CYS  23 -31.381  -1.754 -15.682
  183    H    ASP  24           HN       ASP  24 -35.571  -0.909 -17.757
  184    HA   ASP  24           HA       ASP  24 -37.382  -3.147 -18.383
  185    HB2  ASP  24           HB2      ASP  24 -38.974  -1.661 -19.288
  186    HB3  ASP  24           HB1      ASP  24 -38.481  -0.917 -17.769
  187    H    CYS  25           HN       CYS  25 -34.500  -2.483 -19.138
  188    HA   CYS  25           HA       CYS  25 -34.814  -3.058 -21.978
  189    HB2  CYS  25           HB2      CYS  25 -34.394  -0.413 -21.216
  190    HB3  CYS  25           HB1      CYS  25 -32.780  -0.993 -21.625
  191    HG   CYS  25           HG       CYS  25 -35.020  -0.487 -23.611
  192    H    ASP  26           HN       ASP  26 -32.994  -4.019 -22.907
  193    HA   ASP  26           HA       ASP  26 -31.536  -5.819 -21.533
  194    HB2  ASP  26           HB2      ASP  26 -29.900  -5.794 -23.359
  195    HB3  ASP  26           HB1      ASP  26 -31.541  -5.670 -23.982
  196    H    CYS  27           HN       CYS  27 -29.342  -5.966 -20.823
  197    HA   CYS  27           HA       CYS  27 -27.831  -3.557 -20.311
  198    HB2  CYS  27           HB2      CYS  27 -29.713  -4.239 -18.391
  199    HB3  CYS  27           HB1      CYS  27 -28.218  -4.930 -17.767
  200    HG   CYS  27           HG       CYS  27 -28.814  -2.104 -17.509
  201    H    ALA  28           HN       ALA  28 -25.768  -4.073 -19.164
  202    HA   ALA  28           HA       ALA  28 -24.794  -6.689 -20.088
  203    HB1  ALA  28           HB1      ALA  28 -22.626  -5.778 -20.045
  204    HB2  ALA  28           HB2      ALA  28 -23.092  -4.485 -18.940
  205    HB3  ALA  28           HB3      ALA  28 -23.635  -4.450 -20.617
  206    H    ASP  29           HN       ASP  29 -24.456  -4.611 -17.220
  207    HA   ASP  29           HA       ASP  29 -24.711  -6.924 -15.457
  208    HB2  ASP  29           HB2      ASP  29 -22.381  -7.063 -15.712
  209    HB3  ASP  29           HB1      ASP  29 -22.188  -5.310 -15.760
  210    H    PHE  30           HN       PHE  30 -26.312  -6.229 -14.197
  211    HA   PHE  30           HA       PHE  30 -26.303  -3.444 -13.231
  212    HB2  PHE  30           HB2      PHE  30 -28.575  -3.557 -13.068
  213    HB3  PHE  30           HB1      PHE  30 -28.360  -4.816 -14.280
  214    HD1  PHE  30           HD2      PHE  30 -28.242  -7.232 -13.527
  215    HD2  PHE  30           HD1      PHE  30 -29.415  -4.053 -10.906
  216    HE1  PHE  30           HE2      PHE  30 -29.273  -8.881 -11.989
  217    HE2  PHE  30           HE1      PHE  30 -30.448  -5.698  -9.368
  218    HZ   PHE  30           HZ       PHE  30 -30.380  -8.113  -9.913
  219    H    HIS  31           HN       HIS  31 -24.941  -6.206 -12.295
  220    HA   HIS  31           HA       HIS  31 -25.747  -6.654  -9.644
  221    HB2  HIS  31           HB2      HIS  31 -24.235  -8.173 -10.864
  222    HB3  HIS  31           HB1      HIS  31 -22.971  -6.940 -10.822
  223    HD2  HIS  31           HD2      HIS  31 -21.572  -6.780  -8.404
  224    HE1  HIS  31           HE1      HIS  31 -23.888  -9.588  -6.266
  225    HE2  HIS  31           HE2      HIS  31 -21.798  -8.147  -6.192
  226    H    THR  32           HN       THR  32 -23.837  -4.155 -11.083
  227    HA   THR  32           HA       THR  32 -22.482  -3.231  -8.792
  228    HB   THR  32           HB       THR  32 -22.320  -1.072 -10.024
  229    HG1  THR  32           HG1      THR  32 -23.511  -0.740 -11.765
  230   HG21  THR  32          HG21      THR  32 -21.660  -3.727 -11.207
  231   HG22  THR  32          HG22      THR  32 -20.588  -2.415 -10.721
  232   HG23  THR  32          HG23      THR  32 -21.466  -2.316 -12.247
  233    H    TYR  33           HN       TYR  33 -25.785  -3.057  -9.725
  234    HA   TYR  33           HA       TYR  33 -26.375  -0.911  -7.812
  235    HB2  TYR  33           HB2      TYR  33 -28.105  -2.327  -9.844
  236    HB3  TYR  33           HB1      TYR  33 -28.662  -1.040  -8.776
  237    HD1  TYR  33           HD2      TYR  33 -27.219   1.176  -8.800
  238    HD2  TYR  33           HD1      TYR  33 -27.209  -1.759 -11.942
  239    HE1  TYR  33           HE2      TYR  33 -26.332   2.869 -10.380
  240    HE2  TYR  33           HE1      TYR  33 -26.320  -0.063 -13.518
  241    HH   TYR  33           HH       TYR  33 -26.118   2.256 -13.803
  242    H    LEU  34           HN       LEU  34 -26.417  -4.324  -8.075
  243    HA   LEU  34           HA       LEU  34 -27.829  -4.494  -5.499
  244    HB2  LEU  34           HB2      LEU  34 -29.333  -5.017  -7.525
  245    HB3  LEU  34           HB1      LEU  34 -28.369  -6.478  -7.698
  246    HG   LEU  34           HG       LEU  34 -28.895  -7.070  -5.345
  247   HD11  LEU  34          HD11      LEU  34 -29.558  -5.377  -4.007
  248   HD12  LEU  34          HD12      LEU  34 -31.136  -5.499  -4.785
  249   HD13  LEU  34          HD13      LEU  34 -29.943  -4.349  -5.388
  250   HD21  LEU  34          HD21      LEU  34 -30.322  -8.072  -6.987
  251   HD22  LEU  34          HD22      LEU  34 -31.198  -6.562  -7.242
  252   HD23  LEU  34          HD23      LEU  34 -31.395  -7.451  -5.732
  253    H    SER  35           HN       SER  35 -26.927  -5.916  -4.088
  254    HA   SER  35           HA       SER  35 -24.514  -7.330  -5.002
  255    HB2  SER  35           HB2      SER  35 -25.466  -6.294  -2.365
  256    HB3  SER  35           HB1      SER  35 -24.299  -7.614  -2.403
  257    HG   SER  35           HG       SER  35 -23.548  -5.289  -2.457
  258    H    ARG  36           HN       ARG  36 -27.755  -7.952  -4.335
  259    HA   ARG  36           HA       ARG  36 -27.294 -10.823  -4.410
  260    HB2  ARG  36           HB2      ARG  36 -27.264 -10.049  -1.941
  261    HB3  ARG  36           HB1      ARG  36 -28.982  -9.740  -2.173
  262    HG2  ARG  36           HG2      ARG  36 -29.176 -12.132  -3.025
  263    HG3  ARG  36           HG1      ARG  36 -27.541 -12.382  -2.410
  264    HD2  ARG  36           HD2      ARG  36 -29.939 -11.474  -0.797
  265    HD3  ARG  36           HD1      ARG  36 -29.180 -13.059  -0.718
  266    HE   ARG  36           HE       ARG  36 -28.018 -10.531   0.272
  267   HH11  ARG  36          HH21      ARG  36 -27.967 -13.991  -0.030
  268   HH12  ARG  36          HH22      ARG  36 -26.756 -14.207   1.188
  269   HH21  ARG  36          HH11      ARG  36 -26.436 -10.824   1.859
  270   HH22  ARG  36          HH12      ARG  36 -25.890 -12.420   2.254
  271    H    CYS  37           HN       CYS  37 -29.019 -11.908  -5.284
  272    HA   CYS  37           HA       CYS  37 -31.301 -10.222  -6.106
  273    HB2  CYS  37           HB2      CYS  37 -30.650 -12.849  -7.384
  274    HB3  CYS  37           HB1      CYS  37 -31.408 -11.419  -8.086
  275    HG   CYS  37           HG       CYS  37 -28.412 -11.948  -7.957
  276    H    ASN  38           HN       ASN  38 -32.789 -10.472  -4.569
  277    HA   ASN  38           HA       ASN  38 -33.774 -13.191  -4.018
  278    HB2  ASN  38           HB2      ASN  38 -33.578 -10.816  -2.153
  279    HB3  ASN  38           HB1      ASN  38 -34.527 -12.255  -1.809
  280   HD21  ASN  38          HD21      ASN  38 -32.593 -11.815   0.027
  281   HD22  ASN  38          HD22      ASN  38 -31.253 -12.838  -0.208
  282    H    SER  39           HN       SER  39 -36.074 -13.229  -3.737
  283    HA   SER  39           HA       SER  39 -38.109 -12.879  -4.736
  284    HB2  SER  39           HB2      SER  39 -39.149 -10.737  -3.869
  285    HB3  SER  39           HB1      SER  39 -38.485 -11.841  -2.676
  286    HG   SER  39           HG       SER  39 -37.873  -9.536  -2.507
  287    H    ILE  40           HN       ILE  40 -38.962 -12.417  -6.589
  288    HA   ILE  40           HA       ILE  40 -38.169  -9.958  -7.989
  289    HB   ILE  40           HB       ILE  40 -37.698 -12.747  -9.002
  290   HG12  ILE  40          HG12      ILE  40 -35.892 -10.383  -9.450
  291   HG13  ILE  40          HG11      ILE  40 -35.961 -11.079  -7.829
  292   HG21  ILE  40          HG21      ILE  40 -37.150 -11.395 -11.205
  293   HG22  ILE  40          HG22      ILE  40 -38.347 -10.271 -10.565
  294   HG23  ILE  40          HG23      ILE  40 -38.793 -11.947 -10.886
  295   HD11  ILE  40          HD11      ILE  40 -35.730 -13.064  -9.996
  296   HD12  ILE  40          HD12      ILE  40 -34.855 -12.954  -8.469
  297   HD13  ILE  40          HD13      ILE  40 -34.347 -11.982  -9.848
  298    H    LYS  41           HN       LYS  41 -39.650  -9.129  -9.357
  299    HA   LYS  41           HA       LYS  41 -41.965 -10.693 -10.143
  300    HB2  LYS  41           HB2      LYS  41 -43.468  -8.791  -9.186
  301    HB3  LYS  41           HB1      LYS  41 -42.925 -10.083  -8.113
  302    HG2  LYS  41           HG2      LYS  41 -41.314  -8.735  -7.083
  303    HG3  LYS  41           HG1      LYS  41 -41.261  -7.601  -8.427
  304    HD2  LYS  41           HD2      LYS  41 -42.474  -6.819  -6.301
  305    HD3  LYS  41           HD1      LYS  41 -43.333  -6.618  -7.828
  306    HE2  LYS  41           HE2      LYS  41 -44.810  -8.361  -7.387
  307    HE3  LYS  41           HE1      LYS  41 -43.701  -9.158  -6.268
  308    HZ1  LYS  41           HZ1      LYS  41 -44.050  -6.938  -4.946
  309    HZ2  LYS  41           HZ2      LYS  41 -45.157  -8.220  -4.811
  310    HZ3  LYS  41           HZ3      LYS  41 -45.505  -6.896  -5.817
  311    H    VAL  42           HN       VAL  42 -41.643 -10.256 -12.315
  312    HA   VAL  42           HA       VAL  42 -40.748  -7.807 -13.326
  313    HB   VAL  42           HB       VAL  42 -41.984 -10.317 -14.346
  314   HG11  VAL  42          HG11      VAL  42 -43.331  -8.812 -15.594
  315   HG12  VAL  42          HG12      VAL  42 -42.020  -9.284 -16.666
  316   HG13  VAL  42          HG13      VAL  42 -41.990  -7.718 -15.882
  317   HG21  VAL  42          HG21      VAL  42 -40.013 -10.325 -15.779
  318   HG22  VAL  42          HG22      VAL  42 -39.525 -10.010 -14.115
  319   HG23  VAL  42          HG23      VAL  42 -39.601  -8.688 -15.276
  320    H    GLU  43           HN       GLU  43 -41.896  -6.109 -14.348
  321    HA   GLU  43           HA       GLU  43 -44.785  -6.048 -13.798
  322    HB2  GLU  43           HB2      GLU  43 -42.731  -3.834 -13.633
  323    HB3  GLU  43           HB1      GLU  43 -44.471  -3.572 -13.578
  324    HG2  GLU  43           HG2      GLU  43 -44.392  -5.381 -11.663
  325    HG3  GLU  43           HG1      GLU  43 -42.696  -4.920 -11.568
  326    H    GLY  44           HN       GLY  44 -44.244  -7.157 -16.059
  327    HA2  GLY  44           HA2      GLY  44 -45.237  -5.404 -18.057
  328    HA3  GLY  44           HA1      GLY  44 -43.513  -5.661 -18.297
  329    H    GLY  45           HN       GLY  45 -42.798  -7.559 -19.169
  330    HA2  GLY  45           HA2      GLY  45 -44.803  -9.668 -19.682
  331    HA3  GLY  45           HA1      GLY  45 -43.753  -9.053 -20.952
  332    H    THR  46           HN       THR  46 -42.625 -10.924 -21.385
  333    HA   THR  46           HA       THR  46 -41.456 -12.495 -19.266
  334    HB   THR  46           HB       THR  46 -41.067 -12.645 -22.268
  335    HG1  THR  46           HG1      THR  46 -43.077 -13.363 -20.618
  336   HG21  THR  46          HG21      THR  46 -39.242 -13.756 -21.128
  337   HG22  THR  46          HG22      THR  46 -40.344 -14.988 -21.738
  338   HG23  THR  46          HG23      THR  46 -40.363 -14.558 -20.027
  339    H    TRP  47           HN       TRP  47 -39.121 -13.033 -19.315
  340    HA   TRP  47           HA       TRP  47 -37.335 -10.923 -20.261
  341    HB2  TRP  47           HB2      TRP  47 -38.175 -11.297 -17.464
  342    HB3  TRP  47           HB1      TRP  47 -36.437 -11.154 -17.709
  343    HD1  TRP  47           HD1      TRP  47 -39.542  -9.200 -17.469
  344    HE1  TRP  47           HE1      TRP  47 -39.022  -6.702 -17.846
  345    HE3  TRP  47           HE3      TRP  47 -34.894  -9.564 -19.518
  346    HZ2  TRP  47           HZ2      TRP  47 -36.932  -5.084 -18.948
  347    HZ3  TRP  47           HZ3      TRP  47 -33.698  -7.530 -20.271
  348    HH2  TRP  47           HH2      TRP  47 -34.707  -5.303 -19.991
  349    H    ALA  48           HN       ALA  48 -35.152 -11.486 -20.215
  350    HA   ALA  48           HA       ALA  48 -34.587 -14.353 -19.766
  351    HB1  ALA  48           HB1      ALA  48 -33.933 -14.244 -21.943
  352    HB2  ALA  48           HB2      ALA  48 -32.511 -13.420 -21.306
  353    HB3  ALA  48           HB3      ALA  48 -33.866 -12.483 -21.930
  354    H    VAL  49           HN       VAL  49 -33.422 -14.667 -17.972
  355    HA   VAL  49           HA       VAL  49 -31.564 -12.525 -17.125
  356    HB   VAL  49           HB       VAL  49 -31.904 -13.462 -14.800
  357   HG11  VAL  49          HG11      VAL  49 -33.007 -11.433 -15.163
  358   HG12  VAL  49          HG12      VAL  49 -34.342 -12.493 -14.716
  359   HG13  VAL  49          HG13      VAL  49 -34.051 -12.109 -16.412
  360   HG21  VAL  49          HG21      VAL  49 -32.904 -15.638 -15.742
  361   HG22  VAL  49          HG22      VAL  49 -34.390 -14.716 -15.976
  362   HG23  VAL  49          HG23      VAL  49 -33.723 -14.924 -14.357
  363    H    TYR  50           HN       TYR  50 -29.495 -13.027 -16.826
  364    HA   TYR  50           HA       TYR  50 -28.700 -15.845 -17.199
  365    HB2  TYR  50           HB2      TYR  50 -27.161 -13.270 -17.628
  366    HB3  TYR  50           HB1      TYR  50 -26.505 -14.890 -17.864
  367    HD1  TYR  50           HD1      TYR  50 -29.103 -12.499 -19.027
  368    HD2  TYR  50           HD2      TYR  50 -26.996 -16.156 -19.834
  369    HE1  TYR  50           HE1      TYR  50 -30.071 -12.553 -21.308
  370    HE2  TYR  50           HE2      TYR  50 -27.965 -16.208 -22.116
  371    HH   TYR  50           HH       TYR  50 -28.924 -14.661 -23.741
  372    H    GLU  51           HN       GLU  51 -28.164 -16.864 -15.388
  373    HA   GLU  51           HA       GLU  51 -27.968 -16.052 -12.855
  374    HB2  GLU  51           HB2      GLU  51 -27.627 -18.391 -13.660
  375    HB3  GLU  51           HB1      GLU  51 -25.967 -17.964 -14.084
  376    HG2  GLU  51           HG2      GLU  51 -25.545 -17.334 -11.720
  377    HG3  GLU  51           HG1      GLU  51 -27.191 -17.818 -11.309
  378    H    ARG  52           HN       ARG  52 -25.388 -15.725 -15.247
  379    HA   ARG  52           HA       ARG  52 -23.910 -14.016 -13.340
  380    HB2  ARG  52           HB2      ARG  52 -22.739 -15.500 -15.698
  381    HB3  ARG  52           HB1      ARG  52 -21.869 -14.674 -14.404
  382    HG2  ARG  52           HG2      ARG  52 -22.987 -16.274 -12.781
  383    HG3  ARG  52           HG1      ARG  52 -23.538 -17.188 -14.188
  384    HD2  ARG  52           HD2      ARG  52 -20.652 -16.468 -14.088
  385    HD3  ARG  52           HD1      ARG  52 -21.209 -17.700 -12.967
  386    HE   ARG  52           HE       ARG  52 -22.194 -18.278 -15.554
  387   HH11  ARG  52          HH21      ARG  52 -19.273 -18.201 -13.689
  388   HH12  ARG  52          HH22      ARG  52 -18.500 -19.457 -14.598
  389   HH21  ARG  52          HH11      ARG  52 -21.184 -19.924 -16.743
  390   HH22  ARG  52          HH12      ARG  52 -19.581 -20.430 -16.325
  391    HA   PRO  53           HA       PRO  53 -24.400 -10.658 -16.156
  392    HB2  PRO  53           HB2      PRO  53 -22.117  -9.241 -15.639
  393    HB3  PRO  53           HB1      PRO  53 -23.489  -9.305 -14.517
  394    HG2  PRO  53           HG2      PRO  53 -20.913 -10.787 -14.444
  395    HG3  PRO  53           HG1      PRO  53 -21.855 -10.088 -13.116
  396    HD2  PRO  53           HD2      PRO  53 -21.870 -12.765 -13.722
  397    HD3  PRO  53           HD1      PRO  53 -23.235 -11.932 -12.944
  398    H    ASN  54           HN       ASN  54 -23.302  -9.527 -17.973
  399    HA   ASN  54           HA       ASN  54 -21.992  -9.426 -19.861
  400    HB2  ASN  54           HB2      ASN  54 -20.552 -11.850 -18.756
  401    HB3  ASN  54           HB1      ASN  54 -20.083 -10.932 -20.175
  402   HD21  ASN  54          HD21      ASN  54 -21.364  -9.340 -17.264
  403   HD22  ASN  54          HD22      ASN  54 -19.905  -8.594 -16.836
  404    H    PHE  55           HN       PHE  55 -24.051 -11.846 -18.905
  405    HA   PHE  55           HA       PHE  55 -25.561 -13.020 -20.188
  406    HB2  PHE  55           HB2      PHE  55 -23.777 -12.623 -22.598
  407    HB3  PHE  55           HB1      PHE  55 -25.480 -13.072 -22.572
  408    HD1  PHE  55           HD2      PHE  55 -26.755 -11.270 -20.749
  409    HD2  PHE  55           HD1      PHE  55 -23.542 -10.461 -23.489
  410    HE1  PHE  55           HE2      PHE  55 -27.395  -8.877 -20.797
  411    HE2  PHE  55           HE1      PHE  55 -24.189  -8.067 -23.534
  412    HZ   PHE  55           HZ       PHE  55 -26.117  -7.277 -22.193
  413    H    ALA  56           HN       ALA  56 -23.846 -14.279 -18.567
  414    HA   ALA  56           HA       ALA  56 -23.212 -16.719 -20.085
  415    HB1  ALA  56           HB1      ALA  56 -21.336 -15.066 -18.451
  416    HB2  ALA  56           HB2      ALA  56 -21.036 -15.971 -19.935
  417    HB3  ALA  56           HB3      ALA  56 -21.169 -16.821 -18.395
  418    H    GLY  57           HN       GLY  57 -22.815 -18.578 -18.574
  419    HA2  GLY  57           HA2      GLY  57 -23.239 -19.759 -16.591
  420    HA3  GLY  57           HA1      GLY  57 -24.057 -18.340 -15.941
  421    H    TYR  58           HN       TYR  58 -25.735 -19.803 -15.263
  422    HA   TYR  58           HA       TYR  58 -27.259 -21.377 -17.057
  423    HB2  TYR  58           HB2      TYR  58 -27.905 -20.207 -14.341
  424    HB3  TYR  58           HB1      TYR  58 -28.969 -21.317 -15.200
  425    HD1  TYR  58           HD1      TYR  58 -25.381 -21.015 -14.107
  426    HD2  TYR  58           HD2      TYR  58 -28.722 -23.608 -14.851
  427    HE1  TYR  58           HE1      TYR  58 -24.076 -22.934 -13.255
  428    HE2  TYR  58           HE2      TYR  58 -27.414 -25.529 -13.991
  429    HH   TYR  58           HH       TYR  58 -24.569 -25.894 -13.854
  430    H    MET  59           HN       MET  59 -29.029 -20.923 -18.263
  431    HA   MET  59           HA       MET  59 -29.802 -18.083 -18.481
  432    HB2  MET  59           HB2      MET  59 -30.144 -20.411 -20.391
  433    HB3  MET  59           HB1      MET  59 -30.747 -18.782 -20.687
  434    HG2  MET  59           HG2      MET  59 -28.444 -17.907 -20.525
  435    HG3  MET  59           HG1      MET  59 -27.847 -19.542 -20.242
  436    HE1  MET  59           HE1      MET  59 -26.291 -19.076 -21.742
  437    HE2  MET  59           HE2      MET  59 -26.532 -18.186 -23.243
  438    HE3  MET  59           HE3      MET  59 -26.396 -19.942 -23.281
  439    H    TYR  60           HN       TYR  60 -31.534 -17.660 -17.217
  440    HA   TYR  60           HA       TYR  60 -33.749 -19.641 -17.153
  441    HB2  TYR  60           HB2      TYR  60 -32.468 -18.940 -14.979
  442    HB3  TYR  60           HB1      TYR  60 -33.398 -17.452 -15.127
  443    HD1  TYR  60           HD2      TYR  60 -35.851 -17.465 -14.956
  444    HD2  TYR  60           HD1      TYR  60 -33.542 -21.055 -14.486
  445    HE1  TYR  60           HE2      TYR  60 -37.822 -18.604 -13.975
  446    HE2  TYR  60           HE1      TYR  60 -35.511 -22.194 -13.504
  447    HH   TYR  60           HH       TYR  60 -37.621 -21.991 -12.869
  448    H    ILE  61           HN       ILE  61 -35.697 -18.976 -17.917
  449    HA   ILE  61           HA       ILE  61 -35.907 -16.175 -18.814
  450    HB   ILE  61           HB       ILE  61 -37.409 -18.673 -19.638
  451   HG12  ILE  61          HG12      ILE  61 -36.388 -17.815 -21.895
  452   HG13  ILE  61          HG11      ILE  61 -35.288 -16.912 -20.854
  453   HG21  ILE  61          HG21      ILE  61 -38.707 -16.380 -19.528
  454   HG22  ILE  61          HG22      ILE  61 -38.830 -17.384 -20.971
  455   HG23  ILE  61          HG23      ILE  61 -37.749 -15.991 -20.955
  456   HD11  ILE  61          HD11      ILE  61 -35.746 -19.894 -20.587
  457   HD12  ILE  61          HD12      ILE  61 -34.486 -18.929 -19.819
  458   HD13  ILE  61          HD13      ILE  61 -34.452 -19.197 -21.560
  459    H    LEU  62           HN       LEU  62 -36.562 -15.132 -16.949
  460    HA   LEU  62           HA       LEU  62 -38.688 -16.157 -15.305
  461    HB2  LEU  62           HB2      LEU  62 -36.778 -13.966 -15.218
  462    HB3  LEU  62           HB1      LEU  62 -38.392 -13.437 -14.738
  463    HG   LEU  62           HG       LEU  62 -37.174 -15.974 -13.630
  464   HD11  LEU  62          HD11      LEU  62 -36.942 -13.155 -12.535
  465   HD12  LEU  62          HD12      LEU  62 -35.614 -14.150 -13.131
  466   HD13  LEU  62          HD13      LEU  62 -36.481 -14.620 -11.668
  467   HD21  LEU  62          HD21      LEU  62 -39.452 -14.124 -12.916
  468   HD22  LEU  62          HD22      LEU  62 -38.749 -15.201 -11.709
  469   HD23  LEU  62          HD23      LEU  62 -39.486 -15.870 -13.164
  470    HA   PRO  63           HA       PRO  63 -41.692 -14.324 -18.143
  471    HB2  PRO  63           HB2      PRO  63 -43.799 -15.841 -17.395
  472    HB3  PRO  63           HB1      PRO  63 -42.485 -16.486 -18.397
  473    HG2  PRO  63           HG2      PRO  63 -43.023 -16.878 -15.505
  474    HG3  PRO  63           HG1      PRO  63 -42.362 -18.007 -16.698
  475    HD2  PRO  63           HD2      PRO  63 -40.850 -16.544 -14.849
  476    HD3  PRO  63           HD1      PRO  63 -40.218 -17.334 -16.303
  477    H    GLN  64           HN       GLN  64 -43.801 -13.207 -17.862
  478    HA   GLN  64           HA       GLN  64 -43.797 -11.350 -15.770
  479    HB2  GLN  64           HB2      GLN  64 -45.111 -11.451 -18.081
  480    HB3  GLN  64           HB1      GLN  64 -46.388 -12.101 -17.052
  481    HG2  GLN  64           HG2      GLN  64 -44.938  -9.472 -16.640
  482    HG3  GLN  64           HG1      GLN  64 -46.598  -9.666 -17.206
  483   HE21  GLN  64          HE21      GLN  64 -44.748  -9.157 -14.430
  484   HE22  GLN  64          HE22      GLN  64 -45.904  -9.614 -13.275
  485    H    GLY  65           HN       GLY  65 -44.013 -11.808 -13.686
  486    HA2  GLY  65           HA2      GLY  65 -46.332 -12.765 -12.484
  487    HA3  GLY  65           HA1      GLY  65 -45.244 -14.144 -12.635
  488    H    GLU  66           HN       GLU  66 -45.818 -13.556 -10.115
  489    HA   GLU  66           HA       GLU  66 -43.742 -11.747  -9.094
  490    HB2  GLU  66           HB2      GLU  66 -46.128 -13.050  -7.771
  491    HB3  GLU  66           HB1      GLU  66 -44.933 -12.073  -6.914
  492    HG2  GLU  66           HG2      GLU  66 -45.435 -10.151  -8.343
  493    HG3  GLU  66           HG1      GLU  66 -46.571 -11.119  -9.279
  494    H    TYR  67           HN       TYR  67 -42.441 -12.421  -7.318
  495    HA   TYR  67           HA       TYR  67 -42.125 -15.265  -6.807
  496    HB2  TYR  67           HB2      TYR  67 -39.804 -13.649  -7.906
  497    HB3  TYR  67           HB1      TYR  67 -39.765 -15.324  -7.390
  498    HD1  TYR  67           HD1      TYR  67 -41.568 -13.086  -9.836
  499    HD2  TYR  67           HD2      TYR  67 -40.161 -17.040  -8.928
  500    HE1  TYR  67           HE1      TYR  67 -42.301 -13.864 -12.064
  501    HE2  TYR  67           HE2      TYR  67 -40.904 -17.812 -11.156
  502    HH   TYR  67           HH       TYR  67 -42.903 -15.880 -13.189
  503    HA   PRO  68           HA       PRO  68 -41.829 -12.431  -3.148
  504    HB2  PRO  68           HB2      PRO  68 -42.419 -15.056  -1.887
  505    HB3  PRO  68           HB1      PRO  68 -43.129 -13.459  -1.587
  506    HG2  PRO  68           HG2      PRO  68 -44.413 -15.378  -2.966
  507    HG3  PRO  68           HG1      PRO  68 -44.628 -13.651  -3.293
  508    HD2  PRO  68           HD2      PRO  68 -43.193 -15.694  -4.898
  509    HD3  PRO  68           HD1      PRO  68 -43.927 -14.160  -5.414
  510    H    GLU  69           HN       GLU  69 -40.211 -15.401  -4.008
  511    HA   GLU  69           HA       GLU  69 -37.879 -14.541  -2.474
  512    HB2  GLU  69           HB2      GLU  69 -39.128 -17.295  -2.233
  513    HB3  GLU  69           HB1      GLU  69 -37.560 -16.828  -1.572
  514    HG2  GLU  69           HG2      GLU  69 -38.665 -15.092  -0.194
  515    HG3  GLU  69           HG1      GLU  69 -40.228 -15.578  -0.844
  516    H    TYR  70           HN       TYR  70 -35.949 -15.794  -3.137
  517    HA   TYR  70           HA       TYR  70 -35.727 -15.921  -5.941
  518    HB2  TYR  70           HB2      TYR  70 -33.505 -16.949  -5.503
  519    HB3  TYR  70           HB1      TYR  70 -33.776 -15.482  -4.568
  520    HD1  TYR  70           HD2      TYR  70 -34.545 -15.699  -2.150
  521    HD2  TYR  70           HD1      TYR  70 -33.070 -19.024  -4.439
  522    HE1  TYR  70           HE2      TYR  70 -34.148 -16.963  -0.058
  523    HE2  TYR  70           HE1      TYR  70 -32.667 -20.285  -2.342
  524    HH   TYR  70           HH       TYR  70 -32.943 -18.775   0.790
  525    H    GLN  71           HN       GLN  71 -36.039 -18.487  -3.508
  526    HA   GLN  71           HA       GLN  71 -35.708 -20.765  -4.993
  527    HB2  GLN  71           HB2      GLN  71 -38.001 -20.502  -3.054
  528    HB3  GLN  71           HB1      GLN  71 -37.003 -21.919  -3.390
  529    HG2  GLN  71           HG2      GLN  71 -35.023 -20.561  -2.531
  530    HG3  GLN  71           HG1      GLN  71 -36.201 -19.390  -1.937
  531   HE21  GLN  71          HE21      GLN  71 -38.233 -21.377  -1.184
  532   HE22  GLN  71          HE22      GLN  71 -37.622 -22.206   0.172
  533    H    ARG  72           HN       ARG  72 -38.077 -18.396  -5.551
  534    HA   ARG  72           HA       ARG  72 -40.107 -20.085  -6.670
  535    HB2  ARG  72           HB2      ARG  72 -39.614 -17.124  -7.003
  536    HB3  ARG  72           HB1      ARG  72 -41.085 -17.976  -7.466
  537    HG2  ARG  72           HG2      ARG  72 -39.972 -17.881  -4.648
  538    HG3  ARG  72           HG1      ARG  72 -41.276 -16.854  -5.244
  539    HD2  ARG  72           HD2      ARG  72 -41.925 -19.532  -5.949
  540    HD3  ARG  72           HD1      ARG  72 -41.431 -19.544  -4.259
  541    HE   ARG  72           HE       ARG  72 -43.167 -17.390  -4.559
  542   HH11  ARG  72          HH21      ARG  72 -43.191 -20.834  -4.933
  543   HH12  ARG  72          HH22      ARG  72 -44.877 -20.996  -4.571
  544   HH21  ARG  72          HH11      ARG  72 -45.374 -17.598  -4.098
  545   HH22  ARG  72          HH12      ARG  72 -46.113 -19.164  -4.099
  546    H    TRP  73           HN       TRP  73 -37.049 -19.366  -7.764
  547    HA   TRP  73           HA       TRP  73 -37.885 -19.655 -10.597
  548    HB2  TRP  73           HB2      TRP  73 -35.807 -18.499 -11.234
  549    HB3  TRP  73           HB1      TRP  73 -36.813 -17.483 -10.202
  550    HD1  TRP  73           HD1      TRP  73 -35.135 -20.149  -8.238
  551    HE1  TRP  73           HE1      TRP  73 -33.239 -19.194  -6.866
  552    HE3  TRP  73           HE3      TRP  73 -34.707 -15.598 -10.479
  553    HZ2  TRP  73           HZ2      TRP  73 -31.687 -16.813  -6.740
  554    HZ3  TRP  73           HZ3      TRP  73 -32.975 -14.005  -9.709
  555    HH2  TRP  73           HH2      TRP  73 -31.461 -14.608  -7.842
  556    H    MET  74           HN       MET  74 -37.348 -21.681  -8.495
  557    HA   MET  74           HA       MET  74 -36.575 -23.867  -8.615
  558    HB2  MET  74           HB2      MET  74 -34.802 -22.903 -10.878
  559    HB3  MET  74           HB1      MET  74 -34.959 -24.569 -10.335
  560    HG2  MET  74           HG2      MET  74 -37.301 -22.900 -11.276
  561    HG3  MET  74           HG1      MET  74 -36.404 -24.005 -12.321
  562    HE1  MET  74           HE1      MET  74 -39.978 -25.490 -11.277
  563    HE2  MET  74           HE2      MET  74 -38.974 -25.169 -12.688
  564    HE3  MET  74           HE3      MET  74 -39.425 -23.844 -11.617
  565    H    GLY  75           HN       GLY  75 -35.472 -21.487  -7.141
  566    HA2  GLY  75           HA2      GLY  75 -33.559 -20.835  -5.962
  567    HA3  GLY  75           HA1      GLY  75 -33.773 -22.477  -5.365
  568    H    LEU  76           HN       LEU  76 -32.595 -21.171  -8.493
  569    HA   LEU  76           HA       LEU  76 -30.467 -23.112  -8.600
  570    HB2  LEU  76           HB2      LEU  76 -30.857 -20.693 -10.352
  571    HB3  LEU  76           HB1      LEU  76 -29.991 -22.183 -10.742
  572    HG   LEU  76           HG       LEU  76 -32.943 -22.155 -10.074
  573   HD11  LEU  76          HD11      LEU  76 -32.500 -20.747 -12.080
  574   HD12  LEU  76          HD12      LEU  76 -33.393 -22.217 -12.472
  575   HD13  LEU  76          HD13      LEU  76 -31.669 -22.114 -12.825
  576   HD21  LEU  76          HD21      LEU  76 -31.012 -24.147 -11.284
  577   HD22  LEU  76          HD22      LEU  76 -32.757 -24.318 -11.465
  578   HD23  LEU  76          HD23      LEU  76 -32.032 -24.347  -9.859
  579    H    ASN  77           HN       ASN  77 -30.621 -20.880  -6.534
  580    HA   ASN  77           HA       ASN  77 -28.734 -20.157  -5.281
  581    HB2  ASN  77           HB2      ASN  77 -27.182 -21.025  -7.098
  582    HB3  ASN  77           HB1      ASN  77 -27.395 -19.466  -7.896
  583   HD21  ASN  77          HD21      ASN  77 -25.257 -18.708  -7.578
  584   HD22  ASN  77          HD22      ASN  77 -24.610 -18.377  -6.038
  585    H    ASP  78           HN       ASP  78 -28.024 -17.958  -4.812
  586    HA   ASP  78           HA       ASP  78 -30.005 -16.006  -5.728
  587    HB2  ASP  78           HB2      ASP  78 -29.216 -14.643  -3.854
  588    HB3  ASP  78           HB1      ASP  78 -29.650 -16.258  -3.312
  589    H    ARG  79           HN       ARG  79 -28.528 -16.389  -7.815
  590    HA   ARG  79           HA       ARG  79 -26.726 -14.055  -7.907
  591    HB2  ARG  79           HB2      ARG  79 -25.510 -16.317  -7.838
  592    HB3  ARG  79           HB1      ARG  79 -26.163 -16.585  -9.452
  593    HG2  ARG  79           HG2      ARG  79 -24.617 -15.231 -10.372
  594    HG3  ARG  79           HG1      ARG  79 -25.028 -13.925  -9.261
  595    HD2  ARG  79           HD2      ARG  79 -23.662 -15.277  -7.515
  596    HD3  ARG  79           HD1      ARG  79 -23.006 -16.131  -8.910
  597    HE   ARG  79           HE       ARG  79 -22.741 -13.426  -9.477
  598   HH11  ARG  79          HH21      ARG  79 -21.697 -15.672  -7.054
  599   HH12  ARG  79          HH22      ARG  79 -20.229 -14.821  -6.705
  600   HH21  ARG  79          HH11      ARG  79 -20.823 -12.306  -9.016
  601   HH22  ARG  79          HH12      ARG  79 -19.735 -12.918  -7.815
  602    H    LEU  80           HN       LEU  80 -27.816 -12.647  -9.150
  603    HA   LEU  80           HA       LEU  80 -28.675 -13.584 -11.800
  604    HB2  LEU  80           HB2      LEU  80 -30.559 -13.387  -9.917
  605    HB3  LEU  80           HB1      LEU  80 -30.464 -11.680 -10.345
  606    HG   LEU  80           HG       LEU  80 -32.177 -12.699 -11.709
  607   HD11  LEU  80          HD11      LEU  80 -31.492 -11.848 -13.740
  608   HD12  LEU  80          HD12      LEU  80 -29.895 -12.593 -13.637
  609   HD13  LEU  80          HD13      LEU  80 -30.269 -11.157 -12.684
  610   HD21  LEU  80          HD21      LEU  80 -30.247 -14.892 -11.776
  611   HD22  LEU  80          HD22      LEU  80 -30.876 -14.518 -13.380
  612   HD23  LEU  80          HD23      LEU  80 -31.984 -14.922 -12.068
  613    H    SER  81           HN       SER  81 -27.921 -12.291 -13.335
  614    HA   SER  81           HA       SER  81 -26.911  -9.630 -12.610
  615    HB2  SER  81           HB2      SER  81 -25.387  -9.861 -14.315
  616    HB3  SER  81           HB1      SER  81 -25.583 -11.546 -13.855
  617    HG   SER  81           HG       SER  81 -26.384 -11.902 -15.763
  618    H    SER  82           HN       SER  82 -26.964  -8.505 -15.240
  619    HA   SER  82           HA       SER  82 -29.416  -7.280 -15.328
  620    HB2  SER  82           HB2      SER  82 -28.816  -6.841 -17.763
  621    HB3  SER  82           HB1      SER  82 -27.617  -6.357 -16.566
  622    HG   SER  82           HG       SER  82 -27.313  -8.013 -18.592
  623    H    CYS  83           HN       CYS  83 -30.517  -7.484 -17.829
  624    HA   CYS  83           HA       CYS  83 -31.204 -10.250 -18.340
  625    HB2  CYS  83           HB2      CYS  83 -33.611  -9.906 -17.907
  626    HB3  CYS  83           HB1      CYS  83 -32.662  -9.666 -16.435
  627    HG   CYS  83           HG       CYS  83 -33.259  -7.256 -16.411
  628    H    ARG  84           HN       ARG  84 -32.642 -10.429 -20.256
  629    HA   ARG  84           HA       ARG  84 -32.522  -8.028 -21.979
  630    HB2  ARG  84           HB2      ARG  84 -32.164 -10.932 -22.775
  631    HB3  ARG  84           HB1      ARG  84 -32.201  -9.563 -23.888
  632    HG2  ARG  84           HG2      ARG  84 -30.232  -8.588 -22.779
  633    HG3  ARG  84           HG1      ARG  84 -30.199  -9.933 -21.639
  634    HD2  ARG  84           HD2      ARG  84 -28.585 -10.409 -23.364
  635    HD3  ARG  84           HD1      ARG  84 -29.955 -11.490 -23.603
  636    HE   ARG  84           HE       ARG  84 -30.331  -9.128 -25.128
  637   HH11  ARG  84          HH21      ARG  84 -28.408 -12.004 -24.958
  638   HH12  ARG  84          HH22      ARG  84 -28.115 -12.072 -26.664
  639   HH21  ARG  84          HH11      ARG  84 -29.944  -9.211 -27.361
  640   HH22  ARG  84          HH12      ARG  84 -28.984 -10.491 -28.023
  641    H    ALA  85           HN       ALA  85 -34.414  -7.434 -22.866
  642    HA   ALA  85           HA       ALA  85 -36.859  -8.569 -22.036
  643    HB1  ALA  85           HB1      ALA  85 -36.993  -6.312 -22.658
  644    HB2  ALA  85           HB2      ALA  85 -37.760  -7.135 -24.017
  645    HB3  ALA  85           HB3      ALA  85 -36.094  -6.573 -24.153
  646    H    VAL  86           HN       VAL  86 -37.886 -10.345 -22.716
  647    HA   VAL  86           HA       VAL  86 -37.287 -11.322 -25.455
  648    HB   VAL  86           HB       VAL  86 -37.693 -12.863 -22.888
  649   HG11  VAL  86          HG11      VAL  86 -39.019 -14.018 -24.537
  650   HG12  VAL  86          HG12      VAL  86 -37.499 -14.898 -24.383
  651   HG13  VAL  86          HG13      VAL  86 -37.762 -13.829 -25.760
  652   HG21  VAL  86          HG21      VAL  86 -35.523 -13.927 -23.890
  653   HG22  VAL  86          HG22      VAL  86 -35.416 -12.344 -23.121
  654   HG23  VAL  86          HG23      VAL  86 -35.466 -12.467 -24.879
  655    H    HIS  87           HN       HIS  87 -38.965 -11.576 -26.768
  656    HA   HIS  87           HA       HIS  87 -41.679 -11.273 -25.663
  657    HB2  HIS  87           HB2      HIS  87 -40.695 -11.055 -28.520
  658    HB3  HIS  87           HB1      HIS  87 -42.339 -10.734 -27.966
  659    HD2  HIS  87           HD2      HIS  87 -38.837  -9.003 -27.971
  660    HE1  HIS  87           HE1      HIS  87 -41.555  -6.381 -26.085
  661    HE2  HIS  87           HE2      HIS  87 -39.198  -6.605 -27.003
  662    H    LEU  88           HN       LEU  88 -43.388 -12.605 -26.500
  663    HA   LEU  88           HA       LEU  88 -42.590 -15.382 -26.705
  664    HB2  LEU  88           HB2      LEU  88 -45.434 -14.889 -27.112
  665    HB3  LEU  88           HB1      LEU  88 -44.629 -15.823 -25.851
  666    HG   LEU  88           HG       LEU  88 -44.904 -12.798 -25.862
  667   HD11  LEU  88          HD11      LEU  88 -46.383 -14.941 -24.310
  668   HD12  LEU  88          HD12      LEU  88 -47.069 -13.853 -25.518
  669   HD13  LEU  88          HD13      LEU  88 -46.487 -13.210 -23.983
  670   HD21  LEU  88          HD21      LEU  88 -43.466 -14.776 -24.156
  671   HD22  LEU  88          HD22      LEU  88 -44.323 -13.488 -23.309
  672   HD23  LEU  88          HD23      LEU  88 -43.078 -13.089 -24.490
  673    HA   PRO  89           HA       PRO  89 -42.870 -15.716 -31.093
  674    HB2  PRO  89           HB2      PRO  89 -43.492 -18.354 -31.352
  675    HB3  PRO  89           HB1      PRO  89 -41.893 -17.789 -30.834
  676    HG2  PRO  89           HG2      PRO  89 -44.147 -18.848 -29.202
  677    HG3  PRO  89           HG1      PRO  89 -42.404 -19.136 -29.048
  678    HD2  PRO  89           HD2      PRO  89 -43.772 -17.364 -27.457
  679    HD3  PRO  89           HD1      PRO  89 -42.048 -17.196 -27.852
  680    H    SER  90           HN       SER  90 -44.325 -15.994 -32.848
  681    HA   SER  90           HA       SER  90 -47.013 -16.837 -32.529
  682    HB2  SER  90           HB2      SER  90 -48.213 -14.816 -32.469
  683    HB3  SER  90           HB1      SER  90 -46.939 -14.592 -31.275
  684    HG   SER  90           HG       SER  90 -47.233 -13.493 -33.839
  685    H    GLY  91           HN       GLY  91 -44.442 -15.542 -34.364
  686    HA2  GLY  91           HA2      GLY  91 -45.807 -14.958 -36.773
  687    HA3  GLY  91           HA1      GLY  91 -44.086 -15.305 -36.621
  688    H    GLY  92           HN       GLY  92 -44.281 -17.894 -35.529
  689    HA2  GLY  92           HA2      GLY  92 -45.504 -19.406 -37.770
  690    HA3  GLY  92           HA1      GLY  92 -43.928 -19.809 -37.092
  691    H    GLN  93           HN       GLN  93 -47.129 -19.061 -35.715
  692    HA   GLN  93           HA       GLN  93 -48.131 -19.993 -33.814
  693    HB2  GLN  93           HB2      GLN  93 -48.658 -22.501 -34.378
  694    HB3  GLN  93           HB1      GLN  93 -49.336 -21.221 -35.385
  695    HG2  GLN  93           HG2      GLN  93 -47.633 -21.538 -37.064
  696    HG3  GLN  93           HG1      GLN  93 -46.733 -22.636 -36.028
  697   HE21  GLN  93          HE21      GLN  93 -48.035 -24.674 -35.355
  698   HE22  GLN  93          HE22      GLN  93 -49.040 -25.357 -36.548
  699    H    TYR  94           HN       TYR  94 -46.843 -23.126 -34.338
  700    HA   TYR  94           HA       TYR  94 -44.590 -22.885 -32.567
  701    HB2  TYR  94           HB2      TYR  94 -46.622 -22.815 -31.040
  702    HB3  TYR  94           HB1      TYR  94 -46.963 -24.463 -31.562
  703    HD1  TYR  94           HD1      TYR  94 -44.346 -22.309 -30.014
  704    HD2  TYR  94           HD2      TYR  94 -45.809 -26.299 -30.615
  705    HE1  TYR  94           HE1      TYR  94 -42.708 -23.158 -28.360
  706    HE2  TYR  94           HE2      TYR  94 -44.172 -27.149 -28.963
  707    HH   TYR  94           HH       TYR  94 -42.029 -24.932 -27.189
  708    H    LYS  95           HN       LYS  95 -43.206 -24.224 -33.584
  709    HA   LYS  95           HA       LYS  95 -43.974 -26.988 -34.058
  710    HB2  LYS  95           HB2      LYS  95 -44.709 -25.796 -36.120
  711    HB3  LYS  95           HB1      LYS  95 -43.048 -25.259 -36.364
  712    HG2  LYS  95           HG2      LYS  95 -43.458 -27.253 -37.709
  713    HG3  LYS  95           HG1      LYS  95 -42.324 -27.644 -36.419
  714    HD2  LYS  95           HD2      LYS  95 -43.930 -28.818 -35.177
  715    HD3  LYS  95           HD1      LYS  95 -45.281 -28.054 -36.022
  716    HE2  LYS  95           HE2      LYS  95 -43.305 -29.931 -37.345
  717    HE3  LYS  95           HE1      LYS  95 -44.871 -30.438 -36.711
  718    HZ1  LYS  95           HZ1      LYS  95 -45.405 -28.234 -38.247
  719    HZ2  LYS  95           HZ2      LYS  95 -45.703 -29.853 -38.666
  720    HZ3  LYS  95           HZ3      LYS  95 -44.259 -29.099 -39.149
  721    H    ILE  96           HN       ILE  96 -42.307 -28.307 -33.706
  722    HA   ILE  96           HA       ILE  96 -39.570 -27.230 -33.906
  723    HB   ILE  96           HB       ILE  96 -39.911 -27.133 -31.592
  724   HG12  ILE  96          HG12      ILE  96 -38.913 -29.970 -31.864
  725   HG13  ILE  96          HG11      ILE  96 -37.948 -28.606 -32.424
  726   HG21  ILE  96          HG21      ILE  96 -41.171 -28.688 -30.298
  727   HG22  ILE  96          HG22      ILE  96 -41.142 -29.896 -31.582
  728   HG23  ILE  96          HG23      ILE  96 -42.117 -28.438 -31.762
  729   HD11  ILE  96          HD11      ILE  96 -37.360 -29.245 -30.106
  730   HD12  ILE  96          HD12      ILE  96 -39.024 -28.945 -29.610
  731   HD13  ILE  96          HD13      ILE  96 -38.018 -27.612 -30.178
  732    H    GLN  97           HN       GLN  97 -38.023 -28.605 -34.548
  733    HA   GLN  97           HA       GLN  97 -38.835 -31.358 -35.259
  734    HB2  GLN  97           HB2      GLN  97 -37.498 -29.258 -36.860
  735    HB3  GLN  97           HB1      GLN  97 -36.801 -30.874 -36.979
  736    HG2  GLN  97           HG2      GLN  97 -39.097 -31.768 -37.445
  737    HG3  GLN  97           HG1      GLN  97 -39.691 -30.109 -37.477
  738   HE21  GLN  97          HE21      GLN  97 -36.473 -30.442 -38.694
  739   HE22  GLN  97          HE22      GLN  97 -36.866 -30.388 -40.349
  740    H    ILE  98           HN       ILE  98 -37.588 -32.931 -34.448
  741    HA   ILE  98           HA       ILE  98 -35.023 -32.157 -33.181
  742    HB   ILE  98           HB       ILE  98 -36.706 -34.469 -32.253
  743   HG12  ILE  98          HG12      ILE  98 -36.884 -31.643 -31.174
  744   HG13  ILE  98          HG11      ILE  98 -38.061 -32.309 -32.307
  745   HG21  ILE  98          HG21      ILE  98 -34.747 -32.612 -30.865
  746   HG22  ILE  98          HG22      ILE  98 -34.340 -34.206 -31.502
  747   HG23  ILE  98          HG23      ILE  98 -35.485 -34.054 -30.168
  748   HD11  ILE  98          HD11      ILE  98 -37.379 -33.756 -29.750
  749   HD12  ILE  98          HD12      ILE  98 -38.808 -33.932 -30.768
  750   HD13  ILE  98          HD13      ILE  98 -38.600 -32.485 -29.784
  751    H    PHE  99           HN       PHE  99 -33.275 -33.298 -33.691
  752    HA   PHE  99           HA       PHE  99 -33.631 -35.685 -35.413
  753    HB2  PHE  99           HB2      PHE  99 -31.565 -33.497 -35.454
  754    HB3  PHE  99           HB1      PHE  99 -31.260 -35.063 -36.202
  755    HD1  PHE  99           HD1      PHE  99 -33.510 -32.105 -36.221
  756    HD2  PHE  99           HD2      PHE  99 -32.307 -35.691 -38.259
  757    HE1  PHE  99           HE1      PHE  99 -34.818 -31.416 -38.211
  758    HE2  PHE  99           HE2      PHE  99 -33.614 -35.000 -40.247
  759    HZ   PHE  99           HZ       PHE  99 -34.869 -32.862 -40.224
  760    H    GLU 100           HN       GLU 100 -32.746 -37.544 -34.793
  761    HA   GLU 100           HA       GLU 100 -31.710 -37.894 -32.184
  762    HB2  GLU 100           HB2      GLU 100 -32.911 -39.655 -33.443
  763    HB3  GLU 100           HB1      GLU 100 -31.556 -39.755 -34.573
  764    HG2  GLU 100           HG2      GLU 100 -30.053 -40.397 -32.728
  765    HG3  GLU 100           HG1      GLU 100 -31.388 -40.263 -31.585
  766    H    LYS 101           HN       LYS 101 -30.228 -37.238 -35.263
  767    HA   LYS 101           HA       LYS 101 -27.547 -37.500 -34.035
  768    HB2  LYS 101           HB2      LYS 101 -28.265 -37.816 -36.960
  769    HB3  LYS 101           HB1      LYS 101 -26.689 -38.097 -36.218
  770    HG2  LYS 101           HG2      LYS 101 -27.558 -39.941 -34.926
  771    HG3  LYS 101           HG1      LYS 101 -29.200 -39.613 -35.467
  772    HD2  LYS 101           HD2      LYS 101 -28.450 -40.041 -37.821
  773    HD3  LYS 101           HD1      LYS 101 -26.876 -40.530 -37.187
  774    HE2  LYS 101           HE2      LYS 101 -28.556 -42.038 -35.638
  775    HE3  LYS 101           HE1      LYS 101 -29.456 -41.976 -37.153
  776    HZ1  LYS 101           HZ1      LYS 101 -27.880 -43.137 -38.250
  777    HZ2  LYS 101           HZ2      LYS 101 -27.560 -43.747 -36.696
  778    HZ3  LYS 101           HZ3      LYS 101 -26.597 -42.504 -37.339
  779    H    GLY 102           HN       GLY 102 -26.086 -35.853 -34.386
  780    HA2  GLY 102           HA2      GLY 102 -27.068 -33.246 -34.771
  781    HA3  GLY 102           HA1      GLY 102 -25.370 -33.701 -34.781
  782    H    ASP 103           HN       ASP 103 -25.957 -31.744 -36.444
  783    HA   ASP 103           HA       ASP 103 -25.880 -31.048 -38.625
  784    HB2  ASP 103           HB2      ASP 103 -23.915 -32.634 -38.568
  785    HB3  ASP 103           HB1      ASP 103 -24.979 -33.859 -39.227
  786    H    PHE 104           HN       PHE 104 -28.346 -32.138 -37.611
  787    HA   PHE 104           HA       PHE 104 -30.424 -32.800 -38.315
  788    HB2  PHE 104           HB2      PHE 104 -29.554 -32.075 -41.105
  789    HB3  PHE 104           HB1      PHE 104 -31.141 -31.901 -40.358
  790    HD1  PHE 104           HD2      PHE 104 -31.076 -30.458 -38.081
  791    HD2  PHE 104           HD1      PHE 104 -28.282 -30.129 -41.323
  792    HE1  PHE 104           HE2      PHE 104 -30.465 -28.185 -37.322
  793    HE2  PHE 104           HE1      PHE 104 -27.671 -27.850 -40.562
  794    HZ   PHE 104           HZ       PHE 104 -28.762 -26.880 -38.561
  795    H    SER 105           HN       SER 105 -29.808 -35.040 -37.861
  796    HA   SER 105           HA       SER 105 -30.217 -36.700 -40.203
  797    HB2  SER 105           HB2      SER 105 -27.611 -36.656 -38.701
  798    HB3  SER 105           HB1      SER 105 -28.170 -38.138 -39.469
  799    HG   SER 105           HG       SER 105 -28.536 -36.490 -41.322
  800    H    GLY 106           HN       GLY 106 -30.513 -38.988 -39.613
  801    HA2  GLY 106           HA2      GLY 106 -31.116 -40.713 -38.148
  802    HA3  GLY 106           HA1      GLY 106 -30.973 -39.588 -36.803
  803    H    GLN 107           HN       GLN 107 -32.963 -40.362 -35.981
  804    HA   GLN 107           HA       GLN 107 -35.400 -40.206 -37.471
  805    HB2  GLN 107           HB2      GLN 107 -35.223 -41.768 -35.634
  806    HB3  GLN 107           HB1      GLN 107 -34.865 -40.464 -34.503
  807    HG2  GLN 107           HG2      GLN 107 -37.213 -41.112 -34.306
  808    HG3  GLN 107           HG1      GLN 107 -37.099 -39.480 -34.966
  809   HE21  GLN 107          HE21      GLN 107 -38.999 -39.479 -36.224
  810   HE22  GLN 107          HE22      GLN 107 -39.265 -40.538 -37.526
  811    H    MET 108           HN       MET 108 -36.792 -38.575 -37.712
  812    HA   MET 108           HA       MET 108 -36.271 -36.078 -36.232
  813    HB2  MET 108           HB2      MET 108 -35.777 -35.909 -38.649
  814    HB3  MET 108           HB1      MET 108 -37.442 -36.372 -39.002
  815    HG2  MET 108           HG2      MET 108 -38.219 -34.398 -37.661
  816    HG3  MET 108           HG1      MET 108 -36.533 -33.911 -37.478
  817    HE1  MET 108           HE1      MET 108 -39.627 -33.981 -39.317
  818    HE2  MET 108           HE2      MET 108 -38.980 -35.158 -40.457
  819    HE3  MET 108           HE3      MET 108 -39.326 -33.517 -40.996
  820    H    TYR 109           HN       TYR 109 -37.882 -35.319 -34.970
  821    HA   TYR 109           HA       TYR 109 -40.589 -36.410 -35.408
  822    HB2  TYR 109           HB2      TYR 109 -39.112 -35.752 -32.864
  823    HB3  TYR 109           HB1      TYR 109 -40.861 -35.954 -32.931
  824    HD1  TYR 109           HD2      TYR 109 -41.529 -38.144 -34.490
  825    HD2  TYR 109           HD1      TYR 109 -37.956 -37.647 -32.153
  826    HE1  TYR 109           HE2      TYR 109 -41.261 -40.606 -34.374
  827    HE2  TYR 109           HE1      TYR 109 -37.693 -40.109 -32.036
  828    HH   TYR 109           HH       TYR 109 -40.174 -42.269 -32.952
  829    H    GLU 110           HN       GLU 110 -42.212 -35.021 -35.567
  830    HA   GLU 110           HA       GLU 110 -41.671 -32.152 -35.095
  831    HB2  GLU 110           HB2      GLU 110 -43.468 -31.848 -36.931
  832    HB3  GLU 110           HB1      GLU 110 -41.838 -32.291 -37.426
  833    HG2  GLU 110           HG2      GLU 110 -42.504 -34.651 -37.574
  834    HG3  GLU 110           HG1      GLU 110 -44.123 -34.243 -37.013
  835    H    THR 111           HN       THR 111 -42.912 -31.260 -33.587
  836    HA   THR 111           HA       THR 111 -45.695 -32.103 -33.288
  837    HB   THR 111           HB       THR 111 -44.280 -33.547 -31.775
  838    HG1  THR 111           HG1      THR 111 -46.007 -33.544 -30.612
  839   HG21  THR 111          HG21      THR 111 -42.676 -31.613 -31.261
  840   HG22  THR 111          HG22      THR 111 -43.181 -32.599 -29.890
  841   HG23  THR 111          HG23      THR 111 -43.917 -31.020 -30.157
  842    H    THR 112           HN       THR 112 -46.938 -30.366 -33.070
  843    HA   THR 112           HA       THR 112 -45.708 -27.783 -32.434
  844    HB   THR 112           HB       THR 112 -47.010 -27.629 -34.364
  845    HG1  THR 112           HG1      THR 112 -49.183 -26.862 -33.015
  846   HG21  THR 112          HG21      THR 112 -48.984 -29.370 -32.906
  847   HG22  THR 112          HG22      THR 112 -48.147 -29.690 -34.426
  848   HG23  THR 112          HG23      THR 112 -49.424 -28.476 -34.363
  849    H    GLU 113           HN       GLU 113 -45.933 -29.585 -30.298
  850    HA   GLU 113           HA       GLU 113 -47.657 -28.020 -28.508
  851    HB2  GLU 113           HB2      GLU 113 -48.293 -30.226 -27.367
  852    HB3  GLU 113           HB1      GLU 113 -49.094 -29.857 -28.896
  853    HG2  GLU 113           HG2      GLU 113 -47.499 -31.272 -30.101
  854    HG3  GLU 113           HG1      GLU 113 -46.640 -31.609 -28.600
  855    H    ASP 114           HN       ASP 114 -47.229 -29.129 -26.137
  856    HA   ASP 114           HA       ASP 114 -44.356 -28.770 -25.752
  857    HB2  ASP 114           HB2      ASP 114 -44.922 -28.786 -23.342
  858    HB3  ASP 114           HB1      ASP 114 -45.807 -27.555 -24.236
  859    H    CYS 115           HN       CYS 115 -43.180 -30.251 -24.368
  860    HA   CYS 115           HA       CYS 115 -44.261 -32.977 -24.273
  861    HB2  CYS 115           HB2      CYS 115 -42.820 -32.533 -26.364
  862    HB3  CYS 115           HB1      CYS 115 -41.459 -32.492 -25.245
  863    HG   CYS 115           HG       CYS 115 -41.537 -34.969 -25.453
  864    HA   PRO 116           HA       PRO 116 -42.276 -32.442 -20.273
  865    HB2  PRO 116           HB2      PRO 116 -43.174 -34.781 -19.180
  866    HB3  PRO 116           HB1      PRO 116 -44.195 -33.338 -19.344
  867    HG2  PRO 116           HG2      PRO 116 -44.109 -35.796 -21.007
  868    HG3  PRO 116           HG1      PRO 116 -45.496 -34.806 -20.533
  869    HD2  PRO 116           HD2      PRO 116 -44.286 -34.706 -23.019
  870    HD3  PRO 116           HD1      PRO 116 -45.231 -33.375 -22.316
  871    H    SER 117           HN       SER 117 -42.338 -35.755 -21.581
  872    HA   SER 117           HA       SER 117 -39.441 -36.014 -20.994
  873    HB2  SER 117           HB2      SER 117 -41.685 -38.024 -20.951
  874    HB3  SER 117           HB1      SER 117 -40.003 -38.529 -21.090
  875    HG   SER 117           HG       SER 117 -40.683 -38.426 -18.914
  876    H    ILE 118           HN       ILE 118 -38.328 -35.698 -22.823
  877    HA   ILE 118           HA       ILE 118 -39.390 -36.112 -25.435
  878    HB   ILE 118           HB       ILE 118 -37.326 -34.660 -24.464
  879   HG12  ILE 118          HG12      ILE 118 -37.476 -35.744 -27.299
  880   HG13  ILE 118          HG11      ILE 118 -38.484 -34.442 -26.669
  881   HG21  ILE 118          HG21      ILE 118 -36.051 -37.065 -25.805
  882   HG22  ILE 118          HG22      ILE 118 -35.944 -36.693 -24.084
  883   HG23  ILE 118          HG23      ILE 118 -35.215 -35.609 -25.268
  884   HD11  ILE 118          HD11      ILE 118 -35.502 -34.230 -26.399
  885   HD12  ILE 118          HD12      ILE 118 -36.714 -32.950 -26.521
  886   HD13  ILE 118          HD13      ILE 118 -36.257 -33.871 -27.952
  887    H    MET 119           HN       MET 119 -37.247 -37.933 -23.341
  888    HA   MET 119           HA       MET 119 -36.625 -39.970 -25.223
  889    HB2  MET 119           HB2      MET 119 -35.241 -39.526 -23.234
  890    HB3  MET 119           HB1      MET 119 -36.554 -40.094 -22.206
  891    HG2  MET 119           HG2      MET 119 -36.433 -42.316 -23.168
  892    HG3  MET 119           HG1      MET 119 -35.272 -41.775 -24.379
  893    HE1  MET 119           HE1      MET 119 -34.732 -44.256 -22.862
  894    HE2  MET 119           HE2      MET 119 -33.093 -44.091 -22.236
  895    HE3  MET 119           HE3      MET 119 -33.464 -43.544 -23.869
  896    H    GLU 120           HN       GLU 120 -39.234 -39.502 -22.960
  897    HA   GLU 120           HA       GLU 120 -40.222 -42.162 -22.950
  898    HB2  GLU 120           HB2      GLU 120 -40.834 -40.536 -21.250
  899    HB3  GLU 120           HB1      GLU 120 -41.636 -39.537 -22.461
  900    HG2  GLU 120           HG2      GLU 120 -43.386 -40.779 -21.436
  901    HG3  GLU 120           HG1      GLU 120 -43.094 -41.580 -22.974
  902    H    GLN 121           HN       GLN 121 -41.188 -39.305 -24.874
  903    HA   GLN 121           HA       GLN 121 -42.917 -41.054 -26.477
  904    HB2  GLN 121           HB2      GLN 121 -44.071 -39.105 -27.168
  905    HB3  GLN 121           HB1      GLN 121 -43.765 -38.908 -25.446
  906    HG2  GLN 121           HG2      GLN 121 -42.682 -36.991 -25.851
  907    HG3  GLN 121           HG1      GLN 121 -41.518 -37.849 -26.858
  908   HE21  GLN 121          HE21      GLN 121 -43.576 -35.291 -27.003
  909   HE22  GLN 121          HE22      GLN 121 -43.973 -35.332 -28.655
  910    H    PHE 122           HN       PHE 122 -40.012 -39.087 -26.797
  911    HA   PHE 122           HA       PHE 122 -40.013 -39.636 -29.695
  912    HB2  PHE 122           HB2      PHE 122 -38.513 -37.607 -28.035
  913    HB3  PHE 122           HB1      PHE 122 -38.084 -37.969 -29.703
  914    HD1  PHE 122           HD2      PHE 122 -40.654 -38.380 -31.015
  915    HD2  PHE 122           HD1      PHE 122 -39.546 -35.500 -28.028
  916    HE1  PHE 122           HE2      PHE 122 -42.439 -36.862 -31.811
  917    HE2  PHE 122           HE1      PHE 122 -41.327 -33.980 -28.831
  918    HZ   PHE 122           HZ       PHE 122 -42.774 -34.662 -30.723
  919    H    HIS 123           HN       HIS 123 -38.904 -40.989 -26.922
  920    HA   HIS 123           HA       HIS 123 -37.263 -42.500 -26.409
  921    HB2  HIS 123           HB2      HIS 123 -37.385 -42.852 -29.408
  922    HB3  HIS 123           HB1      HIS 123 -36.485 -43.918 -28.329
  923    HD2  HIS 123           HD2      HIS 123 -38.940 -45.447 -29.690
  924    HE1  HIS 123           HE1      HIS 123 -41.147 -44.605 -26.188
  925    HE2  HIS 123           HE2      HIS 123 -41.050 -46.057 -28.275
  926    H    MET 124           HN       MET 124 -36.534 -39.638 -27.671
  927    HA   MET 124           HA       MET 124 -33.803 -40.040 -28.468
  928    HB2  MET 124           HB2      MET 124 -35.478 -37.606 -27.878
  929    HB3  MET 124           HB1      MET 124 -33.751 -37.488 -28.214
  930    HG2  MET 124           HG2      MET 124 -34.134 -38.733 -30.352
  931    HG3  MET 124           HG1      MET 124 -35.867 -38.679 -30.027
  932    HE1  MET 124           HE1      MET 124 -35.777 -37.523 -32.596
  933    HE2  MET 124           HE2      MET 124 -34.025 -37.620 -32.450
  934    HE3  MET 124           HE3      MET 124 -34.779 -36.100 -32.914
  935    H    ARG 125           HN       ARG 125 -32.040 -40.008 -27.254
  936    HA   ARG 125           HA       ARG 125 -32.383 -39.644 -24.357
  937    HB2  ARG 125           HB2      ARG 125 -29.954 -40.724 -24.516
  938    HB3  ARG 125           HB1      ARG 125 -31.405 -41.722 -24.579
  939    HG2  ARG 125           HG2      ARG 125 -31.337 -41.705 -27.034
  940    HG3  ARG 125           HG1      ARG 125 -29.927 -40.647 -27.004
  941    HD2  ARG 125           HD2      ARG 125 -29.210 -42.946 -27.359
  942    HD3  ARG 125           HD1      ARG 125 -28.674 -42.404 -25.772
  943    HE   ARG 125           HE       ARG 125 -31.094 -43.596 -25.288
  944   HH11  ARG 125          HH21      ARG 125 -28.169 -44.522 -26.898
  945   HH12  ARG 125          HH22      ARG 125 -28.309 -46.197 -26.479
  946   HH21  ARG 125          HH11      ARG 125 -31.275 -45.786 -24.732
  947   HH22  ARG 125          HH12      ARG 125 -30.065 -46.911 -25.253
  948    H    GLU 126           HN       GLU 126 -30.629 -38.524 -27.172
  949    HA   GLU 126           HA       GLU 126 -29.716 -36.199 -25.650
  950    HB2  GLU 126           HB2      GLU 126 -27.732 -37.789 -27.288
  951    HB3  GLU 126           HB1      GLU 126 -27.409 -36.403 -26.254
  952    HG2  GLU 126           HG2      GLU 126 -28.078 -37.710 -24.274
  953    HG3  GLU 126           HG1      GLU 126 -28.420 -39.097 -25.302
  954    H    ILE 127           HN       ILE 127 -30.594 -34.628 -26.822
  955    HA   ILE 127           HA       ILE 127 -31.025 -34.846 -29.654
  956    HB   ILE 127           HB       ILE 127 -31.150 -32.325 -27.988
  957   HG12  ILE 127          HG12      ILE 127 -32.533 -33.867 -26.804
  958   HG13  ILE 127          HG11      ILE 127 -33.643 -32.965 -27.836
  959   HG21  ILE 127          HG21      ILE 127 -32.672 -31.553 -29.678
  960   HG22  ILE 127          HG22      ILE 127 -32.736 -33.147 -30.430
  961   HG23  ILE 127          HG23      ILE 127 -31.256 -32.193 -30.512
  962   HD11  ILE 127          HD11      ILE 127 -33.241 -34.866 -29.559
  963   HD12  ILE 127          HD12      ILE 127 -34.282 -35.207 -28.177
  964   HD13  ILE 127          HD13      ILE 127 -32.611 -35.774 -28.186
  965    H    HIS 128           HN       HIS 128 -29.589 -34.509 -31.189
  966    HA   HIS 128           HA       HIS 128 -27.118 -33.044 -30.535
  967    HB2  HIS 128           HB2      HIS 128 -27.748 -34.956 -32.797
  968    HB3  HIS 128           HB1      HIS 128 -26.181 -34.198 -32.512
  969    HD2  HIS 128           HD2      HIS 128 -24.734 -35.286 -30.312
  970    HE1  HIS 128           HE1      HIS 128 -27.538 -38.302 -29.402
  971    HE2  HIS 128           HE2      HIS 128 -25.192 -37.449 -28.925
  972    H    SER 129           HN       SER 129 -29.867 -33.102 -32.724
  973    HA   SER 129           HA       SER 129 -29.206 -30.385 -33.583
  974    HB2  SER 129           HB2      SER 129 -28.144 -31.767 -35.290
  975    HB3  SER 129           HB1      SER 129 -29.639 -32.669 -35.525
  976    HG   SER 129           HG       SER 129 -30.599 -30.811 -36.295
  977    H    CYS 130           HN       CYS 130 -30.975 -29.162 -34.096
  978    HA   CYS 130           HA       CYS 130 -33.597 -30.448 -34.315
  979    HB2  CYS 130           HB2      CYS 130 -33.840 -30.062 -32.063
  980    HB3  CYS 130           HB1      CYS 130 -32.696 -28.717 -32.059
  981    HG   CYS 130           HG       CYS 130 -35.593 -28.420 -33.220
  982    H    LYS 131           HN       LYS 131 -34.731 -29.530 -35.894
  983    HA   LYS 131           HA       LYS 131 -33.883 -26.869 -36.862
  984    HB2  LYS 131           HB2      LYS 131 -35.276 -29.149 -38.279
  985    HB3  LYS 131           HB1      LYS 131 -34.971 -27.564 -38.992
  986    HG2  LYS 131           HG2      LYS 131 -32.563 -27.856 -38.698
  987    HG3  LYS 131           HG1      LYS 131 -32.827 -29.397 -37.887
  988    HD2  LYS 131           HD2      LYS 131 -32.225 -29.395 -40.437
  989    HD3  LYS 131           HD1      LYS 131 -33.488 -30.478 -39.856
  990    HE2  LYS 131           HE2      LYS 131 -35.221 -29.004 -40.612
  991    HE3  LYS 131           HE1      LYS 131 -34.071 -27.704 -40.921
  992    HZ1  LYS 131           HZ1      LYS 131 -33.412 -28.624 -42.850
  993    HZ2  LYS 131           HZ2      LYS 131 -34.951 -29.342 -42.798
  994    HZ3  LYS 131           HZ3      LYS 131 -33.585 -30.218 -42.296
  995    H    VAL 132           HN       VAL 132 -35.896 -25.962 -38.255
  996    HA   VAL 132           HA       VAL 132 -37.883 -24.830 -38.119
  997    HB   VAL 132           HB       VAL 132 -38.748 -27.336 -36.657
  998   HG11  VAL 132          HG11      VAL 132 -40.747 -25.903 -38.229
  999   HG12  VAL 132          HG12      VAL 132 -40.099 -24.906 -36.927
 1000   HG13  VAL 132          HG13      VAL 132 -40.826 -26.468 -36.562
 1001   HG21  VAL 132          HG21      VAL 132 -37.842 -27.090 -39.262
 1002   HG22  VAL 132          HG22      VAL 132 -39.586 -26.906 -39.443
 1003   HG23  VAL 132          HG23      VAL 132 -38.927 -28.349 -38.679
 1004    H    LEU 133           HN       LEU 133 -37.439 -23.090 -36.874
 1005    HA   LEU 133           HA       LEU 133 -37.807 -23.362 -33.955
 1006    HB2  LEU 133           HB2      LEU 133 -36.128 -21.493 -35.616
 1007    HB3  LEU 133           HB1      LEU 133 -36.597 -21.072 -33.968
 1008    HG   LEU 133           HG       LEU 133 -34.408 -22.174 -33.959
 1009   HD11  LEU 133          HD11      LEU 133 -36.613 -22.883 -32.404
 1010   HD12  LEU 133          HD12      LEU 133 -34.928 -23.232 -32.034
 1011   HD13  LEU 133          HD13      LEU 133 -35.911 -24.432 -32.873
 1012   HD21  LEU 133          HD21      LEU 133 -35.571 -24.777 -34.847
 1013   HD22  LEU 133          HD22      LEU 133 -33.935 -24.151 -35.049
 1014   HD23  LEU 133          HD23      LEU 133 -35.231 -23.581 -36.099
 1015    H    GLU 134           HN       GLU 134 -38.812 -21.506 -32.874
 1016    HA   GLU 134           HA       GLU 134 -40.630 -19.948 -34.581
 1017    HB2  GLU 134           HB2      GLU 134 -41.410 -22.126 -32.837
 1018    HB3  GLU 134           HB1      GLU 134 -42.117 -20.610 -32.288
 1019    HG2  GLU 134           HG2      GLU 134 -43.611 -21.643 -33.887
 1020    HG3  GLU 134           HG1      GLU 134 -42.919 -20.188 -34.606
 1021    H    GLY 135           HN       GLY 135 -40.063 -17.918 -34.136
 1022    HA2  GLY 135           HA2      GLY 135 -39.281 -16.072 -32.971
 1023    HA3  GLY 135           HA1      GLY 135 -40.595 -16.505 -31.883
 1024    H    VAL 136           HN       VAL 136 -40.158 -17.625 -29.987
 1025    HA   VAL 136           HA       VAL 136 -37.303 -17.891 -29.264
 1026    HB   VAL 136           HB       VAL 136 -39.565 -17.033 -27.442
 1027   HG11  VAL 136          HG11      VAL 136 -37.922 -18.151 -26.134
 1028   HG12  VAL 136          HG12      VAL 136 -37.519 -16.443 -25.986
 1029   HG13  VAL 136          HG13      VAL 136 -36.597 -17.476 -27.077
 1030   HG21  VAL 136          HG21      VAL 136 -38.602 -14.822 -27.540
 1031   HG22  VAL 136          HG22      VAL 136 -38.852 -15.350 -29.202
 1032   HG23  VAL 136          HG23      VAL 136 -37.237 -15.397 -28.494
 1033    H    TRP 137           HN       TRP 137 -36.711 -19.707 -28.146
 1034    HA   TRP 137           HA       TRP 137 -38.832 -21.709 -27.618
 1035    HB2  TRP 137           HB2      TRP 137 -37.257 -22.078 -29.656
 1036    HB3  TRP 137           HB1      TRP 137 -36.034 -22.462 -28.441
 1037    HD1  TRP 137           HD1      TRP 137 -36.259 -24.710 -27.134
 1038    HE1  TRP 137           HE1      TRP 137 -37.811 -26.754 -27.380
 1039    HE3  TRP 137           HE3      TRP 137 -39.732 -22.797 -30.349
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.204 -27.476 -28.755
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.634 -24.188 -31.115
 1042    HH2  TRP 137           HH2      TRP 137 -41.873 -26.524 -30.320
 1043    H    ILE 138           HN       ILE 138 -37.995 -23.473 -26.146
 1044    HA   ILE 138           HA       ILE 138 -35.991 -22.602 -24.208
 1045    HB   ILE 138           HB       ILE 138 -38.888 -23.079 -23.502
 1046   HG12  ILE 138          HG12      ILE 138 -36.939 -20.853 -22.817
 1047   HG13  ILE 138          HG11      ILE 138 -38.168 -20.770 -24.077
 1048   HG21  ILE 138          HG21      ILE 138 -37.559 -24.423 -21.965
 1049   HG22  ILE 138          HG22      ILE 138 -38.127 -22.983 -21.123
 1050   HG23  ILE 138          HG23      ILE 138 -36.458 -23.074 -21.684
 1051   HD11  ILE 138          HD11      ILE 138 -38.616 -21.050 -21.097
 1052   HD12  ILE 138          HD12      ILE 138 -39.897 -21.270 -22.292
 1053   HD13  ILE 138          HD13      ILE 138 -39.096 -19.706 -22.133
 1054    H    PHE 139           HN       PHE 139 -34.701 -24.268 -23.817
 1055    HA   PHE 139           HA       PHE 139 -35.774 -27.008 -24.123
 1056    HB2  PHE 139           HB2      PHE 139 -33.277 -25.726 -24.928
 1057    HB3  PHE 139           HB1      PHE 139 -32.998 -27.193 -23.993
 1058    HD1  PHE 139           HD1      PHE 139 -35.980 -26.564 -26.114
 1059    HD2  PHE 139           HD2      PHE 139 -32.213 -28.600 -25.772
 1060    HE1  PHE 139           HE1      PHE 139 -36.552 -27.950 -28.083
 1061    HE2  PHE 139           HE2      PHE 139 -32.785 -29.985 -27.745
 1062    HZ   PHE 139           HZ       PHE 139 -34.956 -29.662 -28.900
 1063    H    TYR 140           HN       TYR 140 -35.763 -28.360 -22.430
 1064    HA   TYR 140           HA       TYR 140 -34.605 -27.336 -19.907
 1065    HB2  TYR 140           HB2      TYR 140 -37.043 -28.945 -20.567
 1066    HB3  TYR 140           HB1      TYR 140 -36.294 -29.137 -18.990
 1067    HD1  TYR 140           HD2      TYR 140 -35.818 -26.990 -17.627
 1068    HD2  TYR 140           HD1      TYR 140 -38.465 -27.127 -21.003
 1069    HE1  TYR 140           HE2      TYR 140 -36.895 -24.898 -16.862
 1070    HE2  TYR 140           HE1      TYR 140 -39.540 -25.031 -20.242
 1071    HH   TYR 140           HH       TYR 140 -39.830 -23.805 -18.032
 1072    H    GLU 141           HN       GLU 141 -32.686 -28.279 -19.535
 1073    HA   GLU 141           HA       GLU 141 -31.676 -30.584 -20.635
 1074    HB2  GLU 141           HB2      GLU 141 -30.420 -28.872 -19.276
 1075    HB3  GLU 141           HB1      GLU 141 -31.075 -29.631 -17.825
 1076    HG2  GLU 141           HG2      GLU 141 -30.045 -31.785 -18.499
 1077    HG3  GLU 141           HG1      GLU 141 -29.382 -31.007 -19.931
 1078    H    LEU 142           HN       LEU 142 -33.962 -30.243 -18.041
 1079    HA   LEU 142           HA       LEU 142 -33.866 -33.159 -17.565
 1080    HB2  LEU 142           HB2      LEU 142 -34.144 -30.854 -15.763
 1081    HB3  LEU 142           HB1      LEU 142 -35.346 -32.113 -15.494
 1082    HG   LEU 142           HG       LEU 142 -33.498 -33.798 -15.411
 1083   HD11  LEU 142          HD11      LEU 142 -31.197 -33.072 -15.291
 1084   HD12  LEU 142          HD12      LEU 142 -31.676 -31.375 -15.333
 1085   HD13  LEU 142          HD13      LEU 142 -31.892 -32.389 -16.758
 1086   HD21  LEU 142          HD21      LEU 142 -32.668 -33.123 -13.181
 1087   HD22  LEU 142          HD22      LEU 142 -34.396 -32.806 -13.336
 1088   HD23  LEU 142          HD23      LEU 142 -33.242 -31.479 -13.467
 1089    HA   PRO 143           HA       PRO 143 -37.953 -33.412 -19.128
 1090    HB2  PRO 143           HB2      PRO 143 -38.997 -35.455 -17.664
 1091    HB3  PRO 143           HB1      PRO 143 -37.737 -35.698 -18.888
 1092    HG2  PRO 143           HG2      PRO 143 -37.513 -35.621 -15.933
 1093    HG3  PRO 143           HG1      PRO 143 -36.622 -36.593 -17.114
 1094    HD2  PRO 143           HD2      PRO 143 -35.643 -34.293 -15.890
 1095    HD3  PRO 143           HD1      PRO 143 -35.017 -34.986 -17.401
 1096    H    ASN 144           HN       ASN 144 -40.294 -33.386 -18.506
 1097    HA   ASN 144           HA       ASN 144 -42.091 -32.532 -17.373
 1098    HB2  ASN 144           HB2      ASN 144 -40.249 -32.389 -14.972
 1099    HB3  ASN 144           HB1      ASN 144 -42.005 -32.285 -14.954
 1100   HD21  ASN 144          HD21      ASN 144 -39.312 -34.510 -15.718
 1101   HD22  ASN 144          HD22      ASN 144 -40.215 -35.930 -15.504
 1102    H    TYR 145           HN       TYR 145 -39.781 -30.893 -18.603
 1103    HA   TYR 145           HA       TYR 145 -39.524 -28.672 -19.093
 1104    HB2  TYR 145           HB2      TYR 145 -41.649 -27.873 -17.136
 1105    HB3  TYR 145           HB1      TYR 145 -41.253 -27.179 -18.707
 1106    HD1  TYR 145           HD2      TYR 145 -41.455 -28.985 -20.724
 1107    HD2  TYR 145           HD1      TYR 145 -43.618 -29.115 -17.017
 1108    HE1  TYR 145           HE2      TYR 145 -43.198 -30.390 -21.782
 1109    HE2  TYR 145           HE1      TYR 145 -45.353 -30.530 -18.080
 1110    HH   TYR 145           HH       TYR 145 -46.055 -31.477 -19.958
 1111    H    ARG 146           HN       ARG 146 -38.094 -29.989 -16.928
 1112    HA   ARG 146           HA       ARG 146 -37.488 -27.626 -15.256
 1113    HB2  ARG 146           HB2      ARG 146 -37.377 -30.546 -14.479
 1114    HB3  ARG 146           HB1      ARG 146 -36.752 -29.224 -13.490
 1115    HG2  ARG 146           HG2      ARG 146 -39.133 -28.193 -13.794
 1116    HG3  ARG 146           HG1      ARG 146 -39.604 -29.833 -14.239
 1117    HD2  ARG 146           HD2      ARG 146 -38.146 -29.139 -11.682
 1118    HD3  ARG 146           HD1      ARG 146 -39.893 -29.302 -11.797
 1119    HE   ARG 146           HE       ARG 146 -38.496 -31.614 -12.793
 1120   HH11  ARG 146          HH21      ARG 146 -39.669 -29.961  -9.980
 1121   HH12  ARG 146          HH22      ARG 146 -39.796 -31.398  -9.021
 1122   HH21  ARG 146          HH11      ARG 146 -38.656 -33.497 -11.534
 1123   HH22  ARG 146          HH12      ARG 146 -39.223 -33.396  -9.900
 1124    H    GLY 147           HN       GLY 147 -35.208 -27.897 -14.251
 1125    HA2  GLY 147           HA2      GLY 147 -32.918 -28.418 -14.555
 1126    HA3  GLY 147           HA1      GLY 147 -33.315 -29.110 -16.126
 1127    H    ARG 148           HN       ARG 148 -31.185 -27.602 -16.139
 1128    HA   ARG 148           HA       ARG 148 -31.280 -24.863 -16.364
 1129    HB2  ARG 148           HB2      ARG 148 -29.766 -26.744 -18.197
 1130    HB3  ARG 148           HB1      ARG 148 -29.389 -25.042 -17.907
 1131    HG2  ARG 148           HG2      ARG 148 -29.021 -25.543 -15.509
 1132    HG3  ARG 148           HG1      ARG 148 -29.361 -27.245 -15.820
 1133    HD2  ARG 148           HD2      ARG 148 -27.482 -27.234 -17.497
 1134    HD3  ARG 148           HD1      ARG 148 -27.085 -25.605 -16.960
 1135    HE   ARG 148           HE       ARG 148 -27.199 -27.297 -14.705
 1136   HH11  ARG 148          HH21      ARG 148 -25.339 -26.731 -17.570
 1137   HH12  ARG 148          HH22      ARG 148 -23.856 -27.303 -16.885
 1138   HH21  ARG 148          HH11      ARG 148 -25.258 -28.047 -13.803
 1139   HH22  ARG 148          HH12      ARG 148 -23.810 -28.048 -14.752
 1140    H    GLN 149           HN       GLN 149 -32.057 -23.413 -17.809
 1141    HA   GLN 149           HA       GLN 149 -33.718 -24.448 -20.007
 1142    HB2  GLN 149           HB2      GLN 149 -33.564 -21.729 -18.696
 1143    HB3  GLN 149           HB1      GLN 149 -34.655 -22.140 -20.014
 1144    HG2  GLN 149           HG2      GLN 149 -35.862 -23.662 -18.668
 1145    HG3  GLN 149           HG1      GLN 149 -34.601 -23.703 -17.433
 1146   HE21  GLN 149          HE21      GLN 149 -36.366 -23.052 -15.897
 1147   HE22  GLN 149          HE22      GLN 149 -36.814 -21.417 -15.793
 1148    H    TYR 150           HN       TYR 150 -32.914 -24.377 -22.026
 1149    HA   TYR 150           HA       TYR 150 -30.611 -22.621 -22.560
 1150    HB2  TYR 150           HB2      TYR 150 -31.739 -24.975 -24.091
 1151    HB3  TYR 150           HB1      TYR 150 -30.408 -23.974 -24.671
 1152    HD1  TYR 150           HD2      TYR 150 -28.435 -23.612 -22.966
 1153    HD2  TYR 150           HD1      TYR 150 -31.251 -26.852 -22.759
 1154    HE1  TYR 150           HE2      TYR 150 -26.837 -24.915 -21.591
 1155    HE2  TYR 150           HE1      TYR 150 -29.648 -28.155 -21.384
 1156    HH   TYR 150           HH       TYR 150 -26.374 -26.969 -20.767
 1157    H    LEU 151           HN       LEU 151 -30.775 -20.875 -23.778
 1158    HA   LEU 151           HA       LEU 151 -32.942 -20.574 -25.709
 1159    HB2  LEU 151           HB2      LEU 151 -34.071 -19.665 -23.832
 1160    HB3  LEU 151           HB1      LEU 151 -32.619 -18.856 -23.244
 1161    HG   LEU 151           HG       LEU 151 -33.386 -18.048 -25.971
 1162   HD11  LEU 151          HD11      LEU 151 -35.275 -16.611 -25.147
 1163   HD12  LEU 151          HD12      LEU 151 -35.240 -17.516 -23.634
 1164   HD13  LEU 151          HD13      LEU 151 -35.642 -18.336 -25.143
 1165   HD21  LEU 151          HD21      LEU 151 -32.023 -17.008 -23.677
 1166   HD22  LEU 151          HD22      LEU 151 -33.352 -15.914 -24.054
 1167   HD23  LEU 151          HD23      LEU 151 -32.147 -16.293 -25.284
 1168    H    LEU 152           HN       LEU 152 -31.452 -20.434 -27.365
 1169    HA   LEU 152           HA       LEU 152 -29.588 -18.145 -27.217
 1170    HB2  LEU 152           HB2      LEU 152 -28.491 -20.415 -27.213
 1171    HB3  LEU 152           HB1      LEU 152 -29.183 -20.682 -28.813
 1172    HG   LEU 152           HG       LEU 152 -28.014 -18.691 -29.670
 1173   HD11  LEU 152          HD11      LEU 152 -27.697 -17.138 -28.003
 1174   HD12  LEU 152          HD12      LEU 152 -26.131 -17.938 -27.879
 1175   HD13  LEU 152          HD13      LEU 152 -27.430 -18.367 -26.766
 1176   HD21  LEU 152          HD21      LEU 152 -26.559 -20.408 -30.092
 1177   HD22  LEU 152          HD22      LEU 152 -26.607 -20.990 -28.428
 1178   HD23  LEU 152          HD23      LEU 152 -25.581 -19.620 -28.855
 1179    H    ASP 153           HN       ASP 153 -29.535 -16.765 -28.941
 1180    HA   ASP 153           HA       ASP 153 -31.785 -16.892 -30.767
 1181    HB2  ASP 153           HB2      ASP 153 -31.300 -14.735 -29.854
 1182    HB3  ASP 153           HB1      ASP 153 -29.602 -14.852 -30.310
 1183    H    LYS 154           HN       LYS 154 -31.625 -18.170 -32.483
 1184    HA   LYS 154           HA       LYS 154 -29.506 -17.719 -34.377
 1185    HB2  LYS 154           HB2      LYS 154 -28.992 -19.706 -32.541
 1186    HB3  LYS 154           HB1      LYS 154 -29.738 -20.610 -33.851
 1187    HG2  LYS 154           HG2      LYS 154 -27.081 -20.038 -33.746
 1188    HG3  LYS 154           HG1      LYS 154 -27.952 -20.304 -35.252
 1189    HD2  LYS 154           HD2      LYS 154 -28.189 -17.948 -35.632
 1190    HD3  LYS 154           HD1      LYS 154 -27.646 -17.562 -33.998
 1191    HE2  LYS 154           HE2      LYS 154 -25.444 -18.748 -34.679
 1192    HE3  LYS 154           HE1      LYS 154 -26.032 -18.563 -36.334
 1193    HZ1  LYS 154           HZ1      LYS 154 -25.619 -16.391 -36.305
 1194    HZ2  LYS 154           HZ2      LYS 154 -24.711 -16.668 -34.896
 1195    HZ3  LYS 154           HZ3      LYS 154 -26.334 -16.179 -34.782
 1196    H    LYS 155           HN       LYS 155 -29.871 -19.883 -36.040
 1197    HA   LYS 155           HA       LYS 155 -32.758 -19.737 -36.677
 1198    HB2  LYS 155           HB2      LYS 155 -30.593 -19.842 -38.773
 1199    HB3  LYS 155           HB1      LYS 155 -32.288 -19.397 -38.964
 1200    HG2  LYS 155           HG2      LYS 155 -31.968 -17.267 -38.174
 1201    HG3  LYS 155           HG1      LYS 155 -30.699 -17.753 -37.054
 1202    HD2  LYS 155           HD2      LYS 155 -29.621 -18.267 -39.585
 1203    HD3  LYS 155           HD1      LYS 155 -30.461 -16.726 -39.765
 1204    HE2  LYS 155           HE2      LYS 155 -29.307 -16.024 -37.579
 1205    HE3  LYS 155           HE1      LYS 155 -28.278 -17.439 -37.802
 1206    HZ1  LYS 155           HZ1      LYS 155 -28.361 -14.951 -39.294
 1207    HZ2  LYS 155           HZ2      LYS 155 -28.145 -16.361 -40.218
 1208    HZ3  LYS 155           HZ3      LYS 155 -27.054 -15.983 -38.971
 1209    H    GLU 156           HN       GLU 156 -30.359 -21.772 -35.759
 1210    HA   GLU 156           HA       GLU 156 -31.782 -24.130 -36.285
 1211    HB2  GLU 156           HB2      GLU 156 -30.751 -23.277 -38.643
 1212    HB3  GLU 156           HB1      GLU 156 -29.406 -24.248 -38.053
 1213    HG2  GLU 156           HG2      GLU 156 -30.840 -26.183 -37.790
 1214    HG3  GLU 156           HG1      GLU 156 -32.269 -25.231 -38.189
 1215    H    TYR 157           HN       TYR 157 -30.613 -26.076 -35.676
 1216    HA   TYR 157           HA       TYR 157 -28.103 -25.544 -34.207
 1217    HB2  TYR 157           HB2      TYR 157 -30.242 -27.435 -33.234
 1218    HB3  TYR 157           HB1      TYR 157 -28.842 -26.831 -32.351
 1219    HD1  TYR 157           HD2      TYR 157 -28.757 -24.039 -32.560
 1220    HD2  TYR 157           HD1      TYR 157 -32.246 -26.542 -32.496
 1221    HE1  TYR 157           HE2      TYR 157 -30.111 -22.129 -31.747
 1222    HE2  TYR 157           HE1      TYR 157 -33.598 -24.636 -31.681
 1223    HH   TYR 157           HH       TYR 157 -32.290 -21.386 -31.527
 1224    H    ARG 158           HN       ARG 158 -26.560 -26.668 -35.230
 1225    HA   ARG 158           HA       ARG 158 -27.246 -29.293 -36.391
 1226    HB2  ARG 158           HB2      ARG 158 -25.441 -29.015 -37.883
 1227    HB3  ARG 158           HB1      ARG 158 -26.182 -27.418 -37.791
 1228    HG2  ARG 158           HG2      ARG 158 -24.434 -27.203 -35.749
 1229    HG3  ARG 158           HG1      ARG 158 -23.553 -28.350 -36.757
 1230    HD2  ARG 158           HD2      ARG 158 -24.598 -25.643 -37.595
 1231    HD3  ARG 158           HD1      ARG 158 -22.914 -26.091 -37.358
 1232    HE   ARG 158           HE       ARG 158 -24.424 -27.596 -39.363
 1233   HH11  ARG 158          HH21      ARG 158 -22.133 -25.110 -38.572
 1234   HH12  ARG 158          HH22      ARG 158 -21.465 -25.036 -40.168
 1235   HH21  ARG 158          HH11      ARG 158 -23.556 -27.485 -41.450
 1236   HH22  ARG 158          HH12      ARG 158 -22.270 -26.377 -41.794
 1237    H    LYS 159           HN       LYS 159 -25.466 -27.754 -33.872
 1238    HA   LYS 159           HA       LYS 159 -24.200 -30.338 -33.197
 1239    HB2  LYS 159           HB2      LYS 159 -22.459 -28.814 -32.014
 1240    HB3  LYS 159           HB1      LYS 159 -22.353 -29.013 -33.765
 1241    HG2  LYS 159           HG2      LYS 159 -23.291 -26.883 -34.179
 1242    HG3  LYS 159           HG1      LYS 159 -23.935 -26.753 -32.541
 1243    HD2  LYS 159           HD2      LYS 159 -21.827 -26.304 -31.610
 1244    HD3  LYS 159           HD1      LYS 159 -20.967 -26.975 -32.996
 1245    HE2  LYS 159           HE2      LYS 159 -22.751 -24.684 -33.594
 1246    HE3  LYS 159           HE1      LYS 159 -21.335 -24.308 -32.613
 1247    HZ1  LYS 159           HZ1      LYS 159 -20.499 -24.116 -34.721
 1248    HZ2  LYS 159           HZ2      LYS 159 -21.475 -25.354 -35.354
 1249    HZ3  LYS 159           HZ3      LYS 159 -20.129 -25.738 -34.392
 1250    HA   PRO 160           HA       PRO 160 -26.118 -30.188 -29.271
 1251    HB2  PRO 160           HB2      PRO 160 -24.010 -30.859 -27.597
 1252    HB3  PRO 160           HB1      PRO 160 -24.987 -32.003 -28.527
 1253    HG2  PRO 160           HG2      PRO 160 -22.295 -30.925 -29.102
 1254    HG3  PRO 160           HG1      PRO 160 -22.968 -32.530 -29.430
 1255    HD2  PRO 160           HD2      PRO 160 -22.664 -30.648 -31.373
 1256    HD3  PRO 160           HD1      PRO 160 -23.954 -31.865 -31.405
 1257    H    ILE 161           HN       ILE 161 -23.321 -28.216 -29.827
 1258    HA   ILE 161           HA       ILE 161 -23.785 -26.681 -27.369
 1259    HB   ILE 161           HB       ILE 161 -21.661 -26.267 -29.478
 1260   HG12  ILE 161          HG12      ILE 161 -20.450 -27.380 -27.262
 1261   HG13  ILE 161          HG11      ILE 161 -21.962 -28.283 -27.353
 1262   HG21  ILE 161          HG21      ILE 161 -22.461 -24.871 -27.070
 1263   HG22  ILE 161          HG22      ILE 161 -21.216 -24.435 -28.241
 1264   HG23  ILE 161          HG23      ILE 161 -20.824 -25.500 -26.891
 1265   HD11  ILE 161          HD11      ILE 161 -20.386 -27.854 -29.870
 1266   HD12  ILE 161          HD12      ILE 161 -21.450 -29.189 -29.431
 1267   HD13  ILE 161          HD13      ILE 161 -19.839 -29.077 -28.725
 1268    H    ASP 162           HN       ASP 162 -24.847 -26.743 -30.521
 1269    HA   ASP 162           HA       ASP 162 -24.817 -24.111 -31.375
 1270    HB2  ASP 162           HB2      ASP 162 -25.864 -26.446 -32.350
 1271    HB3  ASP 162           HB1      ASP 162 -27.320 -25.540 -31.960
 1272    H    TRP 163           HN       TRP 163 -26.855 -25.655 -28.966
 1273    HA   TRP 163           HA       TRP 163 -28.423 -23.173 -28.695
 1274    HB2  TRP 163           HB2      TRP 163 -29.785 -24.720 -27.090
 1275    HB3  TRP 163           HB1      TRP 163 -29.977 -24.904 -28.834
 1276    HD1  TRP 163           HD1      TRP 163 -27.707 -26.357 -26.069
 1277    HE1  TRP 163           HE1      TRP 163 -27.347 -28.860 -26.569
 1278    HE3  TRP 163           HE3      TRP 163 -30.323 -26.780 -30.419
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.047 -30.762 -28.527
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.456 -28.962 -31.591
 1281    HH2  TRP 163           HH2      TRP 163 -29.318 -30.956 -30.646
 1282    H    GLY 164           HN       GLY 164 -25.615 -23.695 -27.795
 1283    HA2  GLY 164           HA2      GLY 164 -24.315 -23.006 -26.040
 1284    HA3  GLY 164           HA1      GLY 164 -25.776 -22.343 -25.323
 1285    H    ALA 165           HN       ALA 165 -25.490 -25.798 -26.076
 1286    HA   ALA 165           HA       ALA 165 -25.551 -26.314 -23.162
 1287    HB1  ALA 165           HB1      ALA 165 -27.454 -27.231 -24.368
 1288    HB2  ALA 165           HB2      ALA 165 -26.425 -28.541 -23.792
 1289    HB3  ALA 165           HB3      ALA 165 -26.369 -28.058 -25.483
 1290    H    ALA 166           HN       ALA 166 -24.025 -27.509 -22.201
 1291    HA   ALA 166           HA       ALA 166 -21.537 -27.907 -23.573
 1292    HB1  ALA 166           HB1      ALA 166 -21.144 -29.164 -21.226
 1293    HB2  ALA 166           HB2      ALA 166 -22.544 -28.186 -20.791
 1294    HB3  ALA 166           HB3      ALA 166 -21.078 -27.410 -21.389
 1295    H    SER 167           HN       SER 167 -24.085 -29.516 -24.269
 1296    HA   SER 167           HA       SER 167 -22.921 -31.822 -25.213
 1297    HB2  SER 167           HB2      SER 167 -23.491 -31.970 -22.343
 1298    HB3  SER 167           HB1      SER 167 -24.247 -33.263 -23.268
 1299    HG   SER 167           HG       SER 167 -22.129 -33.836 -22.691
 1300    HA   PRO 168           HA       PRO 168 -27.003 -32.164 -26.891
 1301    HB2  PRO 168           HB2      PRO 168 -26.965 -34.732 -27.802
 1302    HB3  PRO 168           HB1      PRO 168 -26.069 -33.420 -28.588
 1303    HG2  PRO 168           HG2      PRO 168 -25.098 -35.541 -26.754
 1304    HG3  PRO 168           HG1      PRO 168 -24.308 -34.827 -28.167
 1305    HD2  PRO 168           HD2      PRO 168 -23.686 -34.149 -25.566
 1306    HD3  PRO 168           HD1      PRO 168 -23.439 -33.071 -26.953
 1307    H    ALA 169           HN       ALA 169 -26.137 -33.607 -24.054
 1308    HA   ALA 169           HA       ALA 169 -28.330 -35.454 -23.732
 1309    HB1  ALA 169           HB1      ALA 169 -25.972 -35.465 -22.587
 1310    HB2  ALA 169           HB2      ALA 169 -27.387 -35.943 -21.648
 1311    HB3  ALA 169           HB3      ALA 169 -26.710 -34.325 -21.464
 1312    H    VAL 170           HN       VAL 170 -29.953 -33.835 -24.374
 1313    HA   VAL 170           HA       VAL 170 -30.640 -31.948 -22.222
 1314    HB   VAL 170           HB       VAL 170 -31.991 -32.113 -24.916
 1315   HG11  VAL 170          HG11      VAL 170 -33.086 -30.284 -24.180
 1316   HG12  VAL 170          HG12      VAL 170 -31.573 -29.488 -23.748
 1317   HG13  VAL 170          HG13      VAL 170 -32.364 -30.561 -22.596
 1318   HG21  VAL 170          HG21      VAL 170 -29.228 -31.408 -24.396
 1319   HG22  VAL 170          HG22      VAL 170 -30.118 -29.990 -24.946
 1320   HG23  VAL 170          HG23      VAL 170 -30.089 -31.449 -25.935
 1321    H    GLN 171           HN       GLN 171 -33.448 -31.981 -23.272
 1322    HA   GLN 171           HA       GLN 171 -34.428 -34.630 -22.733
 1323    HB2  GLN 171           HB2      GLN 171 -34.373 -32.557 -20.616
 1324    HB3  GLN 171           HB1      GLN 171 -35.898 -33.406 -20.790
 1325    HG2  GLN 171           HG2      GLN 171 -33.179 -34.590 -20.244
 1326    HG3  GLN 171           HG1      GLN 171 -34.615 -34.657 -19.227
 1327   HE21  GLN 171          HE21      GLN 171 -32.856 -36.395 -21.535
 1328   HE22  GLN 171          HE22      GLN 171 -34.065 -37.508 -21.979
 1329    H    SER 172           HN       SER 172 -36.936 -32.970 -21.725
 1330    HA   SER 172           HA       SER 172 -38.053 -32.760 -24.397
 1331    HB2  SER 172           HB2      SER 172 -38.966 -33.799 -22.071
 1332    HB3  SER 172           HB1      SER 172 -39.750 -32.224 -22.064
 1333    HG   SER 172           HG       SER 172 -40.949 -33.838 -23.198
 1334    H    PHE 173           HN       PHE 173 -40.155 -30.918 -23.514
 1335    HA   PHE 173           HA       PHE 173 -38.980 -28.433 -22.808
 1336    HB2  PHE 173           HB2      PHE 173 -39.183 -27.312 -25.018
 1337    HB3  PHE 173           HB1      PHE 173 -37.945 -28.571 -25.004
 1338    HD1  PHE 173           HD1      PHE 173 -41.406 -27.760 -26.064
 1339    HD2  PHE 173           HD2      PHE 173 -38.164 -30.566 -26.313
 1340    HE1  PHE 173           HE1      PHE 173 -42.567 -28.940 -27.906
 1341    HE2  PHE 173           HE2      PHE 173 -39.326 -31.744 -28.152
 1342    HZ   PHE 173           HZ       PHE 173 -41.529 -30.933 -28.952
 1343    H    ARG 174           HN       ARG 174 -40.570 -26.605 -23.803
 1344    HA   ARG 174           HA       ARG 174 -43.295 -27.465 -24.000
 1345    HB2  ARG 174           HB2      ARG 174 -43.994 -26.113 -21.952
 1346    HB3  ARG 174           HB1      ARG 174 -43.260 -27.687 -21.651
 1347    HG2  ARG 174           HG2      ARG 174 -41.215 -26.759 -20.967
 1348    HG3  ARG 174           HG1      ARG 174 -41.538 -25.217 -21.763
 1349    HD2  ARG 174           HD2      ARG 174 -43.105 -26.259 -19.394
 1350    HD3  ARG 174           HD1      ARG 174 -41.756 -25.130 -19.266
 1351    HE   ARG 174           HE       ARG 174 -43.494 -24.004 -21.100
 1352   HH11  ARG 174          HH21      ARG 174 -43.598 -25.077 -17.807
 1353   HH12  ARG 174          HH22      ARG 174 -44.799 -23.924 -17.329
 1354   HH21  ARG 174          HH11      ARG 174 -45.064 -22.497 -20.474
 1355   HH22  ARG 174          HH12      ARG 174 -45.628 -22.464 -18.837
 1356    H    ARG 175           HN       ARG 175 -44.374 -26.014 -25.181
 1357    HA   ARG 175           HA       ARG 175 -43.188 -23.813 -26.354
 1358    HB2  ARG 175           HB2      ARG 175 -45.408 -23.184 -27.088
 1359    HB3  ARG 175           HB1      ARG 175 -45.273 -24.942 -27.134
 1360    HG2  ARG 175           HG2      ARG 175 -46.318 -24.964 -24.810
 1361    HG3  ARG 175           HG1      ARG 175 -46.674 -23.253 -25.049
 1362    HD2  ARG 175           HD2      ARG 175 -47.878 -23.874 -27.170
 1363    HD3  ARG 175           HD1      ARG 175 -47.649 -25.567 -26.739
 1364    HE   ARG 175           HE       ARG 175 -48.860 -24.154 -24.584
 1365   HH11  ARG 175          HH21      ARG 175 -49.460 -25.470 -27.732
 1366   HH12  ARG 175          HH22      ARG 175 -51.156 -25.696 -27.463
 1367   HH21  ARG 175          HH11      ARG 175 -51.082 -24.441 -24.232
 1368   HH22  ARG 175          HH12      ARG 175 -52.073 -25.113 -25.483
 1369    H    ILE 176           HN       ILE 176 -42.801 -21.801 -25.801
 1370    HA   ILE 176           HA       ILE 176 -43.026 -20.907 -23.131
 1371    HB   ILE 176           HB       ILE 176 -42.701 -19.137 -25.563
 1372   HG12  ILE 176          HG12      ILE 176 -40.604 -20.674 -23.998
 1373   HG13  ILE 176          HG11      ILE 176 -41.092 -20.996 -25.662
 1374   HG21  ILE 176          HG21      ILE 176 -42.419 -17.500 -24.047
 1375   HG22  ILE 176          HG22      ILE 176 -41.129 -18.417 -23.271
 1376   HG23  ILE 176          HG23      ILE 176 -42.800 -18.640 -22.758
 1377   HD11  ILE 176          HD11      ILE 176 -40.200 -18.227 -24.949
 1378   HD12  ILE 176          HD12      ILE 176 -40.072 -19.086 -26.480
 1379   HD13  ILE 176          HD13      ILE 176 -38.980 -19.480 -25.157
 1380    H    VAL 177           HN       VAL 177 -44.550 -19.796 -22.070
 1381    HA   VAL 177           HA       VAL 177 -46.830 -18.690 -23.575
 1382    HB   VAL 177           HB       VAL 177 -47.853 -19.708 -21.134
 1383   HG11  VAL 177          HG11      VAL 177 -48.380 -21.260 -23.586
 1384   HG12  VAL 177          HG12      VAL 177 -48.607 -19.520 -23.766
 1385   HG13  VAL 177          HG13      VAL 177 -49.502 -20.402 -22.530
 1386   HG21  VAL 177          HG21      VAL 177 -47.272 -21.995 -21.086
 1387   HG22  VAL 177          HG22      VAL 177 -45.727 -21.190 -21.358
 1388   HG23  VAL 177          HG23      VAL 177 -46.578 -21.945 -22.706
 1389    H    GLU 178           HN       GLU 178 -47.974 -17.034 -22.506
 1390    HA   GLU 178           HA       GLU 178 -47.190 -16.062 -19.934
 1391    HB2  GLU 178           HB2      GLU 178 -45.286 -15.420 -21.580
 1392    HB3  GLU 178           HB1      GLU 178 -46.438 -14.234 -22.196
 1393    HG2  GLU 178           HG2      GLU 178 -45.922 -14.459 -19.243
 1394    HG3  GLU 178           HG1      GLU 178 -44.831 -13.540 -20.273
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1 -47.648  -5.742 -15.341
    2    H2   GLY   1           HT2      GLY   1 -48.985  -4.738 -15.036
    3    H3   GLY   1           HT3      GLY   1 -48.081  -4.546 -16.461
    4    HA2  GLY   1           HA2      GLY   1 -48.846  -7.168 -16.523
    5    HA3  GLY   1           HA1      GLY   1 -50.261  -6.304 -15.921
    6    H    SER   2           HN       SER   2 -47.862  -4.783 -17.961
    7    HA   SER   2           HA       SER   2 -49.900  -4.237 -19.983
    8    HB2  SER   2           HB2      SER   2 -48.272  -2.696 -20.913
    9    HB3  SER   2           HB1      SER   2 -48.395  -2.443 -19.178
   10    HG   SER   2           HG       SER   2 -46.293  -2.676 -19.319
   11    H    LYS   3           HN       LYS   3 -49.068  -4.303 -22.327
   12    HA   LYS   3           HA       LYS   3 -47.526  -6.793 -22.811
   13    HB2  LYS   3           HB2      LYS   3 -49.932  -5.941 -24.425
   14    HB3  LYS   3           HB1      LYS   3 -49.086  -7.493 -24.456
   15    HG2  LYS   3           HG2      LYS   3 -49.745  -7.838 -22.063
   16    HG3  LYS   3           HG1      LYS   3 -50.706  -6.362 -22.161
   17    HD2  LYS   3           HD2      LYS   3 -52.002  -7.338 -24.039
   18    HD3  LYS   3           HD1      LYS   3 -51.080  -8.833 -23.879
   19    HE2  LYS   3           HE2      LYS   3 -52.780  -7.599 -21.691
   20    HE3  LYS   3           HE1      LYS   3 -53.263  -8.961 -22.702
   21    HZ1  LYS   3           HZ1      LYS   3 -51.204 -10.101 -21.897
   22    HZ2  LYS   3           HZ2      LYS   3 -52.394  -9.850 -20.710
   23    HZ3  LYS   3           HZ3      LYS   3 -51.022  -8.850 -20.767
   24    H    THR   4           HN       THR   4 -46.438  -4.204 -22.852
   25    HA   THR   4           HA       THR   4 -45.689  -4.010 -25.698
   26    HB   THR   4           HB       THR   4 -45.929  -1.603 -25.720
   27    HG1  THR   4           HG1      THR   4 -46.750  -1.981 -23.036
   28   HG21  THR   4          HG21      THR   4 -48.470  -2.724 -24.527
   29   HG22  THR   4          HG22      THR   4 -47.934  -3.113 -26.163
   30   HG23  THR   4          HG23      THR   4 -48.314  -1.445 -25.733
   31    H    GLY   5           HN       GLY   5 -45.091  -2.399 -22.561
   32    HA2  GLY   5           HA2      GLY   5 -42.187  -2.479 -23.126
   33    HA3  GLY   5           HA1      GLY   5 -42.984  -1.415 -21.974
   34    H    THR   6           HN       THR   6 -41.094  -4.102 -22.233
   35    HA   THR   6           HA       THR   6 -42.176  -5.619 -19.999
   36    HB   THR   6           HB       THR   6 -40.245  -7.062 -20.335
   37    HG1  THR   6           HG1      THR   6 -38.570  -6.461 -21.566
   38   HG21  THR   6          HG21      THR   6 -41.223  -6.188 -23.059
   39   HG22  THR   6          HG22      THR   6 -42.221  -7.112 -21.936
   40   HG23  THR   6          HG23      THR   6 -40.723  -7.804 -22.560
   41    H    LYS   7           HN       LYS   7 -40.934  -5.997 -18.050
   42    HA   LYS   7           HA       LYS   7 -38.753  -4.244 -17.353
   43    HB2  LYS   7           HB2      LYS   7 -40.318  -2.563 -16.922
   44    HB3  LYS   7           HB1      LYS   7 -41.528  -3.706 -16.346
   45    HG2  LYS   7           HG2      LYS   7 -40.406  -4.036 -14.280
   46    HG3  LYS   7           HG1      LYS   7 -38.920  -3.278 -14.884
   47    HD2  LYS   7           HD2      LYS   7 -39.882  -1.112 -14.824
   48    HD3  LYS   7           HD1      LYS   7 -41.516  -1.750 -14.680
   49    HE2  LYS   7           HE2      LYS   7 -41.229  -2.346 -12.432
   50    HE3  LYS   7           HE1      LYS   7 -39.471  -2.375 -12.554
   51    HZ1  LYS   7           HZ1      LYS   7 -39.377  -0.252 -11.995
   52    HZ2  LYS   7           HZ2      LYS   7 -41.047  -0.287 -11.683
   53    HZ3  LYS   7           HZ3      LYS   7 -40.475   0.191 -13.209
   54    H    ILE   8           HN       ILE   8 -37.725  -4.811 -15.389
   55    HA   ILE   8           HA       ILE   8 -38.866  -7.025 -13.853
   56    HB   ILE   8           HB       ILE   8 -37.569  -8.084 -15.694
   57   HG12  ILE   8          HG12      ILE   8 -36.129  -8.482 -13.063
   58   HG13  ILE   8          HG11      ILE   8 -37.804  -8.994 -13.275
   59   HG21  ILE   8          HG21      ILE   8 -35.850  -6.356 -15.988
   60   HG22  ILE   8          HG22      ILE   8 -35.107  -7.908 -15.610
   61   HG23  ILE   8          HG23      ILE   8 -35.227  -6.672 -14.369
   62   HD11  ILE   8          HD11      ILE   8 -35.954 -10.733 -13.768
   63   HD12  ILE   8          HD12      ILE   8 -35.669  -9.814 -15.244
   64   HD13  ILE   8          HD13      ILE   8 -37.242 -10.554 -14.957
   65    H    THR   9           HN       THR   9 -38.210  -7.133 -11.750
   66    HA   THR   9           HA       THR   9 -36.208  -5.138 -10.893
   67    HB   THR   9           HB       THR   9 -38.720  -5.888  -9.385
   68    HG1  THR   9           HG1      THR   9 -38.082  -3.498 -10.762
   69   HG21  THR   9          HG21      THR   9 -38.103  -4.036  -7.934
   70   HG22  THR   9          HG22      THR   9 -36.712  -3.660  -8.950
   71   HG23  THR   9          HG23      THR   9 -36.747  -5.160  -8.023
   72    H    PHE  10           HN       PHE  10 -34.735  -5.761  -9.416
   73    HA   PHE  10           HA       PHE  10 -34.883  -8.549  -8.415
   74    HB2  PHE  10           HB2      PHE  10 -32.397  -6.956  -9.049
   75    HB3  PHE  10           HB1      PHE  10 -32.488  -8.660  -8.603
   76    HD1  PHE  10           HD2      PHE  10 -33.668 -10.274 -10.160
   77    HD2  PHE  10           HD1      PHE  10 -32.703  -6.250 -11.292
   78    HE1  PHE  10           HE2      PHE  10 -33.957 -10.881 -12.548
   79    HE2  PHE  10           HE1      PHE  10 -32.992  -6.853 -13.681
   80    HZ   PHE  10           HZ       PHE  10 -33.620  -9.167 -14.307
   81    H    TYR  11           HN       TYR  11 -35.259  -8.540  -6.286
   82    HA   TYR  11           HA       TYR  11 -34.441  -6.223  -4.678
   83    HB2  TYR  11           HB2      TYR  11 -36.279  -8.568  -4.172
   84    HB3  TYR  11           HB1      TYR  11 -35.867  -7.383  -2.945
   85    HD1  TYR  11           HD1      TYR  11 -37.642  -7.926  -6.143
   86    HD2  TYR  11           HD2      TYR  11 -36.644  -5.087  -3.073
   87    HE1  TYR  11           HE1      TYR  11 -39.396  -6.389  -6.987
   88    HE2  TYR  11           HE2      TYR  11 -38.392  -3.550  -3.927
   89    HH   TYR  11           HH       TYR  11 -39.622  -3.540  -6.742
   90    H    GLU  12           HN       GLU  12 -32.993  -6.299  -3.098
   91    HA   GLU  12           HA       GLU  12 -31.006  -8.279  -3.102
   92    HB2  GLU  12           HB2      GLU  12 -31.052  -5.801  -2.168
   93    HB3  GLU  12           HB1      GLU  12 -31.450  -6.598  -0.657
   94    HG2  GLU  12           HG2      GLU  12 -29.069  -7.394  -2.357
   95    HG3  GLU  12           HG1      GLU  12 -28.979  -6.194  -1.080
   96    H    ASP  13           HN       ASP  13 -33.618  -7.646  -0.760
   97    HA   ASP  13           HA       ASP  13 -33.129 -10.262   0.478
   98    HB2  ASP  13           HB2      ASP  13 -34.777  -7.860   1.285
   99    HB3  ASP  13           HB1      ASP  13 -34.858  -9.405   2.130
  100    H    LYS  14           HN       LYS  14 -35.413 -11.099   1.334
  101    HA   LYS  14           HA       LYS  14 -36.803 -11.939  -1.058
  102    HB2  LYS  14           HB2      LYS  14 -36.973 -12.685   1.849
  103    HB3  LYS  14           HB1      LYS  14 -38.151 -13.271   0.675
  104    HG2  LYS  14           HG2      LYS  14 -36.440 -14.336  -0.639
  105    HG3  LYS  14           HG1      LYS  14 -35.164 -13.589   0.313
  106    HD2  LYS  14           HD2      LYS  14 -37.205 -15.334   1.687
  107    HD3  LYS  14           HD1      LYS  14 -35.877 -16.084   0.808
  108    HE2  LYS  14           HE2      LYS  14 -34.271 -14.711   2.147
  109    HE3  LYS  14           HE1      LYS  14 -35.631 -14.094   3.085
  110    HZ1  LYS  14           HZ1      LYS  14 -34.555 -16.831   2.969
  111    HZ2  LYS  14           HZ2      LYS  14 -36.170 -16.561   3.430
  112    HZ3  LYS  14           HZ3      LYS  14 -34.900 -15.876   4.327
  113    H    ASN  15           HN       ASN  15 -39.306 -12.267  -0.516
  114    HA   ASN  15           HA       ASN  15 -41.310 -11.178  -0.704
  115    HB2  ASN  15           HB2      ASN  15 -40.455  -9.646   1.744
  116    HB3  ASN  15           HB1      ASN  15 -42.053 -10.248   1.319
  117   HD21  ASN  15          HD21      ASN  15 -40.637 -12.878   0.440
  118   HD22  ASN  15          HD22      ASN  15 -40.381 -13.683   1.914
  119    H    PHE  16           HN       PHE  16 -38.913  -9.845  -1.924
  120    HA   PHE  16           HA       PHE  16 -38.494  -7.963  -3.111
  121    HB2  PHE  16           HB2      PHE  16 -41.191  -6.834  -2.450
  122    HB3  PHE  16           HB1      PHE  16 -40.283  -6.746  -3.960
  123    HD1  PHE  16           HD2      PHE  16 -39.820  -9.008  -5.164
  124    HD2  PHE  16           HD1      PHE  16 -42.879  -8.446  -2.210
  125    HE1  PHE  16           HE2      PHE  16 -41.004 -11.009  -6.014
  126    HE2  PHE  16           HE1      PHE  16 -44.068 -10.448  -3.058
  127    HZ   PHE  16           HZ       PHE  16 -43.131 -11.731  -4.961
  128    H    GLN  17           HN       GLN  17 -37.642  -7.983  -0.445
  129    HA   GLN  17           HA       GLN  17 -38.109  -5.217   0.488
  130    HB2  GLN  17           HB2      GLN  17 -37.121  -7.693   1.921
  131    HB3  GLN  17           HB1      GLN  17 -37.120  -6.079   2.632
  132    HG2  GLN  17           HG2      GLN  17 -39.540  -5.917   2.362
  133    HG3  GLN  17           HG1      GLN  17 -39.577  -7.482   1.545
  134   HE21  GLN  17          HE21      GLN  17 -39.063  -9.411   2.855
  135   HE22  GLN  17          HE22      GLN  17 -39.200  -9.356   4.549
  136    H    GLY  18           HN       GLY  18 -36.073  -4.502   1.819
  137    HA2  GLY  18           HA2      GLY  18 -33.888  -3.801   1.794
  138    HA3  GLY  18           HA1      GLY  18 -33.506  -5.282   0.926
  139    H    ARG  19           HN       ARG  19 -32.017  -4.015  -0.232
  140    HA   ARG  19           HA       ARG  19 -32.575  -1.773  -1.813
  141    HB2  ARG  19           HB2      ARG  19 -30.320  -3.243  -1.443
  142    HB3  ARG  19           HB1      ARG  19 -30.761  -3.782  -3.054
  143    HG2  ARG  19           HG2      ARG  19 -29.480  -1.926  -3.581
  144    HG3  ARG  19           HG1      ARG  19 -31.085  -1.204  -3.530
  145    HD2  ARG  19           HD2      ARG  19 -29.784   0.248  -2.214
  146    HD3  ARG  19           HD1      ARG  19 -30.579  -0.779  -1.023
  147    HE   ARG  19           HE       ARG  19 -28.144  -1.993  -1.688
  148   HH11  ARG  19          HH21      ARG  19 -29.361   0.893  -0.219
  149   HH12  ARG  19          HH22      ARG  19 -27.980   1.119   0.803
  150   HH21  ARG  19          HH11      ARG  19 -26.331  -1.702  -0.356
  151   HH22  ARG  19          HH12      ARG  19 -26.265  -0.349   0.725
  152    H    ARG  20           HN       ARG  20 -32.490  -1.952  -4.402
  153    HA   ARG  20           HA       ARG  20 -33.784  -4.166  -5.583
  154    HB2  ARG  20           HB2      ARG  20 -35.957  -3.259  -6.040
  155    HB3  ARG  20           HB1      ARG  20 -35.702  -3.173  -4.297
  156    HG2  ARG  20           HG2      ARG  20 -36.283  -0.964  -4.500
  157    HG3  ARG  20           HG1      ARG  20 -34.658  -0.738  -5.145
  158    HD2  ARG  20           HD2      ARG  20 -35.704  -1.367  -7.437
  159    HD3  ARG  20           HD1      ARG  20 -37.251  -1.062  -6.651
  160    HE   ARG  20           HE       ARG  20 -35.267   0.927  -7.385
  161   HH11  ARG  20          HH21      ARG  20 -37.981   0.097  -5.406
  162   HH12  ARG  20          HH22      ARG  20 -38.466   1.739  -5.144
  163   HH21  ARG  20          HH11      ARG  20 -35.894   3.082  -7.041
  164   HH22  ARG  20          HH12      ARG  20 -37.285   3.429  -6.069
  165    H    TYR  21           HN       TYR  21 -33.914  -3.913  -7.875
  166    HA   TYR  21           HA       TYR  21 -32.773  -1.393  -8.949
  167    HB2  TYR  21           HB2      TYR  21 -31.069  -3.229  -8.897
  168    HB3  TYR  21           HB1      TYR  21 -32.133  -4.181  -9.936
  169    HD1  TYR  21           HD1      TYR  21 -30.700  -0.711  -9.767
  170    HD2  TYR  21           HD2      TYR  21 -31.774  -4.053 -12.245
  171    HE1  TYR  21           HE1      TYR  21 -29.813   0.476 -11.754
  172    HE2  TYR  21           HE2      TYR  21 -30.879  -2.868 -14.227
  173    HH   TYR  21           HH       TYR  21 -28.970  -0.042 -13.980
  174    H    ASP  22           HN       ASP  22 -33.916  -0.551 -10.589
  175    HA   ASP  22           HA       ASP  22 -36.021  -2.236 -11.843
  176    HB2  ASP  22           HB2      ASP  22 -36.074   0.688 -11.078
  177    HB3  ASP  22           HB1      ASP  22 -37.277  -0.072 -12.118
  178    H    CYS  23           HN       CYS  23 -35.798  -2.533 -13.955
  179    HA   CYS  23           HA       CYS  23 -34.805  -0.395 -15.667
  180    HB2  CYS  23           HB2      CYS  23 -32.804  -1.754 -14.868
  181    HB3  CYS  23           HB1      CYS  23 -33.477  -3.101 -15.789
  182    HG   CYS  23           HG       CYS  23 -32.644  -2.049 -17.866
  183    H    ASP  24           HN       ASP  24 -35.571  -0.532 -17.738
  184    HA   ASP  24           HA       ASP  24 -37.246  -2.870 -18.404
  185    HB2  ASP  24           HB2      ASP  24 -38.846  -1.371 -19.443
  186    HB3  ASP  24           HB1      ASP  24 -38.611  -0.901 -17.763
  187    H    CYS  25           HN       CYS  25 -34.426  -2.062 -19.118
  188    HA   CYS  25           HA       CYS  25 -34.715  -2.460 -22.016
  189    HB2  CYS  25           HB2      CYS  25 -33.426  -0.088 -20.698
  190    HB3  CYS  25           HB1      CYS  25 -32.777  -0.690 -22.223
  191    HG   CYS  25           HG       CYS  25 -35.654   0.456 -21.854
  192    H    ASP  26           HN       ASP  26 -33.077  -3.684 -22.901
  193    HA   ASP  26           HA       ASP  26 -31.679  -5.538 -21.568
  194    HB2  ASP  26           HB2      ASP  26 -30.073  -5.608 -23.411
  195    HB3  ASP  26           HB1      ASP  26 -31.707  -5.356 -24.020
  196    H    CYS  27           HN       CYS  27 -29.468  -5.801 -20.857
  197    HA   CYS  27           HA       CYS  27 -27.867  -3.441 -20.339
  198    HB2  CYS  27           HB2      CYS  27 -29.401  -4.844 -18.172
  199    HB3  CYS  27           HB1      CYS  27 -27.838  -4.111 -17.807
  200    HG   CYS  27           HG       CYS  27 -28.844  -1.848 -18.000
  201    H    ALA  28           HN       ALA  28 -25.795  -4.012 -19.291
  202    HA   ALA  28           HA       ALA  28 -24.886  -6.641 -20.229
  203    HB1  ALA  28           HB1      ALA  28 -22.629  -5.730 -19.830
  204    HB2  ALA  28           HB2      ALA  28 -23.344  -4.255 -19.180
  205    HB3  ALA  28           HB3      ALA  28 -23.577  -4.674 -20.876
  206    H    ASP  29           HN       ASP  29 -24.516  -4.628 -17.314
  207    HA   ASP  29           HA       ASP  29 -24.853  -6.972 -15.604
  208    HB2  ASP  29           HB2      ASP  29 -22.445  -6.988 -16.156
  209    HB3  ASP  29           HB1      ASP  29 -22.305  -5.342 -15.536
  210    H    PHE  30           HN       PHE  30 -26.357  -6.259 -14.253
  211    HA   PHE  30           HA       PHE  30 -26.233  -3.484 -13.243
  212    HB2  PHE  30           HB2      PHE  30 -28.524  -3.536 -13.000
  213    HB3  PHE  30           HB1      PHE  30 -28.366  -4.719 -14.297
  214    HD1  PHE  30           HD2      PHE  30 -28.307  -7.176 -13.706
  215    HD2  PHE  30           HD1      PHE  30 -29.338  -4.151 -10.857
  216    HE1  PHE  30           HE2      PHE  30 -29.349  -8.903 -12.259
  217    HE2  PHE  30           HE1      PHE  30 -30.375  -5.864  -9.403
  218    HZ   PHE  30           HZ       PHE  30 -30.386  -8.244 -10.105
  219    H    HIS  31           HN       HIS  31 -24.836  -6.184 -12.415
  220    HA   HIS  31           HA       HIS  31 -25.644  -6.779  -9.786
  221    HB2  HIS  31           HB2      HIS  31 -24.162  -8.263 -11.033
  222    HB3  HIS  31           HB1      HIS  31 -22.902  -7.022 -11.045
  223    HD2  HIS  31           HD2      HIS  31 -21.354  -6.938  -8.724
  224    HE1  HIS  31           HE1      HIS  31 -23.680  -9.593  -6.408
  225    HE2  HIS  31           HE2      HIS  31 -21.527  -8.250  -6.473
  226    H    THR  32           HN       THR  32 -23.779  -4.207 -11.122
  227    HA   THR  32           HA       THR  32 -22.410  -3.391  -8.787
  228    HB   THR  32           HB       THR  32 -22.229  -1.176  -9.893
  229    HG1  THR  32           HG1      THR  32 -23.925  -0.758 -11.067
  230   HG21  THR  32          HG21      THR  32 -21.838  -3.507 -11.789
  231   HG22  THR  32          HG22      THR  32 -20.729  -3.076 -10.488
  232   HG23  THR  32          HG23      THR  32 -20.985  -1.965 -11.834
  233    H    TYR  33           HN       TYR  33 -25.693  -2.892  -9.889
  234    HA   TYR  33           HA       TYR  33 -26.280  -0.906  -7.839
  235    HB2  TYR  33           HB2      TYR  33 -28.040  -2.300  -9.858
  236    HB3  TYR  33           HB1      TYR  33 -28.560  -1.003  -8.788
  237    HD1  TYR  33           HD2      TYR  33 -27.173   1.210  -8.858
  238    HD2  TYR  33           HD1      TYR  33 -27.086  -1.772 -11.943
  239    HE1  TYR  33           HE2      TYR  33 -26.285   2.888 -10.454
  240    HE2  TYR  33           HE1      TYR  33 -26.195  -0.098 -13.541
  241    HH   TYR  33           HH       TYR  33 -26.046   3.295 -12.750
  242    H    LEU  34           HN       LEU  34 -26.209  -4.284  -8.059
  243    HA   LEU  34           HA       LEU  34 -27.627  -4.503  -5.508
  244    HB2  LEU  34           HB2      LEU  34 -29.206  -4.957  -7.494
  245    HB3  LEU  34           HB1      LEU  34 -28.265  -6.422  -7.746
  246    HG   LEU  34           HG       LEU  34 -28.727  -7.065  -5.382
  247   HD11  LEU  34          HD11      LEU  34 -29.273  -5.268  -4.073
  248   HD12  LEU  34          HD12      LEU  34 -30.915  -5.688  -4.547
  249   HD13  LEU  34          HD13      LEU  34 -30.055  -4.401  -5.392
  250   HD21  LEU  34          HD21      LEU  34 -31.029  -6.570  -7.256
  251   HD22  LEU  34          HD22      LEU  34 -31.235  -7.467  -5.755
  252   HD23  LEU  34          HD23      LEU  34 -30.146  -8.076  -7.004
  253    H    SER  35           HN       SER  35 -26.790  -6.041  -4.162
  254    HA   SER  35           HA       SER  35 -24.350  -7.399  -5.123
  255    HB2  SER  35           HB2      SER  35 -25.350  -6.665  -2.377
  256    HB3  SER  35           HB1      SER  35 -23.967  -7.725  -2.637
  257    HG   SER  35           HG       SER  35 -24.251  -5.123  -3.739
  258    H    ARG  36           HN       ARG  36 -27.590  -8.048  -4.487
  259    HA   ARG  36           HA       ARG  36 -27.125 -10.902  -4.696
  260    HB2  ARG  36           HB2      ARG  36 -27.012 -10.268  -2.194
  261    HB3  ARG  36           HB1      ARG  36 -28.738  -9.949  -2.338
  262    HG2  ARG  36           HG2      ARG  36 -29.033 -12.263  -3.257
  263    HG3  ARG  36           HG1      ARG  36 -27.334 -12.570  -2.889
  264    HD2  ARG  36           HD2      ARG  36 -29.435 -11.727  -0.873
  265    HD3  ARG  36           HD1      ARG  36 -28.817 -13.364  -1.072
  266    HE   ARG  36           HE       ARG  36 -27.449 -11.135   0.193
  267   HH11  ARG  36          HH21      ARG  36 -27.205 -14.230  -1.335
  268   HH12  ARG  36          HH22      ARG  36 -25.694 -14.632  -0.591
  269   HH21  ARG  36          HH11      ARG  36 -25.469 -11.655   1.172
  270   HH22  ARG  36          HH12      ARG  36 -24.711 -13.174   0.830
  271    H    CYS  37           HN       CYS  37 -28.904 -11.994  -5.491
  272    HA   CYS  37           HA       CYS  37 -31.192 -10.275  -6.279
  273    HB2  CYS  37           HB2      CYS  37 -30.491 -12.882  -7.588
  274    HB3  CYS  37           HB1      CYS  37 -31.324 -11.479  -8.261
  275    HG   CYS  37           HG       CYS  37 -29.125 -10.396  -8.765
  276    H    ASN  38           HN       ASN  38 -32.697 -10.544  -4.775
  277    HA   ASN  38           HA       ASN  38 -33.686 -13.278  -4.247
  278    HB2  ASN  38           HB2      ASN  38 -33.525 -10.964  -2.316
  279    HB3  ASN  38           HB1      ASN  38 -34.330 -12.488  -1.992
  280   HD21  ASN  38          HD21      ASN  38 -32.310 -11.861  -0.245
  281   HD22  ASN  38          HD22      ASN  38 -30.927 -12.800  -0.561
  282    H    SER  39           HN       SER  39 -35.946 -13.332  -3.857
  283    HA   SER  39           HA       SER  39 -37.994 -12.965  -4.808
  284    HB2  SER  39           HB2      SER  39 -39.059 -10.917  -3.750
  285    HB3  SER  39           HB1      SER  39 -38.362 -12.095  -2.670
  286    HG   SER  39           HG       SER  39 -36.472 -10.791  -2.610
  287    H    ILE  40           HN       ILE  40 -38.916 -12.379  -6.588
  288    HA   ILE  40           HA       ILE  40 -38.145  -9.851  -7.929
  289    HB   ILE  40           HB       ILE  40 -37.808 -12.635  -9.017
  290   HG12  ILE  40          HG12      ILE  40 -35.954 -10.287  -9.404
  291   HG13  ILE  40          HG11      ILE  40 -35.932 -11.159  -7.878
  292   HG21  ILE  40          HG21      ILE  40 -38.286 -10.079 -10.540
  293   HG22  ILE  40          HG22      ILE  40 -39.010 -11.668 -10.795
  294   HG23  ILE  40          HG23      ILE  40 -37.328 -11.384 -11.243
  295   HD11  ILE  40          HD11      ILE  40 -35.240 -12.156 -10.634
  296   HD12  ILE  40          HD12      ILE  40 -35.692 -13.294  -9.364
  297   HD13  ILE  40          HD13      ILE  40 -34.289 -12.254  -9.157
  298    H    LYS  41           HN       LYS  41 -39.692  -8.966  -9.226
  299    HA   LYS  41           HA       LYS  41 -42.045 -10.527  -9.985
  300    HB2  LYS  41           HB2      LYS  41 -43.504  -8.594  -9.025
  301    HB3  LYS  41           HB1      LYS  41 -42.949  -9.875  -7.949
  302    HG2  LYS  41           HG2      LYS  41 -41.290  -8.541  -7.004
  303    HG3  LYS  41           HG1      LYS  41 -41.304  -7.395  -8.320
  304    HD2  LYS  41           HD2      LYS  41 -42.430  -6.647  -6.135
  305    HD3  LYS  41           HD1      LYS  41 -43.353  -6.432  -7.618
  306    HE2  LYS  41           HE2      LYS  41 -44.790  -8.217  -7.137
  307    HE3  LYS  41           HE1      LYS  41 -43.652  -8.970  -6.022
  308    HZ1  LYS  41           HZ1      LYS  41 -44.033  -7.259  -4.435
  309    HZ2  LYS  41           HZ2      LYS  41 -45.550  -7.844  -4.930
  310    HZ3  LYS  41           HZ3      LYS  41 -44.973  -6.361  -5.524
  311    H    VAL  42           HN       VAL  42 -41.828 -10.124 -12.143
  312    HA   VAL  42           HA       VAL  42 -40.961  -7.680 -13.193
  313    HB   VAL  42           HB       VAL  42 -42.328 -10.141 -14.236
  314   HG11  VAL  42          HG11      VAL  42 -43.378  -8.671 -15.691
  315   HG12  VAL  42          HG12      VAL  42 -41.897  -8.983 -16.563
  316   HG13  VAL  42          HG13      VAL  42 -42.083  -7.510 -15.653
  317   HG21  VAL  42          HG21      VAL  42 -40.258 -10.455 -15.421
  318   HG22  VAL  42          HG22      VAL  42 -39.847 -10.012 -13.765
  319   HG23  VAL  42          HG23      VAL  42 -39.730  -8.817 -15.053
  320    H    GLU  43           HN       GLU  43 -42.073  -6.071 -14.213
  321    HA   GLU  43           HA       GLU  43 -44.959  -5.840 -13.606
  322    HB2  GLU  43           HB2      GLU  43 -42.783  -3.745 -13.511
  323    HB3  GLU  43           HB1      GLU  43 -44.500  -3.371 -13.457
  324    HG2  GLU  43           HG2      GLU  43 -43.089  -5.205 -11.503
  325    HG3  GLU  43           HG1      GLU  43 -43.465  -3.513 -11.184
  326    H    GLY  44           HN       GLY  44 -44.310  -7.044 -15.930
  327    HA2  GLY  44           HA2      GLY  44 -45.378  -5.241 -17.888
  328    HA3  GLY  44           HA1      GLY  44 -43.670  -5.554 -18.163
  329    H    GLY  45           HN       GLY  45 -43.002  -7.564 -18.903
  330    HA2  GLY  45           HA2      GLY  45 -45.066  -9.617 -19.423
  331    HA3  GLY  45           HA1      GLY  45 -44.098  -9.000 -20.758
  332    H    THR  46           HN       THR  46 -42.925 -10.836 -21.264
  333    HA   THR  46           HA       THR  46 -41.693 -12.427 -19.196
  334    HB   THR  46           HB       THR  46 -41.399 -12.518 -22.204
  335    HG1  THR  46           HG1      THR  46 -43.127 -13.663 -20.333
  336   HG21  THR  46          HG21      THR  46 -39.508 -13.648 -21.371
  337   HG22  THR  46          HG22      THR  46 -40.692 -14.935 -21.578
  338   HG23  THR  46          HG23      THR  46 -40.384 -14.273 -19.974
  339    H    TRP  47           HN       TRP  47 -39.327 -12.961 -19.350
  340    HA   TRP  47           HA       TRP  47 -37.595 -10.863 -20.376
  341    HB2  TRP  47           HB2      TRP  47 -38.249 -11.178 -17.488
  342    HB3  TRP  47           HB1      TRP  47 -36.556 -10.888 -17.876
  343    HD1  TRP  47           HD1      TRP  47 -39.794  -9.209 -17.440
  344    HE1  TRP  47           HE1      TRP  47 -39.567  -6.704 -17.984
  345    HE3  TRP  47           HE3      TRP  47 -35.264  -9.211 -19.771
  346    HZ2  TRP  47           HZ2      TRP  47 -37.764  -4.948 -19.330
  347    HZ3  TRP  47           HZ3      TRP  47 -34.318  -7.108 -20.680
  348    HH2  TRP  47           HH2      TRP  47 -35.564  -4.981 -20.466
  349    H    ALA  48           HN       ALA  48 -35.391 -11.400 -20.269
  350    HA   ALA  48           HA       ALA  48 -34.821 -14.279 -19.854
  351    HB1  ALA  48           HB1      ALA  48 -34.550 -13.869 -22.172
  352    HB2  ALA  48           HB2      ALA  48 -32.919 -13.776 -21.516
  353    HB3  ALA  48           HB3      ALA  48 -33.801 -12.295 -21.896
  354    H    VAL  49           HN       VAL  49 -33.541 -14.606 -18.158
  355    HA   VAL  49           HA       VAL  49 -31.673 -12.438 -17.332
  356    HB   VAL  49           HB       VAL  49 -31.913 -13.514 -15.027
  357   HG11  VAL  49          HG11      VAL  49 -33.934 -12.255 -14.536
  358   HG12  VAL  49          HG12      VAL  49 -34.417 -12.300 -16.231
  359   HG13  VAL  49          HG13      VAL  49 -33.002 -11.368 -15.741
  360   HG21  VAL  49          HG21      VAL  49 -32.964 -15.613 -15.934
  361   HG22  VAL  49          HG22      VAL  49 -34.407 -14.674 -16.300
  362   HG23  VAL  49          HG23      VAL  49 -33.881 -14.869 -14.626
  363    H    TYR  50           HN       TYR  50 -29.584 -12.918 -17.188
  364    HA   TYR  50           HA       TYR  50 -28.753 -15.725 -17.632
  365    HB2  TYR  50           HB2      TYR  50 -27.254 -13.113 -17.996
  366    HB3  TYR  50           HB1      TYR  50 -26.589 -14.717 -18.303
  367    HD1  TYR  50           HD1      TYR  50 -29.198 -12.292 -19.355
  368    HD2  TYR  50           HD2      TYR  50 -27.122 -15.933 -20.296
  369    HE1  TYR  50           HE1      TYR  50 -30.194 -12.274 -21.625
  370    HE2  TYR  50           HE2      TYR  50 -28.119 -15.912 -22.567
  371    HH   TYR  50           HH       TYR  50 -29.701 -14.968 -23.870
  372    H    GLU  51           HN       GLU  51 -28.351 -16.747 -15.771
  373    HA   GLU  51           HA       GLU  51 -28.052 -15.932 -13.244
  374    HB2  GLU  51           HB2      GLU  51 -27.870 -18.296 -13.994
  375    HB3  GLU  51           HB1      GLU  51 -26.217 -17.973 -14.520
  376    HG2  GLU  51           HG2      GLU  51 -25.647 -17.301 -12.173
  377    HG3  GLU  51           HG1      GLU  51 -27.276 -17.766 -11.683
  378    H    ARG  52           HN       ARG  52 -25.553 -15.674 -15.715
  379    HA   ARG  52           HA       ARG  52 -23.818 -14.241 -13.790
  380    HB2  ARG  52           HB2      ARG  52 -23.021 -15.668 -16.337
  381    HB3  ARG  52           HB1      ARG  52 -21.933 -14.963 -15.141
  382    HG2  ARG  52           HG2      ARG  52 -22.969 -16.518 -13.430
  383    HG3  ARG  52           HG1      ARG  52 -23.793 -17.317 -14.766
  384    HD2  ARG  52           HD2      ARG  52 -20.898 -17.331 -14.051
  385    HD3  ARG  52           HD1      ARG  52 -21.890 -18.625 -14.706
  386    HE   ARG  52           HE       ARG  52 -21.743 -16.878 -16.781
  387   HH11  ARG  52          HH21      ARG  52 -19.416 -18.295 -14.647
  388   HH12  ARG  52          HH22      ARG  52 -18.133 -18.277 -15.809
  389   HH21  ARG  52          HH11      ARG  52 -20.054 -16.851 -18.312
  390   HH22  ARG  52          HH12      ARG  52 -18.494 -17.463 -17.881
  391    HA   PRO  53           HA       PRO  53 -24.324 -10.634 -16.341
  392    HB2  PRO  53           HB2      PRO  53 -21.965  -9.319 -15.812
  393    HB3  PRO  53           HB1      PRO  53 -23.302  -9.400 -14.653
  394    HG2  PRO  53           HG2      PRO  53 -20.811 -11.038 -14.777
  395    HG3  PRO  53           HG1      PRO  53 -21.623 -10.327 -13.368
  396    HD2  PRO  53           HD2      PRO  53 -21.885 -12.956 -14.005
  397    HD3  PRO  53           HD1      PRO  53 -23.203 -12.039 -13.243
  398    H    ASN  54           HN       ASN  54 -23.512  -9.591 -18.218
  399    HA   ASN  54           HA       ASN  54 -22.250  -9.341 -20.139
  400    HB2  ASN  54           HB2      ASN  54 -20.664 -11.830 -19.539
  401    HB3  ASN  54           HB1      ASN  54 -20.202 -10.414 -20.472
  402   HD21  ASN  54          HD21      ASN  54 -19.721 -11.866 -17.480
  403   HD22  ASN  54          HD22      ASN  54 -19.255 -10.493 -16.599
  404    H    PHE  55           HN       PHE  55 -24.174 -11.875 -19.171
  405    HA   PHE  55           HA       PHE  55 -25.726 -13.033 -20.420
  406    HB2  PHE  55           HB2      PHE  55 -24.113 -12.608 -22.929
  407    HB3  PHE  55           HB1      PHE  55 -25.823 -12.972 -22.767
  408    HD1  PHE  55           HD2      PHE  55 -27.009 -11.191 -20.982
  409    HD2  PHE  55           HD1      PHE  55 -23.717 -10.396 -23.630
  410    HE1  PHE  55           HE2      PHE  55 -27.554  -8.778 -20.934
  411    HE2  PHE  55           HE1      PHE  55 -24.266  -7.979 -23.578
  412    HZ   PHE  55           HZ       PHE  55 -26.190  -7.170 -22.233
  413    H    ALA  56           HN       ALA  56 -24.307 -14.449 -18.945
  414    HA   ALA  56           HA       ALA  56 -23.513 -16.775 -20.557
  415    HB1  ALA  56           HB1      ALA  56 -21.436 -17.098 -19.410
  416    HB2  ALA  56           HB2      ALA  56 -21.752 -15.740 -18.329
  417    HB3  ALA  56           HB3      ALA  56 -21.433 -15.451 -20.040
  418    H    GLY  57           HN       GLY  57 -23.172 -18.713 -19.105
  419    HA2  GLY  57           HA2      GLY  57 -23.720 -20.006 -17.222
  420    HA3  GLY  57           HA1      GLY  57 -24.533 -18.611 -16.521
  421    H    TYR  58           HN       TYR  58 -26.303 -20.025 -15.986
  422    HA   TYR  58           HA       TYR  58 -27.775 -21.399 -18.012
  423    HB2  TYR  58           HB2      TYR  58 -28.819 -20.491 -15.325
  424    HB3  TYR  58           HB1      TYR  58 -29.417 -21.823 -16.312
  425    HD1  TYR  58           HD2      TYR  58 -27.210 -23.406 -17.111
  426    HD2  TYR  58           HD1      TYR  58 -27.698 -21.248 -13.424
  427    HE1  TYR  58           HE2      TYR  58 -25.602 -24.925 -16.008
  428    HE2  TYR  58           HE1      TYR  58 -26.085 -22.772 -12.325
  429    HH   TYR  58           HH       TYR  58 -24.602 -25.480 -14.111
  430    H    MET  59           HN       MET  59 -29.585 -20.805 -19.122
  431    HA   MET  59           HA       MET  59 -30.220 -17.910 -19.100
  432    HB2  MET  59           HB2      MET  59 -30.595 -20.033 -21.230
  433    HB3  MET  59           HB1      MET  59 -31.098 -18.347 -21.382
  434    HG2  MET  59           HG2      MET  59 -28.783 -17.601 -21.087
  435    HG3  MET  59           HG1      MET  59 -28.257 -19.269 -20.856
  436    HE1  MET  59           HE1      MET  59 -26.569 -19.464 -22.588
  437    HE2  MET  59           HE2      MET  59 -26.691 -17.734 -22.897
  438    HE3  MET  59           HE3      MET  59 -26.682 -18.866 -24.247
  439    H    TYR  60           HN       TYR  60 -31.709 -18.039 -17.348
  440    HA   TYR  60           HA       TYR  60 -34.104 -19.702 -17.716
  441    HB2  TYR  60           HB2      TYR  60 -32.932 -19.419 -15.460
  442    HB3  TYR  60           HB1      TYR  60 -33.569 -17.782 -15.444
  443    HD1  TYR  60           HD2      TYR  60 -35.993 -17.371 -15.295
  444    HD2  TYR  60           HD1      TYR  60 -34.383 -21.355 -15.247
  445    HE1  TYR  60           HE2      TYR  60 -38.162 -18.245 -14.467
  446    HE2  TYR  60           HE1      TYR  60 -36.553 -22.222 -14.419
  447    HH   TYR  60           HH       TYR  60 -39.004 -20.199 -13.220
  448    H    ILE  61           HN       ILE  61 -36.043 -18.912 -18.292
  449    HA   ILE  61           HA       ILE  61 -36.170 -16.055 -19.068
  450    HB   ILE  61           HB       ILE  61 -37.839 -18.438 -19.916
  451   HG12  ILE  61          HG12      ILE  61 -36.787 -17.895 -22.147
  452   HG13  ILE  61          HG11      ILE  61 -35.727 -16.764 -21.309
  453   HG21  ILE  61          HG21      ILE  61 -38.709 -16.740 -21.611
  454   HG22  ILE  61          HG22      ILE  61 -37.994 -15.498 -20.589
  455   HG23  ILE  61          HG23      ILE  61 -39.272 -16.533 -19.953
  456   HD11  ILE  61          HD11      ILE  61 -35.032 -19.329 -21.759
  457   HD12  ILE  61          HD12      ILE  61 -35.844 -19.544 -20.210
  458   HD13  ILE  61          HD13      ILE  61 -34.478 -18.437 -20.347
  459    H    LEU  62           HN       LEU  62 -36.700 -15.192 -17.022
  460    HA   LEU  62           HA       LEU  62 -38.771 -16.217 -15.386
  461    HB2  LEU  62           HB2      LEU  62 -36.871 -14.045 -15.321
  462    HB3  LEU  62           HB1      LEU  62 -38.451 -13.435 -14.840
  463    HG   LEU  62           HG       LEU  62 -37.266 -15.968 -13.646
  464   HD11  LEU  62          HD11      LEU  62 -36.909 -13.072 -12.852
  465   HD12  LEU  62          HD12      LEU  62 -35.674 -14.317 -13.047
  466   HD13  LEU  62          HD13      LEU  62 -36.778 -14.377 -11.671
  467   HD21  LEU  62          HD21      LEU  62 -39.827 -15.085 -13.549
  468   HD22  LEU  62          HD22      LEU  62 -39.165 -14.159 -12.201
  469   HD23  LEU  62          HD23      LEU  62 -39.052 -15.917 -12.204
  470    HA   PRO  63           HA       PRO  63 -41.939 -14.400 -18.077
  471    HB2  PRO  63           HB2      PRO  63 -44.045 -15.908 -17.320
  472    HB3  PRO  63           HB1      PRO  63 -42.739 -16.558 -18.335
  473    HG2  PRO  63           HG2      PRO  63 -43.227 -16.928 -15.416
  474    HG3  PRO  63           HG1      PRO  63 -42.633 -18.090 -16.616
  475    HD2  PRO  63           HD2      PRO  63 -41.006 -16.651 -14.835
  476    HD3  PRO  63           HD1      PRO  63 -40.454 -17.442 -16.316
  477    H    GLN  64           HN       GLN  64 -43.945 -13.185 -17.766
  478    HA   GLN  64           HA       GLN  64 -43.895 -11.349 -15.681
  479    HB2  GLN  64           HB2      GLN  64 -45.269 -11.435 -17.942
  480    HB3  GLN  64           HB1      GLN  64 -46.527 -12.127 -16.922
  481    HG2  GLN  64           HG2      GLN  64 -45.212  -9.422 -16.663
  482    HG3  GLN  64           HG1      GLN  64 -46.909  -9.771 -16.935
  483   HE21  GLN  64          HE21      GLN  64 -44.634  -9.078 -14.482
  484   HE22  GLN  64          HE22      GLN  64 -45.583  -9.542 -13.156
  485    H    GLY  65           HN       GLY  65 -44.194 -11.651 -13.560
  486    HA2  GLY  65           HA2      GLY  65 -46.459 -12.652 -12.342
  487    HA3  GLY  65           HA1      GLY  65 -45.365 -14.024 -12.474
  488    H    GLU  66           HN       GLU  66 -45.883 -13.536  -9.996
  489    HA   GLU  66           HA       GLU  66 -43.882 -11.674  -8.905
  490    HB2  GLU  66           HB2      GLU  66 -46.238 -13.068  -7.631
  491    HB3  GLU  66           HB1      GLU  66 -45.078 -12.067  -6.754
  492    HG2  GLU  66           HG2      GLU  66 -45.618 -10.147  -8.177
  493    HG3  GLU  66           HG1      GLU  66 -46.732 -11.142  -9.116
  494    H    TYR  67           HN       TYR  67 -42.449 -12.357  -7.276
  495    HA   TYR  67           HA       TYR  67 -42.135 -15.224  -6.808
  496    HB2  TYR  67           HB2      TYR  67 -39.845 -13.588  -7.916
  497    HB3  TYR  67           HB1      TYR  67 -39.816 -15.269  -7.481
  498    HD1  TYR  67           HD1      TYR  67 -41.637 -12.911  -9.796
  499    HD2  TYR  67           HD2      TYR  67 -40.334 -16.932  -9.066
  500    HE1  TYR  67           HE1      TYR  67 -42.433 -13.565 -12.023
  501    HE2  TYR  67           HE2      TYR  67 -41.148 -17.590 -11.302
  502    HH   TYR  67           HH       TYR  67 -42.724 -15.216 -13.445
  503    HA   PRO  68           HA       PRO  68 -41.664 -12.590  -3.023
  504    HB2  PRO  68           HB2      PRO  68 -42.379 -15.214  -1.799
  505    HB3  PRO  68           HB1      PRO  68 -43.045 -13.599  -1.485
  506    HG2  PRO  68           HG2      PRO  68 -44.416 -15.423  -2.866
  507    HG3  PRO  68           HG1      PRO  68 -44.485 -13.699  -3.287
  508    HD2  PRO  68           HD2      PRO  68 -42.990 -15.915  -4.656
  509    HD3  PRO  68           HD1      PRO  68 -43.814 -14.505  -5.360
  510    H    GLU  69           HN       GLU  69 -40.147 -15.505  -4.082
  511    HA   GLU  69           HA       GLU  69 -37.781 -14.850  -2.512
  512    HB2  GLU  69           HB2      GLU  69 -39.207 -17.522  -2.318
  513    HB3  GLU  69           HB1      GLU  69 -37.569 -17.222  -1.741
  514    HG2  GLU  69           HG2      GLU  69 -38.458 -15.426  -0.260
  515    HG3  GLU  69           HG1      GLU  69 -40.087 -15.834  -0.786
  516    H    TYR  70           HN       TYR  70 -35.920 -16.135  -3.262
  517    HA   TYR  70           HA       TYR  70 -35.787 -16.208  -6.074
  518    HB2  TYR  70           HB2      TYR  70 -33.556 -17.274  -5.710
  519    HB3  TYR  70           HB1      TYR  70 -33.786 -15.786  -4.794
  520    HD1  TYR  70           HD2      TYR  70 -34.533 -15.967  -2.342
  521    HD2  TYR  70           HD1      TYR  70 -33.057 -19.310  -4.606
  522    HE1  TYR  70           HE2      TYR  70 -34.093 -17.193  -0.239
  523    HE2  TYR  70           HE1      TYR  70 -32.608 -20.535  -2.498
  524    HH   TYR  70           HH       TYR  70 -32.919 -18.979   0.633
  525    H    GLN  71           HN       GLN  71 -35.836 -18.883  -3.702
  526    HA   GLN  71           HA       GLN  71 -35.654 -21.090  -5.290
  527    HB2  GLN  71           HB2      GLN  71 -37.669 -20.755  -3.063
  528    HB3  GLN  71           HB1      GLN  71 -37.032 -22.283  -3.680
  529    HG2  GLN  71           HG2      GLN  71 -34.716 -21.421  -3.082
  530    HG3  GLN  71           HG1      GLN  71 -35.526 -20.103  -2.231
  531   HE21  GLN  71          HE21      GLN  71 -37.804 -22.022  -1.514
  532   HE22  GLN  71          HE22      GLN  71 -37.180 -22.940  -0.223
  533    H    ARG  72           HN       ARG  72 -38.001 -18.711  -5.631
  534    HA   ARG  72           HA       ARG  72 -40.167 -20.320  -6.590
  535    HB2  ARG  72           HB2      ARG  72 -39.549 -17.403  -6.977
  536    HB3  ARG  72           HB1      ARG  72 -41.110 -18.160  -7.266
  537    HG2  ARG  72           HG2      ARG  72 -39.756 -18.302  -4.568
  538    HG3  ARG  72           HG1      ARG  72 -40.750 -16.920  -5.017
  539    HD2  ARG  72           HD2      ARG  72 -41.640 -19.814  -4.911
  540    HD3  ARG  72           HD1      ARG  72 -42.119 -18.527  -3.815
  541    HE   ARG  72           HE       ARG  72 -42.815 -17.630  -6.332
  542   HH11  ARG  72          HH21      ARG  72 -43.474 -20.376  -4.334
  543   HH12  ARG  72          HH22      ARG  72 -45.065 -20.629  -4.972
  544   HH21  ARG  72          HH11      ARG  72 -44.894 -17.954  -7.174
  545   HH22  ARG  72          HH12      ARG  72 -45.870 -19.257  -6.581
  546    H    TRP  73           HN       TRP  73 -37.156 -19.587  -7.895
  547    HA   TRP  73           HA       TRP  73 -38.161 -19.888 -10.685
  548    HB2  TRP  73           HB2      TRP  73 -36.096 -18.740 -11.405
  549    HB3  TRP  73           HB1      TRP  73 -37.118 -17.721 -10.398
  550    HD1  TRP  73           HD1      TRP  73 -35.281 -20.193  -8.311
  551    HE1  TRP  73           HE1      TRP  73 -33.333 -19.107  -7.124
  552    HE3  TRP  73           HE3      TRP  73 -35.102 -15.802 -10.869
  553    HZ2  TRP  73           HZ2      TRP  73 -31.864 -16.689  -7.225
  554    HZ3  TRP  73           HZ3      TRP  73 -33.377 -14.119 -10.295
  555    HH2  TRP  73           HH2      TRP  73 -31.755 -14.569  -8.475
  556    H    MET  74           HN       MET  74 -37.487 -21.952  -8.646
  557    HA   MET  74           HA       MET  74 -36.685 -24.098  -8.791
  558    HB2  MET  74           HB2      MET  74 -35.021 -23.202 -11.155
  559    HB3  MET  74           HB1      MET  74 -35.221 -24.844 -10.585
  560    HG2  MET  74           HG2      MET  74 -37.534 -23.103 -11.448
  561    HG3  MET  74           HG1      MET  74 -36.703 -24.225 -12.527
  562    HE1  MET  74           HE1      MET  74 -40.168 -25.851 -11.672
  563    HE2  MET  74           HE2      MET  74 -39.167 -25.082 -12.902
  564    HE3  MET  74           HE3      MET  74 -39.852 -24.113 -11.600
  565    H    GLY  75           HN       GLY  75 -35.533 -21.737  -7.400
  566    HA2  GLY  75           HA2      GLY  75 -33.567 -21.066  -6.302
  567    HA3  GLY  75           HA1      GLY  75 -33.679 -22.739  -5.759
  568    H    LEU  76           HN       LEU  76 -32.799 -21.268  -8.895
  569    HA   LEU  76           HA       LEU  76 -30.683 -23.144  -9.337
  570    HB2  LEU  76           HB2      LEU  76 -31.151 -20.509 -10.733
  571    HB3  LEU  76           HB1      LEU  76 -30.290 -21.913 -11.366
  572    HG   LEU  76           HG       LEU  76 -33.219 -21.911 -10.605
  573   HD11  LEU  76          HD11      LEU  76 -33.577 -21.977 -13.098
  574   HD12  LEU  76          HD12      LEU  76 -31.865 -21.601 -13.295
  575   HD13  LEU  76          HD13      LEU  76 -32.935 -20.446 -12.503
  576   HD21  LEU  76          HD21      LEU  76 -31.348 -23.918 -11.877
  577   HD22  LEU  76          HD22      LEU  76 -33.085 -24.010 -12.147
  578   HD23  LEU  76          HD23      LEU  76 -32.439 -24.148 -10.513
  579    H    ASN  77           HN       ASN  77 -30.697 -21.019  -7.047
  580    HA   ASN  77           HA       ASN  77 -28.703 -20.512  -5.815
  581    HB2  ASN  77           HB2      ASN  77 -27.192 -21.185  -7.717
  582    HB3  ASN  77           HB1      ASN  77 -27.500 -19.599  -8.438
  583   HD21  ASN  77          HD21      ASN  77 -25.260 -18.948  -8.182
  584   HD22  ASN  77          HD22      ASN  77 -24.626 -18.575  -6.646
  585    H    ASP  78           HN       ASP  78 -27.786 -18.276  -5.377
  586    HA   ASP  78           HA       ASP  78 -29.889 -16.283  -5.926
  587    HB2  ASP  78           HB2      ASP  78 -28.964 -15.076  -4.017
  588    HB3  ASP  78           HB1      ASP  78 -29.349 -16.733  -3.568
  589    H    ARG  79           HN       ARG  79 -28.617 -16.435  -8.143
  590    HA   ARG  79           HA       ARG  79 -26.806 -14.108  -8.187
  591    HB2  ARG  79           HB2      ARG  79 -25.523 -16.306  -8.308
  592    HB3  ARG  79           HB1      ARG  79 -26.336 -16.595  -9.841
  593    HG2  ARG  79           HG2      ARG  79 -24.389 -15.550 -10.584
  594    HG3  ARG  79           HG1      ARG  79 -25.463 -14.160 -10.426
  595    HD2  ARG  79           HD2      ARG  79 -24.541 -13.682  -8.198
  596    HD3  ARG  79           HD1      ARG  79 -23.515 -15.108  -8.300
  597    HE   ARG  79           HE       ARG  79 -22.906 -13.566 -10.524
  598   HH11  ARG  79          HH21      ARG  79 -22.908 -13.255  -7.081
  599   HH12  ARG  79          HH22      ARG  79 -21.580 -12.142  -7.039
  600   HH21  ARG  79          HH11      ARG  79 -21.164 -12.106 -10.482
  601   HH22  ARG  79          HH12      ARG  79 -20.593 -11.492  -8.966
  602    H    LEU  80           HN       LEU  80 -27.801 -12.626  -9.407
  603    HA   LEU  80           HA       LEU  80 -28.940 -13.482 -11.985
  604    HB2  LEU  80           HB2      LEU  80 -30.651 -13.125  -9.936
  605    HB3  LEU  80           HB1      LEU  80 -30.467 -11.440 -10.412
  606    HG   LEU  80           HG       LEU  80 -32.365 -12.383 -11.581
  607   HD11  LEU  80          HD11      LEU  80 -31.833 -11.604 -13.718
  608   HD12  LEU  80          HD12      LEU  80 -30.203 -12.267 -13.668
  609   HD13  LEU  80          HD13      LEU  80 -30.605 -10.835 -12.716
  610   HD21  LEU  80          HD21      LEU  80 -31.084 -14.785 -11.515
  611   HD22  LEU  80          HD22      LEU  80 -30.732 -14.314 -13.176
  612   HD23  LEU  80          HD23      LEU  80 -32.401 -14.427 -12.629
  613    H    SER  81           HN       SER  81 -28.287 -12.233 -13.570
  614    HA   SER  81           HA       SER  81 -27.069  -9.610 -12.908
  615    HB2  SER  81           HB2      SER  81 -25.469  -9.988 -14.487
  616    HB3  SER  81           HB1      SER  81 -25.766 -11.647 -13.998
  617    HG   SER  81           HG       SER  81 -26.845 -12.003 -15.826
  618    H    SER  82           HN       SER  82 -26.874  -8.657 -15.534
  619    HA   SER  82           HA       SER  82 -29.152  -7.197 -15.865
  620    HB2  SER  82           HB2      SER  82 -28.492  -7.012 -18.287
  621    HB3  SER  82           HB1      SER  82 -27.201  -6.652 -17.146
  622    HG   SER  82           HG       SER  82 -26.152  -8.166 -18.152
  623    H    CYS  83           HN       CYS  83 -30.482  -7.384 -18.088
  624    HA   CYS  83           HA       CYS  83 -31.380 -10.121 -18.554
  625    HB2  CYS  83           HB2      CYS  83 -33.638  -9.758 -17.881
  626    HB3  CYS  83           HB1      CYS  83 -32.642  -9.173 -16.544
  627    HG   CYS  83           HG       CYS  83 -34.613  -7.471 -17.810
  628    H    ARG  84           HN       ARG  84 -32.682 -10.304 -20.475
  629    HA   ARG  84           HA       ARG  84 -32.665  -7.884 -22.201
  630    HB2  ARG  84           HB2      ARG  84 -32.364 -10.793 -23.003
  631    HB3  ARG  84           HB1      ARG  84 -32.396  -9.414 -24.104
  632    HG2  ARG  84           HG2      ARG  84 -30.395  -8.481 -23.006
  633    HG3  ARG  84           HG1      ARG  84 -30.364  -9.851 -21.896
  634    HD2  ARG  84           HD2      ARG  84 -28.787 -10.324 -23.650
  635    HD3  ARG  84           HD1      ARG  84 -30.185 -11.364 -23.909
  636    HE   ARG  84           HE       ARG  84 -30.516  -8.945 -25.352
  637   HH11  ARG  84          HH21      ARG  84 -28.676 -11.877 -25.277
  638   HH12  ARG  84          HH22      ARG  84 -28.392 -11.907 -26.986
  639   HH21  ARG  84          HH11      ARG  84 -30.144  -8.976 -27.595
  640   HH22  ARG  84          HH12      ARG  84 -29.224 -10.264 -28.298
  641    H    ALA  85           HN       ALA  85 -34.607  -7.243 -22.905
  642    HA   ALA  85           HA       ALA  85 -37.004  -8.449 -22.031
  643    HB1  ALA  85           HB1      ALA  85 -38.134  -6.802 -23.354
  644    HB2  ALA  85           HB2      ALA  85 -36.727  -6.582 -24.392
  645    HB3  ALA  85           HB3      ALA  85 -36.682  -6.029 -22.719
  646    H    VAL  86           HN       VAL  86 -38.115 -10.135 -22.801
  647    HA   VAL  86           HA       VAL  86 -37.644 -10.971 -25.624
  648    HB   VAL  86           HB       VAL  86 -37.892 -12.698 -23.149
  649   HG11  VAL  86          HG11      VAL  86 -39.148 -13.808 -24.858
  650   HG12  VAL  86          HG12      VAL  86 -37.554 -14.563 -24.867
  651   HG13  VAL  86          HG13      VAL  86 -37.971 -13.366 -26.093
  652   HG21  VAL  86          HG21      VAL  86 -35.672 -13.571 -24.176
  653   HG22  VAL  86          HG22      VAL  86 -35.637 -12.006 -23.368
  654   HG23  VAL  86          HG23      VAL  86 -35.684 -12.087 -25.128
  655    H    HIS  87           HN       HIS  87 -39.404 -11.276 -26.824
  656    HA   HIS  87           HA       HIS  87 -42.048 -11.010 -25.530
  657    HB2  HIS  87           HB2      HIS  87 -41.267 -10.813 -28.452
  658    HB3  HIS  87           HB1      HIS  87 -42.867 -10.495 -27.782
  659    HD2  HIS  87           HD2      HIS  87 -39.611  -8.588 -28.440
  660    HE1  HIS  87           HE1      HIS  87 -41.796  -6.242 -25.693
  661    HE2  HIS  87           HE2      HIS  87 -39.793  -6.271 -27.252
  662    H    LEU  88           HN       LEU  88 -43.814 -12.349 -26.373
  663    HA   LEU  88           HA       LEU  88 -43.070 -15.115 -26.350
  664    HB2  LEU  88           HB2      LEU  88 -45.865 -14.274 -27.046
  665    HB3  LEU  88           HB1      LEU  88 -45.316 -15.555 -25.962
  666    HG   LEU  88           HG       LEU  88 -45.198 -12.574 -25.403
  667   HD11  LEU  88          HD11      LEU  88 -46.912 -13.006 -23.784
  668   HD12  LEU  88          HD12      LEU  88 -46.804 -14.748 -24.061
  669   HD13  LEU  88          HD13      LEU  88 -47.446 -13.693 -25.318
  670   HD21  LEU  88          HD21      LEU  88 -43.321 -13.530 -24.283
  671   HD22  LEU  88          HD22      LEU  88 -44.209 -15.001 -23.891
  672   HD23  LEU  88          HD23      LEU  88 -44.592 -13.492 -23.062
  673    HA   PRO  89           HA       PRO  89 -42.825 -15.758 -30.725
  674    HB2  PRO  89           HB2      PRO  89 -43.536 -18.396 -30.939
  675    HB3  PRO  89           HB1      PRO  89 -41.977 -17.867 -30.278
  676    HG2  PRO  89           HG2      PRO  89 -44.456 -18.706 -28.831
  677    HG3  PRO  89           HG1      PRO  89 -42.762 -19.108 -28.492
  678    HD2  PRO  89           HD2      PRO  89 -44.084 -17.175 -27.098
  679    HD3  PRO  89           HD1      PRO  89 -42.341 -17.083 -27.424
  680    H    SER  90           HN       SER  90 -44.044 -15.966 -32.614
  681    HA   SER  90           HA       SER  90 -46.762 -16.737 -32.691
  682    HB2  SER  90           HB2      SER  90 -47.905 -14.680 -32.765
  683    HB3  SER  90           HB1      SER  90 -46.839 -14.548 -31.370
  684    HG   SER  90           HG       SER  90 -45.491 -13.262 -32.519
  685    H    GLY  91           HN       GLY  91 -43.924 -15.498 -34.090
  686    HA2  GLY  91           HA2      GLY  91 -44.894 -14.764 -36.640
  687    HA3  GLY  91           HA1      GLY  91 -43.235 -15.229 -36.265
  688    H    GLY  92           HN       GLY  92 -43.776 -17.836 -35.287
  689    HA2  GLY  92           HA2      GLY  92 -44.874 -19.225 -37.674
  690    HA3  GLY  92           HA1      GLY  92 -43.327 -19.691 -36.969
  691    H    GLN  93           HN       GLN  93 -46.521 -18.889 -35.593
  692    HA   GLN  93           HA       GLN  93 -47.581 -19.864 -33.762
  693    HB2  GLN  93           HB2      GLN  93 -48.204 -22.320 -34.406
  694    HB3  GLN  93           HB1      GLN  93 -48.789 -20.996 -35.413
  695    HG2  GLN  93           HG2      GLN  93 -46.976 -21.355 -37.008
  696    HG3  GLN  93           HG1      GLN  93 -46.280 -22.603 -35.983
  697   HE21  GLN  93          HE21      GLN  93 -48.011 -24.430 -35.414
  698   HE22  GLN  93          HE22      GLN  93 -48.940 -24.958 -36.740
  699    H    TYR  94           HN       TYR  94 -46.494 -23.038 -34.279
  700    HA   TYR  94           HA       TYR  94 -44.227 -22.901 -32.473
  701    HB2  TYR  94           HB2      TYR  94 -46.397 -22.897 -31.090
  702    HB3  TYR  94           HB1      TYR  94 -46.576 -24.569 -31.612
  703    HD1  TYR  94           HD1      TYR  94 -44.117 -22.218 -30.061
  704    HD2  TYR  94           HD2      TYR  94 -45.460 -26.275 -30.435
  705    HE1  TYR  94           HE1      TYR  94 -42.504 -22.915 -28.312
  706    HE2  TYR  94           HE2      TYR  94 -43.852 -26.975 -28.688
  707    HH   TYR  94           HH       TYR  94 -41.388 -24.839 -27.511
  708    H    LYS  95           HN       LYS  95 -42.819 -24.164 -33.589
  709    HA   LYS  95           HA       LYS  95 -43.660 -26.888 -34.290
  710    HB2  LYS  95           HB2      LYS  95 -44.120 -25.439 -36.285
  711    HB3  LYS  95           HB1      LYS  95 -42.398 -25.025 -36.315
  712    HG2  LYS  95           HG2      LYS  95 -42.852 -26.840 -37.904
  713    HG3  LYS  95           HG1      LYS  95 -41.845 -27.436 -36.588
  714    HD2  LYS  95           HD2      LYS  95 -43.560 -28.708 -35.653
  715    HD3  LYS  95           HD1      LYS  95 -44.834 -27.691 -36.339
  716    HE2  LYS  95           HE2      LYS  95 -43.068 -29.635 -37.862
  717    HE3  LYS  95           HE1      LYS  95 -44.777 -29.853 -37.481
  718    HZ1  LYS  95           HZ1      LYS  95 -45.038 -27.614 -38.696
  719    HZ2  LYS  95           HZ2      LYS  95 -44.841 -29.031 -39.611
  720    HZ3  LYS  95           HZ3      LYS  95 -43.528 -27.980 -39.375
  721    H    ILE  96           HN       ILE  96 -42.108 -28.293 -33.776
  722    HA   ILE  96           HA       ILE  96 -39.288 -27.363 -33.759
  723    HB   ILE  96           HB       ILE  96 -39.751 -27.407 -31.482
  724   HG12  ILE  96          HG12      ILE  96 -39.039 -30.318 -31.804
  725   HG13  ILE  96          HG11      ILE  96 -37.899 -29.067 -32.281
  726   HG21  ILE  96          HG21      ILE  96 -41.359 -29.931 -31.924
  727   HG22  ILE  96          HG22      ILE  96 -42.044 -28.328 -31.682
  728   HG23  ILE  96          HG23      ILE  96 -41.148 -29.109 -30.381
  729   HD11  ILE  96          HD11      ILE  96 -37.425 -29.710 -29.988
  730   HD12  ILE  96          HD12      ILE  96 -39.109 -29.468 -29.539
  731   HD13  ILE  96          HD13      ILE  96 -38.109 -28.085 -29.976
  732    H    GLN  97           HN       GLN  97 -37.835 -28.654 -34.594
  733    HA   GLN  97           HA       GLN  97 -38.588 -31.413 -35.330
  734    HB2  GLN  97           HB2      GLN  97 -37.088 -29.313 -36.863
  735    HB3  GLN  97           HB1      GLN  97 -36.833 -31.030 -37.191
  736    HG2  GLN  97           HG2      GLN  97 -39.142 -31.350 -37.745
  737    HG3  GLN  97           HG1      GLN  97 -39.573 -29.743 -37.168
  738   HE21  GLN  97          HE21      GLN  97 -38.356 -31.551 -39.871
  739   HE22  GLN  97          HE22      GLN  97 -38.153 -30.227 -40.927
  740    H    ILE  98           HN       ILE  98 -37.368 -32.906 -34.393
  741    HA   ILE  98           HA       ILE  98 -34.794 -32.058 -33.164
  742    HB   ILE  98           HB       ILE  98 -36.449 -34.406 -32.219
  743   HG12  ILE  98          HG12      ILE  98 -36.782 -31.523 -31.357
  744   HG13  ILE  98          HG11      ILE  98 -37.964 -32.439 -32.289
  745   HG21  ILE  98          HG21      ILE  98 -35.311 -33.873 -30.104
  746   HG22  ILE  98          HG22      ILE  98 -34.573 -32.463 -30.856
  747   HG23  ILE  98          HG23      ILE  98 -34.147 -34.076 -31.406
  748   HD11  ILE  98          HD11      ILE  98 -38.752 -32.676 -30.094
  749   HD12  ILE  98          HD12      ILE  98 -37.128 -32.826 -29.426
  750   HD13  ILE  98          HD13      ILE  98 -37.831 -34.163 -30.339
  751    H    PHE  99           HN       PHE  99 -32.989 -33.155 -33.715
  752    HA   PHE  99           HA       PHE  99 -33.322 -35.631 -35.276
  753    HB2  PHE  99           HB2      PHE  99 -31.447 -33.338 -35.621
  754    HB3  PHE  99           HB1      PHE  99 -31.036 -34.939 -36.239
  755    HD1  PHE  99           HD2      PHE  99 -32.457 -36.030 -37.959
  756    HD2  PHE  99           HD1      PHE  99 -33.199 -32.007 -36.647
  757    HE1  PHE  99           HE2      PHE  99 -33.857 -35.633 -39.968
  758    HE2  PHE  99           HE1      PHE  99 -34.601 -31.615 -38.651
  759    HZ   PHE  99           HZ       PHE  99 -34.926 -33.425 -40.316
  760    H    GLU 100           HN       GLU 100 -32.481 -37.420 -34.538
  761    HA   GLU 100           HA       GLU 100 -31.250 -37.602 -32.022
  762    HB2  GLU 100           HB2      GLU 100 -32.411 -39.506 -32.968
  763    HB3  GLU 100           HB1      GLU 100 -31.277 -39.566 -34.323
  764    HG2  GLU 100           HG2      GLU 100 -29.447 -40.141 -32.841
  765    HG3  GLU 100           HG1      GLU 100 -30.463 -39.874 -31.430
  766    H    LYS 101           HN       LYS 101 -29.920 -37.081 -35.196
  767    HA   LYS 101           HA       LYS 101 -27.182 -37.370 -34.113
  768    HB2  LYS 101           HB2      LYS 101 -28.160 -37.318 -36.987
  769    HB3  LYS 101           HB1      LYS 101 -26.483 -37.496 -36.478
  770    HG2  LYS 101           HG2      LYS 101 -26.925 -39.582 -35.410
  771    HG3  LYS 101           HG1      LYS 101 -28.661 -39.364 -35.548
  772    HD2  LYS 101           HD2      LYS 101 -28.436 -39.426 -38.027
  773    HD3  LYS 101           HD1      LYS 101 -26.715 -39.748 -37.835
  774    HE2  LYS 101           HE2      LYS 101 -28.769 -41.505 -36.496
  775    HE3  LYS 101           HE1      LYS 101 -28.299 -41.774 -38.178
  776    HZ1  LYS 101           HZ1      LYS 101 -26.346 -42.603 -37.561
  777    HZ2  LYS 101           HZ2      LYS 101 -26.993 -42.713 -35.994
  778    HZ3  LYS 101           HZ3      LYS 101 -26.062 -41.363 -36.438
  779    H    GLY 102           HN       GLY 102 -25.798 -35.760 -34.201
  780    HA2  GLY 102           HA2      GLY 102 -26.765 -33.119 -34.180
  781    HA3  GLY 102           HA1      GLY 102 -25.091 -33.589 -34.064
  782    H    ASP 103           HN       ASP 103 -27.232 -34.283 -36.760
  783    HA   ASP 103           HA       ASP 103 -26.023 -32.178 -38.360
  784    HB2  ASP 103           HB2      ASP 103 -24.938 -33.561 -39.935
  785    HB3  ASP 103           HB1      ASP 103 -24.429 -34.180 -38.363
  786    H    PHE 104           HN       PHE 104 -28.627 -32.797 -37.430
  787    HA   PHE 104           HA       PHE 104 -30.767 -32.943 -38.179
  788    HB2  PHE 104           HB2      PHE 104 -29.566 -32.365 -40.872
  789    HB3  PHE 104           HB1      PHE 104 -31.224 -32.044 -40.361
  790    HD1  PHE 104           HD2      PHE 104 -31.215 -30.748 -37.903
  791    HD2  PHE 104           HD1      PHE 104 -28.235 -30.448 -40.983
  792    HE1  PHE 104           HE2      PHE 104 -30.508 -28.559 -37.003
  793    HE2  PHE 104           HE1      PHE 104 -27.531 -28.250 -40.082
  794    HZ   PHE 104           HZ       PHE 104 -28.664 -27.305 -38.089
  795    H    SER 105           HN       SER 105 -29.887 -35.380 -37.749
  796    HA   SER 105           HA       SER 105 -31.208 -36.906 -39.773
  797    HB2  SER 105           HB2      SER 105 -28.241 -36.936 -39.592
  798    HB3  SER 105           HB1      SER 105 -29.076 -38.428 -40.016
  799    HG   SER 105           HG       SER 105 -29.208 -35.910 -41.321
  800    H    GLY 106           HN       GLY 106 -31.077 -39.301 -39.342
  801    HA2  GLY 106           HA2      GLY 106 -30.952 -41.130 -37.883
  802    HA3  GLY 106           HA1      GLY 106 -30.556 -40.041 -36.581
  803    H    GLN 107           HN       GLN 107 -32.708 -38.292 -36.774
  804    HA   GLN 107           HA       GLN 107 -35.171 -39.827 -36.649
  805    HB2  GLN 107           HB2      GLN 107 -34.048 -40.287 -34.448
  806    HB3  GLN 107           HB1      GLN 107 -34.161 -38.563 -34.110
  807    HG2  GLN 107           HG2      GLN 107 -36.041 -39.673 -33.077
  808    HG3  GLN 107           HG1      GLN 107 -36.632 -38.701 -34.426
  809   HE21  GLN 107          HE21      GLN 107 -38.305 -39.875 -35.385
  810   HE22  GLN 107          HE22      GLN 107 -38.227 -41.526 -35.775
  811    H    MET 108           HN       MET 108 -36.679 -38.438 -37.547
  812    HA   MET 108           HA       MET 108 -36.413 -35.554 -36.838
  813    HB2  MET 108           HB2      MET 108 -36.039 -36.133 -39.273
  814    HB3  MET 108           HB1      MET 108 -37.731 -36.639 -39.328
  815    HG2  MET 108           HG2      MET 108 -38.401 -34.397 -38.486
  816    HG3  MET 108           HG1      MET 108 -36.715 -33.894 -38.535
  817    HE1  MET 108           HE1      MET 108 -39.614 -35.450 -40.570
  818    HE2  MET 108           HE2      MET 108 -39.732 -34.268 -41.873
  819    HE3  MET 108           HE3      MET 108 -39.925 -33.749 -40.199
  820    H    TYR 109           HN       TYR 109 -37.876 -35.141 -35.252
  821    HA   TYR 109           HA       TYR 109 -40.602 -36.251 -35.579
  822    HB2  TYR 109           HB2      TYR 109 -38.878 -35.742 -33.173
  823    HB3  TYR 109           HB1      TYR 109 -40.629 -35.610 -33.014
  824    HD1  TYR 109           HD2      TYR 109 -41.953 -37.600 -34.279
  825    HD2  TYR 109           HD1      TYR 109 -37.953 -37.851 -32.711
  826    HE1  TYR 109           HE2      TYR 109 -42.152 -40.061 -34.169
  827    HE2  TYR 109           HE1      TYR 109 -38.172 -40.321 -32.593
  828    HH   TYR 109           HH       TYR 109 -40.338 -41.971 -32.390
  829    H    GLU 110           HN       GLU 110 -42.236 -34.865 -35.734
  830    HA   GLU 110           HA       GLU 110 -41.712 -31.988 -35.259
  831    HB2  GLU 110           HB2      GLU 110 -43.573 -31.790 -37.127
  832    HB3  GLU 110           HB1      GLU 110 -41.887 -32.034 -37.577
  833    HG2  GLU 110           HG2      GLU 110 -42.240 -34.416 -37.835
  834    HG3  GLU 110           HG1      GLU 110 -43.879 -34.278 -37.206
  835    H    THR 111           HN       THR 111 -42.959 -31.149 -33.722
  836    HA   THR 111           HA       THR 111 -45.757 -31.937 -33.485
  837    HB   THR 111           HB       THR 111 -44.349 -33.526 -32.042
  838    HG1  THR 111           HG1      THR 111 -46.604 -33.004 -31.743
  839   HG21  THR 111          HG21      THR 111 -44.182 -31.146 -30.195
  840   HG22  THR 111          HG22      THR 111 -42.856 -31.582 -31.271
  841   HG23  THR 111          HG23      THR 111 -43.392 -32.713 -30.030
  842    H    THR 112           HN       THR 112 -46.928 -30.155 -33.137
  843    HA   THR 112           HA       THR 112 -45.558 -27.696 -32.302
  844    HB   THR 112           HB       THR 112 -46.877 -27.460 -34.274
  845    HG1  THR 112           HG1      THR 112 -48.375 -26.464 -32.085
  846   HG21  THR 112          HG21      THR 112 -48.311 -29.396 -34.058
  847   HG22  THR 112          HG22      THR 112 -49.321 -27.962 -34.246
  848   HG23  THR 112          HG23      THR 112 -49.111 -28.691 -32.653
  849    H    GLU 113           HN       GLU 113 -45.814 -29.519 -30.260
  850    HA   GLU 113           HA       GLU 113 -47.606 -28.065 -28.418
  851    HB2  GLU 113           HB2      GLU 113 -48.096 -30.408 -27.377
  852    HB3  GLU 113           HB1      GLU 113 -49.002 -29.904 -28.811
  853    HG2  GLU 113           HG2      GLU 113 -47.501 -31.165 -30.251
  854    HG3  GLU 113           HG1      GLU 113 -46.483 -31.586 -28.879
  855    H    ASP 114           HN       ASP 114 -47.185 -29.076 -26.091
  856    HA   ASP 114           HA       ASP 114 -44.334 -28.740 -25.607
  857    HB2  ASP 114           HB2      ASP 114 -45.038 -28.996 -23.194
  858    HB3  ASP 114           HB1      ASP 114 -45.748 -27.627 -24.047
  859    H    CYS 115           HN       CYS 115 -43.099 -30.236 -24.415
  860    HA   CYS 115           HA       CYS 115 -44.051 -33.029 -24.548
  861    HB2  CYS 115           HB2      CYS 115 -41.329 -31.976 -25.297
  862    HB3  CYS 115           HB1      CYS 115 -41.817 -33.672 -25.305
  863    HG   CYS 115           HG       CYS 115 -42.586 -33.204 -27.616
  864    HA   PRO 116           HA       PRO 116 -42.432 -32.573 -20.326
  865    HB2  PRO 116           HB2      PRO 116 -43.404 -34.901 -19.287
  866    HB3  PRO 116           HB1      PRO 116 -44.440 -33.492 -19.582
  867    HG2  PRO 116           HG2      PRO 116 -44.131 -35.978 -21.198
  868    HG3  PRO 116           HG1      PRO 116 -45.590 -35.033 -20.856
  869    HD2  PRO 116           HD2      PRO 116 -44.136 -34.897 -23.222
  870    HD3  PRO 116           HD1      PRO 116 -45.218 -33.610 -22.634
  871    H    SER 117           HN       SER 117 -42.388 -35.850 -21.733
  872    HA   SER 117           HA       SER 117 -39.500 -36.082 -21.043
  873    HB2  SER 117           HB2      SER 117 -41.673 -38.176 -21.093
  874    HB3  SER 117           HB1      SER 117 -39.957 -38.575 -21.058
  875    HG   SER 117           HG       SER 117 -39.783 -37.491 -19.110
  876    H    ILE 118           HN       ILE 118 -38.299 -35.880 -22.820
  877    HA   ILE 118           HA       ILE 118 -39.372 -36.155 -25.428
  878    HB   ILE 118           HB       ILE 118 -37.284 -34.808 -24.447
  879   HG12  ILE 118          HG12      ILE 118 -37.292 -35.915 -27.265
  880   HG13  ILE 118          HG11      ILE 118 -38.304 -34.577 -26.716
  881   HG21  ILE 118          HG21      ILE 118 -35.930 -37.198 -25.707
  882   HG22  ILE 118          HG22      ILE 118 -36.006 -36.903 -23.969
  883   HG23  ILE 118          HG23      ILE 118 -35.155 -35.774 -25.015
  884   HD11  ILE 118          HD11      ILE 118 -35.358 -34.352 -26.252
  885   HD12  ILE 118          HD12      ILE 118 -36.553 -33.103 -26.601
  886   HD13  ILE 118          HD13      ILE 118 -35.967 -34.138 -27.888
  887    H    MET 119           HN       MET 119 -37.272 -38.199 -23.453
  888    HA   MET 119           HA       MET 119 -36.800 -40.163 -25.430
  889    HB2  MET 119           HB2      MET 119 -35.433 -39.861 -23.379
  890    HB3  MET 119           HB1      MET 119 -36.786 -40.479 -22.430
  891    HG2  MET 119           HG2      MET 119 -36.691 -42.613 -23.538
  892    HG3  MET 119           HG1      MET 119 -35.536 -42.005 -24.719
  893    HE1  MET 119           HE1      MET 119 -33.879 -43.997 -24.280
  894    HE2  MET 119           HE2      MET 119 -35.194 -44.597 -23.273
  895    HE3  MET 119           HE3      MET 119 -33.544 -44.605 -22.653
  896    H    GLU 120           HN       GLU 120 -39.519 -39.467 -23.446
  897    HA   GLU 120           HA       GLU 120 -40.611 -42.108 -23.343
  898    HB2  GLU 120           HB2      GLU 120 -41.248 -40.403 -21.722
  899    HB3  GLU 120           HB1      GLU 120 -41.942 -39.418 -23.011
  900    HG2  GLU 120           HG2      GLU 120 -43.598 -41.168 -23.499
  901    HG3  GLU 120           HG1      GLU 120 -42.870 -42.213 -22.289
  902    H    GLN 121           HN       GLN 121 -41.288 -39.253 -25.361
  903    HA   GLN 121           HA       GLN 121 -43.101 -40.885 -26.997
  904    HB2  GLN 121           HB2      GLN 121 -43.852 -38.749 -27.913
  905    HB3  GLN 121           HB1      GLN 121 -43.976 -38.784 -26.158
  906    HG2  GLN 121           HG2      GLN 121 -42.340 -37.194 -25.850
  907    HG3  GLN 121           HG1      GLN 121 -41.406 -37.720 -27.249
  908   HE21  GLN 121          HE21      GLN 121 -42.215 -34.948 -26.576
  909   HE22  GLN 121          HE22      GLN 121 -43.149 -34.401 -27.884
  910    H    PHE 122           HN       PHE 122 -39.970 -39.348 -27.147
  911    HA   PHE 122           HA       PHE 122 -39.826 -40.011 -30.035
  912    HB2  PHE 122           HB2      PHE 122 -38.302 -37.916 -28.478
  913    HB3  PHE 122           HB1      PHE 122 -38.055 -38.291 -30.181
  914    HD1  PHE 122           HD2      PHE 122 -40.772 -38.589 -31.285
  915    HD2  PHE 122           HD1      PHE 122 -39.336 -35.821 -28.330
  916    HE1  PHE 122           HE2      PHE 122 -42.585 -37.029 -31.862
  917    HE2  PHE 122           HE1      PHE 122 -41.152 -34.255 -28.920
  918    HZ   PHE 122           HZ       PHE 122 -42.779 -34.860 -30.686
  919    H    HIS 123           HN       HIS 123 -38.972 -41.244 -27.165
  920    HA   HIS 123           HA       HIS 123 -37.307 -42.687 -26.477
  921    HB2  HIS 123           HB2      HIS 123 -37.254 -43.222 -29.443
  922    HB3  HIS 123           HB1      HIS 123 -36.564 -44.269 -28.201
  923    HD2  HIS 123           HD2      HIS 123 -39.187 -45.389 -29.922
  924    HE1  HIS 123           HE1      HIS 123 -41.329 -44.615 -26.368
  925    HE2  HIS 123           HE2      HIS 123 -41.382 -45.854 -28.585
  926    H    MET 124           HN       MET 124 -36.553 -39.884 -27.667
  927    HA   MET 124           HA       MET 124 -33.806 -40.296 -28.467
  928    HB2  MET 124           HB2      MET 124 -35.484 -37.846 -27.916
  929    HB3  MET 124           HB1      MET 124 -33.756 -37.750 -28.252
  930    HG2  MET 124           HG2      MET 124 -34.093 -38.901 -30.386
  931    HG3  MET 124           HG1      MET 124 -35.803 -39.062 -30.055
  932    HE1  MET 124           HE1      MET 124 -34.085 -36.044 -32.562
  933    HE2  MET 124           HE2      MET 124 -33.572 -37.654 -32.100
  934    HE3  MET 124           HE3      MET 124 -32.983 -36.264 -31.203
  935    H    ARG 125           HN       ARG 125 -32.043 -40.158 -27.207
  936    HA   ARG 125           HA       ARG 125 -32.492 -39.795 -24.305
  937    HB2  ARG 125           HB2      ARG 125 -30.221 -41.047 -24.247
  938    HB3  ARG 125           HB1      ARG 125 -31.671 -41.967 -24.639
  939    HG2  ARG 125           HG2      ARG 125 -31.180 -41.765 -27.034
  940    HG3  ARG 125           HG1      ARG 125 -29.762 -40.780 -26.674
  941    HD2  ARG 125           HD2      ARG 125 -29.049 -43.070 -27.073
  942    HD3  ARG 125           HD1      ARG 125 -28.827 -42.692 -25.366
  943    HE   ARG 125           HE       ARG 125 -31.390 -43.840 -25.759
  944   HH11  ARG 125          HH21      ARG 125 -28.014 -44.596 -25.793
  945   HH12  ARG 125          HH22      ARG 125 -28.238 -46.248 -25.327
  946   HH21  ARG 125          HH11      ARG 125 -31.693 -46.003 -25.148
  947   HH22  ARG 125          HH12      ARG 125 -30.322 -47.047 -24.963
  948    H    GLU 126           HN       GLU 126 -30.716 -38.662 -27.100
  949    HA   GLU 126           HA       GLU 126 -29.680 -36.453 -25.507
  950    HB2  GLU 126           HB2      GLU 126 -27.745 -38.090 -27.154
  951    HB3  GLU 126           HB1      GLU 126 -27.382 -36.702 -26.142
  952    HG2  GLU 126           HG2      GLU 126 -28.156 -37.977 -24.145
  953    HG3  GLU 126           HG1      GLU 126 -28.382 -39.389 -25.175
  954    H    ILE 127           HN       ILE 127 -30.556 -34.873 -26.613
  955    HA   ILE 127           HA       ILE 127 -30.882 -34.933 -29.469
  956    HB   ILE 127           HB       ILE 127 -31.069 -32.478 -27.722
  957   HG12  ILE 127          HG12      ILE 127 -32.443 -34.047 -26.559
  958   HG13  ILE 127          HG11      ILE 127 -33.550 -33.149 -27.602
  959   HG21  ILE 127          HG21      ILE 127 -32.877 -31.955 -29.407
  960   HG22  ILE 127          HG22      ILE 127 -32.334 -33.362 -30.317
  961   HG23  ILE 127          HG23      ILE 127 -31.255 -32.014 -30.072
  962   HD11  ILE 127          HD11      ILE 127 -32.427 -35.916 -28.078
  963   HD12  ILE 127          HD12      ILE 127 -33.278 -34.992 -29.310
  964   HD13  ILE 127          HD13      ILE 127 -34.110 -35.474 -27.841
  965    H    HIS 128           HN       HIS 128 -29.451 -34.478 -30.943
  966    HA   HIS 128           HA       HIS 128 -26.978 -33.057 -30.180
  967    HB2  HIS 128           HB2      HIS 128 -27.543 -34.834 -32.544
  968    HB3  HIS 128           HB1      HIS 128 -25.987 -34.141 -32.099
  969    HD2  HIS 128           HD2      HIS 128 -24.634 -35.478 -30.055
  970    HE1  HIS 128           HE1      HIS 128 -27.583 -38.432 -29.419
  971    HE2  HIS 128           HE2      HIS 128 -25.215 -37.716 -28.826
  972    H    SER 129           HN       SER 129 -29.697 -33.027 -32.403
  973    HA   SER 129           HA       SER 129 -29.045 -30.273 -33.135
  974    HB2  SER 129           HB2      SER 129 -29.115 -32.555 -35.093
  975    HB3  SER 129           HB1      SER 129 -29.496 -30.910 -35.596
  976    HG   SER 129           HG       SER 129 -27.304 -30.938 -34.050
  977    H    CYS 130           HN       CYS 130 -30.806 -29.080 -33.754
  978    HA   CYS 130           HA       CYS 130 -33.393 -30.371 -34.161
  979    HB2  CYS 130           HB2      CYS 130 -33.485 -30.243 -31.796
  980    HB3  CYS 130           HB1      CYS 130 -32.737 -28.644 -31.773
  981    HG   CYS 130           HG       CYS 130 -35.392 -28.649 -33.278
  982    H    LYS 131           HN       LYS 131 -34.403 -29.334 -35.751
  983    HA   LYS 131           HA       LYS 131 -33.496 -26.648 -36.519
  984    HB2  LYS 131           HB2      LYS 131 -35.139 -28.749 -37.927
  985    HB3  LYS 131           HB1      LYS 131 -34.975 -27.107 -38.541
  986    HG2  LYS 131           HG2      LYS 131 -32.554 -27.346 -38.649
  987    HG3  LYS 131           HG1      LYS 131 -32.654 -28.940 -37.906
  988    HD2  LYS 131           HD2      LYS 131 -32.412 -29.249 -40.298
  989    HD3  LYS 131           HD1      LYS 131 -34.060 -29.690 -39.854
  990    HE2  LYS 131           HE2      LYS 131 -34.968 -27.711 -40.760
  991    HE3  LYS 131           HE1      LYS 131 -33.404 -26.891 -40.772
  992    HZ1  LYS 131           HZ1      LYS 131 -32.765 -27.940 -42.660
  993    HZ2  LYS 131           HZ2      LYS 131 -34.443 -27.958 -42.931
  994    HZ3  LYS 131           HZ3      LYS 131 -33.658 -29.344 -42.336
  995    H    VAL 132           HN       VAL 132 -34.806 -26.392 -34.226
  996    HA   VAL 132           HA       VAL 132 -37.624 -25.757 -34.801
  997    HB   VAL 132           HB       VAL 132 -37.189 -26.950 -32.717
  998   HG11  VAL 132          HG11      VAL 132 -35.698 -26.223 -31.059
  999   HG12  VAL 132          HG12      VAL 132 -35.660 -24.576 -31.683
 1000   HG13  VAL 132          HG13      VAL 132 -34.812 -25.859 -32.540
 1001   HG21  VAL 132          HG21      VAL 132 -38.410 -25.507 -31.241
 1002   HG22  VAL 132          HG22      VAL 132 -38.949 -25.118 -32.873
 1003   HG23  VAL 132          HG23      VAL 132 -37.802 -24.064 -32.052
 1004    H    LEU 133           HN       LEU 133 -38.223 -23.727 -35.294
 1005    HA   LEU 133           HA       LEU 133 -36.686 -21.498 -34.202
 1006    HB2  LEU 133           HB2      LEU 133 -36.952 -20.588 -36.778
 1007    HB3  LEU 133           HB1      LEU 133 -35.489 -21.346 -36.150
 1008    HG   LEU 133           HG       LEU 133 -36.313 -23.560 -36.945
 1009   HD11  LEU 133          HD11      LEU 133 -38.541 -21.899 -38.172
 1010   HD12  LEU 133          HD12      LEU 133 -38.744 -23.069 -36.872
 1011   HD13  LEU 133          HD13      LEU 133 -38.258 -23.611 -38.474
 1012   HD21  LEU 133          HD21      LEU 133 -36.030 -23.089 -39.361
 1013   HD22  LEU 133          HD22      LEU 133 -34.844 -22.225 -38.382
 1014   HD23  LEU 133          HD23      LEU 133 -36.238 -21.368 -39.038
 1015    H    GLU 134           HN       GLU 134 -38.388 -20.904 -33.019
 1016    HA   GLU 134           HA       GLU 134 -40.510 -19.481 -34.459
 1017    HB2  GLU 134           HB2      GLU 134 -40.932 -21.768 -32.550
 1018    HB3  GLU 134           HB1      GLU 134 -42.071 -20.425 -32.515
 1019    HG2  GLU 134           HG2      GLU 134 -42.941 -22.036 -34.048
 1020    HG3  GLU 134           HG1      GLU 134 -42.336 -20.707 -35.021
 1021    H    GLY 135           HN       GLY 135 -40.148 -17.476 -33.835
 1022    HA2  GLY 135           HA2      GLY 135 -39.418 -15.700 -32.515
 1023    HA3  GLY 135           HA1      GLY 135 -40.738 -16.286 -31.514
 1024    H    VAL 136           HN       VAL 136 -40.283 -17.698 -29.777
 1025    HA   VAL 136           HA       VAL 136 -37.457 -17.763 -28.889
 1026    HB   VAL 136           HB       VAL 136 -39.813 -17.433 -27.054
 1027   HG11  VAL 136          HG11      VAL 136 -37.560 -18.230 -26.195
 1028   HG12  VAL 136          HG12      VAL 136 -38.132 -16.736 -25.467
 1029   HG13  VAL 136          HG13      VAL 136 -36.901 -16.689 -26.725
 1030   HG21  VAL 136          HG21      VAL 136 -39.844 -15.530 -28.568
 1031   HG22  VAL 136          HG22      VAL 136 -38.112 -15.291 -28.342
 1032   HG23  VAL 136          HG23      VAL 136 -39.221 -15.029 -27.002
 1033    H    TRP 137           HN       TRP 137 -36.949 -19.529 -27.447
 1034    HA   TRP 137           HA       TRP 137 -38.918 -21.703 -27.283
 1035    HB2  TRP 137           HB2      TRP 137 -37.477 -21.877 -29.411
 1036    HB3  TRP 137           HB1      TRP 137 -36.136 -22.249 -28.324
 1037    HD1  TRP 137           HD1      TRP 137 -36.196 -24.517 -27.025
 1038    HE1  TRP 137           HE1      TRP 137 -37.604 -26.669 -27.316
 1039    HE3  TRP 137           HE3      TRP 137 -39.826 -22.754 -30.127
 1040    HZ2  TRP 137           HZ2      TRP 137 -39.972 -27.496 -28.682
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.648 -24.237 -30.910
 1042    HH2  TRP 137           HH2      TRP 137 -41.722 -26.604 -30.185
 1043    H    ILE 138           HN       ILE 138 -38.061 -23.524 -25.895
 1044    HA   ILE 138           HA       ILE 138 -35.964 -22.727 -24.000
 1045    HB   ILE 138           HB       ILE 138 -38.799 -23.376 -23.141
 1046   HG12  ILE 138          HG12      ILE 138 -37.064 -20.930 -22.651
 1047   HG13  ILE 138          HG11      ILE 138 -38.357 -21.021 -23.845
 1048   HG21  ILE 138          HG21      ILE 138 -36.216 -23.127 -21.575
 1049   HG22  ILE 138          HG22      ILE 138 -37.318 -24.502 -21.617
 1050   HG23  ILE 138          HG23      ILE 138 -37.801 -23.014 -20.817
 1051   HD11  ILE 138          HD11      ILE 138 -38.574 -21.067 -20.846
 1052   HD12  ILE 138          HD12      ILE 138 -39.862 -21.739 -21.846
 1053   HD13  ILE 138          HD13      ILE 138 -39.424 -20.036 -21.995
 1054    H    PHE 139           HN       PHE 139 -34.657 -24.392 -23.695
 1055    HA   PHE 139           HA       PHE 139 -35.709 -27.155 -23.997
 1056    HB2  PHE 139           HB2      PHE 139 -33.245 -25.797 -24.891
 1057    HB3  PHE 139           HB1      PHE 139 -32.902 -27.298 -24.031
 1058    HD1  PHE 139           HD1      PHE 139 -35.923 -26.564 -26.119
 1059    HD2  PHE 139           HD2      PHE 139 -32.210 -28.699 -25.815
 1060    HE1  PHE 139           HE1      PHE 139 -36.534 -27.885 -28.102
 1061    HE2  PHE 139           HE2      PHE 139 -32.817 -30.028 -27.817
 1062    HZ   PHE 139           HZ       PHE 139 -34.976 -29.621 -28.966
 1063    H    TYR 140           HN       TYR 140 -35.766 -28.427 -22.317
 1064    HA   TYR 140           HA       TYR 140 -34.535 -27.451 -19.795
 1065    HB2  TYR 140           HB2      TYR 140 -37.029 -28.984 -20.464
 1066    HB3  TYR 140           HB1      TYR 140 -36.299 -29.213 -18.895
 1067    HD1  TYR 140           HD2      TYR 140 -35.699 -27.049 -17.559
 1068    HD2  TYR 140           HD1      TYR 140 -38.473 -27.167 -20.827
 1069    HE1  TYR 140           HE2      TYR 140 -36.724 -24.937 -16.765
 1070    HE2  TYR 140           HE1      TYR 140 -39.500 -25.061 -20.040
 1071    HH   TYR 140           HH       TYR 140 -39.485 -23.907 -17.334
 1072    H    GLU 141           HN       GLU 141 -32.635 -28.425 -19.463
 1073    HA   GLU 141           HA       GLU 141 -31.673 -30.756 -20.522
 1074    HB2  GLU 141           HB2      GLU 141 -30.351 -29.119 -19.189
 1075    HB3  GLU 141           HB1      GLU 141 -31.096 -29.758 -17.724
 1076    HG2  GLU 141           HG2      GLU 141 -30.185 -31.990 -18.221
 1077    HG3  GLU 141           HG1      GLU 141 -29.469 -31.370 -19.706
 1078    H    LEU 142           HN       LEU 142 -34.041 -30.394 -18.016
 1079    HA   LEU 142           HA       LEU 142 -33.998 -33.321 -17.551
 1080    HB2  LEU 142           HB2      LEU 142 -34.326 -31.006 -15.729
 1081    HB3  LEU 142           HB1      LEU 142 -35.441 -32.319 -15.434
 1082    HG   LEU 142           HG       LEU 142 -33.556 -33.898 -15.273
 1083   HD11  LEU 142          HD11      LEU 142 -31.231 -32.746 -15.088
 1084   HD12  LEU 142          HD12      LEU 142 -31.980 -31.420 -15.976
 1085   HD13  LEU 142          HD13      LEU 142 -31.889 -33.027 -16.699
 1086   HD21  LEU 142          HD21      LEU 142 -32.550 -32.956 -13.183
 1087   HD22  LEU 142          HD22      LEU 142 -34.307 -32.805 -13.225
 1088   HD23  LEU 142          HD23      LEU 142 -33.293 -31.403 -13.566
 1089    HA   PRO 143           HA       PRO 143 -38.082 -33.456 -19.139
 1090    HB2  PRO 143           HB2      PRO 143 -39.166 -35.572 -17.819
 1091    HB3  PRO 143           HB1      PRO 143 -37.859 -35.765 -19.003
 1092    HG2  PRO 143           HG2      PRO 143 -37.731 -35.780 -16.026
 1093    HG3  PRO 143           HG1      PRO 143 -36.827 -36.749 -17.199
 1094    HD2  PRO 143           HD2      PRO 143 -35.820 -34.501 -15.907
 1095    HD3  PRO 143           HD1      PRO 143 -35.186 -35.160 -17.424
 1096    H    ASN 144           HN       ASN 144 -40.387 -33.323 -18.613
 1097    HA   ASN 144           HA       ASN 144 -42.209 -32.566 -17.448
 1098    HB2  ASN 144           HB2      ASN 144 -40.583 -32.309 -14.923
 1099    HB3  ASN 144           HB1      ASN 144 -42.291 -32.705 -15.119
 1100   HD21  ASN 144          HD21      ASN 144 -39.051 -34.044 -15.064
 1101   HD22  ASN 144          HD22      ASN 144 -39.518 -35.667 -15.230
 1102    H    TYR 145           HN       TYR 145 -39.696 -30.886 -18.421
 1103    HA   TYR 145           HA       TYR 145 -39.511 -28.650 -18.867
 1104    HB2  TYR 145           HB2      TYR 145 -41.577 -27.902 -16.820
 1105    HB3  TYR 145           HB1      TYR 145 -41.203 -27.151 -18.368
 1106    HD1  TYR 145           HD2      TYR 145 -41.371 -29.091 -20.395
 1107    HD2  TYR 145           HD1      TYR 145 -43.695 -28.888 -16.784
 1108    HE1  TYR 145           HE2      TYR 145 -43.181 -30.401 -21.481
 1109    HE2  TYR 145           HE1      TYR 145 -45.488 -30.209 -17.865
 1110    HH   TYR 145           HH       TYR 145 -45.517 -31.964 -19.879
 1111    H    ARG 146           HN       ARG 146 -38.245 -30.203 -16.606
 1112    HA   ARG 146           HA       ARG 146 -37.544 -27.974 -14.793
 1113    HB2  ARG 146           HB2      ARG 146 -37.264 -30.968 -14.482
 1114    HB3  ARG 146           HB1      ARG 146 -36.611 -29.790 -13.342
 1115    HG2  ARG 146           HG2      ARG 146 -38.874 -28.880 -12.975
 1116    HG3  ARG 146           HG1      ARG 146 -39.531 -30.048 -14.121
 1117    HD2  ARG 146           HD2      ARG 146 -38.000 -30.823 -11.627
 1118    HD3  ARG 146           HD1      ARG 146 -39.756 -30.733 -11.706
 1119    HE   ARG 146           HE       ARG 146 -39.083 -32.373 -13.794
 1120   HH11  ARG 146          HH21      ARG 146 -38.400 -32.260 -10.405
 1121   HH12  ARG 146          HH22      ARG 146 -38.280 -33.979 -10.230
 1122   HH21  ARG 146          HH11      ARG 146 -38.927 -34.629 -13.572
 1123   HH22  ARG 146          HH12      ARG 146 -38.579 -35.320 -12.022
 1124    H    GLY 147           HN       GLY 147 -35.220 -28.086 -14.002
 1125    HA2  GLY 147           HA2      GLY 147 -32.919 -28.472 -14.443
 1126    HA3  GLY 147           HA1      GLY 147 -33.334 -29.020 -16.063
 1127    H    ARG 148           HN       ARG 148 -31.281 -27.327 -15.852
 1128    HA   ARG 148           HA       ARG 148 -31.865 -24.573 -15.958
 1129    HB2  ARG 148           HB2      ARG 148 -29.684 -24.429 -17.212
 1130    HB3  ARG 148           HB1      ARG 148 -29.588 -25.299 -15.675
 1131    HG2  ARG 148           HG2      ARG 148 -29.820 -27.447 -16.894
 1132    HG3  ARG 148           HG1      ARG 148 -29.858 -26.563 -18.419
 1133    HD2  ARG 148           HD2      ARG 148 -27.620 -25.657 -17.965
 1134    HD3  ARG 148           HD1      ARG 148 -27.580 -26.504 -16.423
 1135    HE   ARG 148           HE       ARG 148 -28.051 -28.274 -18.645
 1136   HH11  ARG 148          HH21      ARG 148 -25.686 -26.531 -16.820
 1137   HH12  ARG 148          HH22      ARG 148 -24.391 -27.616 -17.199
 1138   HH21  ARG 148          HH11      ARG 148 -26.358 -29.707 -19.144
 1139   HH22  ARG 148          HH12      ARG 148 -24.770 -29.414 -18.515
 1140    H    GLN 149           HN       GLN 149 -32.341 -23.206 -17.634
 1141    HA   GLN 149           HA       GLN 149 -33.485 -24.468 -20.028
 1142    HB2  GLN 149           HB2      GLN 149 -33.788 -21.753 -18.772
 1143    HB3  GLN 149           HB1      GLN 149 -34.464 -22.157 -20.352
 1144    HG2  GLN 149           HG2      GLN 149 -35.796 -23.933 -19.380
 1145    HG3  GLN 149           HG1      GLN 149 -35.026 -23.706 -17.808
 1146   HE21  GLN 149          HE21      GLN 149 -36.375 -22.588 -16.418
 1147   HE22  GLN 149          HE22      GLN 149 -37.425 -21.327 -16.872
 1148    H    TYR 150           HN       TYR 150 -32.926 -23.850 -22.107
 1149    HA   TYR 150           HA       TYR 150 -30.441 -22.244 -22.371
 1150    HB2  TYR 150           HB2      TYR 150 -31.346 -24.700 -23.879
 1151    HB3  TYR 150           HB1      TYR 150 -30.065 -23.641 -24.456
 1152    HD1  TYR 150           HD2      TYR 150 -28.288 -22.988 -22.471
 1153    HD2  TYR 150           HD1      TYR 150 -30.646 -26.580 -22.679
 1154    HE1  TYR 150           HE2      TYR 150 -26.675 -24.137 -20.987
 1155    HE2  TYR 150           HE1      TYR 150 -29.018 -27.728 -21.200
 1156    HH   TYR 150           HH       TYR 150 -26.228 -27.129 -20.733
 1157    H    LEU 151           HN       LEU 151 -30.445 -20.592 -23.763
 1158    HA   LEU 151           HA       LEU 151 -32.493 -20.401 -25.847
 1159    HB2  LEU 151           HB2      LEU 151 -33.292 -19.355 -23.594
 1160    HB3  LEU 151           HB1      LEU 151 -32.144 -18.071 -23.967
 1161    HG   LEU 151           HG       LEU 151 -34.393 -18.994 -25.784
 1162   HD11  LEU 151          HD11      LEU 151 -35.454 -17.811 -24.056
 1163   HD12  LEU 151          HD12      LEU 151 -35.142 -16.547 -25.240
 1164   HD13  LEU 151          HD13      LEU 151 -34.097 -16.711 -23.834
 1165   HD21  LEU 151          HD21      LEU 151 -33.721 -16.718 -26.900
 1166   HD22  LEU 151          HD22      LEU 151 -32.745 -18.143 -27.231
 1167   HD23  LEU 151          HD23      LEU 151 -32.188 -16.949 -26.059
 1168    H    LEU 152           HN       LEU 152 -31.003 -20.319 -27.477
 1169    HA   LEU 152           HA       LEU 152 -29.295 -17.926 -27.580
 1170    HB2  LEU 152           HB2      LEU 152 -27.940 -19.934 -26.808
 1171    HB3  LEU 152           HB1      LEU 152 -28.282 -20.661 -28.375
 1172    HG   LEU 152           HG       LEU 152 -27.368 -18.380 -29.338
 1173   HD11  LEU 152          HD11      LEU 152 -26.166 -18.451 -26.552
 1174   HD12  LEU 152          HD12      LEU 152 -27.163 -17.168 -27.236
 1175   HD13  LEU 152          HD13      LEU 152 -25.549 -17.465 -27.873
 1176   HD21  LEU 152          HD21      LEU 152 -25.652 -20.555 -28.107
 1177   HD22  LEU 152          HD22      LEU 152 -25.013 -19.313 -29.183
 1178   HD23  LEU 152          HD23      LEU 152 -26.224 -20.451 -29.772
 1179    H    ASP 153           HN       ASP 153 -29.381 -16.941 -29.505
 1180    HA   ASP 153           HA       ASP 153 -31.071 -18.078 -31.575
 1181    HB2  ASP 153           HB2      ASP 153 -31.023 -15.619 -30.806
 1182    HB3  ASP 153           HB1      ASP 153 -29.544 -15.484 -31.756
 1183    H    LYS 154           HN       LYS 154 -29.481 -16.507 -33.616
 1184    HA   LYS 154           HA       LYS 154 -27.854 -16.875 -35.186
 1185    HB2  LYS 154           HB2      LYS 154 -26.410 -16.948 -33.038
 1186    HB3  LYS 154           HB1      LYS 154 -26.431 -18.696 -33.251
 1187    HG2  LYS 154           HG2      LYS 154 -25.480 -18.473 -35.498
 1188    HG3  LYS 154           HG1      LYS 154 -25.543 -16.717 -35.370
 1189    HD2  LYS 154           HD2      LYS 154 -23.354 -16.975 -34.695
 1190    HD3  LYS 154           HD1      LYS 154 -24.103 -17.251 -33.124
 1191    HE2  LYS 154           HE2      LYS 154 -23.238 -19.365 -35.122
 1192    HE3  LYS 154           HE1      LYS 154 -22.510 -19.037 -33.552
 1193    HZ1  LYS 154           HZ1      LYS 154 -24.803 -19.520 -32.621
 1194    HZ2  LYS 154           HZ2      LYS 154 -23.915 -20.848 -33.200
 1195    HZ3  LYS 154           HZ3      LYS 154 -25.171 -20.187 -34.136
 1196    H    LYS 155           HN       LYS 155 -28.835 -18.023 -36.752
 1197    HA   LYS 155           HA       LYS 155 -29.721 -19.827 -37.900
 1198    HB2  LYS 155           HB2      LYS 155 -27.150 -21.000 -36.811
 1199    HB3  LYS 155           HB1      LYS 155 -28.094 -21.687 -38.133
 1200    HG2  LYS 155           HG2      LYS 155 -27.801 -19.622 -39.436
 1201    HG3  LYS 155           HG1      LYS 155 -26.885 -18.905 -38.110
 1202    HD2  LYS 155           HD2      LYS 155 -25.235 -20.780 -38.309
 1203    HD3  LYS 155           HD1      LYS 155 -26.112 -21.348 -39.730
 1204    HE2  LYS 155           HE2      LYS 155 -24.854 -18.606 -39.430
 1205    HE3  LYS 155           HE1      LYS 155 -24.184 -19.937 -40.372
 1206    HZ1  LYS 155           HZ1      LYS 155 -26.869 -19.551 -41.101
 1207    HZ2  LYS 155           HZ2      LYS 155 -25.475 -19.375 -42.057
 1208    HZ3  LYS 155           HZ3      LYS 155 -26.073 -18.054 -41.173
 1209    H    GLU 156           HN       GLU 156 -29.591 -22.557 -37.512
 1210    HA   GLU 156           HA       GLU 156 -31.443 -22.891 -35.289
 1211    HB2  GLU 156           HB2      GLU 156 -31.727 -25.175 -36.227
 1212    HB3  GLU 156           HB1      GLU 156 -32.043 -23.911 -37.405
 1213    HG2  GLU 156           HG2      GLU 156 -29.303 -25.167 -37.178
 1214    HG3  GLU 156           HG1      GLU 156 -30.569 -25.913 -38.148
 1215    H    TYR 157           HN       TYR 157 -30.454 -25.840 -35.320
 1216    HA   TYR 157           HA       TYR 157 -28.030 -25.528 -33.682
 1217    HB2  TYR 157           HB2      TYR 157 -30.344 -27.250 -32.808
 1218    HB3  TYR 157           HB1      TYR 157 -28.921 -26.797 -31.879
 1219    HD1  TYR 157           HD2      TYR 157 -28.595 -23.984 -32.055
 1220    HD2  TYR 157           HD1      TYR 157 -32.281 -26.197 -32.026
 1221    HE1  TYR 157           HE2      TYR 157 -29.782 -21.987 -31.221
 1222    HE2  TYR 157           HE1      TYR 157 -33.459 -24.188 -31.183
 1223    HH   TYR 157           HH       TYR 157 -32.357 -21.870 -29.725
 1224    H    ARG 158           HN       ARG 158 -26.574 -26.670 -34.786
 1225    HA   ARG 158           HA       ARG 158 -27.377 -29.278 -35.921
 1226    HB2  ARG 158           HB2      ARG 158 -25.672 -29.084 -37.525
 1227    HB3  ARG 158           HB1      ARG 158 -26.403 -27.480 -37.446
 1228    HG2  ARG 158           HG2      ARG 158 -24.584 -26.827 -35.813
 1229    HG3  ARG 158           HG1      ARG 158 -23.813 -28.379 -36.158
 1230    HD2  ARG 158           HD2      ARG 158 -24.521 -26.352 -38.276
 1231    HD3  ARG 158           HD1      ARG 158 -22.925 -26.496 -37.544
 1232    HE   ARG 158           HE       ARG 158 -23.539 -29.031 -38.436
 1233   HH11  ARG 158          HH21      ARG 158 -23.316 -25.848 -39.756
 1234   HH12  ARG 158          HH22      ARG 158 -22.844 -26.382 -41.335
 1235   HH21  ARG 158          HH11      ARG 158 -22.922 -29.749 -40.500
 1236   HH22  ARG 158          HH12      ARG 158 -22.620 -28.596 -41.758
 1237    H    LYS 159           HN       LYS 159 -25.399 -27.713 -33.567
 1238    HA   LYS 159           HA       LYS 159 -24.070 -30.282 -32.923
 1239    HB2  LYS 159           HB2      LYS 159 -22.454 -28.386 -31.724
 1240    HB3  LYS 159           HB1      LYS 159 -22.124 -29.150 -33.274
 1241    HG2  LYS 159           HG2      LYS 159 -22.680 -27.271 -34.493
 1242    HG3  LYS 159           HG1      LYS 159 -23.914 -26.762 -33.372
 1243    HD2  LYS 159           HD2      LYS 159 -22.116 -25.170 -33.247
 1244    HD3  LYS 159           HD1      LYS 159 -22.127 -26.103 -31.756
 1245    HE2  LYS 159           HE2      LYS 159 -19.839 -25.832 -32.743
 1246    HE3  LYS 159           HE1      LYS 159 -20.334 -27.514 -32.549
 1247    HZ1  LYS 159           HZ1      LYS 159 -21.072 -26.316 -35.074
 1248    HZ2  LYS 159           HZ2      LYS 159 -20.398 -27.841 -34.749
 1249    HZ3  LYS 159           HZ3      LYS 159 -19.400 -26.469 -34.832
 1250    HA   PRO 160           HA       PRO 160 -25.886 -30.198 -28.958
 1251    HB2  PRO 160           HB2      PRO 160 -23.757 -30.922 -27.317
 1252    HB3  PRO 160           HB1      PRO 160 -24.744 -32.031 -28.261
 1253    HG2  PRO 160           HG2      PRO 160 -22.088 -30.895 -28.904
 1254    HG3  PRO 160           HG1      PRO 160 -22.711 -32.527 -29.196
 1255    HD2  PRO 160           HD2      PRO 160 -22.549 -30.705 -31.182
 1256    HD3  PRO 160           HD1      PRO 160 -23.861 -31.894 -31.105
 1257    H    ILE 161           HN       ILE 161 -23.144 -28.167 -29.520
 1258    HA   ILE 161           HA       ILE 161 -23.582 -26.719 -26.999
 1259    HB   ILE 161           HB       ILE 161 -21.420 -26.440 -29.095
 1260   HG12  ILE 161          HG12      ILE 161 -20.265 -27.441 -26.759
 1261   HG13  ILE 161          HG11      ILE 161 -21.792 -28.312 -26.818
 1262   HG21  ILE 161          HG21      ILE 161 -20.308 -25.319 -26.996
 1263   HG22  ILE 161          HG22      ILE 161 -21.971 -25.107 -26.451
 1264   HG23  ILE 161          HG23      ILE 161 -21.441 -24.393 -27.978
 1265   HD11  ILE 161          HD11      ILE 161 -19.561 -28.277 -28.852
 1266   HD12  ILE 161          HD12      ILE 161 -21.192 -28.777 -29.297
 1267   HD13  ILE 161          HD13      ILE 161 -20.303 -29.664 -28.055
 1268    H    ASP 162           HN       ASP 162 -24.708 -26.719 -30.064
 1269    HA   ASP 162           HA       ASP 162 -24.536 -24.043 -30.860
 1270    HB2  ASP 162           HB2      ASP 162 -25.500 -26.253 -32.037
 1271    HB3  ASP 162           HB1      ASP 162 -27.012 -25.541 -31.557
 1272    H    TRP 163           HN       TRP 163 -26.639 -25.647 -28.556
 1273    HA   TRP 163           HA       TRP 163 -28.231 -23.177 -28.248
 1274    HB2  TRP 163           HB2      TRP 163 -29.653 -24.804 -26.794
 1275    HB3  TRP 163           HB1      TRP 163 -29.733 -24.945 -28.554
 1276    HD1  TRP 163           HD1      TRP 163 -27.263 -26.336 -25.916
 1277    HE1  TRP 163           HE1      TRP 163 -26.929 -28.844 -26.390
 1278    HE3  TRP 163           HE3      TRP 163 -30.375 -26.946 -29.929
 1279    HZ2  TRP 163           HZ2      TRP 163 -27.844 -30.819 -28.150
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.589 -29.180 -30.993
 1281    HH2  TRP 163           HH2      TRP 163 -29.288 -31.101 -30.098
 1282    H    GLY 164           HN       GLY 164 -25.440 -23.774 -27.232
 1283    HA2  GLY 164           HA2      GLY 164 -24.260 -23.103 -25.380
 1284    HA3  GLY 164           HA1      GLY 164 -25.775 -22.528 -24.704
 1285    H    ALA 165           HN       ALA 165 -25.353 -25.929 -25.588
 1286    HA   ALA 165           HA       ALA 165 -25.342 -26.587 -22.679
 1287    HB1  ALA 165           HB1      ALA 165 -27.315 -27.433 -23.937
 1288    HB2  ALA 165           HB2      ALA 165 -26.328 -28.710 -23.234
 1289    HB3  ALA 165           HB3      ALA 165 -26.210 -28.356 -24.949
 1290    H    ALA 166           HN       ALA 166 -23.771 -27.851 -21.871
 1291    HA   ALA 166           HA       ALA 166 -21.396 -28.203 -23.462
 1292    HB1  ALA 166           HB1      ALA 166 -20.477 -29.175 -21.347
 1293    HB2  ALA 166           HB2      ALA 166 -22.068 -28.972 -20.611
 1294    HB3  ALA 166           HB3      ALA 166 -21.153 -27.558 -21.139
 1295    H    SER 167           HN       SER 167 -23.998 -29.770 -23.988
 1296    HA   SER 167           HA       SER 167 -22.827 -32.123 -24.906
 1297    HB2  SER 167           HB2      SER 167 -23.658 -32.170 -22.069
 1298    HB3  SER 167           HB1      SER 167 -24.185 -33.552 -23.022
 1299    HG   SER 167           HG       SER 167 -21.936 -33.437 -21.972
 1300    HA   PRO 168           HA       PRO 168 -26.882 -32.426 -26.749
 1301    HB2  PRO 168           HB2      PRO 168 -26.883 -35.004 -27.644
 1302    HB3  PRO 168           HB1      PRO 168 -25.855 -33.767 -28.371
 1303    HG2  PRO 168           HG2      PRO 168 -25.141 -35.834 -26.363
 1304    HG3  PRO 168           HG1      PRO 168 -24.235 -35.303 -27.784
 1305    HD2  PRO 168           HD2      PRO 168 -23.638 -34.435 -25.255
 1306    HD3  PRO 168           HD1      PRO 168 -23.363 -33.444 -26.702
 1307    H    ALA 169           HN       ALA 169 -26.153 -33.835 -23.841
 1308    HA   ALA 169           HA       ALA 169 -28.355 -35.673 -23.603
 1309    HB1  ALA 169           HB1      ALA 169 -27.582 -35.997 -21.370
 1310    HB2  ALA 169           HB2      ALA 169 -26.708 -34.463 -21.378
 1311    HB3  ALA 169           HB3      ALA 169 -26.137 -35.811 -22.362
 1312    H    VAL 170           HN       VAL 170 -29.879 -33.862 -24.394
 1313    HA   VAL 170           HA       VAL 170 -30.657 -32.026 -22.236
 1314    HB   VAL 170           HB       VAL 170 -31.975 -32.260 -24.941
 1315   HG11  VAL 170          HG11      VAL 170 -32.465 -30.636 -22.709
 1316   HG12  VAL 170          HG12      VAL 170 -33.005 -30.307 -24.348
 1317   HG13  VAL 170          HG13      VAL 170 -31.506 -29.593 -23.759
 1318   HG21  VAL 170          HG21      VAL 170 -29.378 -30.868 -24.234
 1319   HG22  VAL 170          HG22      VAL 170 -30.312 -30.505 -25.687
 1320   HG23  VAL 170          HG23      VAL 170 -29.628 -32.115 -25.457
 1321    H    GLN 171           HN       GLN 171 -33.434 -32.007 -23.228
 1322    HA   GLN 171           HA       GLN 171 -34.432 -34.663 -22.797
 1323    HB2  GLN 171           HB2      GLN 171 -33.858 -33.430 -20.497
 1324    HB3  GLN 171           HB1      GLN 171 -35.451 -32.743 -20.742
 1325    HG2  GLN 171           HG2      GLN 171 -35.884 -34.709 -19.553
 1326    HG3  GLN 171           HG1      GLN 171 -36.201 -35.183 -21.210
 1327   HE21  GLN 171          HE21      GLN 171 -34.373 -36.371 -22.336
 1328   HE22  GLN 171          HE22      GLN 171 -33.311 -37.310 -21.398
 1329    H    SER 172           HN       SER 172 -36.898 -33.015 -21.634
 1330    HA   SER 172           HA       SER 172 -38.080 -32.725 -24.289
 1331    HB2  SER 172           HB2      SER 172 -38.977 -33.928 -22.105
 1332    HB3  SER 172           HB1      SER 172 -39.676 -32.335 -21.829
 1333    HG   SER 172           HG       SER 172 -39.831 -33.449 -24.391
 1334    H    PHE 173           HN       PHE 173 -40.177 -30.943 -23.418
 1335    HA   PHE 173           HA       PHE 173 -39.037 -28.455 -22.664
 1336    HB2  PHE 173           HB2      PHE 173 -39.173 -27.324 -24.854
 1337    HB3  PHE 173           HB1      PHE 173 -37.965 -28.617 -24.853
 1338    HD1  PHE 173           HD1      PHE 173 -41.302 -27.598 -26.046
 1339    HD2  PHE 173           HD2      PHE 173 -38.320 -30.687 -26.060
 1340    HE1  PHE 173           HE1      PHE 173 -42.473 -28.721 -27.919
 1341    HE2  PHE 173           HE2      PHE 173 -39.491 -31.810 -27.933
 1342    HZ   PHE 173           HZ       PHE 173 -41.570 -30.830 -28.860
 1343    H    ARG 174           HN       ARG 174 -40.601 -26.614 -23.626
 1344    HA   ARG 174           HA       ARG 174 -43.339 -27.466 -23.887
 1345    HB2  ARG 174           HB2      ARG 174 -44.038 -26.130 -21.832
 1346    HB3  ARG 174           HB1      ARG 174 -43.315 -27.710 -21.550
 1347    HG2  ARG 174           HG2      ARG 174 -41.292 -26.810 -20.789
 1348    HG3  ARG 174           HG1      ARG 174 -41.537 -25.277 -21.621
 1349    HD2  ARG 174           HD2      ARG 174 -43.169 -26.223 -19.253
 1350    HD3  ARG 174           HD1      ARG 174 -41.831 -25.081 -19.160
 1351    HE   ARG 174           HE       ARG 174 -43.561 -24.043 -21.053
 1352   HH11  ARG 174          HH21      ARG 174 -43.657 -24.977 -17.724
 1353   HH12  ARG 174          HH22      ARG 174 -44.858 -23.806 -17.285
 1354   HH21  ARG 174          HH11      ARG 174 -45.132 -22.503 -20.489
 1355   HH22  ARG 174          HH12      ARG 174 -45.692 -22.406 -18.851
 1356    H    ARG 175           HN       ARG 175 -44.436 -26.008 -25.027
 1357    HA   ARG 175           HA       ARG 175 -43.265 -23.756 -26.151
 1358    HB2  ARG 175           HB2      ARG 175 -45.547 -23.119 -26.809
 1359    HB3  ARG 175           HB1      ARG 175 -45.276 -24.842 -27.064
 1360    HG2  ARG 175           HG2      ARG 175 -46.307 -25.234 -24.778
 1361    HG3  ARG 175           HG1      ARG 175 -46.790 -23.536 -24.796
 1362    HD2  ARG 175           HD2      ARG 175 -48.022 -23.908 -26.903
 1363    HD3  ARG 175           HD1      ARG 175 -47.551 -25.604 -26.877
 1364    HE   ARG 175           HE       ARG 175 -48.917 -24.752 -24.476
 1365   HH11  ARG 175          HH21      ARG 175 -49.233 -25.916 -27.726
 1366   HH12  ARG 175          HH22      ARG 175 -50.799 -26.607 -27.468
 1367   HH21  ARG 175          HH11      ARG 175 -50.966 -25.661 -24.138
 1368   HH22  ARG 175          HH12      ARG 175 -51.780 -26.463 -25.438
 1369    H    ILE 176           HN       ILE 176 -42.887 -21.792 -25.521
 1370    HA   ILE 176           HA       ILE 176 -43.193 -20.961 -22.840
 1371    HB   ILE 176           HB       ILE 176 -42.872 -19.107 -25.209
 1372   HG12  ILE 176          HG12      ILE 176 -40.811 -20.759 -23.723
 1373   HG13  ILE 176          HG11      ILE 176 -41.218 -20.875 -25.432
 1374   HG21  ILE 176          HG21      ILE 176 -41.831 -17.643 -23.630
 1375   HG22  ILE 176          HG22      ILE 176 -41.754 -18.908 -22.403
 1376   HG23  ILE 176          HG23      ILE 176 -43.310 -18.209 -22.853
 1377   HD11  ILE 176          HD11      ILE 176 -39.422 -18.997 -24.084
 1378   HD12  ILE 176          HD12      ILE 176 -40.594 -18.173 -25.099
 1379   HD13  ILE 176          HD13      ILE 176 -39.538 -19.404 -25.791
 1380    H    VAL 177           HN       VAL 177 -44.773 -19.863 -21.793
 1381    HA   VAL 177           HA       VAL 177 -47.032 -18.782 -23.356
 1382    HB   VAL 177           HB       VAL 177 -47.200 -20.771 -21.080
 1383   HG11  VAL 177          HG11      VAL 177 -49.277 -18.909 -22.246
 1384   HG12  VAL 177          HG12      VAL 177 -48.847 -19.136 -20.551
 1385   HG13  VAL 177          HG13      VAL 177 -49.719 -20.401 -21.416
 1386   HG21  VAL 177          HG21      VAL 177 -48.474 -22.080 -22.692
 1387   HG22  VAL 177          HG22      VAL 177 -46.932 -21.630 -23.420
 1388   HG23  VAL 177          HG23      VAL 177 -48.406 -20.766 -23.864
 1389    H    GLU 178           HN       GLU 178 -48.221 -17.178 -22.275
 1390    HA   GLU 178           HA       GLU 178 -47.219 -16.218 -19.686
 1391    HB2  GLU 178           HB2      GLU 178 -46.020 -15.102 -21.733
 1392    HB3  GLU 178           HB1      GLU 178 -47.544 -14.235 -21.925
 1393    HG2  GLU 178           HG2      GLU 178 -45.899 -14.315 -19.381
 1394    HG3  GLU 178           HG1      GLU 178 -45.940 -12.971 -20.519
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1 -40.241   9.270 -26.727
    2    H2   GLY   1           HT2      GLY   1 -40.144  10.947 -26.479
    3    H3   GLY   1           HT3      GLY   1 -41.550  10.100 -26.040
    4    HA2  GLY   1           HA2      GLY   1 -38.912   9.515 -24.828
    5    HA3  GLY   1           HA1      GLY   1 -40.004  10.732 -24.164
    6    H    SER   2           HN       SER   2 -39.406   7.363 -24.621
    7    HA   SER   2           HA       SER   2 -40.634   6.332 -22.448
    8    HB2  SER   2           HB2      SER   2 -42.677   6.983 -24.531
    9    HB3  SER   2           HB1      SER   2 -42.876   5.473 -23.646
   10    HG   SER   2           HG       SER   2 -42.974   6.592 -21.759
   11    H    LYS   3           HN       LYS   3 -42.089   4.943 -25.216
   12    HA   LYS   3           HA       LYS   3 -41.737   2.972 -26.355
   13    HB2  LYS   3           HB2      LYS   3 -38.825   3.701 -25.910
   14    HB3  LYS   3           HB1      LYS   3 -39.402   2.428 -26.988
   15    HG2  LYS   3           HG2      LYS   3 -40.683   4.079 -28.280
   16    HG3  LYS   3           HG1      LYS   3 -40.141   5.360 -27.195
   17    HD2  LYS   3           HD2      LYS   3 -37.784   4.841 -27.812
   18    HD3  LYS   3           HD1      LYS   3 -38.378   3.650 -28.972
   19    HE2  LYS   3           HE2      LYS   3 -39.052   6.606 -28.992
   20    HE3  LYS   3           HE1      LYS   3 -37.910   5.812 -30.077
   21    HZ1  LYS   3           HZ1      LYS   3 -40.045   6.029 -31.140
   22    HZ2  LYS   3           HZ2      LYS   3 -40.815   5.233 -29.849
   23    HZ3  LYS   3           HZ3      LYS   3 -39.729   4.388 -30.847
   24    H    THR   4           HN       THR   4 -40.501   0.757 -26.102
   25    HA   THR   4           HA       THR   4 -39.974  -1.077 -24.811
   26    HB   THR   4           HB       THR   4 -38.815   1.028 -23.378
   27    HG1  THR   4           HG1      THR   4 -37.461  -0.515 -23.145
   28   HG21  THR   4          HG21      THR   4 -40.233  -0.771 -21.392
   29   HG22  THR   4          HG22      THR   4 -40.788   0.863 -21.756
   30   HG23  THR   4          HG23      THR   4 -39.198   0.612 -21.047
   31    H    GLY   5           HN       GLY   5 -40.932  -2.447 -23.122
   32    HA2  GLY   5           HA2      GLY   5 -43.512  -1.583 -22.051
   33    HA3  GLY   5           HA1      GLY   5 -43.543  -2.893 -23.231
   34    H    THR   6           HN       THR   6 -41.056  -4.124 -22.427
   35    HA   THR   6           HA       THR   6 -42.039  -5.642 -20.168
   36    HB   THR   6           HB       THR   6 -40.003  -7.000 -20.539
   37    HG1  THR   6           HG1      THR   6 -38.956  -4.918 -21.411
   38   HG21  THR   6          HG21      THR   6 -41.889  -7.657 -21.823
   39   HG22  THR   6          HG22      THR   6 -40.551  -7.590 -22.970
   40   HG23  THR   6          HG23      THR   6 -41.726  -6.276 -22.909
   41    H    LYS   7           HN       LYS   7 -40.821  -6.031 -18.255
   42    HA   LYS   7           HA       LYS   7 -38.598  -4.345 -17.538
   43    HB2  LYS   7           HB2      LYS   7 -40.122  -2.615 -17.130
   44    HB3  LYS   7           HB1      LYS   7 -41.365  -3.725 -16.558
   45    HG2  LYS   7           HG2      LYS   7 -40.290  -4.054 -14.477
   46    HG3  LYS   7           HG1      LYS   7 -38.761  -3.397 -15.073
   47    HD2  LYS   7           HD2      LYS   7 -39.547  -1.187 -15.021
   48    HD3  LYS   7           HD1      LYS   7 -41.228  -1.683 -14.925
   49    HE2  LYS   7           HE2      LYS   7 -41.007  -2.394 -12.675
   50    HE3  LYS   7           HE1      LYS   7 -39.251  -2.375 -12.747
   51    HZ1  LYS   7           HZ1      LYS   7 -39.336  -0.307 -11.991
   52    HZ2  LYS   7           HZ2      LYS   7 -41.033  -0.277 -12.087
   53    HZ3  LYS   7           HZ3      LYS   7 -40.094   0.171 -13.431
   54    H    ILE   8           HN       ILE   8 -37.650  -4.889 -15.528
   55    HA   ILE   8           HA       ILE   8 -38.825  -7.086 -14.001
   56    HB   ILE   8           HB       ILE   8 -37.499  -8.174 -15.802
   57   HG12  ILE   8          HG12      ILE   8 -36.122  -8.543 -13.133
   58   HG13  ILE   8          HG11      ILE   8 -37.792  -9.059 -13.384
   59   HG21  ILE   8          HG21      ILE   8 -35.172  -6.779 -14.437
   60   HG22  ILE   8          HG22      ILE   8 -35.763  -6.446 -16.067
   61   HG23  ILE   8          HG23      ILE   8 -35.046  -8.010 -15.682
   62   HD11  ILE   8          HD11      ILE   8 -35.938 -10.808 -13.805
   63   HD12  ILE   8          HD12      ILE   8 -35.594  -9.901 -15.279
   64   HD13  ILE   8          HD13      ILE   8 -37.183 -10.632 -15.040
   65    H    THR   9           HN       THR   9 -38.193  -7.192 -11.878
   66    HA   THR   9           HA       THR   9 -36.202  -5.193 -11.007
   67    HB   THR   9           HB       THR   9 -38.734  -5.870  -9.503
   68    HG1  THR   9           HG1      THR   9 -38.946  -3.469 -10.280
   69   HG21  THR   9          HG21      THR   9 -36.622  -4.964  -8.326
   70   HG22  THR   9          HG22      THR   9 -38.125  -4.080  -8.074
   71   HG23  THR   9          HG23      THR   9 -36.924  -3.472  -9.214
   72    H    PHE  10           HN       PHE  10 -34.812  -5.787  -9.447
   73    HA   PHE  10           HA       PHE  10 -35.026  -8.549  -8.394
   74    HB2  PHE  10           HB2      PHE  10 -32.484  -7.027  -8.978
   75    HB3  PHE  10           HB1      PHE  10 -32.638  -8.728  -8.537
   76    HD1  PHE  10           HD2      PHE  10 -33.740 -10.328 -10.145
   77    HD2  PHE  10           HD1      PHE  10 -32.768  -6.290 -11.229
   78    HE1  PHE  10           HE2      PHE  10 -33.964 -10.919 -12.544
   79    HE2  PHE  10           HE1      PHE  10 -32.988  -6.881 -13.627
   80    HZ   PHE  10           HZ       PHE  10 -33.590  -9.193 -14.285
   81    H    TYR  11           HN       TYR  11 -35.452  -8.496  -6.280
   82    HA   TYR  11           HA       TYR  11 -34.695  -6.152  -4.691
   83    HB2  TYR  11           HB2      TYR  11 -36.513  -8.520  -4.230
   84    HB3  TYR  11           HB1      TYR  11 -36.159  -7.331  -2.989
   85    HD1  TYR  11           HD1      TYR  11 -37.752  -7.890  -6.276
   86    HD2  TYR  11           HD2      TYR  11 -37.026  -5.076  -3.111
   87    HE1  TYR  11           HE1      TYR  11 -39.511  -6.405  -7.192
   88    HE2  TYR  11           HE2      TYR  11 -38.791  -3.592  -4.028
   89    HH   TYR  11           HH       TYR  11 -40.374  -3.347  -5.570
   90    H    GLU  12           HN       GLU  12 -33.280  -6.198  -3.086
   91    HA   GLU  12           HA       GLU  12 -31.260  -8.134  -3.044
   92    HB2  GLU  12           HB2      GLU  12 -31.337  -5.682  -2.141
   93    HB3  GLU  12           HB1      GLU  12 -31.837  -6.434  -0.632
   94    HG2  GLU  12           HG2      GLU  12 -29.366  -7.297  -2.170
   95    HG3  GLU  12           HG1      GLU  12 -29.335  -6.054  -0.931
   96    H    ASP  13           HN       ASP  13 -33.943  -7.564  -0.779
   97    HA   ASP  13           HA       ASP  13 -33.445 -10.202   0.420
   98    HB2  ASP  13           HB2      ASP  13 -34.898  -7.753   1.322
   99    HB3  ASP  13           HB1      ASP  13 -35.218  -9.316   2.076
  100    H    LYS  14           HN       LYS  14 -35.761 -10.971   1.293
  101    HA   LYS  14           HA       LYS  14 -37.109 -11.803  -1.135
  102    HB2  LYS  14           HB2      LYS  14 -37.472 -12.563   1.755
  103    HB3  LYS  14           HB1      LYS  14 -38.422 -13.241   0.431
  104    HG2  LYS  14           HG2      LYS  14 -36.733 -14.825   0.521
  105    HG3  LYS  14           HG1      LYS  14 -35.991 -13.706  -0.610
  106    HD2  LYS  14           HD2      LYS  14 -34.259 -14.006   0.922
  107    HD3  LYS  14           HD1      LYS  14 -35.042 -12.582   1.594
  108    HE2  LYS  14           HE2      LYS  14 -36.296 -13.979   3.169
  109    HE3  LYS  14           HE1      LYS  14 -35.585 -15.431   2.466
  110    HZ1  LYS  14           HZ1      LYS  14 -33.438 -13.874   3.038
  111    HZ2  LYS  14           HZ2      LYS  14 -33.999 -15.173   3.980
  112    HZ3  LYS  14           HZ3      LYS  14 -34.472 -13.584   4.351
  113    H    ASN  15           HN       ASN  15 -39.618 -12.193  -0.590
  114    HA   ASN  15           HA       ASN  15 -41.629 -11.116  -0.776
  115    HB2  ASN  15           HB2      ASN  15 -40.684  -9.603   1.661
  116    HB3  ASN  15           HB1      ASN  15 -42.329 -10.056   1.234
  117   HD21  ASN  15          HD21      ASN  15 -40.970 -12.774   0.329
  118   HD22  ASN  15          HD22      ASN  15 -40.877 -13.621   1.799
  119    H    PHE  16           HN       PHE  16 -39.205  -9.772  -1.984
  120    HA   PHE  16           HA       PHE  16 -38.720  -7.868  -3.100
  121    HB2  PHE  16           HB2      PHE  16 -41.490  -6.795  -2.726
  122    HB3  PHE  16           HB1      PHE  16 -40.458  -6.767  -4.161
  123    HD1  PHE  16           HD2      PHE  16 -40.016  -8.899  -5.385
  124    HD2  PHE  16           HD1      PHE  16 -43.034  -8.580  -2.358
  125    HE1  PHE  16           HE2      PHE  16 -41.109 -10.936  -6.259
  126    HE2  PHE  16           HE1      PHE  16 -44.130 -10.623  -3.232
  127    HZ   PHE  16           HZ       PHE  16 -43.167 -11.805  -5.184
  128    H    GLN  17           HN       GLN  17 -38.026  -7.802  -0.442
  129    HA   GLN  17           HA       GLN  17 -38.658  -5.030   0.366
  130    HB2  GLN  17           HB2      GLN  17 -38.439  -5.656   2.635
  131    HB3  GLN  17           HB1      GLN  17 -39.398  -6.941   1.905
  132    HG2  GLN  17           HG2      GLN  17 -37.104  -8.103   1.526
  133    HG3  GLN  17           HG1      GLN  17 -36.512  -6.981   2.751
  134   HE21  GLN  17          HE21      GLN  17 -38.615  -9.778   2.187
  135   HE22  GLN  17          HE22      GLN  17 -38.876 -10.126   3.835
  136    H    GLY  18           HN       GLY  18 -36.960  -3.913   1.477
  137    HA2  GLY  18           HA2      GLY  18 -34.734  -3.291   1.832
  138    HA3  GLY  18           HA1      GLY  18 -34.220  -4.789   1.085
  139    H    ARG  19           HN       ARG  19 -32.691  -3.751  -0.126
  140    HA   ARG  19           HA       ARG  19 -33.075  -1.530  -1.828
  141    HB2  ARG  19           HB2      ARG  19 -30.903  -3.102  -1.217
  142    HB3  ARG  19           HB1      ARG  19 -31.212  -3.589  -2.877
  143    HG2  ARG  19           HG2      ARG  19 -31.170  -1.219  -3.582
  144    HG3  ARG  19           HG1      ARG  19 -30.798  -0.746  -1.921
  145    HD2  ARG  19           HD2      ARG  19 -29.123  -2.663  -3.561
  146    HD3  ARG  19           HD1      ARG  19 -28.763  -0.948  -3.373
  147    HE   ARG  19           HE       ARG  19 -29.040  -1.996  -0.804
  148   HH11  ARG  19          HH21      ARG  19 -27.076  -2.444  -3.609
  149   HH12  ARG  19          HH22      ARG  19 -25.664  -2.910  -2.720
  150   HH21  ARG  19          HH11      ARG  19 -27.200  -2.606   0.378
  151   HH22  ARG  19          HH12      ARG  19 -25.734  -3.001  -0.458
  152    H    ARG  20           HN       ARG  20 -32.846  -1.819  -4.379
  153    HA   ARG  20           HA       ARG  20 -34.039  -4.093  -5.548
  154    HB2  ARG  20           HB2      ARG  20 -36.191  -3.201  -6.176
  155    HB3  ARG  20           HB1      ARG  20 -36.049  -3.080  -4.422
  156    HG2  ARG  20           HG2      ARG  20 -36.616  -0.872  -4.704
  157    HG3  ARG  20           HG1      ARG  20 -34.954  -0.659  -5.250
  158    HD2  ARG  20           HD2      ARG  20 -35.807  -1.276  -7.592
  159    HD3  ARG  20           HD1      ARG  20 -37.428  -1.069  -6.940
  160    HE   ARG  20           HE       ARG  20 -35.504   1.037  -7.488
  161   HH11  ARG  20          HH21      ARG  20 -38.315   0.033  -5.737
  162   HH12  ARG  20          HH22      ARG  20 -38.927   1.639  -5.523
  163   HH21  ARG  20          HH11      ARG  20 -36.299   3.152  -7.207
  164   HH22  ARG  20          HH12      ARG  20 -37.786   3.406  -6.357
  165    H    TYR  21           HN       TYR  21 -34.148  -3.847  -7.889
  166    HA   TYR  21           HA       TYR  21 -32.948  -1.357  -8.953
  167    HB2  TYR  21           HB2      TYR  21 -31.150  -3.063  -8.737
  168    HB3  TYR  21           HB1      TYR  21 -32.102  -4.160  -9.738
  169    HD1  TYR  21           HD1      TYR  21 -30.641  -0.713  -9.730
  170    HD2  TYR  21           HD2      TYR  21 -31.923  -4.068 -12.086
  171    HE1  TYR  21           HE1      TYR  21 -29.733   0.370 -11.764
  172    HE2  TYR  21           HE2      TYR  21 -31.019  -2.982 -14.122
  173    HH   TYR  21           HH       TYR  21 -30.075  -1.159 -14.967
  174    H    ASP  22           HN       ASP  22 -33.907  -0.661 -10.808
  175    HA   ASP  22           HA       ASP  22 -36.037  -2.369 -11.965
  176    HB2  ASP  22           HB2      ASP  22 -36.820  -0.203 -11.183
  177    HB3  ASP  22           HB1      ASP  22 -35.586   0.622 -12.131
  178    H    CYS  23           HN       CYS  23 -36.245  -2.495 -14.280
  179    HA   CYS  23           HA       CYS  23 -34.234  -1.429 -16.000
  180    HB2  CYS  23           HB2      CYS  23 -33.890  -4.210 -16.517
  181    HB3  CYS  23           HB1      CYS  23 -32.689  -3.087 -15.889
  182    HG   CYS  23           HG       CYS  23 -34.637  -4.548 -13.929
  183    H    ASP  24           HN       ASP  24 -35.177  -1.074 -17.881
  184    HA   ASP  24           HA       ASP  24 -37.366  -2.861 -18.743
  185    HB2  ASP  24           HB2      ASP  24 -38.668  -1.034 -19.456
  186    HB3  ASP  24           HB1      ASP  24 -38.069  -0.557 -17.873
  187    H    CYS  25           HN       CYS  25 -34.333  -2.284 -19.358
  188    HA   CYS  25           HA       CYS  25 -34.631  -2.813 -22.225
  189    HB2  CYS  25           HB2      CYS  25 -34.427  -0.274 -21.826
  190    HB3  CYS  25           HB1      CYS  25 -32.760  -0.608 -21.359
  191    HG   CYS  25           HG       CYS  25 -32.336  -1.573 -23.761
  192    H    ASP  26           HN       ASP  26 -32.855  -3.887 -23.125
  193    HA   ASP  26           HA       ASP  26 -31.481  -5.732 -21.731
  194    HB2  ASP  26           HB2      ASP  26 -29.776  -5.725 -23.505
  195    HB3  ASP  26           HB1      ASP  26 -31.395  -5.544 -24.181
  196    H    CYS  27           HN       CYS  27 -29.338  -5.928 -20.870
  197    HA   CYS  27           HA       CYS  27 -27.819  -3.523 -20.284
  198    HB2  CYS  27           HB2      CYS  27 -27.973  -4.336 -17.720
  199    HB3  CYS  27           HB1      CYS  27 -29.104  -3.168 -18.400
  200    HG   CYS  27           HG       CYS  27 -30.648  -5.385 -18.936
  201    H    ALA  28           HN       ALA  28 -25.771  -4.042 -19.175
  202    HA   ALA  28           HA       ALA  28 -24.777  -6.661 -20.056
  203    HB1  ALA  28           HB1      ALA  28 -23.470  -4.714 -20.689
  204    HB2  ALA  28           HB2      ALA  28 -22.551  -5.679 -19.535
  205    HB3  ALA  28           HB3      ALA  28 -23.357  -4.203 -19.004
  206    H    ASP  29           HN       ASP  29 -24.504  -4.633 -17.142
  207    HA   ASP  29           HA       ASP  29 -24.855  -6.967 -15.424
  208    HB2  ASP  29           HB2      ASP  29 -22.760  -6.608 -14.201
  209    HB3  ASP  29           HB1      ASP  29 -22.437  -6.993 -15.891
  210    H    PHE  30           HN       PHE  30 -26.339  -6.296 -14.053
  211    HA   PHE  30           HA       PHE  30 -26.299  -3.501 -13.088
  212    HB2  PHE  30           HB2      PHE  30 -28.597  -3.600 -12.883
  213    HB3  PHE  30           HB1      PHE  30 -28.380  -4.776 -14.177
  214    HD1  PHE  30           HD2      PHE  30 -28.270  -7.246 -13.580
  215    HD2  PHE  30           HD1      PHE  30 -29.449  -4.236 -10.769
  216    HE1  PHE  30           HE2      PHE  30 -29.291  -8.991 -12.139
  217    HE2  PHE  30           HE1      PHE  30 -30.467  -5.966  -9.333
  218    HZ   PHE  30           HZ       PHE  30 -30.401  -8.350 -10.018
  219    H    HIS  31           HN       HIS  31 -24.922  -6.230 -12.212
  220    HA   HIS  31           HA       HIS  31 -25.766  -6.785  -9.593
  221    HB2  HIS  31           HB2      HIS  31 -24.211  -8.213 -10.911
  222    HB3  HIS  31           HB1      HIS  31 -22.948  -7.004 -10.656
  223    HD2  HIS  31           HD2      HIS  31 -21.890  -6.928  -8.022
  224    HE1  HIS  31           HE1      HIS  31 -24.147 -10.170  -6.530
  225    HE2  HIS  31           HE2      HIS  31 -22.231  -8.581  -6.028
  226    H    THR  32           HN       THR  32 -23.773  -4.278 -10.909
  227    HA   THR  32           HA       THR  32 -22.480  -3.440  -8.555
  228    HB   THR  32           HB       THR  32 -22.266  -1.238  -9.671
  229    HG1  THR  32           HG1      THR  32 -24.502  -1.943 -10.764
  230   HG21  THR  32          HG21      THR  32 -20.727  -3.044 -10.260
  231   HG22  THR  32          HG22      THR  32 -21.097  -2.084 -11.692
  232   HG23  THR  32          HG23      THR  32 -21.870  -3.654 -11.457
  233    H    TYR  33           HN       TYR  33 -25.738  -2.921  -9.718
  234    HA   TYR  33           HA       TYR  33 -26.329  -0.917  -7.687
  235    HB2  TYR  33           HB2      TYR  33 -28.099  -2.285  -9.714
  236    HB3  TYR  33           HB1      TYR  33 -28.587  -0.964  -8.656
  237    HD1  TYR  33           HD2      TYR  33 -27.137   1.209  -8.737
  238    HD2  TYR  33           HD1      TYR  33 -27.130  -1.798 -11.794
  239    HE1  TYR  33           HE2      TYR  33 -26.195   2.847 -10.345
  240    HE2  TYR  33           HE1      TYR  33 -26.183  -0.169 -13.404
  241    HH   TYR  33           HH       TYR  33 -25.626   1.955 -13.747
  242    H    LEU  34           HN       LEU  34 -26.336  -4.308  -7.914
  243    HA   LEU  34           HA       LEU  34 -27.790  -4.489  -5.367
  244    HB2  LEU  34           HB2      LEU  34 -29.313  -4.955  -7.404
  245    HB3  LEU  34           HB1      LEU  34 -28.388  -6.439  -7.583
  246    HG   LEU  34           HG       LEU  34 -28.932  -6.997  -5.207
  247   HD11  LEU  34          HD11      LEU  34 -29.543  -5.161  -3.983
  248   HD12  LEU  34          HD12      LEU  34 -31.161  -5.579  -4.532
  249   HD13  LEU  34          HD13      LEU  34 -30.245  -4.326  -5.370
  250   HD21  LEU  34          HD21      LEU  34 -30.268  -8.056  -6.876
  251   HD22  LEU  34          HD22      LEU  34 -31.152  -6.564  -7.192
  252   HD23  LEU  34          HD23      LEU  34 -31.411  -7.432  -5.683
  253    H    SER  35           HN       SER  35 -26.967  -5.985  -3.984
  254    HA   SER  35           HA       SER  35 -24.528  -7.389  -4.882
  255    HB2  SER  35           HB2      SER  35 -25.559  -6.492  -2.203
  256    HB3  SER  35           HB1      SER  35 -24.279  -7.697  -2.325
  257    HG   SER  35           HG       SER  35 -22.993  -6.077  -2.640
  258    H    ARG  36           HN       ARG  36 -27.790  -7.989  -4.301
  259    HA   ARG  36           HA       ARG  36 -27.363 -10.858  -4.449
  260    HB2  ARG  36           HB2      ARG  36 -27.320 -10.173  -1.961
  261    HB3  ARG  36           HB1      ARG  36 -29.037  -9.836  -2.162
  262    HG2  ARG  36           HG2      ARG  36 -29.326 -12.178  -3.036
  263    HG3  ARG  36           HG1      ARG  36 -27.646 -12.488  -2.600
  264    HD2  ARG  36           HD2      ARG  36 -29.795 -11.559  -0.677
  265    HD3  ARG  36           HD1      ARG  36 -29.214 -13.215  -0.814
  266    HE   ARG  36           HE       ARG  36 -27.833 -10.989   0.442
  267   HH11  ARG  36          HH21      ARG  36 -27.623 -14.126  -1.003
  268   HH12  ARG  36          HH22      ARG  36 -26.152 -14.555  -0.192
  269   HH21  ARG  36          HH11      ARG  36 -25.901 -11.547   1.512
  270   HH22  ARG  36          HH12      ARG  36 -25.179 -13.096   1.230
  271    H    CYS  37           HN       CYS  37 -29.104 -11.941  -5.296
  272    HA   CYS  37           HA       CYS  37 -31.371 -10.238  -6.168
  273    HB2  CYS  37           HB2      CYS  37 -30.673 -12.858  -7.440
  274    HB3  CYS  37           HB1      CYS  37 -31.408 -11.428  -8.161
  275    HG   CYS  37           HG       CYS  37 -28.410 -11.961  -7.897
  276    H    ASN  38           HN       ASN  38 -32.910 -10.488  -4.703
  277    HA   ASN  38           HA       ASN  38 -33.900 -13.220  -4.169
  278    HB2  ASN  38           HB2      ASN  38 -33.753 -10.886  -2.259
  279    HB3  ASN  38           HB1      ASN  38 -34.604 -12.386  -1.941
  280   HD21  ASN  38          HD21      ASN  38 -32.633 -11.827  -0.145
  281   HD22  ASN  38          HD22      ASN  38 -31.257 -12.787  -0.426
  282    H    SER  39           HN       SER  39 -36.167 -13.302  -3.862
  283    HA   SER  39           HA       SER  39 -38.192 -12.950  -4.870
  284    HB2  SER  39           HB2      SER  39 -39.286 -10.895  -3.848
  285    HB3  SER  39           HB1      SER  39 -38.628 -12.078  -2.748
  286    HG   SER  39           HG       SER  39 -38.081  -9.688  -2.517
  287    H    ILE  40           HN       ILE  40 -39.061 -12.388  -6.667
  288    HA   ILE  40           HA       ILE  40 -38.259  -9.868  -8.015
  289    HB   ILE  40           HB       ILE  40 -37.892 -12.662  -9.063
  290   HG12  ILE  40          HG12      ILE  40 -36.024 -10.316  -9.415
  291   HG13  ILE  40          HG11      ILE  40 -36.042 -11.192  -7.888
  292   HG21  ILE  40          HG21      ILE  40 -38.325 -10.121 -10.619
  293   HG22  ILE  40          HG22      ILE  40 -39.043 -11.709 -10.881
  294   HG23  ILE  40          HG23      ILE  40 -37.348 -11.429 -11.283
  295   HD11  ILE  40          HD11      ILE  40 -35.779 -13.325  -9.388
  296   HD12  ILE  40          HD12      ILE  40 -34.374 -12.300  -9.130
  297   HD13  ILE  40          HD13      ILE  40 -35.283 -12.180 -10.635
  298    H    LYS  41           HN       LYS  41 -39.741  -9.012  -9.382
  299    HA   LYS  41           HA       LYS  41 -42.098 -10.527 -10.201
  300    HB2  LYS  41           HB2      LYS  41 -43.569  -8.600  -9.283
  301    HB3  LYS  41           HB1      LYS  41 -43.031  -9.863  -8.180
  302    HG2  LYS  41           HG2      LYS  41 -41.413  -8.509  -7.210
  303    HG3  LYS  41           HG1      LYS  41 -41.384  -7.386  -8.541
  304    HD2  LYS  41           HD2      LYS  41 -42.568  -6.594  -6.406
  305    HD3  LYS  41           HD1      LYS  41 -43.450  -6.406  -7.917
  306    HE2  LYS  41           HE2      LYS  41 -44.918  -8.152  -7.434
  307    HE3  LYS  41           HE1      LYS  41 -43.813  -8.917  -6.289
  308    HZ1  LYS  41           HZ1      LYS  41 -45.065  -6.265  -5.827
  309    HZ2  LYS  41           HZ2      LYS  41 -44.215  -7.218  -4.708
  310    HZ3  LYS  41           HZ3      LYS  41 -45.737  -7.718  -5.271
  311    H    VAL  42           HN       VAL  42 -41.855 -10.132 -12.345
  312    HA   VAL  42           HA       VAL  42 -40.905  -7.720 -13.377
  313    HB   VAL  42           HB       VAL  42 -42.299 -10.162 -14.428
  314   HG11  VAL  42          HG11      VAL  42 -43.321  -8.676 -15.884
  315   HG12  VAL  42          HG12      VAL  42 -41.839  -9.012 -16.754
  316   HG13  VAL  42          HG13      VAL  42 -42.007  -7.535 -15.842
  317   HG21  VAL  42          HG21      VAL  42 -39.672  -8.874 -15.221
  318   HG22  VAL  42          HG22      VAL  42 -40.221 -10.500 -15.614
  319   HG23  VAL  42          HG23      VAL  42 -39.818 -10.083 -13.948
  320    H    GLU  43           HN       GLU  43 -41.977  -6.087 -14.422
  321    HA   GLU  43           HA       GLU  43 -44.852  -5.773 -13.801
  322    HB2  GLU  43           HB2      GLU  43 -42.657  -3.697 -13.895
  323    HB3  GLU  43           HB1      GLU  43 -44.369  -3.352 -13.666
  324    HG2  GLU  43           HG2      GLU  43 -44.366  -4.807 -11.652
  325    HG3  GLU  43           HG1      GLU  43 -42.636  -5.053 -11.863
  326    H    GLY  44           HN       GLY  44 -44.142  -7.063 -16.128
  327    HA2  GLY  44           HA2      GLY  44 -45.231  -5.288 -18.114
  328    HA3  GLY  44           HA1      GLY  44 -43.528  -5.613 -18.384
  329    H    GLY  45           HN       GLY  45 -42.873  -7.642 -19.108
  330    HA2  GLY  45           HA2      GLY  45 -44.962  -9.678 -19.604
  331    HA3  GLY  45           HA1      GLY  45 -43.975  -9.088 -20.938
  332    H    THR  46           HN       THR  46 -42.814 -10.934 -21.418
  333    HA   THR  46           HA       THR  46 -41.606 -12.526 -19.336
  334    HB   THR  46           HB       THR  46 -41.269 -12.625 -22.341
  335    HG1  THR  46           HG1      THR  46 -43.343 -13.109 -21.810
  336   HG21  THR  46          HG21      THR  46 -40.603 -15.043 -21.693
  337   HG22  THR  46          HG22      THR  46 -40.324 -14.384 -20.083
  338   HG23  THR  46          HG23      THR  46 -39.409 -13.769 -21.460
  339    H    TRP  47           HN       TRP  47 -39.254 -13.075 -19.459
  340    HA   TRP  47           HA       TRP  47 -37.466 -11.001 -20.431
  341    HB2  TRP  47           HB2      TRP  47 -38.256 -11.276 -17.582
  342    HB3  TRP  47           HB1      TRP  47 -36.540 -11.015 -17.886
  343    HD1  TRP  47           HD1      TRP  47 -39.758  -9.271 -17.610
  344    HE1  TRP  47           HE1      TRP  47 -39.457  -6.774 -18.173
  345    HE3  TRP  47           HE3      TRP  47 -35.149  -9.398 -19.785
  346    HZ2  TRP  47           HZ2      TRP  47 -37.566  -5.075 -19.473
  347    HZ3  TRP  47           HZ3      TRP  47 -34.120  -7.319 -20.671
  348    HH2  TRP  47           HH2      TRP  47 -35.326  -5.166 -20.521
  349    H    ALA  48           HN       ALA  48 -35.276 -11.538 -20.217
  350    HA   ALA  48           HA       ALA  48 -34.726 -14.417 -19.748
  351    HB1  ALA  48           HB1      ALA  48 -32.753 -13.974 -21.301
  352    HB2  ALA  48           HB2      ALA  48 -33.537 -12.450 -21.718
  353    HB3  ALA  48           HB3      ALA  48 -34.343 -13.983 -22.053
  354    H    VAL  49           HN       VAL  49 -33.574 -14.732 -17.949
  355    HA   VAL  49           HA       VAL  49 -31.763 -12.576 -17.001
  356    HB   VAL  49           HB       VAL  49 -32.162 -13.698 -14.732
  357   HG11  VAL  49          HG11      VAL  49 -34.211 -12.440 -14.351
  358   HG12  VAL  49          HG12      VAL  49 -34.579 -12.445 -16.076
  359   HG13  VAL  49          HG13      VAL  49 -33.200 -11.527 -15.472
  360   HG21  VAL  49          HG21      VAL  49 -34.542 -14.839 -16.232
  361   HG22  VAL  49          HG22      VAL  49 -34.205 -15.012 -14.510
  362   HG23  VAL  49          HG23      VAL  49 -33.155 -15.784 -15.690
  363    H    TYR  50           HN       TYR  50 -29.696 -13.040 -16.755
  364    HA   TYR  50           HA       TYR  50 -28.749 -15.766 -17.240
  365    HB2  TYR  50           HB2      TYR  50 -27.302 -13.114 -17.033
  366    HB3  TYR  50           HB1      TYR  50 -26.536 -14.660 -17.401
  367    HD1  TYR  50           HD1      TYR  50 -29.304 -12.418 -18.533
  368    HD2  TYR  50           HD2      TYR  50 -26.415 -15.396 -19.645
  369    HE1  TYR  50           HE1      TYR  50 -29.922 -12.126 -20.914
  370    HE2  TYR  50           HE2      TYR  50 -27.034 -15.098 -22.030
  371    HH   TYR  50           HH       TYR  50 -29.074 -14.297 -23.312
  372    H    GLU  51           HN       GLU  51 -26.687 -16.235 -15.867
  373    HA   GLU  51           HA       GLU  51 -27.478 -15.936 -13.028
  374    HB2  GLU  51           HB2      GLU  51 -27.145 -18.212 -14.070
  375    HB3  GLU  51           HB1      GLU  51 -25.434 -17.814 -14.206
  376    HG2  GLU  51           HG2      GLU  51 -25.404 -17.349 -11.746
  377    HG3  GLU  51           HG1      GLU  51 -27.068 -17.919 -11.655
  378    H    ARG  52           HN       ARG  52 -24.836 -15.511 -15.313
  379    HA   ARG  52           HA       ARG  52 -23.307 -14.017 -13.258
  380    HB2  ARG  52           HB2      ARG  52 -22.248 -15.529 -15.666
  381    HB3  ARG  52           HB1      ARG  52 -21.273 -14.656 -14.482
  382    HG2  ARG  52           HG2      ARG  52 -22.084 -16.141 -12.695
  383    HG3  ARG  52           HG1      ARG  52 -23.100 -16.995 -13.853
  384    HD2  ARG  52           HD2      ARG  52 -20.818 -17.337 -15.148
  385    HD3  ARG  52           HD1      ARG  52 -20.111 -17.037 -13.563
  386    HE   ARG  52           HE       ARG  52 -22.023 -18.908 -13.051
  387   HH11  ARG  52          HH21      ARG  52 -19.450 -18.615 -15.333
  388   HH12  ARG  52          HH22      ARG  52 -19.157 -20.319 -15.438
  389   HH21  ARG  52          HH11      ARG  52 -21.652 -21.149 -13.173
  390   HH22  ARG  52          HH12      ARG  52 -20.406 -21.758 -14.212
  391    HA   PRO  53           HA       PRO  53 -23.759 -10.469 -15.883
  392    HB2  PRO  53           HB2      PRO  53 -21.418  -9.107 -15.332
  393    HB3  PRO  53           HB1      PRO  53 -22.807  -9.162 -14.227
  394    HG2  PRO  53           HG2      PRO  53 -20.311 -10.810 -14.202
  395    HG3  PRO  53           HG1      PRO  53 -21.150 -10.024 -12.851
  396    HD2  PRO  53           HD2      PRO  53 -21.434 -12.659 -13.321
  397    HD3  PRO  53           HD1      PRO  53 -22.800 -11.684 -12.737
  398    H    ASN  54           HN       ASN  54 -22.972  -9.482 -17.767
  399    HA   ASN  54           HA       ASN  54 -21.773  -9.266 -19.720
  400    HB2  ASN  54           HB2      ASN  54 -20.058 -11.644 -19.039
  401    HB3  ASN  54           HB1      ASN  54 -19.679 -10.251 -20.046
  402   HD21  ASN  54          HD21      ASN  54 -20.577  -8.181 -18.283
  403   HD22  ASN  54          HD22      ASN  54 -19.553  -8.157 -16.929
  404    H    PHE  55           HN       PHE  55 -23.592 -11.830 -18.637
  405    HA   PHE  55           HA       PHE  55 -25.094 -13.094 -19.815
  406    HB2  PHE  55           HB2      PHE  55 -23.531 -12.702 -22.373
  407    HB3  PHE  55           HB1      PHE  55 -25.214 -13.179 -22.171
  408    HD1  PHE  55           HD2      PHE  55 -26.572 -11.436 -20.547
  409    HD2  PHE  55           HD1      PHE  55 -23.234 -10.488 -23.088
  410    HE1  PHE  55           HE2      PHE  55 -27.292  -9.068 -20.619
  411    HE2  PHE  55           HE1      PHE  55 -23.956  -8.122 -23.153
  412    HZ   PHE  55           HZ       PHE  55 -25.985  -7.412 -21.929
  413    H    ALA  56           HN       ALA  56 -23.635 -14.385 -18.287
  414    HA   ALA  56           HA       ALA  56 -22.784 -16.769 -19.774
  415    HB1  ALA  56           HB1      ALA  56 -20.999 -15.248 -17.869
  416    HB2  ALA  56           HB2      ALA  56 -20.667 -15.694 -19.544
  417    HB3  ALA  56           HB3      ALA  56 -20.731 -16.939 -18.297
  418    H    GLY  57           HN       GLY  57 -22.334 -18.613 -18.224
  419    HA2  GLY  57           HA2      GLY  57 -22.790 -19.837 -16.287
  420    HA3  GLY  57           HA1      GLY  57 -23.587 -18.425 -15.604
  421    H    TYR  58           HN       TYR  58 -25.253 -19.919 -14.913
  422    HA   TYR  58           HA       TYR  58 -26.822 -21.419 -16.735
  423    HB2  TYR  58           HB2      TYR  58 -27.244 -20.441 -13.919
  424    HB3  TYR  58           HB1      TYR  58 -28.572 -21.189 -14.794
  425    HD1  TYR  58           HD1      TYR  58 -24.869 -21.835 -14.498
  426    HD2  TYR  58           HD2      TYR  58 -28.851 -23.429 -14.213
  427    HE1  TYR  58           HE1      TYR  58 -23.938 -24.065 -13.976
  428    HE2  TYR  58           HE2      TYR  58 -27.915 -25.658 -13.682
  429    HH   TYR  58           HH       TYR  58 -25.813 -26.902 -14.034
  430    H    MET  59           HN       MET  59 -28.978 -20.986 -17.440
  431    HA   MET  59           HA       MET  59 -29.657 -18.105 -17.656
  432    HB2  MET  59           HB2      MET  59 -30.177 -20.019 -19.924
  433    HB3  MET  59           HB1      MET  59 -29.980 -18.267 -19.964
  434    HG2  MET  59           HG2      MET  59 -27.577 -18.535 -19.428
  435    HG3  MET  59           HG1      MET  59 -27.779 -20.286 -19.427
  436    HE1  MET  59           HE1      MET  59 -27.822 -17.366 -22.911
  437    HE2  MET  59           HE2      MET  59 -26.681 -17.350 -21.569
  438    HE3  MET  59           HE3      MET  59 -28.395 -17.078 -21.263
  439    H    TYR  60           HN       TYR  60 -31.809 -17.623 -17.466
  440    HA   TYR  60           HA       TYR  60 -33.766 -19.766 -17.600
  441    HB2  TYR  60           HB2      TYR  60 -33.168 -19.808 -15.233
  442    HB3  TYR  60           HB1      TYR  60 -33.406 -18.071 -15.118
  443    HD1  TYR  60           HD1      TYR  60 -35.610 -20.542 -16.943
  444    HD2  TYR  60           HD2      TYR  60 -35.176 -17.921 -13.556
  445    HE1  TYR  60           HE1      TYR  60 -37.976 -20.869 -16.400
  446    HE2  TYR  60           HE2      TYR  60 -37.571 -18.274 -13.010
  447    HH   TYR  60           HH       TYR  60 -39.320 -20.134 -13.479
  448    H    ILE  61           HN       ILE  61 -35.831 -19.067 -18.110
  449    HA   ILE  61           HA       ILE  61 -35.994 -16.240 -18.972
  450    HB   ILE  61           HB       ILE  61 -37.578 -18.696 -19.775
  451   HG12  ILE  61          HG12      ILE  61 -36.523 -18.146 -22.012
  452   HG13  ILE  61          HG11      ILE  61 -35.527 -16.957 -21.176
  453   HG21  ILE  61          HG21      ILE  61 -37.893 -15.774 -20.451
  454   HG22  ILE  61          HG22      ILE  61 -39.123 -16.913 -19.901
  455   HG23  ILE  61          HG23      ILE  61 -38.471 -17.040 -21.534
  456   HD11  ILE  61          HD11      ILE  61 -35.539 -19.730 -20.049
  457   HD12  ILE  61          HD12      ILE  61 -34.227 -18.555 -20.156
  458   HD13  ILE  61          HD13      ILE  61 -34.700 -19.480 -21.578
  459    H    LEU  62           HN       LEU  62 -36.618 -15.271 -16.985
  460    HA   LEU  62           HA       LEU  62 -38.722 -16.345 -15.396
  461    HB2  LEU  62           HB2      LEU  62 -36.816 -14.191 -15.237
  462    HB3  LEU  62           HB1      LEU  62 -38.411 -13.532 -14.878
  463    HG   LEU  62           HG       LEU  62 -37.356 -16.056 -13.557
  464   HD11  LEU  62          HD11      LEU  62 -37.012 -13.168 -12.775
  465   HD12  LEU  62          HD12      LEU  62 -35.781 -14.418 -12.899
  466   HD13  LEU  62          HD13      LEU  62 -36.954 -14.467 -11.583
  467   HD21  LEU  62          HD21      LEU  62 -39.273 -16.023 -12.329
  468   HD22  LEU  62          HD22      LEU  62 -39.916 -15.030 -13.633
  469   HD23  LEU  62          HD23      LEU  62 -39.283 -14.266 -12.173
  470    HA   PRO  63           HA       PRO  63 -41.802 -14.518 -18.200
  471    HB2  PRO  63           HB2      PRO  63 -43.953 -15.994 -17.497
  472    HB3  PRO  63           HB1      PRO  63 -42.627 -16.666 -18.468
  473    HG2  PRO  63           HG2      PRO  63 -43.226 -17.037 -15.573
  474    HG3  PRO  63           HG1      PRO  63 -42.565 -18.191 -16.744
  475    HD2  PRO  63           HD2      PRO  63 -41.054 -16.713 -14.883
  476    HD3  PRO  63           HD1      PRO  63 -40.414 -17.554 -16.302
  477    H    GLN  64           HN       GLN  64 -43.821 -13.292 -17.970
  478    HA   GLN  64           HA       GLN  64 -43.819 -11.426 -15.913
  479    HB2  GLN  64           HB2      GLN  64 -45.133 -11.547 -18.209
  480    HB3  GLN  64           HB1      GLN  64 -46.423 -12.209 -17.207
  481    HG2  GLN  64           HG2      GLN  64 -45.074  -9.517 -16.934
  482    HG3  GLN  64           HG1      GLN  64 -46.765  -9.838 -17.290
  483   HE21  GLN  64          HE21      GLN  64 -44.644  -9.098 -14.743
  484   HE22  GLN  64          HE22      GLN  64 -45.644  -9.571 -13.458
  485    H    GLY  65           HN       GLY  65 -44.116 -11.757 -13.791
  486    HA2  GLY  65           HA2      GLY  65 -46.435 -12.724 -12.619
  487    HA3  GLY  65           HA1      GLY  65 -45.330 -14.091 -12.710
  488    H    GLU  66           HN       GLU  66 -45.956 -13.512 -10.242
  489    HA   GLU  66           HA       GLU  66 -43.955 -11.660  -9.144
  490    HB2  GLU  66           HB2      GLU  66 -46.359 -12.999  -7.900
  491    HB3  GLU  66           HB1      GLU  66 -45.211 -11.989  -7.016
  492    HG2  GLU  66           HG2      GLU  66 -45.697 -10.097  -8.489
  493    HG3  GLU  66           HG1      GLU  66 -46.789 -11.101  -9.441
  494    H    TYR  67           HN       TYR  67 -42.575 -12.323  -7.447
  495    HA   TYR  67           HA       TYR  67 -42.303 -15.187  -6.938
  496    HB2  TYR  67           HB2      TYR  67 -39.958 -13.587  -7.997
  497    HB3  TYR  67           HB1      TYR  67 -39.947 -15.260  -7.500
  498    HD1  TYR  67           HD1      TYR  67 -41.630 -12.969  -9.985
  499    HD2  TYR  67           HD2      TYR  67 -40.498 -16.989  -9.000
  500    HE1  TYR  67           HE1      TYR  67 -42.413 -13.715 -12.185
  501    HE2  TYR  67           HE2      TYR  67 -41.290 -17.741 -11.213
  502    HH   TYR  67           HH       TYR  67 -42.069 -15.569 -13.730
  503    HA   PRO  68           HA       PRO  68 -41.817 -12.537  -3.178
  504    HB2  PRO  68           HB2      PRO  68 -42.654 -14.459  -1.385
  505    HB3  PRO  68           HB1      PRO  68 -43.735 -13.341  -2.234
  506    HG2  PRO  68           HG2      PRO  68 -43.084 -16.186  -2.849
  507    HG3  PRO  68           HG1      PRO  68 -44.641 -15.339  -2.936
  508    HD2  PRO  68           HD2      PRO  68 -43.167 -15.873  -5.130
  509    HD3  PRO  68           HD1      PRO  68 -44.180 -14.416  -5.020
  510    H    GLU  69           HN       GLU  69 -40.352 -15.458  -4.134
  511    HA   GLU  69           HA       GLU  69 -38.067 -14.855  -2.413
  512    HB2  GLU  69           HB2      GLU  69 -39.558 -17.495  -2.333
  513    HB3  GLU  69           HB1      GLU  69 -37.933 -17.257  -1.691
  514    HG2  GLU  69           HG2      GLU  69 -38.811 -15.475  -0.196
  515    HG3  GLU  69           HG1      GLU  69 -40.428 -15.769  -0.818
  516    H    TYR  70           HN       TYR  70 -36.152 -16.114  -3.077
  517    HA   TYR  70           HA       TYR  70 -35.877 -16.131  -5.884
  518    HB2  TYR  70           HB2      TYR  70 -33.665 -17.189  -5.420
  519    HB3  TYR  70           HB1      TYR  70 -33.957 -15.741  -4.456
  520    HD1  TYR  70           HD2      TYR  70 -34.682 -15.949  -2.076
  521    HD2  TYR  70           HD1      TYR  70 -33.442 -19.343  -4.398
  522    HE1  TYR  70           HE2      TYR  70 -34.396 -17.260   0.002
  523    HE2  TYR  70           HE1      TYR  70 -33.154 -20.660  -2.314
  524    HH   TYR  70           HH       TYR  70 -33.035 -20.527  -0.057
  525    H    GLN  71           HN       GLN  71 -35.942 -18.831  -3.577
  526    HA   GLN  71           HA       GLN  71 -35.706 -21.018  -5.205
  527    HB2  GLN  71           HB2      GLN  71 -37.346 -22.168  -3.606
  528    HB3  GLN  71           HB1      GLN  71 -35.885 -21.458  -2.913
  529    HG2  GLN  71           HG2      GLN  71 -37.128 -19.448  -2.288
  530    HG3  GLN  71           HG1      GLN  71 -38.586 -20.095  -3.040
  531   HE21  GLN  71          HE21      GLN  71 -36.138 -21.616  -0.867
  532   HE22  GLN  71          HE22      GLN  71 -37.280 -22.134   0.285
  533    H    ARG  72           HN       ARG  72 -38.082 -18.704  -5.527
  534    HA   ARG  72           HA       ARG  72 -40.219 -20.360  -6.467
  535    HB2  ARG  72           HB2      ARG  72 -39.659 -17.428  -6.898
  536    HB3  ARG  72           HB1      ARG  72 -41.206 -18.228  -7.161
  537    HG2  ARG  72           HG2      ARG  72 -39.842 -18.312  -4.471
  538    HG3  ARG  72           HG1      ARG  72 -40.846 -16.944  -4.936
  539    HD2  ARG  72           HD2      ARG  72 -41.735 -19.837  -4.847
  540    HD3  ARG  72           HD1      ARG  72 -42.170 -18.580  -3.697
  541    HE   ARG  72           HE       ARG  72 -42.904 -17.600  -6.176
  542   HH11  ARG  72          HH21      ARG  72 -43.572 -20.357  -4.206
  543   HH12  ARG  72          HH22      ARG  72 -45.193 -20.552  -4.784
  544   HH21  ARG  72          HH11      ARG  72 -45.016 -17.838  -6.944
  545   HH22  ARG  72          HH12      ARG  72 -46.014 -19.120  -6.340
  546    H    TRP  73           HN       TRP  73 -37.216 -19.653  -7.752
  547    HA   TRP  73           HA       TRP  73 -38.198 -19.930 -10.561
  548    HB2  TRP  73           HB2      TRP  73 -36.111 -18.772 -11.255
  549    HB3  TRP  73           HB1      TRP  73 -37.157 -17.760 -10.267
  550    HD1  TRP  73           HD1      TRP  73 -35.416 -20.228  -8.132
  551    HE1  TRP  73           HE1      TRP  73 -33.483 -19.164  -6.897
  552    HE3  TRP  73           HE3      TRP  73 -35.114 -15.873 -10.721
  553    HZ2  TRP  73           HZ2      TRP  73 -31.980 -16.742  -6.978
  554    HZ3  TRP  73           HZ3      TRP  73 -33.401 -14.191 -10.120
  555    HH2  TRP  73           HH2      TRP  73 -31.832 -14.629  -8.256
  556    H    MET  74           HN       MET  74 -37.448 -21.954  -8.456
  557    HA   MET  74           HA       MET  74 -36.670 -24.116  -8.621
  558    HB2  MET  74           HB2      MET  74 -34.948 -23.224 -10.952
  559    HB3  MET  74           HB1      MET  74 -35.161 -24.865 -10.378
  560    HG2  MET  74           HG2      MET  74 -37.483 -23.163 -11.284
  561    HG3  MET  74           HG1      MET  74 -36.585 -24.220 -12.374
  562    HE1  MET  74           HE1      MET  74 -39.984 -25.974 -11.690
  563    HE2  MET  74           HE2      MET  74 -39.057 -24.911 -12.744
  564    HE3  MET  74           HE3      MET  74 -39.828 -24.256 -11.300
  565    H    GLY  75           HN       GLY  75 -35.560 -21.737  -7.220
  566    HA2  GLY  75           HA2      GLY  75 -33.607 -21.044  -6.089
  567    HA3  GLY  75           HA1      GLY  75 -33.743 -22.704  -5.514
  568    H    LEU  76           HN       LEU  76 -32.759 -21.291  -8.662
  569    HA   LEU  76           HA       LEU  76 -30.631 -23.172  -8.988
  570    HB2  LEU  76           HB2      LEU  76 -31.043 -20.571 -10.461
  571    HB3  LEU  76           HB1      LEU  76 -30.185 -22.003 -11.037
  572    HG   LEU  76           HG       LEU  76 -33.145 -21.929 -10.377
  573   HD11  LEU  76          HD11      LEU  76 -31.676 -21.776 -13.022
  574   HD12  LEU  76          HD12      LEU  76 -32.696 -20.524 -12.312
  575   HD13  LEU  76          HD13      LEU  76 -33.415 -22.036 -12.869
  576   HD21  LEU  76          HD21      LEU  76 -31.266 -24.001 -11.545
  577   HD22  LEU  76          HD22      LEU  76 -33.003 -24.085 -11.822
  578   HD23  LEU  76          HD23      LEU  76 -32.366 -24.178 -10.181
  579    H    ASN  77           HN       ASN  77 -30.758 -20.986  -6.750
  580    HA   ASN  77           HA       ASN  77 -28.838 -20.446  -5.439
  581    HB2  ASN  77           HB2      ASN  77 -27.228 -21.197  -7.240
  582    HB3  ASN  77           HB1      ASN  77 -27.473 -19.631  -8.015
  583   HD21  ASN  77          HD21      ASN  77 -25.877 -18.191  -7.504
  584   HD22  ASN  77          HD22      ASN  77 -25.044 -18.139  -6.020
  585    H    ASP  78           HN       ASP  78 -27.965 -18.221  -4.979
  586    HA   ASP  78           HA       ASP  78 -30.014 -16.228  -5.695
  587    HB2  ASP  78           HB2      ASP  78 -29.135 -14.952  -3.806
  588    HB3  ASP  78           HB1      ASP  78 -29.534 -16.592  -3.302
  589    H    ARG  79           HN       ARG  79 -28.723 -16.390  -7.879
  590    HA   ARG  79           HA       ARG  79 -26.868 -14.102  -7.923
  591    HB2  ARG  79           HB2      ARG  79 -25.681 -16.412  -8.004
  592    HB3  ARG  79           HB1      ARG  79 -26.368 -16.546  -9.620
  593    HG2  ARG  79           HG2      ARG  79 -24.381 -15.507 -10.187
  594    HG3  ARG  79           HG1      ARG  79 -25.338 -14.066  -9.852
  595    HD2  ARG  79           HD2      ARG  79 -23.192 -15.350  -8.192
  596    HD3  ARG  79           HD1      ARG  79 -23.452 -13.645  -8.551
  597    HE   ARG  79           HE       ARG  79 -25.556 -14.800  -6.948
  598   HH11  ARG  79          HH21      ARG  79 -22.394 -13.398  -6.964
  599   HH12  ARG  79          HH22      ARG  79 -22.491 -12.825  -5.333
  600   HH21  ARG  79          HH11      ARG  79 -25.697 -14.048  -4.818
  601   HH22  ARG  79          HH12      ARG  79 -24.364 -13.193  -4.117
  602    H    LEU  80           HN       LEU  80 -27.795 -12.615  -9.206
  603    HA   LEU  80           HA       LEU  80 -28.899 -13.517 -11.787
  604    HB2  LEU  80           HB2      LEU  80 -30.637 -13.104  -9.775
  605    HB3  LEU  80           HB1      LEU  80 -30.440 -11.429 -10.289
  606    HG   LEU  80           HG       LEU  80 -32.318 -12.383 -11.476
  607   HD11  LEU  80          HD11      LEU  80 -30.095 -12.372 -13.506
  608   HD12  LEU  80          HD12      LEU  80 -30.533 -10.902 -12.633
  609   HD13  LEU  80          HD13      LEU  80 -31.726 -11.712 -13.640
  610   HD21  LEU  80          HD21      LEU  80 -32.384 -14.486 -12.369
  611   HD22  LEU  80          HD22      LEU  80 -31.002 -14.803 -11.323
  612   HD23  LEU  80          HD23      LEU  80 -30.749 -14.386 -13.017
  613    H    SER  81           HN       SER  81 -28.162 -12.319 -13.386
  614    HA   SER  81           HA       SER  81 -26.939  -9.683 -12.747
  615    HB2  SER  81           HB2      SER  81 -25.249 -10.155 -14.195
  616    HB3  SER  81           HB1      SER  81 -25.707 -11.823 -13.873
  617    HG   SER  81           HG       SER  81 -26.266 -11.964 -15.886
  618    H    SER  82           HN       SER  82 -26.743  -8.743 -15.401
  619    HA   SER  82           HA       SER  82 -29.032  -7.319 -15.763
  620    HB2  SER  82           HB2      SER  82 -26.975  -8.300 -17.726
  621    HB3  SER  82           HB1      SER  82 -28.327  -7.295 -18.242
  622    HG   SER  82           HG       SER  82 -26.761  -5.879 -17.687
  623    H    CYS  83           HN       CYS  83 -30.327  -7.526 -17.993
  624    HA   CYS  83           HA       CYS  83 -31.239 -10.266 -18.444
  625    HB2  CYS  83           HB2      CYS  83 -33.482  -9.885 -17.768
  626    HB3  CYS  83           HB1      CYS  83 -32.497  -9.221 -16.457
  627    HG   CYS  83           HG       CYS  83 -33.637  -7.347 -18.691
  628    H    ARG  84           HN       ARG  84 -32.454 -10.485 -20.408
  629    HA   ARG  84           HA       ARG  84 -32.422  -8.088 -22.160
  630    HB2  ARG  84           HB2      ARG  84 -32.054 -11.006 -22.898
  631    HB3  ARG  84           HB1      ARG  84 -32.114  -9.657 -24.034
  632    HG2  ARG  84           HG2      ARG  84 -30.148  -8.641 -22.967
  633    HG3  ARG  84           HG1      ARG  84 -30.096  -9.957 -21.793
  634    HD2  ARG  84           HD2      ARG  84 -28.506 -10.558 -23.447
  635    HD3  ARG  84           HD1      ARG  84 -29.925 -11.535 -23.809
  636    HE   ARG  84           HE       ARG  84 -30.047  -9.094 -25.248
  637   HH11  ARG  84          HH21      ARG  84 -28.380 -12.120 -25.081
  638   HH12  ARG  84          HH22      ARG  84 -27.984 -12.154 -26.767
  639   HH21  ARG  84          HH11      ARG  84 -29.530  -9.126 -27.456
  640   HH22  ARG  84          HH12      ARG  84 -28.636 -10.456 -28.112
  641    H    ALA  85           HN       ALA  85 -34.338  -7.470 -22.928
  642    HA   ALA  85           HA       ALA  85 -36.751  -8.674 -22.098
  643    HB1  ALA  85           HB1      ALA  85 -36.607  -6.305 -22.711
  644    HB2  ALA  85           HB2      ALA  85 -37.832  -7.122 -23.682
  645    HB3  ALA  85           HB3      ALA  85 -36.256  -6.748 -24.381
  646    H    VAL  86           HN       VAL  86 -37.879 -10.336 -22.874
  647    HA   VAL  86           HA       VAL  86 -37.317 -11.252 -25.656
  648    HB   VAL  86           HB       VAL  86 -37.642 -12.909 -23.143
  649   HG11  VAL  86          HG11      VAL  86 -38.856 -14.068 -24.842
  650   HG12  VAL  86          HG12      VAL  86 -37.259 -14.819 -24.806
  651   HG13  VAL  86          HG13      VAL  86 -37.657 -13.657 -26.068
  652   HG21  VAL  86          HG21      VAL  86 -35.376 -12.253 -23.305
  653   HG22  VAL  86          HG22      VAL  86 -35.374 -12.341 -25.066
  654   HG23  VAL  86          HG23      VAL  86 -35.396 -13.821 -24.111
  655    H    HIS  87           HN       HIS  87 -39.030 -11.587 -26.903
  656    HA   HIS  87           HA       HIS  87 -41.716 -11.286 -25.702
  657    HB2  HIS  87           HB2      HIS  87 -40.829 -11.104 -28.592
  658    HB3  HIS  87           HB1      HIS  87 -42.459 -10.803 -27.989
  659    HD2  HIS  87           HD2      HIS  87 -39.186  -8.876 -28.495
  660    HE1  HIS  87           HE1      HIS  87 -41.556  -6.519 -25.916
  661    HE2  HIS  87           HE2      HIS  87 -39.464  -6.542 -27.361
  662    H    LEU  88           HN       LEU  88 -43.447 -12.622 -26.578
  663    HA   LEU  88           HA       LEU  88 -42.600 -15.402 -26.695
  664    HB2  LEU  88           HB2      LEU  88 -45.411 -14.275 -26.720
  665    HB3  LEU  88           HB1      LEU  88 -44.928 -15.918 -26.328
  666    HG   LEU  88           HG       LEU  88 -45.321 -14.853 -24.235
  667   HD11  LEU  88          HD11      LEU  88 -43.131 -16.166 -24.572
  668   HD12  LEU  88          HD12      LEU  88 -43.262 -15.159 -23.136
  669   HD13  LEU  88          HD13      LEU  88 -42.334 -14.590 -24.520
  670   HD21  LEU  88          HD21      LEU  88 -44.879 -12.457 -25.434
  671   HD22  LEU  88          HD22      LEU  88 -43.343 -12.640 -24.583
  672   HD23  LEU  88          HD23      LEU  88 -44.862 -12.681 -23.689
  673    HA   PRO  89           HA       PRO  89 -43.036 -15.811 -31.084
  674    HB2  PRO  89           HB2      PRO  89 -43.707 -18.459 -31.313
  675    HB3  PRO  89           HB1      PRO  89 -42.073 -17.910 -30.892
  676    HG2  PRO  89           HG2      PRO  89 -44.265 -18.876 -29.099
  677    HG3  PRO  89           HG1      PRO  89 -42.534 -19.269 -29.075
  678    HD2  PRO  89           HD2      PRO  89 -43.596 -17.448 -27.372
  679    HD3  PRO  89           HD1      PRO  89 -41.951 -17.276 -28.015
  680    H    SER  90           HN       SER  90 -44.566 -16.091 -32.762
  681    HA   SER  90           HA       SER  90 -47.258 -16.849 -32.309
  682    HB2  SER  90           HB2      SER  90 -47.278 -14.696 -31.072
  683    HB3  SER  90           HB1      SER  90 -46.773 -13.873 -32.546
  684    HG   SER  90           HG       SER  90 -49.222 -14.560 -31.794
  685    H    GLY  91           HN       GLY  91 -44.719 -15.596 -34.246
  686    HA2  GLY  91           HA2      GLY  91 -46.169 -15.060 -36.617
  687    HA3  GLY  91           HA1      GLY  91 -44.441 -15.391 -36.520
  688    H    GLY  92           HN       GLY  92 -44.328 -17.938 -35.573
  689    HA2  GLY  92           HA2      GLY  92 -45.699 -19.514 -37.691
  690    HA3  GLY  92           HA1      GLY  92 -44.100 -19.879 -37.045
  691    H    GLN  93           HN       GLN  93 -47.256 -19.149 -35.562
  692    HA   GLN  93           HA       GLN  93 -48.178 -20.069 -33.625
  693    HB2  GLN  93           HB2      GLN  93 -48.785 -22.557 -34.183
  694    HB3  GLN  93           HB1      GLN  93 -49.448 -21.260 -35.178
  695    HG2  GLN  93           HG2      GLN  93 -47.725 -21.603 -36.861
  696    HG3  GLN  93           HG1      GLN  93 -46.928 -22.804 -35.853
  697   HE21  GLN  93          HE21      GLN  93 -48.150 -24.853 -35.436
  698   HE22  GLN  93          HE22      GLN  93 -49.296 -25.371 -36.583
  699    H    TYR  94           HN       TYR  94 -47.048 -23.235 -34.135
  700    HA   TYR  94           HA       TYR  94 -44.696 -23.024 -32.466
  701    HB2  TYR  94           HB2      TYR  94 -46.730 -22.968 -30.915
  702    HB3  TYR  94           HB1      TYR  94 -46.992 -24.645 -31.388
  703    HD1  TYR  94           HD1      TYR  94 -44.406 -22.318 -30.035
  704    HD2  TYR  94           HD2      TYR  94 -45.770 -26.369 -30.339
  705    HE1  TYR  94           HE1      TYR  94 -42.670 -23.025 -28.413
  706    HE2  TYR  94           HE2      TYR  94 -44.042 -27.084 -28.719
  707    HH   TYR  94           HH       TYR  94 -41.472 -25.007 -27.759
  708    H    LYS  95           HN       LYS  95 -43.338 -24.293 -33.535
  709    HA   LYS  95           HA       LYS  95 -44.072 -27.063 -34.062
  710    HB2  LYS  95           HB2      LYS  95 -44.850 -25.774 -36.069
  711    HB3  LYS  95           HB1      LYS  95 -43.183 -25.269 -36.330
  712    HG2  LYS  95           HG2      LYS  95 -43.634 -27.187 -37.739
  713    HG3  LYS  95           HG1      LYS  95 -42.520 -27.671 -36.463
  714    HD2  LYS  95           HD2      LYS  95 -44.088 -28.979 -35.364
  715    HD3  LYS  95           HD1      LYS  95 -45.458 -28.022 -35.948
  716    HE2  LYS  95           HE2      LYS  95 -45.268 -28.990 -38.160
  717    HE3  LYS  95           HE1      LYS  95 -43.769 -29.804 -37.730
  718    HZ1  LYS  95           HZ1      LYS  95 -45.002 -31.085 -36.075
  719    HZ2  LYS  95           HZ2      LYS  95 -45.643 -31.320 -37.631
  720    HZ3  LYS  95           HZ3      LYS  95 -46.439 -30.307 -36.524
  721    H    ILE  96           HN       ILE  96 -42.406 -28.380 -33.838
  722    HA   ILE  96           HA       ILE  96 -39.651 -27.323 -34.047
  723    HB   ILE  96           HB       ILE  96 -39.913 -27.254 -31.725
  724   HG12  ILE  96          HG12      ILE  96 -39.065 -30.140 -32.028
  725   HG13  ILE  96          HG11      ILE  96 -38.041 -28.821 -32.585
  726   HG21  ILE  96          HG21      ILE  96 -42.164 -28.308 -31.684
  727   HG22  ILE  96          HG22      ILE  96 -41.119 -28.955 -30.420
  728   HG23  ILE  96          HG23      ILE  96 -41.409 -29.886 -31.889
  729   HD11  ILE  96          HD11      ILE  96 -38.177 -27.838 -30.268
  730   HD12  ILE  96          HD12      ILE  96 -37.363 -29.398 -30.334
  731   HD13  ILE  96          HD13      ILE  96 -39.027 -29.300 -29.758
  732    H    GLN  97           HN       GLN  97 -38.133 -28.735 -34.691
  733    HA   GLN  97           HA       GLN  97 -38.967 -31.494 -35.382
  734    HB2  GLN  97           HB2      GLN  97 -37.619 -29.392 -37.034
  735    HB3  GLN  97           HB1      GLN  97 -37.084 -31.060 -37.245
  736    HG2  GLN  97           HG2      GLN  97 -39.408 -31.761 -37.678
  737    HG3  GLN  97           HG1      GLN  97 -39.958 -30.102 -37.459
  738   HE21  GLN  97          HE21      GLN  97 -36.856 -30.384 -38.970
  739   HE22  GLN  97          HE22      GLN  97 -37.374 -30.108 -40.567
  740    H    ILE  98           HN       ILE  98 -37.732 -32.997 -34.509
  741    HA   ILE  98           HA       ILE  98 -35.114 -32.197 -33.345
  742    HB   ILE  98           HB       ILE  98 -36.828 -34.494 -32.380
  743   HG12  ILE  98          HG12      ILE  98 -36.949 -31.615 -31.431
  744   HG13  ILE  98          HG11      ILE  98 -38.229 -32.452 -32.317
  745   HG21  ILE  98          HG21      ILE  98 -34.795 -32.719 -31.033
  746   HG22  ILE  98          HG22      ILE  98 -34.454 -34.311 -31.708
  747   HG23  ILE  98          HG23      ILE  98 -35.548 -34.149 -30.332
  748   HD11  ILE  98          HD11      ILE  98 -37.246 -32.962 -29.519
  749   HD12  ILE  98          HD12      ILE  98 -38.095 -34.219 -30.416
  750   HD13  ILE  98          HD13      ILE  98 -38.893 -32.685 -30.072
  751    H    PHE  99           HN       PHE  99 -33.374 -33.309 -33.969
  752    HA   PHE  99           HA       PHE  99 -33.803 -35.763 -35.611
  753    HB2  PHE  99           HB2      PHE  99 -31.716 -33.582 -35.751
  754    HB3  PHE  99           HB1      PHE  99 -31.473 -35.156 -36.509
  755    HD1  PHE  99           HD1      PHE  99 -33.651 -32.151 -36.441
  756    HD2  PHE  99           HD2      PHE  99 -32.632 -35.772 -38.522
  757    HE1  PHE  99           HE1      PHE  99 -35.028 -31.428 -38.372
  758    HE2  PHE  99           HE2      PHE  99 -34.010 -35.044 -40.455
  759    HZ   PHE  99           HZ       PHE  99 -35.209 -32.875 -40.378
  760    H    GLU 100           HN       GLU 100 -32.989 -37.592 -34.906
  761    HA   GLU 100           HA       GLU 100 -31.902 -37.913 -32.348
  762    HB2  GLU 100           HB2      GLU 100 -33.038 -39.718 -33.593
  763    HB3  GLU 100           HB1      GLU 100 -31.666 -39.799 -34.705
  764    HG2  GLU 100           HG2      GLU 100 -30.170 -40.393 -32.860
  765    HG3  GLU 100           HG1      GLU 100 -31.494 -40.225 -31.708
  766    H    LYS 101           HN       LYS 101 -30.370 -37.253 -35.400
  767    HA   LYS 101           HA       LYS 101 -27.694 -37.440 -34.111
  768    HB2  LYS 101           HB2      LYS 101 -28.404 -37.808 -37.023
  769    HB3  LYS 101           HB1      LYS 101 -26.811 -37.995 -36.303
  770    HG2  LYS 101           HG2      LYS 101 -27.587 -39.865 -34.967
  771    HG3  LYS 101           HG1      LYS 101 -29.237 -39.633 -35.537
  772    HD2  LYS 101           HD2      LYS 101 -28.499 -40.086 -37.850
  773    HD3  LYS 101           HD1      LYS 101 -26.855 -40.359 -37.264
  774    HE2  LYS 101           HE2      LYS 101 -27.637 -42.226 -35.876
  775    HE3  LYS 101           HE1      LYS 101 -29.296 -41.935 -36.395
  776    HZ1  LYS 101           HZ1      LYS 101 -28.946 -43.051 -38.263
  777    HZ2  LYS 101           HZ2      LYS 101 -27.457 -43.557 -37.623
  778    HZ3  LYS 101           HZ3      LYS 101 -27.534 -42.182 -38.616
  779    H    GLY 102           HN       GLY 102 -26.219 -35.772 -34.582
  780    HA2  GLY 102           HA2      GLY 102 -27.333 -33.209 -34.944
  781    HA3  GLY 102           HA1      GLY 102 -25.618 -33.575 -34.968
  782    H    ASP 103           HN       ASP 103 -26.412 -31.661 -36.640
  783    HA   ASP 103           HA       ASP 103 -26.350 -30.982 -38.823
  784    HB2  ASP 103           HB2      ASP 103 -24.337 -32.541 -38.766
  785    HB3  ASP 103           HB1      ASP 103 -25.384 -33.762 -39.485
  786    H    PHE 104           HN       PHE 104 -28.731 -32.292 -37.718
  787    HA   PHE 104           HA       PHE 104 -30.788 -33.023 -38.400
  788    HB2  PHE 104           HB2      PHE 104 -30.068 -32.272 -41.222
  789    HB3  PHE 104           HB1      PHE 104 -31.611 -32.116 -40.381
  790    HD1  PHE 104           HD2      PHE 104 -31.154 -30.760 -37.955
  791    HD2  PHE 104           HD1      PHE 104 -29.134 -30.190 -41.708
  792    HE1  PHE 104           HE2      PHE 104 -30.549 -28.462 -37.283
  793    HE2  PHE 104           HE1      PHE 104 -28.536 -27.887 -41.028
  794    HZ   PHE 104           HZ       PHE 104 -29.243 -27.033 -38.819
  795    H    SER 105           HN       SER 105 -30.154 -35.245 -37.987
  796    HA   SER 105           HA       SER 105 -30.470 -36.877 -40.343
  797    HB2  SER 105           HB2      SER 105 -27.837 -36.664 -38.935
  798    HB3  SER 105           HB1      SER 105 -28.333 -38.238 -39.550
  799    HG   SER 105           HG       SER 105 -28.880 -36.657 -41.484
  800    H    GLY 106           HN       GLY 106 -30.710 -39.148 -39.780
  801    HA2  GLY 106           HA2      GLY 106 -31.242 -40.925 -38.348
  802    HA3  GLY 106           HA1      GLY 106 -31.100 -39.835 -36.978
  803    H    GLN 107           HN       GLN 107 -33.046 -40.539 -36.083
  804    HA   GLN 107           HA       GLN 107 -35.511 -40.446 -37.549
  805    HB2  GLN 107           HB2      GLN 107 -35.340 -42.010 -35.730
  806    HB3  GLN 107           HB1      GLN 107 -34.902 -40.732 -34.598
  807    HG2  GLN 107           HG2      GLN 107 -37.289 -41.417 -34.395
  808    HG3  GLN 107           HG1      GLN 107 -37.117 -39.720 -34.832
  809   HE21  GLN 107          HE21      GLN 107 -39.052 -39.494 -36.030
  810   HE22  GLN 107          HE22      GLN 107 -39.373 -40.346 -37.463
  811    H    MET 108           HN       MET 108 -37.046 -38.874 -37.617
  812    HA   MET 108           HA       MET 108 -36.472 -36.373 -36.195
  813    HB2  MET 108           HB2      MET 108 -35.956 -36.047 -38.536
  814    HB3  MET 108           HB1      MET 108 -37.536 -36.689 -38.992
  815    HG2  MET 108           HG2      MET 108 -37.448 -34.400 -37.051
  816    HG3  MET 108           HG1      MET 108 -37.157 -34.065 -38.755
  817    HE1  MET 108           HE1      MET 108 -38.643 -34.987 -40.645
  818    HE2  MET 108           HE2      MET 108 -39.045 -33.332 -40.197
  819    HE3  MET 108           HE3      MET 108 -40.336 -34.478 -40.545
  820    H    TYR 109           HN       TYR 109 -38.058 -35.495 -35.021
  821    HA   TYR 109           HA       TYR 109 -40.792 -36.570 -35.394
  822    HB2  TYR 109           HB2      TYR 109 -39.275 -35.965 -32.854
  823    HB3  TYR 109           HB1      TYR 109 -41.025 -36.151 -32.915
  824    HD1  TYR 109           HD2      TYR 109 -41.864 -38.308 -34.251
  825    HD2  TYR 109           HD1      TYR 109 -38.002 -37.886 -32.417
  826    HE1  TYR 109           HE2      TYR 109 -41.630 -40.775 -34.174
  827    HE2  TYR 109           HE1      TYR 109 -37.770 -40.354 -32.338
  828    HH   TYR 109           HH       TYR 109 -38.659 -42.304 -32.939
  829    H    GLU 110           HN       GLU 110 -42.380 -35.149 -35.502
  830    HA   GLU 110           HA       GLU 110 -41.784 -32.296 -34.996
  831    HB2  GLU 110           HB2      GLU 110 -43.483 -31.896 -36.855
  832    HB3  GLU 110           HB1      GLU 110 -41.892 -32.462 -37.340
  833    HG2  GLU 110           HG2      GLU 110 -42.740 -34.764 -37.482
  834    HG3  GLU 110           HG1      GLU 110 -44.332 -34.219 -36.955
  835    H    THR 111           HN       THR 111 -43.072 -31.371 -33.524
  836    HA   THR 111           HA       THR 111 -45.868 -32.183 -33.284
  837    HB   THR 111           HB       THR 111 -44.366 -33.658 -31.774
  838    HG1  THR 111           HG1      THR 111 -45.957 -33.253 -30.011
  839   HG21  THR 111          HG21      THR 111 -43.616 -32.714 -29.706
  840   HG22  THR 111          HG22      THR 111 -44.479 -31.209 -29.999
  841   HG23  THR 111          HG23      THR 111 -43.055 -31.609 -30.960
  842    H    THR 112           HN       THR 112 -47.094 -30.436 -32.944
  843    HA   THR 112           HA       THR 112 -45.779 -27.901 -32.249
  844    HB   THR 112           HB       THR 112 -47.170 -27.750 -34.165
  845    HG1  THR 112           HG1      THR 112 -48.672 -26.231 -33.445
  846   HG21  THR 112          HG21      THR 112 -49.265 -29.099 -32.457
  847   HG22  THR 112          HG22      THR 112 -48.508 -29.736 -33.916
  848   HG23  THR 112          HG23      THR 112 -49.607 -28.360 -34.021
  849    H    GLU 113           HN       GLU 113 -45.893 -29.644 -30.129
  850    HA   GLU 113           HA       GLU 113 -47.627 -28.153 -28.273
  851    HB2  GLU 113           HB2      GLU 113 -48.172 -30.397 -27.141
  852    HB3  GLU 113           HB1      GLU 113 -49.039 -30.014 -28.630
  853    HG2  GLU 113           HG2      GLU 113 -47.488 -31.380 -29.927
  854    HG3  GLU 113           HG1      GLU 113 -46.530 -31.708 -28.485
  855    H    ASP 114           HN       ASP 114 -47.133 -29.158 -25.928
  856    HA   ASP 114           HA       ASP 114 -44.252 -28.837 -25.563
  857    HB2  ASP 114           HB2      ASP 114 -44.915 -29.002 -23.104
  858    HB3  ASP 114           HB1      ASP 114 -45.539 -27.614 -23.987
  859    H    CYS 115           HN       CYS 115 -43.068 -30.319 -24.200
  860    HA   CYS 115           HA       CYS 115 -44.127 -33.068 -24.142
  861    HB2  CYS 115           HB2      CYS 115 -41.512 -32.153 -25.329
  862    HB3  CYS 115           HB1      CYS 115 -41.872 -33.831 -24.925
  863    HG   CYS 115           HG       CYS 115 -44.007 -32.569 -26.714
  864    HA   PRO 116           HA       PRO 116 -42.157 -32.463 -20.081
  865    HB2  PRO 116           HB2      PRO 116 -43.010 -34.778 -18.892
  866    HB3  PRO 116           HB1      PRO 116 -44.077 -33.379 -19.134
  867    HG2  PRO 116           HG2      PRO 116 -43.881 -35.898 -20.716
  868    HG3  PRO 116           HG1      PRO 116 -45.317 -34.969 -20.260
  869    HD2  PRO 116           HD2      PRO 116 -44.124 -34.868 -22.745
  870    HD3  PRO 116           HD1      PRO 116 -45.118 -33.555 -22.082
  871    H    SER 117           HN       SER 117 -42.130 -35.794 -21.363
  872    HA   SER 117           HA       SER 117 -39.213 -35.983 -20.798
  873    HB2  SER 117           HB2      SER 117 -41.394 -38.080 -20.753
  874    HB3  SER 117           HB1      SER 117 -39.686 -38.501 -20.818
  875    HG   SER 117           HG       SER 117 -39.727 -36.813 -18.926
  876    H    ILE 118           HN       ILE 118 -38.123 -35.731 -22.685
  877    HA   ILE 118           HA       ILE 118 -39.298 -36.089 -25.239
  878    HB   ILE 118           HB       ILE 118 -37.187 -34.713 -24.345
  879   HG12  ILE 118          HG12      ILE 118 -37.283 -35.780 -27.180
  880   HG13  ILE 118          HG11      ILE 118 -38.307 -34.478 -26.570
  881   HG21  ILE 118          HG21      ILE 118 -35.843 -37.054 -25.684
  882   HG22  ILE 118          HG22      ILE 118 -35.865 -36.796 -23.937
  883   HG23  ILE 118          HG23      ILE 118 -35.070 -35.630 -24.994
  884   HD11  ILE 118          HD11      ILE 118 -36.048 -33.917 -27.809
  885   HD12  ILE 118          HD12      ILE 118 -35.326 -34.233 -26.239
  886   HD13  ILE 118          HD13      ILE 118 -36.556 -32.977 -26.414
  887    H    MET 119           HN       MET 119 -37.126 -38.066 -23.303
  888    HA   MET 119           HA       MET 119 -36.718 -40.036 -25.281
  889    HB2  MET 119           HB2      MET 119 -35.222 -39.722 -23.354
  890    HB3  MET 119           HB1      MET 119 -36.501 -40.293 -22.286
  891    HG2  MET 119           HG2      MET 119 -36.257 -42.496 -22.952
  892    HG3  MET 119           HG1      MET 119 -35.826 -42.067 -24.604
  893    HE1  MET 119           HE1      MET 119 -34.910 -41.492 -21.060
  894    HE2  MET 119           HE2      MET 119 -33.763 -40.258 -21.579
  895    HE3  MET 119           HE3      MET 119 -33.170 -41.776 -20.910
  896    H    GLU 120           HN       GLU 120 -39.431 -39.376 -23.278
  897    HA   GLU 120           HA       GLU 120 -40.383 -42.104 -23.221
  898    HB2  GLU 120           HB2      GLU 120 -40.871 -40.461 -21.431
  899    HB3  GLU 120           HB1      GLU 120 -41.813 -39.518 -22.586
  900    HG2  GLU 120           HG2      GLU 120 -43.375 -40.870 -21.410
  901    HG3  GLU 120           HG1      GLU 120 -43.197 -41.623 -22.984
  902    H    GLN 121           HN       GLN 121 -41.174 -39.141 -24.975
  903    HA   GLN 121           HA       GLN 121 -43.212 -40.530 -26.553
  904    HB2  GLN 121           HB2      GLN 121 -43.462 -38.166 -27.525
  905    HB3  GLN 121           HB1      GLN 121 -43.939 -38.419 -25.844
  906    HG2  GLN 121           HG2      GLN 121 -42.188 -37.198 -25.015
  907    HG3  GLN 121           HG1      GLN 121 -41.079 -37.687 -26.284
  908   HE21  GLN 121          HE21      GLN 121 -44.120 -36.464 -27.438
  909   HE22  GLN 121          HE22      GLN 121 -43.555 -34.913 -27.859
  910    H    PHE 122           HN       PHE 122 -39.974 -39.187 -26.923
  911    HA   PHE 122           HA       PHE 122 -40.045 -39.971 -29.775
  912    HB2  PHE 122           HB2      PHE 122 -38.362 -37.848 -28.438
  913    HB3  PHE 122           HB1      PHE 122 -38.268 -38.299 -30.138
  914    HD1  PHE 122           HD2      PHE 122 -41.108 -38.591 -30.964
  915    HD2  PHE 122           HD1      PHE 122 -39.301 -35.703 -28.329
  916    HE1  PHE 122           HE2      PHE 122 -42.950 -37.031 -31.407
  917    HE2  PHE 122           HE1      PHE 122 -41.154 -34.135 -28.809
  918    HZ   PHE 122           HZ       PHE 122 -42.981 -34.812 -30.334
  919    H    HIS 123           HN       HIS 123 -39.079 -41.210 -26.992
  920    HA   HIS 123           HA       HIS 123 -37.421 -42.702 -26.386
  921    HB2  HIS 123           HB2      HIS 123 -37.530 -43.168 -29.358
  922    HB3  HIS 123           HB1      HIS 123 -36.724 -44.234 -28.206
  923    HD2  HIS 123           HD2      HIS 123 -39.264 -45.642 -29.600
  924    HE1  HIS 123           HE1      HIS 123 -41.451 -44.576 -26.151
  925    HE2  HIS 123           HE2      HIS 123 -41.425 -46.080 -28.199
  926    H    MET 124           HN       MET 124 -36.707 -39.902 -27.716
  927    HA   MET 124           HA       MET 124 -33.998 -40.318 -28.564
  928    HB2  MET 124           HB2      MET 124 -35.684 -37.886 -27.977
  929    HB3  MET 124           HB1      MET 124 -33.959 -37.757 -28.289
  930    HG2  MET 124           HG2      MET 124 -34.204 -38.800 -30.460
  931    HG3  MET 124           HG1      MET 124 -35.907 -39.128 -30.149
  932    HE1  MET 124           HE1      MET 124 -34.029 -36.884 -32.471
  933    HE2  MET 124           HE2      MET 124 -35.668 -36.475 -32.972
  934    HE3  MET 124           HE3      MET 124 -35.264 -38.145 -32.575
  935    H    ARG 125           HN       ARG 125 -32.181 -40.193 -27.391
  936    HA   ARG 125           HA       ARG 125 -32.468 -39.811 -24.474
  937    HB2  ARG 125           HB2      ARG 125 -30.120 -40.998 -24.608
  938    HB3  ARG 125           HB1      ARG 125 -31.595 -41.948 -24.758
  939    HG2  ARG 125           HG2      ARG 125 -31.422 -41.889 -27.198
  940    HG3  ARG 125           HG1      ARG 125 -29.997 -40.853 -27.090
  941    HD2  ARG 125           HD2      ARG 125 -29.322 -43.182 -27.436
  942    HD3  ARG 125           HD1      ARG 125 -28.819 -42.631 -25.839
  943    HE   ARG 125           HE       ARG 125 -30.380 -44.085 -24.879
  944   HH11  ARG 125          HH21      ARG 125 -30.763 -43.872 -28.316
  945   HH12  ARG 125          HH22      ARG 125 -31.834 -45.231 -28.416
  946   HH21  ARG 125          HH11      ARG 125 -31.784 -45.857 -25.005
  947   HH22  ARG 125          HH12      ARG 125 -32.411 -46.355 -26.543
  948    H    GLU 126           HN       GLU 126 -30.841 -38.681 -27.366
  949    HA   GLU 126           HA       GLU 126 -29.789 -36.425 -25.850
  950    HB2  GLU 126           HB2      GLU 126 -27.866 -38.041 -27.534
  951    HB3  GLU 126           HB1      GLU 126 -27.498 -36.673 -26.494
  952    HG2  GLU 126           HG2      GLU 126 -28.225 -38.020 -24.533
  953    HG3  GLU 126           HG1      GLU 126 -28.452 -39.400 -25.605
  954    H    ILE 127           HN       ILE 127 -30.712 -34.860 -26.972
  955    HA   ILE 127           HA       ILE 127 -31.085 -34.967 -29.837
  956    HB   ILE 127           HB       ILE 127 -31.318 -32.513 -28.094
  957   HG12  ILE 127          HG12      ILE 127 -32.697 -34.134 -26.993
  958   HG13  ILE 127          HG11      ILE 127 -33.793 -33.193 -27.999
  959   HG21  ILE 127          HG21      ILE 127 -33.037 -31.927 -29.793
  960   HG22  ILE 127          HG22      ILE 127 -32.607 -33.391 -30.680
  961   HG23  ILE 127          HG23      ILE 127 -31.432 -32.105 -30.483
  962   HD11  ILE 127          HD11      ILE 127 -33.432 -34.996 -29.776
  963   HD12  ILE 127          HD12      ILE 127 -34.381 -35.469 -28.368
  964   HD13  ILE 127          HD13      ILE 127 -32.687 -35.950 -28.502
  965    H    HIS 128           HN       HIS 128 -29.709 -34.449 -31.338
  966    HA   HIS 128           HA       HIS 128 -27.215 -33.049 -30.618
  967    HB2  HIS 128           HB2      HIS 128 -27.929 -34.778 -32.971
  968    HB3  HIS 128           HB1      HIS 128 -26.335 -34.086 -32.675
  969    HD2  HIS 128           HD2      HIS 128 -24.860 -35.414 -30.620
  970    HE1  HIS 128           HE1      HIS 128 -27.783 -38.345 -29.813
  971    HE2  HIS 128           HE2      HIS 128 -25.372 -37.657 -29.387
  972    H    SER 129           HN       SER 129 -30.004 -32.906 -32.739
  973    HA   SER 129           HA       SER 129 -29.403 -30.123 -33.305
  974    HB2  SER 129           HB2      SER 129 -29.581 -30.482 -35.789
  975    HB3  SER 129           HB1      SER 129 -28.100 -31.069 -35.061
  976    HG   SER 129           HG       SER 129 -29.571 -32.460 -36.563
  977    H    CYS 130           HN       CYS 130 -31.176 -28.969 -34.140
  978    HA   CYS 130           HA       CYS 130 -33.703 -30.362 -34.579
  979    HB2  CYS 130           HB2      CYS 130 -33.984 -30.178 -32.267
  980    HB3  CYS 130           HB1      CYS 130 -33.109 -28.647 -32.181
  981    HG   CYS 130           HG       CYS 130 -36.038 -28.935 -33.241
  982    H    LYS 131           HN       LYS 131 -34.866 -29.346 -36.096
  983    HA   LYS 131           HA       LYS 131 -34.084 -26.588 -36.856
  984    HB2  LYS 131           HB2      LYS 131 -35.285 -28.793 -38.546
  985    HB3  LYS 131           HB1      LYS 131 -34.942 -27.155 -39.104
  986    HG2  LYS 131           HG2      LYS 131 -32.536 -27.546 -38.337
  987    HG3  LYS 131           HG1      LYS 131 -32.971 -29.248 -38.179
  988    HD2  LYS 131           HD2      LYS 131 -33.328 -27.651 -40.729
  989    HD3  LYS 131           HD1      LYS 131 -31.924 -28.661 -40.394
  990    HE2  LYS 131           HE2      LYS 131 -33.552 -30.582 -40.022
  991    HE3  LYS 131           HE1      LYS 131 -34.800 -29.540 -40.703
  992    HZ1  LYS 131           HZ1      LYS 131 -34.087 -30.043 -42.719
  993    HZ2  LYS 131           HZ2      LYS 131 -32.906 -31.073 -42.063
  994    HZ3  LYS 131           HZ3      LYS 131 -32.543 -29.440 -42.358
  995    H    VAL 132           HN       VAL 132 -36.103 -25.790 -38.371
  996    HA   VAL 132           HA       VAL 132 -38.162 -24.793 -38.262
  997    HB   VAL 132           HB       VAL 132 -38.943 -27.354 -36.851
  998   HG11  VAL 132          HG11      VAL 132 -40.730 -25.818 -36.623
  999   HG12  VAL 132          HG12      VAL 132 -41.151 -26.754 -38.058
 1000   HG13  VAL 132          HG13      VAL 132 -40.470 -25.140 -38.231
 1001   HG21  VAL 132          HG21      VAL 132 -37.934 -27.992 -38.917
 1002   HG22  VAL 132          HG22      VAL 132 -38.655 -26.627 -39.774
 1003   HG23  VAL 132          HG23      VAL 132 -39.669 -27.964 -39.235
 1004    H    LEU 133           HN       LEU 133 -37.254 -23.229 -36.776
 1005    HA   LEU 133           HA       LEU 133 -37.989 -23.581 -33.945
 1006    HB2  LEU 133           HB2      LEU 133 -36.061 -21.841 -35.433
 1007    HB3  LEU 133           HB1      LEU 133 -36.752 -21.184 -33.950
 1008    HG   LEU 133           HG       LEU 133 -34.593 -22.426 -33.617
 1009   HD11  LEU 133          HD11      LEU 133 -36.222 -24.163 -31.991
 1010   HD12  LEU 133          HD12      LEU 133 -37.030 -22.600 -32.099
 1011   HD13  LEU 133          HD13      LEU 133 -35.374 -22.687 -31.522
 1012   HD21  LEU 133          HD21      LEU 133 -34.389 -24.714 -34.059
 1013   HD22  LEU 133          HD22      LEU 133 -35.385 -24.194 -35.415
 1014   HD23  LEU 133          HD23      LEU 133 -36.129 -24.982 -34.021
 1015    H    GLU 134           HN       GLU 134 -38.881 -21.591 -32.859
 1016    HA   GLU 134           HA       GLU 134 -40.670 -20.034 -34.594
 1017    HB2  GLU 134           HB2      GLU 134 -41.603 -22.226 -33.198
 1018    HB3  GLU 134           HB1      GLU 134 -41.932 -20.927 -32.060
 1019    HG2  GLU 134           HG2      GLU 134 -42.831 -21.032 -34.963
 1020    HG3  GLU 134           HG1      GLU 134 -43.843 -21.263 -33.544
 1021    H    GLY 135           HN       GLY 135 -40.062 -18.002 -34.191
 1022    HA2  GLY 135           HA2      GLY 135 -39.203 -16.164 -33.065
 1023    HA3  GLY 135           HA1      GLY 135 -40.532 -16.530 -31.973
 1024    H    VAL 136           HN       VAL 136 -40.122 -17.850 -30.133
 1025    HA   VAL 136           HA       VAL 136 -37.277 -18.012 -29.321
 1026    HB   VAL 136           HB       VAL 136 -39.584 -17.401 -27.489
 1027   HG11  VAL 136          HG11      VAL 136 -37.445 -18.346 -26.536
 1028   HG12  VAL 136          HG12      VAL 136 -37.836 -16.735 -25.951
 1029   HG13  VAL 136          HG13      VAL 136 -36.608 -16.941 -27.196
 1030   HG21  VAL 136          HG21      VAL 136 -38.691 -15.058 -27.569
 1031   HG22  VAL 136          HG22      VAL 136 -39.484 -15.584 -29.051
 1032   HG23  VAL 136          HG23      VAL 136 -37.722 -15.536 -28.959
 1033    H    TRP 137           HN       TRP 137 -36.768 -19.704 -27.844
 1034    HA   TRP 137           HA       TRP 137 -38.801 -21.816 -27.494
 1035    HB2  TRP 137           HB2      TRP 137 -37.333 -22.122 -29.621
 1036    HB3  TRP 137           HB1      TRP 137 -36.029 -22.495 -28.491
 1037    HD1  TRP 137           HD1      TRP 137 -36.128 -24.730 -27.194
 1038    HE1  TRP 137           HE1      TRP 137 -37.634 -26.826 -27.386
 1039    HE3  TRP 137           HE3      TRP 137 -39.793 -22.881 -30.196
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.095 -27.583 -28.639
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.706 -24.298 -30.880
 1042    HH2  TRP 137           HH2      TRP 137 -41.853 -26.645 -30.105
 1043    H    ILE 138           HN       ILE 138 -37.923 -23.585 -26.034
 1044    HA   ILE 138           HA       ILE 138 -35.812 -22.720 -24.188
 1045    HB   ILE 138           HB       ILE 138 -38.655 -23.274 -23.286
 1046   HG12  ILE 138          HG12      ILE 138 -36.868 -20.839 -22.936
 1047   HG13  ILE 138          HG11      ILE 138 -38.193 -20.964 -24.089
 1048   HG21  ILE 138          HG21      ILE 138 -36.076 -22.997 -21.711
 1049   HG22  ILE 138          HG22      ILE 138 -37.177 -24.373 -21.724
 1050   HG23  ILE 138          HG23      ILE 138 -37.674 -22.862 -20.977
 1051   HD11  ILE 138          HD11      ILE 138 -38.319 -20.812 -21.093
 1052   HD12  ILE 138          HD12      ILE 138 -39.633 -21.579 -21.984
 1053   HD13  ILE 138          HD13      ILE 138 -39.227 -19.891 -22.291
 1054    H    PHE 139           HN       PHE 139 -34.547 -24.384 -23.716
 1055    HA   PHE 139           HA       PHE 139 -35.643 -27.145 -23.866
 1056    HB2  PHE 139           HB2      PHE 139 -33.189 -25.918 -24.934
 1057    HB3  PHE 139           HB1      PHE 139 -32.836 -27.341 -23.957
 1058    HD1  PHE 139           HD1      PHE 139 -35.864 -26.668 -26.070
 1059    HD2  PHE 139           HD2      PHE 139 -32.285 -28.986 -25.564
 1060    HE1  PHE 139           HE1      PHE 139 -36.572 -28.154 -27.909
 1061    HE2  PHE 139           HE2      PHE 139 -33.009 -30.488 -27.401
 1062    HZ   PHE 139           HZ       PHE 139 -35.149 -30.067 -28.579
 1063    H    TYR 140           HN       TYR 140 -35.602 -28.349 -22.120
 1064    HA   TYR 140           HA       TYR 140 -34.335 -27.204 -19.687
 1065    HB2  TYR 140           HB2      TYR 140 -36.755 -28.925 -20.186
 1066    HB3  TYR 140           HB1      TYR 140 -35.990 -28.916 -18.600
 1067    HD1  TYR 140           HD2      TYR 140 -35.709 -26.700 -17.395
 1068    HD2  TYR 140           HD1      TYR 140 -38.129 -27.130 -20.895
 1069    HE1  TYR 140           HE2      TYR 140 -36.866 -24.580 -16.851
 1070    HE2  TYR 140           HE1      TYR 140 -39.291 -25.017 -20.367
 1071    HH   TYR 140           HH       TYR 140 -38.301 -22.761 -18.685
 1072    H    GLU 141           HN       GLU 141 -32.416 -28.092 -19.311
 1073    HA   GLU 141           HA       GLU 141 -31.357 -30.387 -20.328
 1074    HB2  GLU 141           HB2      GLU 141 -30.161 -28.663 -18.949
 1075    HB3  GLU 141           HB1      GLU 141 -30.820 -29.456 -17.517
 1076    HG2  GLU 141           HG2      GLU 141 -29.779 -31.589 -18.242
 1077    HG3  GLU 141           HG1      GLU 141 -29.093 -30.755 -19.633
 1078    H    LEU 142           HN       LEU 142 -33.755 -30.126 -17.851
 1079    HA   LEU 142           HA       LEU 142 -33.594 -33.054 -17.431
 1080    HB2  LEU 142           HB2      LEU 142 -33.696 -30.854 -15.533
 1081    HB3  LEU 142           HB1      LEU 142 -35.011 -31.987 -15.248
 1082    HG   LEU 142           HG       LEU 142 -33.273 -33.834 -15.297
 1083   HD11  LEU 142          HD11      LEU 142 -30.906 -32.979 -14.845
 1084   HD12  LEU 142          HD12      LEU 142 -31.461 -31.403 -15.409
 1085   HD13  LEU 142          HD13      LEU 142 -31.481 -32.791 -16.500
 1086   HD21  LEU 142          HD21      LEU 142 -32.902 -31.650 -13.219
 1087   HD22  LEU 142          HD22      LEU 142 -32.460 -33.346 -13.028
 1088   HD23  LEU 142          HD23      LEU 142 -34.156 -32.891 -13.190
 1089    HA   PRO 143           HA       PRO 143 -37.733 -33.183 -18.861
 1090    HB2  PRO 143           HB2      PRO 143 -38.808 -35.310 -17.596
 1091    HB3  PRO 143           HB1      PRO 143 -37.454 -35.483 -18.734
 1092    HG2  PRO 143           HG2      PRO 143 -37.443 -35.555 -15.760
 1093    HG3  PRO 143           HG1      PRO 143 -36.447 -36.456 -16.914
 1094    HD2  PRO 143           HD2      PRO 143 -35.670 -34.136 -15.519
 1095    HD3  PRO 143           HD1      PRO 143 -34.832 -34.841 -16.902
 1096    H    ASN 144           HN       ASN 144 -40.037 -33.123 -18.297
 1097    HA   ASN 144           HA       ASN 144 -41.866 -32.461 -17.098
 1098    HB2  ASN 144           HB2      ASN 144 -40.210 -31.923 -14.639
 1099    HB3  ASN 144           HB1      ASN 144 -41.895 -32.432 -14.769
 1100   HD21  ASN 144          HD21      ASN 144 -41.129 -34.460 -16.879
 1101   HD22  ASN 144          HD22      ASN 144 -40.396 -35.719 -16.017
 1102    H    TYR 145           HN       TYR 145 -39.555 -30.698 -18.297
 1103    HA   TYR 145           HA       TYR 145 -39.501 -28.464 -18.816
 1104    HB2  TYR 145           HB2      TYR 145 -41.649 -27.794 -16.826
 1105    HB3  TYR 145           HB1      TYR 145 -41.319 -27.104 -18.407
 1106    HD1  TYR 145           HD2      TYR 145 -41.456 -28.908 -20.402
 1107    HD2  TYR 145           HD1      TYR 145 -43.542 -29.179 -16.659
 1108    HE1  TYR 145           HE2      TYR 145 -43.131 -30.377 -21.440
 1109    HE2  TYR 145           HE1      TYR 145 -45.199 -30.695 -17.698
 1110    HH   TYR 145           HH       TYR 145 -44.708 -32.072 -20.824
 1111    H    ARG 146           HN       ARG 146 -38.091 -29.740 -16.491
 1112    HA   ARG 146           HA       ARG 146 -37.462 -27.238 -15.014
 1113    HB2  ARG 146           HB2      ARG 146 -37.747 -30.046 -13.894
 1114    HB3  ARG 146           HB1      ARG 146 -37.146 -28.652 -12.992
 1115    HG2  ARG 146           HG2      ARG 146 -39.303 -27.483 -13.406
 1116    HG3  ARG 146           HG1      ARG 146 -39.897 -28.922 -14.239
 1117    HD2  ARG 146           HD2      ARG 146 -39.575 -30.247 -12.184
 1118    HD3  ARG 146           HD1      ARG 146 -38.993 -28.809 -11.348
 1119    HE   ARG 146           HE       ARG 146 -41.488 -28.146 -12.371
 1120   HH11  ARG 146          HH21      ARG 146 -40.121 -30.489 -10.223
 1121   HH12  ARG 146          HH22      ARG 146 -41.543 -30.623  -9.245
 1122   HH21  ARG 146          HH11      ARG 146 -43.355 -28.316 -11.093
 1123   HH22  ARG 146          HH12      ARG 146 -43.374 -29.393  -9.738
 1124    H    GLY 147           HN       GLY 147 -35.341 -26.755 -15.203
 1125    HA2  GLY 147           HA2      GLY 147 -33.115 -28.180 -14.717
 1126    HA3  GLY 147           HA1      GLY 147 -33.526 -28.723 -16.347
 1127    H    ARG 148           HN       ARG 148 -31.174 -27.548 -16.176
 1128    HA   ARG 148           HA       ARG 148 -30.995 -24.763 -16.308
 1129    HB2  ARG 148           HB2      ARG 148 -29.075 -26.410 -16.274
 1130    HB3  ARG 148           HB1      ARG 148 -29.379 -26.688 -17.991
 1131    HG2  ARG 148           HG2      ARG 148 -29.140 -24.196 -18.345
 1132    HG3  ARG 148           HG1      ARG 148 -28.605 -24.078 -16.667
 1133    HD2  ARG 148           HD2      ARG 148 -27.305 -25.848 -18.750
 1134    HD3  ARG 148           HD1      ARG 148 -26.713 -24.252 -18.302
 1135    HE   ARG 148           HE       ARG 148 -26.946 -25.754 -15.948
 1136   HH11  ARG 148          HH21      ARG 148 -25.206 -25.755 -18.939
 1137   HH12  ARG 148          HH22      ARG 148 -23.803 -26.530 -18.284
 1138   HH21  ARG 148          HH11      ARG 148 -25.105 -26.777 -15.082
 1139   HH22  ARG 148          HH12      ARG 148 -23.744 -27.108 -16.101
 1140    H    GLN 149           HN       GLN 149 -32.133 -23.456 -17.590
 1141    HA   GLN 149           HA       GLN 149 -33.237 -24.374 -20.085
 1142    HB2  GLN 149           HB2      GLN 149 -33.283 -21.579 -18.963
 1143    HB3  GLN 149           HB1      GLN 149 -34.342 -22.251 -20.199
 1144    HG2  GLN 149           HG2      GLN 149 -35.693 -22.469 -18.313
 1145    HG3  GLN 149           HG1      GLN 149 -34.895 -24.041 -18.329
 1146   HE21  GLN 149          HE21      GLN 149 -35.916 -22.976 -15.908
 1147   HE22  GLN 149          HE22      GLN 149 -34.611 -22.581 -14.889
 1148    H    TYR 150           HN       TYR 150 -32.661 -23.797 -22.129
 1149    HA   TYR 150           HA       TYR 150 -30.110 -22.300 -22.422
 1150    HB2  TYR 150           HB2      TYR 150 -31.317 -24.512 -24.100
 1151    HB3  TYR 150           HB1      TYR 150 -29.922 -23.550 -24.596
 1152    HD1  TYR 150           HD2      TYR 150 -28.000 -23.340 -22.795
 1153    HD2  TYR 150           HD1      TYR 150 -30.932 -26.477 -22.877
 1154    HE1  TYR 150           HE2      TYR 150 -26.505 -24.772 -21.434
 1155    HE2  TYR 150           HE1      TYR 150 -29.435 -27.911 -21.515
 1156    HH   TYR 150           HH       TYR 150 -27.550 -27.984 -20.322
 1157    H    LEU 151           HN       LEU 151 -30.156 -20.461 -23.544
 1158    HA   LEU 151           HA       LEU 151 -32.268 -19.985 -25.524
 1159    HB2  LEU 151           HB2      LEU 151 -32.951 -19.125 -23.168
 1160    HB3  LEU 151           HB1      LEU 151 -31.709 -17.898 -23.418
 1161    HG   LEU 151           HG       LEU 151 -32.939 -17.590 -25.763
 1162   HD11  LEU 151          HD11      LEU 151 -35.222 -18.141 -25.807
 1163   HD12  LEU 151          HD12      LEU 151 -35.309 -18.372 -24.064
 1164   HD13  LEU 151          HD13      LEU 151 -34.500 -19.566 -25.076
 1165   HD21  LEU 151          HD21      LEU 151 -34.020 -16.544 -23.125
 1166   HD22  LEU 151          HD22      LEU 151 -34.388 -15.856 -24.706
 1167   HD23  LEU 151          HD23      LEU 151 -32.736 -15.817 -24.093
 1168    H    LEU 152           HN       LEU 152 -30.878 -19.789 -27.225
 1169    HA   LEU 152           HA       LEU 152 -28.922 -17.575 -27.087
 1170    HB2  LEU 152           HB2      LEU 152 -27.754 -19.780 -26.991
 1171    HB3  LEU 152           HB1      LEU 152 -28.512 -20.216 -28.520
 1172    HG   LEU 152           HG       LEU 152 -27.422 -18.281 -29.615
 1173   HD11  LEU 152          HD11      LEU 152 -27.041 -16.609 -28.054
 1174   HD12  LEU 152          HD12      LEU 152 -25.430 -17.322 -28.113
 1175   HD13  LEU 152          HD13      LEU 152 -26.531 -17.738 -26.798
 1176   HD21  LEU 152          HD21      LEU 152 -25.366 -19.896 -28.093
 1177   HD22  LEU 152          HD22      LEU 152 -25.233 -19.239 -29.724
 1178   HD23  LEU 152          HD23      LEU 152 -26.336 -20.573 -29.399
 1179    H    ASP 153           HN       ASP 153 -28.572 -16.484 -29.070
 1180    HA   ASP 153           HA       ASP 153 -30.656 -15.659 -30.545
 1181    HB2  ASP 153           HB2      ASP 153 -28.281 -14.883 -30.775
 1182    HB3  ASP 153           HB1      ASP 153 -27.979 -16.286 -31.798
 1183    H    LYS 154           HN       LYS 154 -32.240 -16.949 -31.237
 1184    HA   LYS 154           HA       LYS 154 -31.971 -19.554 -32.256
 1185    HB2  LYS 154           HB2      LYS 154 -34.285 -19.352 -32.905
 1186    HB3  LYS 154           HB1      LYS 154 -34.069 -18.542 -31.355
 1187    HG2  LYS 154           HG2      LYS 154 -35.135 -16.774 -32.367
 1188    HG3  LYS 154           HG1      LYS 154 -33.567 -16.461 -33.102
 1189    HD2  LYS 154           HD2      LYS 154 -34.974 -16.513 -34.974
 1190    HD3  LYS 154           HD1      LYS 154 -34.382 -18.172 -34.933
 1191    HE2  LYS 154           HE2      LYS 154 -36.427 -18.854 -33.693
 1192    HE3  LYS 154           HE1      LYS 154 -37.016 -17.194 -33.784
 1193    HZ1  LYS 154           HZ1      LYS 154 -37.740 -18.922 -35.556
 1194    HZ2  LYS 154           HZ2      LYS 154 -36.229 -18.579 -36.252
 1195    HZ3  LYS 154           HZ3      LYS 154 -37.367 -17.336 -36.029
 1196    H    LYS 155           HN       LYS 155 -31.763 -20.372 -34.294
 1197    HA   LYS 155           HA       LYS 155 -32.151 -18.909 -36.667
 1198    HB2  LYS 155           HB2      LYS 155 -29.746 -18.226 -35.394
 1199    HB3  LYS 155           HB1      LYS 155 -29.244 -19.368 -36.633
 1200    HG2  LYS 155           HG2      LYS 155 -30.343 -18.043 -38.362
 1201    HG3  LYS 155           HG1      LYS 155 -30.995 -16.942 -37.147
 1202    HD2  LYS 155           HD2      LYS 155 -28.701 -16.308 -36.491
 1203    HD3  LYS 155           HD1      LYS 155 -28.051 -17.400 -37.716
 1204    HE2  LYS 155           HE2      LYS 155 -29.208 -16.122 -39.478
 1205    HE3  LYS 155           HE1      LYS 155 -29.865 -15.031 -38.258
 1206    HZ1  LYS 155           HZ1      LYS 155 -27.930 -14.041 -39.201
 1207    HZ2  LYS 155           HZ2      LYS 155 -27.003 -15.439 -38.929
 1208    HZ3  LYS 155           HZ3      LYS 155 -27.552 -14.510 -37.616
 1209    H    GLU 156           HN       GLU 156 -29.885 -21.324 -35.374
 1210    HA   GLU 156           HA       GLU 156 -31.171 -23.516 -36.659
 1211    HB2  GLU 156           HB2      GLU 156 -30.191 -22.431 -38.660
 1212    HB3  GLU 156           HB1      GLU 156 -28.591 -22.569 -37.927
 1213    HG2  GLU 156           HG2      GLU 156 -28.813 -25.007 -37.853
 1214    HG3  GLU 156           HG1      GLU 156 -30.435 -24.898 -38.534
 1215    H    TYR 157           HN       TYR 157 -30.495 -25.416 -35.754
 1216    HA   TYR 157           HA       TYR 157 -27.992 -25.348 -34.174
 1217    HB2  TYR 157           HB2      TYR 157 -30.337 -27.032 -33.358
 1218    HB3  TYR 157           HB1      TYR 157 -29.004 -26.431 -32.374
 1219    HD1  TYR 157           HD2      TYR 157 -28.889 -23.578 -32.942
 1220    HD2  TYR 157           HD1      TYR 157 -32.327 -26.123 -32.543
 1221    HE1  TYR 157           HE2      TYR 157 -30.264 -21.620 -32.308
 1222    HE2  TYR 157           HE1      TYR 157 -33.691 -24.173 -31.908
 1223    HH   TYR 157           HH       TYR 157 -33.288 -21.881 -30.894
 1224    H    ARG 158           HN       ARG 158 -26.580 -26.529 -35.248
 1225    HA   ARG 158           HA       ARG 158 -27.450 -29.122 -36.393
 1226    HB2  ARG 158           HB2      ARG 158 -25.600 -28.960 -37.904
 1227    HB3  ARG 158           HB1      ARG 158 -26.436 -27.409 -37.945
 1228    HG2  ARG 158           HG2      ARG 158 -24.770 -26.603 -36.194
 1229    HG3  ARG 158           HG1      ARG 158 -23.865 -28.086 -36.502
 1230    HD2  ARG 158           HD2      ARG 158 -24.627 -26.089 -38.641
 1231    HD3  ARG 158           HD1      ARG 158 -23.056 -26.138 -37.847
 1232    HE   ARG 158           HE       ARG 158 -23.509 -28.700 -38.818
 1233   HH11  ARG 158          HH21      ARG 158 -23.279 -25.471 -40.035
 1234   HH12  ARG 158          HH22      ARG 158 -22.650 -25.948 -41.578
 1235   HH21  ARG 158          HH11      ARG 158 -22.685 -29.337 -40.836
 1236   HH22  ARG 158          HH12      ARG 158 -22.313 -28.141 -42.032
 1237    H    LYS 159           HN       LYS 159 -25.452 -27.578 -34.014
 1238    HA   LYS 159           HA       LYS 159 -24.224 -30.195 -33.354
 1239    HB2  LYS 159           HB2      LYS 159 -22.544 -28.489 -32.110
 1240    HB3  LYS 159           HB1      LYS 159 -22.305 -28.996 -33.782
 1241    HG2  LYS 159           HG2      LYS 159 -23.030 -26.958 -34.654
 1242    HG3  LYS 159           HG1      LYS 159 -24.041 -26.599 -33.265
 1243    HD2  LYS 159           HD2      LYS 159 -22.024 -25.141 -33.379
 1244    HD3  LYS 159           HD1      LYS 159 -22.076 -26.105 -31.904
 1245    HE2  LYS 159           HE2      LYS 159 -20.420 -27.599 -32.683
 1246    HE3  LYS 159           HE1      LYS 159 -20.614 -27.076 -34.357
 1247    HZ1  LYS 159           HZ1      LYS 159 -19.871 -25.001 -32.469
 1248    HZ2  LYS 159           HZ2      LYS 159 -19.313 -25.290 -34.047
 1249    HZ3  LYS 159           HZ3      LYS 159 -18.690 -26.187 -32.745
 1250    HA   PRO 160           HA       PRO 160 -26.147 -30.085 -29.405
 1251    HB2  PRO 160           HB2      PRO 160 -24.046 -30.879 -27.746
 1252    HB3  PRO 160           HB1      PRO 160 -25.072 -31.949 -28.689
 1253    HG2  PRO 160           HG2      PRO 160 -22.375 -30.919 -29.332
 1254    HG3  PRO 160           HG1      PRO 160 -23.057 -32.533 -29.608
 1255    HD2  PRO 160           HD2      PRO 160 -22.822 -30.749 -31.612
 1256    HD3  PRO 160           HD1      PRO 160 -24.201 -31.859 -31.525
 1257    H    ILE 161           HN       ILE 161 -23.386 -28.124 -30.004
 1258    HA   ILE 161           HA       ILE 161 -23.727 -26.656 -27.474
 1259    HB   ILE 161           HB       ILE 161 -21.599 -26.378 -29.605
 1260   HG12  ILE 161          HG12      ILE 161 -20.433 -27.566 -27.371
 1261   HG13  ILE 161          HG11      ILE 161 -21.993 -28.374 -27.440
 1262   HG21  ILE 161          HG21      ILE 161 -21.575 -24.402 -28.340
 1263   HG22  ILE 161          HG22      ILE 161 -20.394 -25.409 -27.509
 1264   HG23  ILE 161          HG23      ILE 161 -22.016 -25.231 -26.846
 1265   HD11  ILE 161          HD11      ILE 161 -21.525 -28.816 -29.907
 1266   HD12  ILE 161          HD12      ILE 161 -20.478 -29.677 -28.777
 1267   HD13  ILE 161          HD13      ILE 161 -19.882 -28.244 -29.615
 1268    H    ASP 162           HN       ASP 162 -24.896 -26.609 -30.545
 1269    HA   ASP 162           HA       ASP 162 -24.631 -23.930 -31.323
 1270    HB2  ASP 162           HB2      ASP 162 -26.017 -26.186 -32.320
 1271    HB3  ASP 162           HB1      ASP 162 -27.220 -24.944 -32.128
 1272    H    TRP 163           HN       TRP 163 -26.678 -25.441 -28.947
 1273    HA   TRP 163           HA       TRP 163 -28.221 -22.937 -28.638
 1274    HB2  TRP 163           HB2      TRP 163 -29.646 -24.510 -27.142
 1275    HB3  TRP 163           HB1      TRP 163 -29.765 -24.666 -28.893
 1276    HD1  TRP 163           HD1      TRP 163 -27.307 -26.106 -26.280
 1277    HE1  TRP 163           HE1      TRP 163 -27.094 -28.643 -26.697
 1278    HE3  TRP 163           HE3      TRP 163 -30.454 -26.656 -30.286
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.104 -30.616 -28.424
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.784 -28.904 -31.298
 1281    HH2  TRP 163           HH2      TRP 163 -29.573 -30.870 -30.378
 1282    H    GLY 164           HN       GLY 164 -25.414 -23.606 -27.678
 1283    HA2  GLY 164           HA2      GLY 164 -24.187 -22.923 -25.869
 1284    HA3  GLY 164           HA1      GLY 164 -25.677 -22.297 -25.176
 1285    H    ALA 165           HN       ALA 165 -25.327 -25.727 -26.008
 1286    HA   ALA 165           HA       ALA 165 -25.319 -26.327 -23.090
 1287    HB1  ALA 165           HB1      ALA 165 -27.306 -27.171 -24.273
 1288    HB2  ALA 165           HB2      ALA 165 -26.300 -28.476 -23.648
 1289    HB3  ALA 165           HB3      ALA 165 -26.243 -28.077 -25.357
 1290    H    ALA 166           HN       ALA 166 -23.802 -27.612 -22.239
 1291    HA   ALA 166           HA       ALA 166 -21.405 -28.030 -23.774
 1292    HB1  ALA 166           HB1      ALA 166 -22.179 -28.744 -20.940
 1293    HB2  ALA 166           HB2      ALA 166 -21.158 -27.406 -21.467
 1294    HB3  ALA 166           HB3      ALA 166 -20.588 -29.067 -21.631
 1295    H    SER 167           HN       SER 167 -23.998 -29.511 -24.412
 1296    HA   SER 167           HA       SER 167 -22.969 -31.837 -25.414
 1297    HB2  SER 167           HB2      SER 167 -23.515 -32.036 -22.516
 1298    HB3  SER 167           HB1      SER 167 -24.152 -33.364 -23.483
 1299    HG   SER 167           HG       SER 167 -21.531 -32.587 -22.992
 1300    HA   PRO 168           HA       PRO 168 -27.137 -32.057 -26.927
 1301    HB2  PRO 168           HB2      PRO 168 -27.320 -34.688 -27.684
 1302    HB3  PRO 168           HB1      PRO 168 -26.394 -33.494 -28.591
 1303    HG2  PRO 168           HG2      PRO 168 -25.441 -35.526 -26.646
 1304    HG3  PRO 168           HG1      PRO 168 -24.703 -34.997 -28.165
 1305    HD2  PRO 168           HD2      PRO 168 -23.831 -34.137 -25.713
 1306    HD3  PRO 168           HD1      PRO 168 -23.697 -33.146 -27.184
 1307    H    ALA 169           HN       ALA 169 -26.121 -34.496 -24.631
 1308    HA   ALA 169           HA       ALA 169 -28.418 -35.769 -23.920
 1309    HB1  ALA 169           HB1      ALA 169 -27.410 -35.907 -21.589
 1310    HB2  ALA 169           HB2      ALA 169 -26.109 -34.878 -22.189
 1311    HB3  ALA 169           HB3      ALA 169 -26.384 -36.462 -22.913
 1312    H    VAL 170           HN       VAL 170 -30.036 -34.062 -24.318
 1313    HA   VAL 170           HA       VAL 170 -30.498 -32.327 -21.961
 1314    HB   VAL 170           HB       VAL 170 -30.345 -31.320 -24.306
 1315   HG11  VAL 170          HG11      VAL 170 -33.167 -32.112 -24.825
 1316   HG12  VAL 170          HG12      VAL 170 -31.965 -33.383 -25.044
 1317   HG13  VAL 170          HG13      VAL 170 -31.833 -31.878 -25.947
 1318   HG21  VAL 170          HG21      VAL 170 -32.886 -30.261 -23.791
 1319   HG22  VAL 170          HG22      VAL 170 -31.383 -29.690 -23.076
 1320   HG23  VAL 170          HG23      VAL 170 -32.382 -30.854 -22.220
 1321    H    GLN 171           HN       GLN 171 -33.323 -32.104 -22.974
 1322    HA   GLN 171           HA       GLN 171 -34.448 -34.717 -22.589
 1323    HB2  GLN 171           HB2      GLN 171 -34.685 -32.616 -20.439
 1324    HB3  GLN 171           HB1      GLN 171 -35.899 -33.871 -20.634
 1325    HG2  GLN 171           HG2      GLN 171 -32.952 -34.363 -20.148
 1326    HG3  GLN 171           HG1      GLN 171 -34.238 -34.522 -18.987
 1327   HE21  GLN 171          HE21      GLN 171 -32.534 -36.239 -21.406
 1328   HE22  GLN 171          HE22      GLN 171 -33.566 -37.588 -21.489
 1329    H    SER 172           HN       SER 172 -36.838 -32.927 -21.521
 1330    HA   SER 172           HA       SER 172 -37.923 -32.630 -24.213
 1331    HB2  SER 172           HB2      SER 172 -38.902 -33.902 -22.142
 1332    HB3  SER 172           HB1      SER 172 -39.561 -32.310 -21.773
 1333    HG   SER 172           HG       SER 172 -40.227 -34.091 -23.735
 1334    H    PHE 173           HN       PHE 173 -40.071 -30.898 -23.320
 1335    HA   PHE 173           HA       PHE 173 -38.975 -28.416 -22.547
 1336    HB2  PHE 173           HB2      PHE 173 -39.113 -27.266 -24.746
 1337    HB3  PHE 173           HB1      PHE 173 -37.843 -28.498 -24.676
 1338    HD1  PHE 173           HD1      PHE 173 -41.359 -27.896 -25.755
 1339    HD2  PHE 173           HD2      PHE 173 -37.868 -30.369 -26.116
 1340    HE1  PHE 173           HE1      PHE 173 -42.414 -29.109 -27.641
 1341    HE2  PHE 173           HE2      PHE 173 -38.918 -31.579 -28.003
 1342    HZ   PHE 173           HZ       PHE 173 -41.194 -30.952 -28.766
 1343    H    ARG 174           HN       ARG 174 -40.520 -26.581 -23.522
 1344    HA   ARG 174           HA       ARG 174 -43.242 -27.458 -23.807
 1345    HB2  ARG 174           HB2      ARG 174 -43.995 -26.077 -21.804
 1346    HB3  ARG 174           HB1      ARG 174 -43.250 -27.632 -21.461
 1347    HG2  ARG 174           HG2      ARG 174 -41.247 -26.669 -20.708
 1348    HG3  ARG 174           HG1      ARG 174 -41.516 -25.171 -21.586
 1349    HD2  ARG 174           HD2      ARG 174 -43.207 -26.071 -19.240
 1350    HD3  ARG 174           HD1      ARG 174 -41.838 -24.962 -19.107
 1351    HE   ARG 174           HE       ARG 174 -43.468 -23.895 -21.071
 1352   HH11  ARG 174          HH21      ARG 174 -43.710 -24.796 -17.739
 1353   HH12  ARG 174          HH22      ARG 174 -44.896 -23.592 -17.359
 1354   HH21  ARG 174          HH11      ARG 174 -45.011 -22.312 -20.582
 1355   HH22  ARG 174          HH12      ARG 174 -45.633 -22.183 -18.970
 1356    H    ARG 175           HN       ARG 175 -44.357 -26.028 -24.981
 1357    HA   ARG 175           HA       ARG 175 -43.199 -23.845 -26.208
 1358    HB2  ARG 175           HB2      ARG 175 -45.506 -23.162 -26.777
 1359    HB3  ARG 175           HB1      ARG 175 -45.295 -24.899 -26.984
 1360    HG2  ARG 175           HG2      ARG 175 -46.237 -25.216 -24.672
 1361    HG3  ARG 175           HG1      ARG 175 -46.621 -23.496 -24.656
 1362    HD2  ARG 175           HD2      ARG 175 -48.002 -23.783 -26.683
 1363    HD3  ARG 175           HD1      ARG 175 -47.630 -25.505 -26.690
 1364    HE   ARG 175           HE       ARG 175 -49.450 -24.126 -24.878
 1365   HH11  ARG 175          HH21      ARG 175 -47.577 -26.951 -25.595
 1366   HH12  ARG 175          HH22      ARG 175 -48.512 -27.995 -24.579
 1367   HH21  ARG 175          HH11      ARG 175 -50.672 -25.492 -23.536
 1368   HH22  ARG 175          HH12      ARG 175 -50.262 -27.170 -23.414
 1369    H    ILE 176           HN       ILE 176 -42.835 -21.808 -25.725
 1370    HA   ILE 176           HA       ILE 176 -43.018 -20.896 -23.036
 1371    HB   ILE 176           HB       ILE 176 -42.629 -19.176 -25.491
 1372   HG12  ILE 176          HG12      ILE 176 -40.616 -20.836 -23.940
 1373   HG13  ILE 176          HG11      ILE 176 -41.085 -21.067 -25.625
 1374   HG21  ILE 176          HG21      ILE 176 -42.994 -18.116 -23.216
 1375   HG22  ILE 176          HG22      ILE 176 -41.457 -17.716 -23.978
 1376   HG23  ILE 176          HG23      ILE 176 -41.514 -18.914 -22.687
 1377   HD11  ILE 176          HD11      ILE 176 -39.336 -18.976 -24.419
 1378   HD12  ILE 176          HD12      ILE 176 -40.364 -18.486 -25.753
 1379   HD13  ILE 176          HD13      ILE 176 -39.205 -19.792 -25.977
 1380    H    VAL 177           HN       VAL 177 -44.540 -19.704 -22.021
 1381    HA   VAL 177           HA       VAL 177 -46.745 -18.541 -23.608
 1382    HB   VAL 177           HB       VAL 177 -48.373 -19.434 -21.987
 1383   HG11  VAL 177          HG11      VAL 177 -46.697 -21.709 -23.069
 1384   HG12  VAL 177          HG12      VAL 177 -47.652 -20.666 -24.123
 1385   HG13  VAL 177          HG13      VAL 177 -48.450 -21.641 -22.888
 1386   HG21  VAL 177          HG21      VAL 177 -47.068 -19.729 -20.011
 1387   HG22  VAL 177          HG22      VAL 177 -45.885 -20.729 -20.851
 1388   HG23  VAL 177          HG23      VAL 177 -47.502 -21.358 -20.527
 1389    H    GLU 178           HN       GLU 178 -47.914 -16.883 -22.483
 1390    HA   GLU 178           HA       GLU 178 -47.104 -15.952 -19.910
 1391    HB2  GLU 178           HB2      GLU 178 -45.172 -15.275 -21.448
 1392    HB3  GLU 178           HB1      GLU 178 -46.311 -14.168 -22.217
 1393    HG2  GLU 178           HG2      GLU 178 -45.791 -14.186 -19.234
 1394    HG3  GLU 178           HG1      GLU 178 -44.909 -13.157 -20.357
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1 -44.338   4.950 -18.495
    2    H2   GLY   1           HT2      GLY   1 -45.456   3.906 -19.234
    3    H3   GLY   1           HT3      GLY   1 -46.001   5.240 -18.334
    4    HA2  GLY   1           HA2      GLY   1 -45.373   6.772 -19.932
    5    HA3  GLY   1           HA1      GLY   1 -44.279   5.618 -20.699
    6    H    SER   2           HN       SER   2 -45.098   4.057 -22.097
    7    HA   SER   2           HA       SER   2 -47.955   3.798 -22.532
    8    HB2  SER   2           HB2      SER   2 -46.159   5.027 -24.634
    9    HB3  SER   2           HB1      SER   2 -47.787   4.426 -24.940
   10    HG   SER   2           HG       SER   2 -48.570   5.940 -23.472
   11    H    LYS   3           HN       LYS   3 -48.425   2.136 -24.161
   12    HA   LYS   3           HA       LYS   3 -48.142   0.055 -25.079
   13    HB2  LYS   3           HB2      LYS   3 -45.199   0.724 -25.218
   14    HB3  LYS   3           HB1      LYS   3 -46.078  -0.454 -26.192
   15    HG2  LYS   3           HG2      LYS   3 -47.464   1.381 -27.131
   16    HG3  LYS   3           HG1      LYS   3 -46.509   2.547 -26.216
   17    HD2  LYS   3           HD2      LYS   3 -45.283   0.606 -28.194
   18    HD3  LYS   3           HD1      LYS   3 -45.806   2.228 -28.643
   19    HE2  LYS   3           HE2      LYS   3 -44.303   3.074 -26.737
   20    HE3  LYS   3           HE1      LYS   3 -43.616   1.449 -26.708
   21    HZ1  LYS   3           HZ1      LYS   3 -43.462   3.491 -28.806
   22    HZ2  LYS   3           HZ2      LYS   3 -43.417   1.852 -29.253
   23    HZ3  LYS   3           HZ3      LYS   3 -42.247   2.480 -28.192
   24    H    THR   4           HN       THR   4 -46.135   0.993 -22.388
   25    HA   THR   4           HA       THR   4 -45.091  -0.225 -20.724
   26    HB   THR   4           HB       THR   4 -46.698  -1.869 -19.680
   27    HG1  THR   4           HG1      THR   4 -48.496  -2.342 -20.703
   28   HG21  THR   4          HG21      THR   4 -48.331  -0.128 -19.068
   29   HG22  THR   4          HG22      THR   4 -47.797   0.856 -20.428
   30   HG23  THR   4          HG23      THR   4 -46.693   0.528 -19.093
   31    H    GLY   5           HN       GLY   5 -43.365  -1.161 -21.916
   32    HA2  GLY   5           HA2      GLY   5 -43.681  -3.681 -23.249
   33    HA3  GLY   5           HA1      GLY   5 -42.172  -2.808 -22.982
   34    H    THR   6           HN       THR   6 -41.149  -4.735 -22.332
   35    HA   THR   6           HA       THR   6 -42.128  -6.186 -20.024
   36    HB   THR   6           HB       THR   6 -40.423  -7.714 -20.493
   37    HG1  THR   6           HG1      THR   6 -39.021  -5.463 -20.872
   38   HG21  THR   6          HG21      THR   6 -40.780  -6.291 -23.148
   39   HG22  THR   6          HG22      THR   6 -41.985  -7.363 -22.435
   40   HG23  THR   6          HG23      THR   6 -40.405  -7.998 -22.899
   41    H    LYS   7           HN       LYS   7 -40.911  -6.432 -18.082
   42    HA   LYS   7           HA       LYS   7 -38.758  -4.623 -17.452
   43    HB2  LYS   7           HB2      LYS   7 -40.344  -2.945 -17.096
   44    HB3  LYS   7           HB1      LYS   7 -41.547  -4.081 -16.491
   45    HG2  LYS   7           HG2      LYS   7 -40.450  -4.315 -14.401
   46    HG3  LYS   7           HG1      LYS   7 -38.963  -3.567 -15.009
   47    HD2  LYS   7           HD2      LYS   7 -39.959  -1.411 -15.060
   48    HD3  LYS   7           HD1      LYS   7 -41.584  -2.068 -14.895
   49    HE2  LYS   7           HE2      LYS   7 -41.297  -2.557 -12.624
   50    HE3  LYS   7           HE1      LYS   7 -39.539  -2.572 -12.739
   51    HZ1  LYS   7           HZ1      LYS   7 -39.451  -0.414 -12.323
   52    HZ2  LYS   7           HZ2      LYS   7 -41.103  -0.474 -11.933
   53    HZ3  LYS   7           HZ3      LYS   7 -40.613  -0.051 -13.503
   54    H    ILE   8           HN       ILE   8 -37.734  -5.103 -15.467
   55    HA   ILE   8           HA       ILE   8 -38.863  -7.274 -13.855
   56    HB   ILE   8           HB       ILE   8 -37.528  -8.364 -15.666
   57   HG12  ILE   8          HG12      ILE   8 -36.142  -8.707 -12.998
   58   HG13  ILE   8          HG11      ILE   8 -37.812  -9.228 -13.231
   59   HG21  ILE   8          HG21      ILE   8 -35.203  -6.962 -14.302
   60   HG22  ILE   8          HG22      ILE   8 -35.822  -6.585 -15.909
   61   HG23  ILE   8          HG23      ILE   8 -35.090  -8.156 -15.589
   62   HD11  ILE   8          HD11      ILE   8 -37.216 -10.828 -14.856
   63   HD12  ILE   8          HD12      ILE   8 -35.931 -10.965 -13.658
   64   HD13  ILE   8          HD13      ILE   8 -35.648 -10.079 -15.155
   65    H    THR   9           HN       THR   9 -38.243  -7.279 -11.742
   66    HA   THR   9           HA       THR   9 -36.261  -5.239 -10.949
   67    HB   THR   9           HB       THR   9 -38.752  -5.951  -9.389
   68    HG1  THR   9           HG1      THR   9 -39.326  -4.904 -11.290
   69   HG21  THR   9          HG21      THR   9 -36.977  -3.514  -9.158
   70   HG22  THR   9          HG22      THR   9 -36.651  -4.986  -8.244
   71   HG23  THR   9          HG23      THR   9 -38.163  -4.114  -7.998
   72    H    PHE  10           HN       PHE  10 -34.793  -5.793  -9.450
   73    HA   PHE  10           HA       PHE  10 -34.928  -8.544  -8.341
   74    HB2  PHE  10           HB2      PHE  10 -32.467  -6.940  -9.036
   75    HB3  PHE  10           HB1      PHE  10 -32.520  -8.618  -8.502
   76    HD1  PHE  10           HD2      PHE  10 -33.736 -10.314  -9.979
   77    HD2  PHE  10           HD1      PHE  10 -32.692  -6.376 -11.318
   78    HE1  PHE  10           HE2      PHE  10 -34.004 -11.046 -12.332
   79    HE2  PHE  10           HE1      PHE  10 -32.957  -7.104 -13.673
   80    HZ   PHE  10           HZ       PHE  10 -33.616  -9.439 -14.180
   81    H    TYR  11           HN       TYR  11 -35.330  -8.449  -6.217
   82    HA   TYR  11           HA       TYR  11 -34.548  -6.072  -4.687
   83    HB2  TYR  11           HB2      TYR  11 -36.367  -8.418  -4.138
   84    HB3  TYR  11           HB1      TYR  11 -35.977  -7.201  -2.934
   85    HD1  TYR  11           HD2      TYR  11 -36.730  -4.892  -3.157
   86    HD2  TYR  11           HD1      TYR  11 -37.751  -7.858  -6.097
   87    HE1  TYR  11           HE2      TYR  11 -38.489  -3.394  -4.060
   88    HE2  TYR  11           HE1      TYR  11 -39.513  -6.360  -6.992
   89    HH   TYR  11           HH       TYR  11 -40.945  -4.381  -5.972
   90    H    GLU  12           HN       GLU  12 -33.113  -6.076  -3.094
   91    HA   GLU  12           HA       GLU  12 -31.106  -8.032  -3.024
   92    HB2  GLU  12           HB2      GLU  12 -31.208  -5.512  -2.156
   93    HB3  GLU  12           HB1      GLU  12 -31.541  -6.296  -0.621
   94    HG2  GLU  12           HG2      GLU  12 -29.177  -7.059  -2.365
   95    HG3  GLU  12           HG1      GLU  12 -29.093  -5.819  -1.126
   96    H    ASP  13           HN       ASP  13 -33.741  -7.346  -0.718
   97    HA   ASP  13           HA       ASP  13 -33.235  -9.915   0.601
   98    HB2  ASP  13           HB2      ASP  13 -34.921  -7.522   1.336
   99    HB3  ASP  13           HB1      ASP  13 -34.971  -9.044   2.224
  100    H    LYS  14           HN       LYS  14 -35.495 -10.761   1.454
  101    HA   LYS  14           HA       LYS  14 -36.868 -11.676  -0.918
  102    HB2  LYS  14           HB2      LYS  14 -37.184 -12.321   2.013
  103    HB3  LYS  14           HB1      LYS  14 -38.156 -13.048   0.735
  104    HG2  LYS  14           HG2      LYS  14 -36.480 -14.631   0.860
  105    HG3  LYS  14           HG1      LYS  14 -35.744 -13.563  -0.323
  106    HD2  LYS  14           HD2      LYS  14 -33.987 -13.775   1.182
  107    HD3  LYS  14           HD1      LYS  14 -34.785 -12.359   1.860
  108    HE2  LYS  14           HE2      LYS  14 -34.597 -13.666   3.771
  109    HE3  LYS  14           HE1      LYS  14 -36.168 -14.219   3.195
  110    HZ1  LYS  14           HZ1      LYS  14 -34.062 -15.816   3.698
  111    HZ2  LYS  14           HZ2      LYS  14 -33.925 -15.594   2.019
  112    HZ3  LYS  14           HZ3      LYS  14 -35.359 -16.219   2.683
  113    H    ASN  15           HN       ASN  15 -39.356 -12.034  -0.385
  114    HA   ASN  15           HA       ASN  15 -41.377 -10.979  -0.599
  115    HB2  ASN  15           HB2      ASN  15 -40.288  -9.684   1.907
  116    HB3  ASN  15           HB1      ASN  15 -41.965  -9.618   1.389
  117   HD21  ASN  15          HD21      ASN  15 -39.721 -12.384   1.232
  118   HD22  ASN  15          HD22      ASN  15 -40.651 -13.402   2.224
  119    H    PHE  16           HN       PHE  16 -39.007  -9.658  -1.868
  120    HA   PHE  16           HA       PHE  16 -38.594  -7.802  -3.097
  121    HB2  PHE  16           HB2      PHE  16 -41.276  -6.623  -2.478
  122    HB3  PHE  16           HB1      PHE  16 -40.383  -6.640  -4.000
  123    HD1  PHE  16           HD2      PHE  16 -40.022  -8.922  -5.128
  124    HD2  PHE  16           HD1      PHE  16 -42.958  -8.224  -2.082
  125    HE1  PHE  16           HE2      PHE  16 -41.260 -10.933  -5.864
  126    HE2  PHE  16           HE1      PHE  16 -44.197 -10.245  -2.811
  127    HZ   PHE  16           HZ       PHE  16 -43.343 -11.605  -4.697
  128    H    GLN  17           HN       GLN  17 -37.770  -7.769  -0.410
  129    HA   GLN  17           HA       GLN  17 -38.226  -4.994   0.473
  130    HB2  GLN  17           HB2      GLN  17 -37.226  -7.452   1.927
  131    HB3  GLN  17           HB1      GLN  17 -37.248  -5.832   2.628
  132    HG2  GLN  17           HG2      GLN  17 -39.667  -5.695   2.349
  133    HG3  GLN  17           HG1      GLN  17 -39.686  -7.254   1.519
  134   HE21  GLN  17          HE21      GLN  17 -38.607  -9.104   2.933
  135   HE22  GLN  17          HE22      GLN  17 -39.032  -9.098   4.583
  136    H    GLY  18           HN       GLY  18 -36.237  -4.156   1.699
  137    HA2  GLY  18           HA2      GLY  18 -34.049  -3.459   1.679
  138    HA3  GLY  18           HA1      GLY  18 -33.646  -4.962   0.862
  139    H    ARG  19           HN       ARG  19 -32.178  -3.750  -0.323
  140    HA   ARG  19           HA       ARG  19 -32.710  -1.549  -1.976
  141    HB2  ARG  19           HB2      ARG  19 -30.465  -3.087  -1.559
  142    HB3  ARG  19           HB1      ARG  19 -30.880  -3.541  -3.206
  143    HG2  ARG  19           HG2      ARG  19 -30.988  -1.128  -3.816
  144    HG3  ARG  19           HG1      ARG  19 -30.428  -0.728  -2.191
  145    HD2  ARG  19           HD2      ARG  19 -28.936  -2.502  -4.143
  146    HD3  ARG  19           HD1      ARG  19 -28.562  -0.807  -3.840
  147    HE   ARG  19           HE       ARG  19 -27.877  -3.032  -2.154
  148   HH11  ARG  19          HH21      ARG  19 -28.724   0.319  -2.252
  149   HH12  ARG  19          HH22      ARG  19 -27.910   0.713  -0.775
  150   HH21  ARG  19          HH11      ARG  19 -26.809  -2.529  -0.212
  151   HH22  ARG  19          HH12      ARG  19 -26.825  -0.900   0.380
  152    H    ARG  20           HN       ARG  20 -32.627  -1.811  -4.565
  153    HA   ARG  20           HA       ARG  20 -33.928  -4.061  -5.663
  154    HB2  ARG  20           HB2      ARG  20 -36.099  -3.156  -6.155
  155    HB3  ARG  20           HB1      ARG  20 -35.844  -3.026  -4.414
  156    HG2  ARG  20           HG2      ARG  20 -36.408  -0.818  -4.672
  157    HG3  ARG  20           HG1      ARG  20 -34.781  -0.622  -5.323
  158    HD2  ARG  20           HD2      ARG  20 -35.848  -1.309  -7.598
  159    HD3  ARG  20           HD1      ARG  20 -37.381  -0.939  -6.814
  160    HE   ARG  20           HE       ARG  20 -35.395   1.159  -6.567
  161   HH11  ARG  20          HH21      ARG  20 -37.956  -0.230  -8.424
  162   HH12  ARG  20          HH22      ARG  20 -38.348   1.244  -9.245
  163   HH21  ARG  20          HH11      ARG  20 -35.898   3.098  -7.638
  164   HH22  ARG  20          HH12      ARG  20 -37.182   3.129  -8.800
  165    H    TYR  21           HN       TYR  21 -34.056  -3.892  -7.964
  166    HA   TYR  21           HA       TYR  21 -32.876  -1.423  -9.113
  167    HB2  TYR  21           HB2      TYR  21 -31.221  -3.316  -9.020
  168    HB3  TYR  21           HB1      TYR  21 -32.313  -4.244 -10.050
  169    HD1  TYR  21           HD1      TYR  21 -30.799  -0.805  -9.925
  170    HD2  TYR  21           HD2      TYR  21 -31.905  -4.172 -12.356
  171    HE1  TYR  21           HE1      TYR  21 -29.852   0.320 -11.914
  172    HE2  TYR  21           HE2      TYR  21 -30.952  -3.042 -14.346
  173    HH   TYR  21           HH       TYR  21 -30.504  -0.105 -14.749
  174    H    ASP  22           HN       ASP  22 -34.006  -0.585 -10.746
  175    HA   ASP  22           HA       ASP  22 -36.172  -2.225 -11.953
  176    HB2  ASP  22           HB2      ASP  22 -37.406  -0.094 -12.228
  177    HB3  ASP  22           HB1      ASP  22 -37.103  -0.488 -10.535
  178    H    CYS  23           HN       CYS  23 -35.865  -2.650 -14.029
  179    HA   CYS  23           HA       CYS  23 -34.905  -0.576 -15.839
  180    HB2  CYS  23           HB2      CYS  23 -32.903  -1.909 -14.932
  181    HB3  CYS  23           HB1      CYS  23 -33.531  -3.258 -15.877
  182    HG   CYS  23           HG       CYS  23 -32.148  -2.130 -17.649
  183    H    ASP  24           HN       ASP  24 -35.651  -0.828 -17.906
  184    HA   ASP  24           HA       ASP  24 -37.264  -3.230 -18.474
  185    HB2  ASP  24           HB2      ASP  24 -38.888  -1.818 -19.613
  186    HB3  ASP  24           HB1      ASP  24 -38.715  -1.313 -17.935
  187    H    CYS  25           HN       CYS  25 -34.470  -2.450 -19.208
  188    HA   CYS  25           HA       CYS  25 -34.740  -2.933 -22.094
  189    HB2  CYS  25           HB2      CYS  25 -33.136  -0.650 -20.915
  190    HB3  CYS  25           HB1      CYS  25 -33.053  -1.179 -22.595
  191    HG   CYS  25           HG       CYS  25 -35.527   0.191 -21.285
  192    H    ASP  26           HN       ASP  26 -33.115  -4.174 -22.933
  193    HA   ASP  26           HA       ASP  26 -31.690  -5.968 -21.518
  194    HB2  ASP  26           HB2      ASP  26 -30.152  -6.166 -23.399
  195    HB3  ASP  26           HB1      ASP  26 -31.794  -5.910 -23.986
  196    H    CYS  27           HN       CYS  27 -29.432  -6.176 -20.908
  197    HA   CYS  27           HA       CYS  27 -27.835  -3.791 -20.569
  198    HB2  CYS  27           HB2      CYS  27 -29.330  -3.490 -18.680
  199    HB3  CYS  27           HB1      CYS  27 -29.046  -5.146 -18.148
  200    HG   CYS  27           HG       CYS  27 -26.398  -4.255 -18.015
  201    H    ALA  28           HN       ALA  28 -25.761  -4.317 -19.398
  202    HA   ALA  28           HA       ALA  28 -24.852  -6.980 -20.242
  203    HB1  ALA  28           HB1      ALA  28 -23.160  -4.761 -19.094
  204    HB2  ALA  28           HB2      ALA  28 -23.621  -4.807 -20.796
  205    HB3  ALA  28           HB3      ALA  28 -22.652  -6.112 -20.108
  206    H    ASP  29           HN       ASP  29 -24.511  -4.880 -17.388
  207    HA   ASP  29           HA       ASP  29 -24.867  -7.171 -15.606
  208    HB2  ASP  29           HB2      ASP  29 -22.766  -6.763 -14.406
  209    HB3  ASP  29           HB1      ASP  29 -22.464  -7.211 -16.085
  210    H    PHE  30           HN       PHE  30 -26.354  -6.469 -14.245
  211    HA   PHE  30           HA       PHE  30 -26.311  -3.654 -13.344
  212    HB2  PHE  30           HB2      PHE  30 -28.604  -3.747 -13.140
  213    HB3  PHE  30           HB1      PHE  30 -28.407  -5.005 -14.357
  214    HD1  PHE  30           HD2      PHE  30 -28.281  -7.424 -13.592
  215    HD2  PHE  30           HD1      PHE  30 -29.443  -4.239 -10.981
  216    HE1  PHE  30           HE2      PHE  30 -29.301  -9.074 -12.048
  217    HE2  PHE  30           HE1      PHE  30 -30.459  -5.873  -9.430
  218    HZ   PHE  30           HZ       PHE  30 -30.397  -8.296  -9.963
  219    H    HIS  31           HN       HIS  31 -24.893  -6.337 -12.416
  220    HA   HIS  31           HA       HIS  31 -25.702  -6.819  -9.769
  221    HB2  HIS  31           HB2      HIS  31 -24.212  -8.337 -10.980
  222    HB3  HIS  31           HB1      HIS  31 -22.943  -7.106 -10.977
  223    HD2  HIS  31           HD2      HIS  31 -21.495  -6.942  -8.583
  224    HE1  HIS  31           HE1      HIS  31 -23.840  -9.654  -6.353
  225    HE2  HIS  31           HE2      HIS  31 -21.718  -8.261  -6.339
  226    H    THR  32           HN       THR  32 -23.854  -4.292 -11.195
  227    HA   THR  32           HA       THR  32 -22.501  -3.383  -8.885
  228    HB   THR  32           HB       THR  32 -22.338  -1.210 -10.079
  229    HG1  THR  32           HG1      THR  32 -23.518  -2.229 -12.334
  230   HG21  THR  32          HG21      THR  32 -20.880  -3.249 -10.570
  231   HG22  THR  32          HG22      THR  32 -20.959  -2.031 -11.843
  232   HG23  THR  32          HG23      THR  32 -21.900  -3.515 -11.985
  233    H    TYR  33           HN       TYR  33 -25.778  -2.951 -10.021
  234    HA   TYR  33           HA       TYR  33 -26.390  -0.884  -8.064
  235    HB2  TYR  33           HB2      TYR  33 -28.118  -2.382 -10.038
  236    HB3  TYR  33           HB1      TYR  33 -28.680  -1.071  -9.002
  237    HD1  TYR  33           HD2      TYR  33 -27.388   1.185  -9.132
  238    HD2  TYR  33           HD1      TYR  33 -27.133  -1.885 -12.122
  239    HE1  TYR  33           HE2      TYR  33 -26.537   2.847 -10.766
  240    HE2  TYR  33           HE1      TYR  33 -26.276  -0.225 -13.756
  241    HH   TYR  33           HH       TYR  33 -25.036   2.020 -13.612
  242    H    LEU  34           HN       LEU  34 -26.316  -4.279  -8.159
  243    HA   LEU  34           HA       LEU  34 -27.721  -4.394  -5.589
  244    HB2  LEU  34           HB2      LEU  34 -29.306  -4.931  -7.539
  245    HB3  LEU  34           HB1      LEU  34 -28.353  -6.395  -7.753
  246    HG   LEU  34           HG       LEU  34 -28.789  -6.968  -5.370
  247   HD11  LEU  34          HD11      LEU  34 -29.352  -5.139  -4.109
  248   HD12  LEU  34          HD12      LEU  34 -30.989  -5.607  -4.552
  249   HD13  LEU  34          HD13      LEU  34 -30.167  -4.329  -5.446
  250   HD21  LEU  34          HD21      LEU  34 -31.310  -7.401  -5.734
  251   HD22  LEU  34          HD22      LEU  34 -30.195  -8.069  -6.927
  252   HD23  LEU  34          HD23      LEU  34 -31.081  -6.589  -7.279
  253    H    SER  35           HN       SER  35 -26.858  -5.852  -4.179
  254    HA   SER  35           HA       SER  35 -24.420  -7.252  -5.083
  255    HB2  SER  35           HB2      SER  35 -25.411  -6.322  -2.399
  256    HB3  SER  35           HB1      SER  35 -24.090  -7.478  -2.546
  257    HG   SER  35           HG       SER  35 -23.415  -5.252  -2.480
  258    H    ARG  36           HN       ARG  36 -27.661  -7.874  -4.394
  259    HA   ARG  36           HA       ARG  36 -27.200 -10.741  -4.464
  260    HB2  ARG  36           HB2      ARG  36 -27.095 -10.030  -2.009
  261    HB3  ARG  36           HB1      ARG  36 -28.800  -9.620  -2.171
  262    HG2  ARG  36           HG2      ARG  36 -29.283 -11.927  -2.913
  263    HG3  ARG  36           HG1      ARG  36 -27.582 -12.341  -2.693
  264    HD2  ARG  36           HD2      ARG  36 -29.484 -11.382  -0.538
  265    HD3  ARG  36           HD1      ARG  36 -28.859 -13.018  -0.719
  266    HE   ARG  36           HE       ARG  36 -27.436 -10.726   0.358
  267   HH11  ARG  36          HH21      ARG  36 -27.253 -13.865  -1.087
  268   HH12  ARG  36          HH22      ARG  36 -25.689 -14.226  -0.435
  269   HH21  ARG  36          HH11      ARG  36 -25.386 -11.192   1.216
  270   HH22  ARG  36          HH12      ARG  36 -24.632 -12.712   0.868
  271    H    CYS  37           HN       CYS  37 -28.980 -11.852  -5.253
  272    HA   CYS  37           HA       CYS  37 -31.268 -10.171  -6.117
  273    HB2  CYS  37           HB2      CYS  37 -31.545 -12.009  -7.821
  274    HB3  CYS  37           HB1      CYS  37 -30.060 -11.063  -7.982
  275    HG   CYS  37           HG       CYS  37 -29.368 -13.334  -6.229
  276    H    ASN  38           HN       ASN  38 -32.779 -10.401  -4.604
  277    HA   ASN  38           HA       ASN  38 -33.745 -13.123  -3.984
  278    HB2  ASN  38           HB2      ASN  38 -33.615 -10.734  -2.144
  279    HB3  ASN  38           HB1      ASN  38 -34.379 -12.267  -1.763
  280   HD21  ASN  38          HD21      ASN  38 -32.428 -11.626  -0.010
  281   HD22  ASN  38          HD22      ASN  38 -30.997 -12.494  -0.313
  282    H    SER  39           HN       SER  39 -36.021 -13.160  -3.611
  283    HA   SER  39           HA       SER  39 -38.067 -12.836  -4.603
  284    HB2  SER  39           HB2      SER  39 -39.134 -10.727  -3.656
  285    HB3  SER  39           HB1      SER  39 -38.479 -11.876  -2.516
  286    HG   SER  39           HG       SER  39 -36.610 -10.105  -3.375
  287    H    ILE  40           HN       ILE  40 -38.963 -12.332  -6.404
  288    HA   ILE  40           HA       ILE  40 -38.205  -9.859  -7.837
  289    HB   ILE  40           HB       ILE  40 -37.811 -12.680  -8.805
  290   HG12  ILE  40          HG12      ILE  40 -35.986 -10.320  -9.274
  291   HG13  ILE  40          HG11      ILE  40 -35.965 -11.132  -7.714
  292   HG21  ILE  40          HG21      ILE  40 -39.009 -11.807 -10.636
  293   HG22  ILE  40          HG22      ILE  40 -37.324 -11.531 -11.078
  294   HG23  ILE  40          HG23      ILE  40 -38.302 -10.203 -10.450
  295   HD11  ILE  40          HD11      ILE  40 -35.692 -13.318  -9.156
  296   HD12  ILE  40          HD12      ILE  40 -34.304 -12.271  -8.897
  297   HD13  ILE  40          HD13      ILE  40 -35.190 -12.193 -10.419
  298    H    LYS  41           HN       LYS  41 -39.717  -9.055  -9.209
  299    HA   LYS  41           HA       LYS  41 -42.051 -10.648  -9.929
  300    HB2  LYS  41           HB2      LYS  41 -43.546  -8.718  -9.044
  301    HB3  LYS  41           HB1      LYS  41 -42.973  -9.944  -7.919
  302    HG2  LYS  41           HG2      LYS  41 -41.353  -8.541  -7.009
  303    HG3  LYS  41           HG1      LYS  41 -41.374  -7.447  -8.371
  304    HD2  LYS  41           HD2      LYS  41 -42.537  -6.635  -6.228
  305    HD3  LYS  41           HD1      LYS  41 -43.445  -6.491  -7.729
  306    HE2  LYS  41           HE2      LYS  41 -44.871  -8.265  -7.191
  307    HE3  LYS  41           HE1      LYS  41 -43.732  -8.974  -6.047
  308    HZ1  LYS  41           HZ1      LYS  41 -44.428  -6.338  -5.269
  309    HZ2  LYS  41           HZ2      LYS  41 -44.606  -7.792  -4.410
  310    HZ3  LYS  41           HZ3      LYS  41 -45.827  -7.276  -5.471
  311    H    VAL  42           HN       VAL  42 -41.832 -10.321 -12.095
  312    HA   VAL  42           HA       VAL  42 -40.974  -7.908 -13.219
  313    HB   VAL  42           HB       VAL  42 -42.314 -10.416 -14.183
  314   HG11  VAL  42          HG11      VAL  42 -43.352  -9.025 -15.715
  315   HG12  VAL  42          HG12      VAL  42 -41.847  -9.336 -16.549
  316   HG13  VAL  42          HG13      VAL  42 -42.080  -7.835 -15.691
  317   HG21  VAL  42          HG21      VAL  42 -39.699  -9.117 -14.994
  318   HG22  VAL  42          HG22      VAL  42 -40.231 -10.756 -15.352
  319   HG23  VAL  42          HG23      VAL  42 -39.848 -10.297 -13.692
  320    H    GLU  43           HN       GLU  43 -42.089  -6.358 -14.303
  321    HA   GLU  43           HA       GLU  43 -44.984  -6.124 -13.753
  322    HB2  GLU  43           HB2      GLU  43 -42.831  -4.003 -13.677
  323    HB3  GLU  43           HB1      GLU  43 -44.556  -3.658 -13.625
  324    HG2  GLU  43           HG2      GLU  43 -43.101  -5.433 -11.648
  325    HG3  GLU  43           HG1      GLU  43 -43.523  -3.750 -11.351
  326    H    GLY  44           HN       GLY  44 -44.394  -7.373 -16.018
  327    HA2  GLY  44           HA2      GLY  44 -45.406  -5.636 -18.031
  328    HA3  GLY  44           HA1      GLY  44 -43.686  -5.900 -18.273
  329    H    GLY  45           HN       GLY  45 -42.958  -7.854 -19.059
  330    HA2  GLY  45           HA2      GLY  45 -44.966  -9.959 -19.633
  331    HA3  GLY  45           HA1      GLY  45 -43.902  -9.341 -20.895
  332    H    THR  46           HN       THR  46 -42.732 -11.229 -21.289
  333    HA   THR  46           HA       THR  46 -41.596 -12.740 -19.099
  334    HB   THR  46           HB       THR  46 -41.252 -13.006 -22.095
  335    HG1  THR  46           HG1      THR  46 -42.644 -14.748 -20.405
  336   HG21  THR  46          HG21      THR  46 -40.538 -15.375 -21.333
  337   HG22  THR  46          HG22      THR  46 -40.265 -14.637 -19.757
  338   HG23  THR  46          HG23      THR  46 -39.361 -14.073 -21.163
  339    H    TRP  47           HN       TRP  47 -39.224 -13.303 -19.171
  340    HA   TRP  47           HA       TRP  47 -37.453 -11.248 -20.228
  341    HB2  TRP  47           HB2      TRP  47 -38.184 -11.486 -17.348
  342    HB3  TRP  47           HB1      TRP  47 -36.481 -11.208 -17.701
  343    HD1  TRP  47           HD1      TRP  47 -39.706  -9.508 -17.356
  344    HE1  TRP  47           HE1      TRP  47 -39.458  -7.023 -17.966
  345    HE3  TRP  47           HE3      TRP  47 -35.164  -9.604 -19.662
  346    HZ2  TRP  47           HZ2      TRP  47 -37.648  -5.324 -19.360
  347    HZ3  TRP  47           HZ3      TRP  47 -34.205  -7.530 -20.630
  348    HH2  TRP  47           HH2      TRP  47 -35.444  -5.394 -20.484
  349    H    ALA  48           HN       ALA  48 -35.272 -11.797 -20.093
  350    HA   ALA  48           HA       ALA  48 -34.712 -14.657 -19.565
  351    HB1  ALA  48           HB1      ALA  48 -34.367 -14.368 -21.881
  352    HB2  ALA  48           HB2      ALA  48 -32.752 -14.151 -21.210
  353    HB3  ALA  48           HB3      ALA  48 -33.709 -12.748 -21.678
  354    H    VAL  49           HN       VAL  49 -33.464 -14.928 -17.836
  355    HA   VAL  49           HA       VAL  49 -31.584 -12.755 -17.069
  356    HB   VAL  49           HB       VAL  49 -31.877 -13.713 -14.734
  357   HG11  VAL  49          HG11      VAL  49 -32.968 -11.611 -15.577
  358   HG12  VAL  49          HG12      VAL  49 -33.897 -12.432 -14.326
  359   HG13  VAL  49          HG13      VAL  49 -34.375 -12.577 -16.017
  360   HG21  VAL  49          HG21      VAL  49 -34.304 -14.972 -16.036
  361   HG22  VAL  49          HG22      VAL  49 -33.903 -15.014 -14.318
  362   HG23  VAL  49          HG23      VAL  49 -32.886 -15.853 -15.482
  363    H    TYR  50           HN       TYR  50 -29.503 -13.276 -16.857
  364    HA   TYR  50           HA       TYR  50 -28.730 -16.126 -17.130
  365    HB2  TYR  50           HB2      TYR  50 -27.255 -13.567 -17.797
  366    HB3  TYR  50           HB1      TYR  50 -26.525 -15.171 -17.861
  367    HD1  TYR  50           HD2      TYR  50 -27.349 -16.866 -19.473
  368    HD2  TYR  50           HD1      TYR  50 -28.834 -12.837 -19.469
  369    HE1  TYR  50           HE2      TYR  50 -28.309 -17.220 -21.732
  370    HE2  TYR  50           HE1      TYR  50 -29.793 -13.188 -21.729
  371    HH   TYR  50           HH       TYR  50 -28.987 -15.865 -23.672
  372    H    GLU  51           HN       GLU  51 -28.181 -17.038 -15.268
  373    HA   GLU  51           HA       GLU  51 -27.867 -16.039 -12.796
  374    HB2  GLU  51           HB2      GLU  51 -27.664 -18.451 -13.402
  375    HB3  GLU  51           HB1      GLU  51 -26.017 -18.136 -13.952
  376    HG2  GLU  51           HG2      GLU  51 -25.501 -17.256 -11.632
  377    HG3  GLU  51           HG1      GLU  51 -27.092 -17.825 -11.131
  378    H    ARG  52           HN       ARG  52 -25.438 -15.888 -15.349
  379    HA   ARG  52           HA       ARG  52 -23.678 -14.351 -13.534
  380    HB2  ARG  52           HB2      ARG  52 -22.913 -15.858 -16.038
  381    HB3  ARG  52           HB1      ARG  52 -21.814 -15.065 -14.913
  382    HG2  ARG  52           HG2      ARG  52 -22.406 -16.587 -13.137
  383    HG3  ARG  52           HG1      ARG  52 -23.703 -17.291 -14.101
  384    HD2  ARG  52           HD2      ARG  52 -21.888 -17.924 -15.796
  385    HD3  ARG  52           HD1      ARG  52 -20.724 -17.523 -14.537
  386    HE   ARG  52           HE       ARG  52 -22.526 -19.263 -13.358
  387   HH11  ARG  52          HH21      ARG  52 -20.387 -19.247 -16.079
  388   HH12  ARG  52          HH22      ARG  52 -20.081 -20.950 -16.024
  389   HH21  ARG  52          HH11      ARG  52 -22.131 -21.499 -13.282
  390   HH22  ARG  52          HH12      ARG  52 -21.068 -22.225 -14.440
  391    HA   PRO  53           HA       PRO  53 -24.346 -10.843 -16.192
  392    HB2  PRO  53           HB2      PRO  53 -22.006  -9.457 -15.762
  393    HB3  PRO  53           HB1      PRO  53 -23.322  -9.514 -14.577
  394    HG2  PRO  53           HG2      PRO  53 -20.796 -11.098 -14.675
  395    HG3  PRO  53           HG1      PRO  53 -21.604 -10.352 -13.284
  396    HD2  PRO  53           HD2      PRO  53 -21.808 -13.012 -13.815
  397    HD3  PRO  53           HD1      PRO  53 -23.138 -12.098 -13.067
  398    H    ASN  54           HN       ASN  54 -23.544  -9.828 -18.113
  399    HA   ASN  54           HA       ASN  54 -22.336  -9.635 -20.061
  400    HB2  ASN  54           HB2      ASN  54 -20.659 -12.039 -19.380
  401    HB3  ASN  54           HB1      ASN  54 -20.252 -10.639 -20.363
  402   HD21  ASN  54          HD21      ASN  54 -21.379  -8.706 -18.369
  403   HD22  ASN  54          HD22      ASN  54 -20.262  -8.669 -17.092
  404    H    PHE  55           HN       PHE  55 -24.193 -12.174 -18.998
  405    HA   PHE  55           HA       PHE  55 -25.709 -13.425 -20.195
  406    HB2  PHE  55           HB2      PHE  55 -24.113 -13.097 -22.727
  407    HB3  PHE  55           HB1      PHE  55 -25.826 -13.439 -22.533
  408    HD1  PHE  55           HD2      PHE  55 -26.946 -11.560 -20.783
  409    HD2  PHE  55           HD1      PHE  55 -23.738 -10.930 -23.573
  410    HE1  PHE  55           HE2      PHE  55 -27.472  -9.145 -20.840
  411    HE2  PHE  55           HE1      PHE  55 -24.271  -8.507 -23.630
  412    HZ   PHE  55           HZ       PHE  55 -26.141  -7.615 -22.264
  413    H    ALA  56           HN       ALA  56 -24.197 -14.717 -18.653
  414    HA   ALA  56           HA       ALA  56 -23.412 -17.124 -20.141
  415    HB1  ALA  56           HB1      ALA  56 -21.594 -15.724 -18.166
  416    HB2  ALA  56           HB2      ALA  56 -21.307 -15.912 -19.897
  417    HB3  ALA  56           HB3      ALA  56 -21.313 -17.327 -18.844
  418    H    GLY  57           HN       GLY  57 -22.905 -18.944 -18.507
  419    HA2  GLY  57           HA2      GLY  57 -23.350 -20.082 -16.516
  420    HA3  GLY  57           HA1      GLY  57 -24.206 -18.665 -15.912
  421    H    TYR  58           HN       TYR  58 -25.815 -20.253 -15.199
  422    HA   TYR  58           HA       TYR  58 -27.300 -21.796 -17.079
  423    HB2  TYR  58           HB2      TYR  58 -28.284 -20.805 -14.398
  424    HB3  TYR  58           HB1      TYR  58 -28.820 -22.236 -15.275
  425    HD1  TYR  58           HD2      TYR  58 -26.432 -23.631 -16.098
  426    HD2  TYR  58           HD1      TYR  58 -27.137 -21.436 -12.467
  427    HE1  TYR  58           HE2      TYR  58 -24.678 -24.946 -14.959
  428    HE2  TYR  58           HE1      TYR  58 -25.380 -22.759 -11.334
  429    HH   TYR  58           HH       TYR  58 -23.821 -24.319 -11.558
  430    H    MET  59           HN       MET  59 -29.090 -21.343 -18.207
  431    HA   MET  59           HA       MET  59 -29.958 -18.524 -18.270
  432    HB2  MET  59           HB2      MET  59 -29.237 -19.252 -20.418
  433    HB3  MET  59           HB1      MET  59 -30.090 -20.786 -20.268
  434    HG2  MET  59           HG2      MET  59 -31.192 -19.019 -21.759
  435    HG3  MET  59           HG1      MET  59 -32.222 -19.741 -20.523
  436    HE1  MET  59           HE1      MET  59 -33.368 -17.771 -21.659
  437    HE2  MET  59           HE2      MET  59 -32.363 -16.367 -22.008
  438    HE3  MET  59           HE3      MET  59 -33.590 -16.275 -20.754
  439    H    TYR  60           HN       TYR  60 -31.847 -17.997 -17.417
  440    HA   TYR  60           HA       TYR  60 -34.012 -20.016 -17.290
  441    HB2  TYR  60           HB2      TYR  60 -32.852 -19.666 -15.041
  442    HB3  TYR  60           HB1      TYR  60 -33.475 -18.025 -15.079
  443    HD1  TYR  60           HD1      TYR  60 -34.347 -21.585 -14.835
  444    HD2  TYR  60           HD2      TYR  60 -35.872 -17.571 -14.891
  445    HE1  TYR  60           HE1      TYR  60 -36.535 -22.406 -14.009
  446    HE2  TYR  60           HE2      TYR  60 -38.060 -18.397 -14.060
  447    HH   TYR  60           HH       TYR  60 -39.155 -21.232 -14.283
  448    H    ILE  61           HN       ILE  61 -35.975 -19.250 -17.875
  449    HA   ILE  61           HA       ILE  61 -36.112 -16.430 -18.765
  450    HB   ILE  61           HB       ILE  61 -37.782 -18.849 -19.495
  451   HG12  ILE  61          HG12      ILE  61 -36.758 -18.372 -21.771
  452   HG13  ILE  61          HG11      ILE  61 -35.680 -17.240 -20.964
  453   HG21  ILE  61          HG21      ILE  61 -39.250 -16.993 -19.635
  454   HG22  ILE  61          HG22      ILE  61 -38.638 -17.188 -21.277
  455   HG23  ILE  61          HG23      ILE  61 -37.978 -15.928 -20.235
  456   HD11  ILE  61          HD11      ILE  61 -35.841 -20.025 -19.859
  457   HD12  ILE  61          HD12      ILE  61 -34.470 -18.917 -19.924
  458   HD13  ILE  61          HD13      ILE  61 -34.972 -19.781 -21.373
  459    H    LEU  62           HN       LEU  62 -36.662 -15.466 -16.757
  460    HA   LEU  62           HA       LEU  62 -38.742 -16.460 -15.107
  461    HB2  LEU  62           HB2      LEU  62 -36.837 -14.292 -15.081
  462    HB3  LEU  62           HB1      LEU  62 -38.416 -13.669 -14.618
  463    HG   LEU  62           HG       LEU  62 -37.195 -16.160 -13.368
  464   HD11  LEU  62          HD11      LEU  62 -36.780 -14.508 -11.413
  465   HD12  LEU  62          HD12      LEU  62 -36.918 -13.240 -12.632
  466   HD13  LEU  62          HD13      LEU  62 -35.659 -14.467 -12.773
  467   HD21  LEU  62          HD21      LEU  62 -38.820 -15.375 -11.501
  468   HD22  LEU  62          HD22      LEU  62 -39.516 -16.133 -12.930
  469   HD23  LEU  62          HD23      LEU  62 -39.564 -14.379 -12.753
  470    HA   PRO  63           HA       PRO  63 -41.852 -14.686 -17.906
  471    HB2  PRO  63           HB2      PRO  63 -43.983 -16.175 -17.192
  472    HB3  PRO  63           HB1      PRO  63 -42.650 -16.844 -18.153
  473    HG2  PRO  63           HG2      PRO  63 -43.243 -17.179 -15.252
  474    HG3  PRO  63           HG1      PRO  63 -42.596 -18.350 -16.413
  475    HD2  PRO  63           HD2      PRO  63 -41.049 -16.871 -14.584
  476    HD3  PRO  63           HD1      PRO  63 -40.431 -17.703 -16.015
  477    H    GLN  64           HN       GLN  64 -43.893 -13.496 -17.674
  478    HA   GLN  64           HA       GLN  64 -43.906 -11.599 -15.645
  479    HB2  GLN  64           HB2      GLN  64 -45.241 -11.761 -17.919
  480    HB3  GLN  64           HB1      GLN  64 -46.498 -12.466 -16.909
  481    HG2  GLN  64           HG2      GLN  64 -45.245  -9.734 -16.631
  482    HG3  GLN  64           HG1      GLN  64 -46.917 -10.106 -17.010
  483   HE21  GLN  64          HE21      GLN  64 -44.821  -9.347 -14.436
  484   HE22  GLN  64          HE22      GLN  64 -45.837  -9.826 -13.163
  485    H    GLY  65           HN       GLY  65 -44.139 -11.925 -13.517
  486    HA2  GLY  65           HA2      GLY  65 -46.428 -12.908 -12.289
  487    HA3  GLY  65           HA1      GLY  65 -45.303 -14.259 -12.374
  488    H    GLU  66           HN       GLU  66 -45.887 -13.654  -9.905
  489    HA   GLU  66           HA       GLU  66 -43.900 -11.747  -8.869
  490    HB2  GLU  66           HB2      GLU  66 -46.259 -13.117  -7.562
  491    HB3  GLU  66           HB1      GLU  66 -45.126 -12.057  -6.718
  492    HG2  GLU  66           HG2      GLU  66 -45.686 -10.210  -8.225
  493    HG3  GLU  66           HG1      GLU  66 -46.763 -11.266  -9.140
  494    H    TYR  67           HN       TYR  67 -42.483 -12.367  -7.192
  495    HA   TYR  67           HA       TYR  67 -42.148 -15.202  -6.613
  496    HB2  TYR  67           HB2      TYR  67 -39.854 -13.599  -7.752
  497    HB3  TYR  67           HB1      TYR  67 -39.816 -15.263  -7.237
  498    HD1  TYR  67           HD1      TYR  67 -41.536 -13.007  -9.729
  499    HD2  TYR  67           HD2      TYR  67 -40.413 -17.019  -8.684
  500    HE1  TYR  67           HE1      TYR  67 -42.357 -13.801 -11.910
  501    HE2  TYR  67           HE2      TYR  67 -41.242 -17.807 -10.875
  502    HH   TYR  67           HH       TYR  67 -42.785 -17.122 -12.599
  503    HA   PRO  68           HA       PRO  68 -41.620 -12.442  -2.968
  504    HB2  PRO  68           HB2      PRO  68 -42.397 -14.289  -1.076
  505    HB3  PRO  68           HB1      PRO  68 -43.513 -13.235  -1.964
  506    HG2  PRO  68           HG2      PRO  68 -42.825 -16.098  -2.436
  507    HG3  PRO  68           HG1      PRO  68 -44.392 -15.277  -2.565
  508    HD2  PRO  68           HD2      PRO  68 -42.881 -15.910  -4.729
  509    HD3  PRO  68           HD1      PRO  68 -43.961 -14.498  -4.709
  510    H    GLU  69           HN       GLU  69 -40.120 -15.378  -3.836
  511    HA   GLU  69           HA       GLU  69 -37.815 -14.667  -2.185
  512    HB2  GLU  69           HB2      GLU  69 -39.201 -17.359  -2.016
  513    HB3  GLU  69           HB1      GLU  69 -37.580 -17.032  -1.396
  514    HG2  GLU  69           HG2      GLU  69 -38.526 -15.260   0.062
  515    HG3  GLU  69           HG1      GLU  69 -40.134 -15.635  -0.536
  516    H    TYR  70           HN       TYR  70 -35.890 -15.892  -2.874
  517    HA   TYR  70           HA       TYR  70 -35.673 -15.974  -5.685
  518    HB2  TYR  70           HB2      TYR  70 -33.431 -16.937  -5.252
  519    HB3  TYR  70           HB1      TYR  70 -33.749 -15.510  -4.269
  520    HD1  TYR  70           HD2      TYR  70 -34.438 -15.783  -1.867
  521    HD2  TYR  70           HD1      TYR  70 -33.077 -19.081  -4.263
  522    HE1  TYR  70           HE2      TYR  70 -34.057 -17.114   0.188
  523    HE2  TYR  70           HE1      TYR  70 -32.694 -20.413  -2.205
  524    HH   TYR  70           HH       TYR  70 -33.240 -19.007   1.023
  525    H    GLN  71           HN       GLN  71 -35.647 -18.627  -3.320
  526    HA   GLN  71           HA       GLN  71 -35.382 -20.830  -4.928
  527    HB2  GLN  71           HB2      GLN  71 -36.940 -22.003  -3.273
  528    HB3  GLN  71           HB1      GLN  71 -35.489 -21.234  -2.627
  529    HG2  GLN  71           HG2      GLN  71 -36.785 -19.253  -2.005
  530    HG3  GLN  71           HG1      GLN  71 -38.241 -19.971  -2.697
  531   HE21  GLN  71          HE21      GLN  71 -35.702 -21.544  -0.687
  532   HE22  GLN  71          HE22      GLN  71 -36.768 -22.006   0.556
  533    H    ARG  72           HN       ARG  72 -37.824 -18.580  -5.234
  534    HA   ARG  72           HA       ARG  72 -39.937 -20.313  -6.082
  535    HB2  ARG  72           HB2      ARG  72 -39.478 -17.386  -6.599
  536    HB3  ARG  72           HB1      ARG  72 -41.006 -18.231  -6.801
  537    HG2  ARG  72           HG2      ARG  72 -39.565 -18.197  -4.148
  538    HG3  ARG  72           HG1      ARG  72 -40.635 -16.882  -4.618
  539    HD2  ARG  72           HD2      ARG  72 -41.394 -19.806  -4.394
  540    HD3  ARG  72           HD1      ARG  72 -41.875 -18.513  -3.304
  541    HE   ARG  72           HE       ARG  72 -42.763 -17.615  -5.698
  542   HH11  ARG  72          HH21      ARG  72 -43.022 -20.622  -4.016
  543   HH12  ARG  72          HH22      ARG  72 -44.569 -21.020  -4.683
  544   HH21  ARG  72          HH11      ARG  72 -44.785 -18.125  -6.582
  545   HH22  ARG  72          HH12      ARG  72 -45.570 -19.603  -6.140
  546    H    TRP  73           HN       TRP  73 -36.996 -19.540  -7.471
  547    HA   TRP  73           HA       TRP  73 -38.060 -19.908 -10.243
  548    HB2  TRP  73           HB2      TRP  73 -36.009 -18.757 -11.017
  549    HB3  TRP  73           HB1      TRP  73 -37.038 -17.729 -10.026
  550    HD1  TRP  73           HD1      TRP  73 -35.172 -20.141  -7.898
  551    HE1  TRP  73           HE1      TRP  73 -33.256 -19.028  -6.727
  552    HE3  TRP  73           HE3      TRP  73 -35.048 -15.802 -10.529
  553    HZ2  TRP  73           HZ2      TRP  73 -31.806 -16.583  -6.864
  554    HZ3  TRP  73           HZ3      TRP  73 -33.353 -14.086  -9.973
  555    HH2  TRP  73           HH2      TRP  73 -31.742 -14.480  -8.133
  556    H    MET  74           HN       MET  74 -37.255 -21.892  -8.143
  557    HA   MET  74           HA       MET  74 -36.463 -24.047  -8.291
  558    HB2  MET  74           HB2      MET  74 -34.769 -23.187 -10.652
  559    HB3  MET  74           HB1      MET  74 -34.989 -24.819 -10.060
  560    HG2  MET  74           HG2      MET  74 -37.249 -23.076 -11.089
  561    HG3  MET  74           HG1      MET  74 -36.419 -24.311 -12.034
  562    HE1  MET  74           HE1      MET  74 -39.741 -24.189 -11.171
  563    HE2  MET  74           HE2      MET  74 -39.808 -25.929 -11.435
  564    HE3  MET  74           HE3      MET  74 -38.792 -24.928 -12.469
  565    H    GLY  75           HN       GLY  75 -35.305 -21.628  -6.956
  566    HA2  GLY  75           HA2      GLY  75 -33.336 -20.918  -5.892
  567    HA3  GLY  75           HA1      GLY  75 -33.461 -22.563  -5.273
  568    H    LEU  76           HN       LEU  76 -32.509 -21.159  -8.437
  569    HA   LEU  76           HA       LEU  76 -30.378 -23.070  -8.751
  570    HB2  LEU  76           HB2      LEU  76 -30.836 -20.518 -10.299
  571    HB3  LEU  76           HB1      LEU  76 -29.970 -21.963 -10.837
  572    HG   LEU  76           HG       LEU  76 -32.919 -21.887 -10.152
  573   HD11  LEU  76          HD11      LEU  76 -32.604 -20.590 -12.146
  574   HD12  LEU  76          HD12      LEU  76 -33.149 -22.184 -12.668
  575   HD13  LEU  76          HD13      LEU  76 -31.443 -21.750 -12.791
  576   HD21  LEU  76          HD21      LEU  76 -32.119 -24.115  -9.862
  577   HD22  LEU  76          HD22      LEU  76 -31.050 -23.998 -11.256
  578   HD23  LEU  76          HD23      LEU  76 -32.794 -24.093 -11.488
  579    H    ASN  77           HN       ASN  77 -30.493 -20.797  -6.603
  580    HA   ASN  77           HA       ASN  77 -28.558 -20.173  -5.336
  581    HB2  ASN  77           HB2      ASN  77 -26.978 -20.965  -7.136
  582    HB3  ASN  77           HB1      ASN  77 -27.256 -19.427  -7.959
  583   HD21  ASN  77          HD21      ASN  77 -24.864 -19.136  -7.610
  584   HD22  ASN  77          HD22      ASN  77 -24.336 -18.519  -6.113
  585    H    ASP  78           HN       ASP  78 -27.677 -17.906  -5.008
  586    HA   ASP  78           HA       ASP  78 -29.745 -15.947  -5.821
  587    HB2  ASP  78           HB2      ASP  78 -28.935 -14.626  -3.917
  588    HB3  ASP  78           HB1      ASP  78 -29.428 -16.237  -3.408
  589    H    ARG  79           HN       ARG  79 -28.389 -16.076  -7.955
  590    HA   ARG  79           HA       ARG  79 -26.473 -13.845  -7.905
  591    HB2  ARG  79           HB2      ARG  79 -25.229 -16.048  -7.819
  592    HB3  ARG  79           HB1      ARG  79 -25.904 -16.403  -9.401
  593    HG2  ARG  79           HG2      ARG  79 -23.709 -15.434  -9.734
  594    HG3  ARG  79           HG1      ARG  79 -24.916 -14.263 -10.252
  595    HD2  ARG  79           HD2      ARG  79 -24.486 -12.827  -8.478
  596    HD3  ARG  79           HD1      ARG  79 -23.968 -14.129  -7.409
  597    HE   ARG  79           HE       ARG  79 -22.297 -12.591  -9.158
  598   HH11  ARG  79          HH21      ARG  79 -22.805 -15.714  -7.761
  599   HH12  ARG  79          HH22      ARG  79 -21.133 -16.160  -7.807
  600   HH21  ARG  79          HH11      ARG  79 -20.105 -13.166  -9.220
  601   HH22  ARG  79          HH12      ARG  79 -19.604 -14.717  -8.633
  602    H    LEU  80           HN       LEU  80 -28.445 -12.854  -8.827
  603    HA   LEU  80           HA       LEU  80 -28.957 -13.622 -11.626
  604    HB2  LEU  80           HB2      LEU  80 -30.767 -13.203  -9.712
  605    HB3  LEU  80           HB1      LEU  80 -30.564 -11.529 -10.203
  606    HG   LEU  80           HG       LEU  80 -32.406 -12.504 -11.436
  607   HD11  LEU  80          HD11      LEU  80 -30.173 -12.397 -13.443
  608   HD12  LEU  80          HD12      LEU  80 -30.608 -10.962 -12.511
  609   HD13  LEU  80          HD13      LEU  80 -31.802 -11.729 -13.545
  610   HD21  LEU  80          HD21      LEU  80 -30.671 -14.460 -12.901
  611   HD22  LEU  80          HD22      LEU  80 -32.383 -14.548 -12.500
  612   HD23  LEU  80          HD23      LEU  80 -31.177 -14.900 -11.268
  613    H    SER  81           HN       SER  81 -28.229 -12.471 -13.226
  614    HA   SER  81           HA       SER  81 -27.010  -9.831 -12.673
  615    HB2  SER  81           HB2      SER  81 -25.395 -10.325 -14.215
  616    HB3  SER  81           HB1      SER  81 -25.743 -11.950 -13.649
  617    HG   SER  81           HG       SER  81 -27.080 -12.237 -15.425
  618    H    SER  82           HN       SER  82 -26.780  -8.983 -15.323
  619    HA   SER  82           HA       SER  82 -29.039  -7.526 -15.765
  620    HB2  SER  82           HB2      SER  82 -27.115  -7.010 -17.052
  621    HB3  SER  82           HB1      SER  82 -27.049  -8.634 -17.737
  622    HG   SER  82           HG       SER  82 -28.555  -8.110 -19.123
  623    H    CYS  83           HN       CYS  83 -30.327  -7.783 -17.995
  624    HA   CYS  83           HA       CYS  83 -31.240 -10.518 -18.389
  625    HB2  CYS  83           HB2      CYS  83 -33.485 -10.155 -17.707
  626    HB3  CYS  83           HB1      CYS  83 -32.494  -9.482 -16.406
  627    HG   CYS  83           HG       CYS  83 -33.753  -7.663 -18.621
  628    H    ARG  84           HN       ARG  84 -32.604 -10.732 -20.294
  629    HA   ARG  84           HA       ARG  84 -32.568  -8.360 -22.082
  630    HB2  ARG  84           HB2      ARG  84 -32.210 -11.280 -22.803
  631    HB3  ARG  84           HB1      ARG  84 -32.303  -9.945 -23.953
  632    HG2  ARG  84           HG2      ARG  84 -30.316  -8.908 -22.910
  633    HG3  ARG  84           HG1      ARG  84 -30.219 -10.253 -21.773
  634    HD2  ARG  84           HD2      ARG  84 -28.668 -10.690 -23.576
  635    HD3  ARG  84           HD1      ARG  84 -30.021 -11.809 -23.738
  636    HE   ARG  84           HE       ARG  84 -30.509  -9.440 -25.239
  637   HH11  ARG  84          HH21      ARG  84 -28.640 -12.351 -25.170
  638   HH12  ARG  84          HH22      ARG  84 -28.462 -12.442 -26.890
  639   HH21  ARG  84          HH11      ARG  84 -30.277  -9.549 -27.494
  640   HH22  ARG  84          HH12      ARG  84 -29.390 -10.854 -28.207
  641    H    ALA  85           HN       ALA  85 -34.495  -7.765 -22.851
  642    HA   ALA  85           HA       ALA  85 -36.894  -8.939 -21.939
  643    HB1  ALA  85           HB1      ALA  85 -36.616  -7.172 -24.373
  644    HB2  ALA  85           HB2      ALA  85 -36.556  -6.547 -22.727
  645    HB3  ALA  85           HB3      ALA  85 -38.015  -7.339 -23.316
  646    H    VAL  86           HN       VAL  86 -38.006 -10.651 -22.652
  647    HA   VAL  86           HA       VAL  86 -37.473 -11.629 -25.419
  648    HB   VAL  86           HB       VAL  86 -37.892 -13.192 -22.858
  649   HG11  VAL  86          HG11      VAL  86 -39.159 -14.362 -24.508
  650   HG12  VAL  86          HG12      VAL  86 -37.604 -15.189 -24.422
  651   HG13  VAL  86          HG13      VAL  86 -37.937 -14.077 -25.749
  652   HG21  VAL  86          HG21      VAL  86 -35.696 -14.242 -23.764
  653   HG22  VAL  86          HG22      VAL  86 -35.605 -12.641 -23.034
  654   HG23  VAL  86          HG23      VAL  86 -35.598 -12.812 -24.789
  655    H    HIS  87           HN       HIS  87 -39.182 -11.844 -26.681
  656    HA   HIS  87           HA       HIS  87 -41.881 -11.525 -25.516
  657    HB2  HIS  87           HB2      HIS  87 -40.913 -11.213 -28.372
  658    HB3  HIS  87           HB1      HIS  87 -42.566 -10.945 -27.813
  659    HD2  HIS  87           HD2      HIS  87 -39.289  -8.979 -28.117
  660    HE1  HIS  87           HE1      HIS  87 -41.744  -6.769 -25.486
  661    HE2  HIS  87           HE2      HIS  87 -39.609  -6.711 -26.862
  662    H    LEU  88           HN       LEU  88 -43.621 -12.795 -26.505
  663    HA   LEU  88           HA       LEU  88 -42.825 -15.573 -26.684
  664    HB2  LEU  88           HB2      LEU  88 -45.641 -14.490 -26.859
  665    HB3  LEU  88           HB1      LEU  88 -45.118 -16.090 -26.367
  666    HG   LEU  88           HG       LEU  88 -45.661 -14.959 -24.354
  667   HD11  LEU  88          HD11      LEU  88 -43.439 -16.213 -24.512
  668   HD12  LEU  88          HD12      LEU  88 -43.640 -15.125 -23.140
  669   HD13  LEU  88          HD13      LEU  88 -42.671 -14.626 -24.527
  670   HD21  LEU  88          HD21      LEU  88 -45.345 -12.745 -23.888
  671   HD22  LEU  88          HD22      LEU  88 -45.205 -12.591 -25.633
  672   HD23  LEU  88          HD23      LEU  88 -43.752 -12.689 -24.635
  673    HA   PRO  89           HA       PRO  89 -43.039 -15.772 -31.117
  674    HB2  PRO  89           HB2      PRO  89 -43.672 -18.410 -31.499
  675    HB3  PRO  89           HB1      PRO  89 -42.067 -17.866 -30.969
  676    HG2  PRO  89           HG2      PRO  89 -44.331 -18.939 -29.334
  677    HG3  PRO  89           HG1      PRO  89 -42.598 -19.312 -29.240
  678    HD2  PRO  89           HD2      PRO  89 -43.779 -17.576 -27.514
  679    HD3  PRO  89           HD1      PRO  89 -42.101 -17.366 -28.055
  680    H    SER  90           HN       SER  90 -44.491 -16.079 -32.903
  681    HA   SER  90           HA       SER  90 -47.195 -16.839 -32.576
  682    HB2  SER  90           HB2      SER  90 -48.339 -14.806 -32.474
  683    HB3  SER  90           HB1      SER  90 -46.996 -14.548 -31.363
  684    HG   SER  90           HG       SER  90 -46.893 -13.891 -34.118
  685    H    GLY  91           HN       GLY  91 -44.603 -15.510 -34.388
  686    HA2  GLY  91           HA2      GLY  91 -45.957 -14.983 -36.814
  687    HA3  GLY  91           HA1      GLY  91 -44.230 -15.278 -36.645
  688    H    GLY  92           HN       GLY  92 -44.134 -17.830 -35.698
  689    HA2  GLY  92           HA2      GLY  92 -45.344 -19.415 -37.906
  690    HA3  GLY  92           HA1      GLY  92 -43.783 -19.763 -37.159
  691    H    GLN  93           HN       GLN  93 -47.008 -19.044 -35.833
  692    HA   GLN  93           HA       GLN  93 -48.019 -19.986 -33.942
  693    HB2  GLN  93           HB2      GLN  93 -48.596 -22.473 -34.559
  694    HB3  GLN  93           HB1      GLN  93 -49.238 -21.160 -35.546
  695    HG2  GLN  93           HG2      GLN  93 -47.450 -21.455 -37.180
  696    HG3  GLN  93           HG1      GLN  93 -46.699 -22.690 -36.175
  697   HE21  GLN  93          HE21      GLN  93 -47.985 -24.724 -35.811
  698   HE22  GLN  93          HE22      GLN  93 -49.083 -25.215 -37.018
  699    H    TYR  94           HN       TYR  94 -46.849 -23.150 -34.453
  700    HA   TYR  94           HA       TYR  94 -44.588 -22.947 -32.649
  701    HB2  TYR  94           HB2      TYR  94 -46.749 -22.980 -31.249
  702    HB3  TYR  94           HB1      TYR  94 -46.872 -24.672 -31.730
  703    HD1  TYR  94           HD1      TYR  94 -44.358 -22.229 -30.418
  704    HD2  TYR  94           HD2      TYR  94 -45.793 -26.275 -30.388
  705    HE1  TYR  94           HE1      TYR  94 -42.685 -22.807 -28.685
  706    HE2  TYR  94           HE2      TYR  94 -44.118 -26.853 -28.655
  707    HH   TYR  94           HH       TYR  94 -41.902 -24.389 -27.347
  708    H    LYS  95           HN       LYS  95 -43.149 -24.197 -33.704
  709    HA   LYS  95           HA       LYS  95 -43.852 -26.967 -34.319
  710    HB2  LYS  95           HB2      LYS  95 -44.534 -25.675 -36.335
  711    HB3  LYS  95           HB1      LYS  95 -42.882 -25.092 -36.484
  712    HG2  LYS  95           HG2      LYS  95 -43.162 -26.983 -37.974
  713    HG3  LYS  95           HG1      LYS  95 -42.105 -27.471 -36.655
  714    HD2  LYS  95           HD2      LYS  95 -43.692 -28.850 -35.677
  715    HD3  LYS  95           HD1      LYS  95 -45.054 -27.943 -36.346
  716    HE2  LYS  95           HE2      LYS  95 -43.191 -29.768 -37.899
  717    HE3  LYS  95           HE1      LYS  95 -44.873 -30.101 -37.478
  718    HZ1  LYS  95           HZ1      LYS  95 -45.044 -27.710 -38.689
  719    HZ2  LYS  95           HZ2      LYS  95 -45.308 -29.204 -39.452
  720    HZ3  LYS  95           HZ3      LYS  95 -43.795 -28.441 -39.570
  721    H    ILE  96           HN       ILE  96 -42.197 -28.247 -33.875
  722    HA   ILE  96           HA       ILE  96 -39.435 -27.188 -34.044
  723    HB   ILE  96           HB       ILE  96 -39.813 -27.075 -31.737
  724   HG12  ILE  96          HG12      ILE  96 -38.852 -29.927 -31.962
  725   HG13  ILE  96          HG11      ILE  96 -37.856 -28.584 -32.511
  726   HG21  ILE  96          HG21      ILE  96 -41.007 -28.795 -30.449
  727   HG22  ILE  96          HG22      ILE  96 -41.189 -29.769 -31.908
  728   HG23  ILE  96          HG23      ILE  96 -42.025 -28.225 -31.771
  729   HD11  ILE  96          HD11      ILE  96 -38.919 -29.040 -29.715
  730   HD12  ILE  96          HD12      ILE  96 -38.107 -27.558 -30.226
  731   HD13  ILE  96          HD13      ILE  96 -37.236 -29.092 -30.234
  732    H    GLN  97           HN       GLN  97 -37.926 -28.561 -34.721
  733    HA   GLN  97           HA       GLN  97 -38.718 -31.343 -35.377
  734    HB2  GLN  97           HB2      GLN  97 -37.288 -29.253 -36.979
  735    HB3  GLN  97           HB1      GLN  97 -36.760 -30.925 -37.160
  736    HG2  GLN  97           HG2      GLN  97 -39.051 -31.609 -37.710
  737    HG3  GLN  97           HG1      GLN  97 -39.615 -29.955 -37.488
  738   HE21  GLN  97          HE21      GLN  97 -36.460 -30.268 -38.892
  739   HE22  GLN  97          HE22      GLN  97 -36.916 -29.943 -40.500
  740    H    ILE  98           HN       ILE  98 -37.507 -32.847 -34.438
  741    HA   ILE  98           HA       ILE  98 -34.941 -32.024 -33.170
  742    HB   ILE  98           HB       ILE  98 -36.713 -34.305 -32.256
  743   HG12  ILE  98          HG12      ILE  98 -36.796 -31.422 -31.318
  744   HG13  ILE  98          HG11      ILE  98 -38.062 -32.222 -32.249
  745   HG21  ILE  98          HG21      ILE  98 -34.678 -32.553 -30.867
  746   HG22  ILE  98          HG22      ILE  98 -34.368 -34.179 -31.481
  747   HG23  ILE  98          HG23      ILE  98 -35.504 -33.938 -30.160
  748   HD11  ILE  98          HD11      ILE  98 -38.928 -32.617 -30.170
  749   HD12  ILE  98          HD12      ILE  98 -37.358 -32.523 -29.379
  750   HD13  ILE  98          HD13      ILE  98 -37.835 -34.000 -30.217
  751    H    PHE  99           HN       PHE  99 -33.173 -33.165 -33.758
  752    HA   PHE  99           HA       PHE  99 -33.580 -35.605 -35.409
  753    HB2  PHE  99           HB2      PHE  99 -31.456 -33.461 -35.442
  754    HB3  PHE  99           HB1      PHE  99 -31.186 -35.039 -36.180
  755    HD1  PHE  99           HD1      PHE  99 -33.451 -32.076 -36.204
  756    HD2  PHE  99           HD2      PHE  99 -32.129 -35.592 -38.295
  757    HE1  PHE  99           HE1      PHE  99 -34.713 -31.356 -38.213
  758    HE2  PHE  99           HE2      PHE  99 -33.392 -34.867 -40.305
  759    HZ   PHE  99           HZ       PHE  99 -34.679 -32.748 -40.265
  760    H    GLU 100           HN       GLU 100 -32.807 -37.470 -34.714
  761    HA   GLU 100           HA       GLU 100 -31.852 -37.819 -32.101
  762    HB2  GLU 100           HB2      GLU 100 -32.983 -39.592 -33.407
  763    HB3  GLU 100           HB1      GLU 100 -31.565 -39.699 -34.458
  764    HG2  GLU 100           HG2      GLU 100 -30.165 -40.343 -32.555
  765    HG3  GLU 100           HG1      GLU 100 -31.533 -40.149 -31.457
  766    H    LYS 101           HN       LYS 101 -30.190 -37.326 -35.139
  767    HA   LYS 101           HA       LYS 101 -27.573 -37.504 -33.738
  768    HB2  LYS 101           HB2      LYS 101 -28.155 -37.895 -36.681
  769    HB3  LYS 101           HB1      LYS 101 -26.609 -38.126 -35.870
  770    HG2  LYS 101           HG2      LYS 101 -27.497 -39.953 -34.569
  771    HG3  LYS 101           HG1      LYS 101 -29.124 -39.663 -35.183
  772    HD2  LYS 101           HD2      LYS 101 -28.347 -40.176 -37.468
  773    HD3  LYS 101           HD1      LYS 101 -26.730 -40.507 -36.841
  774    HE2  LYS 101           HE2      LYS 101 -29.209 -41.946 -35.872
  775    HE3  LYS 101           HE1      LYS 101 -28.186 -42.559 -37.172
  776    HZ1  LYS 101           HZ1      LYS 101 -26.765 -43.334 -35.680
  777    HZ2  LYS 101           HZ2      LYS 101 -27.812 -42.843 -34.435
  778    HZ3  LYS 101           HZ3      LYS 101 -26.585 -41.800 -34.980
  779    H    GLY 102           HN       GLY 102 -25.999 -35.909 -34.285
  780    HA2  GLY 102           HA2      GLY 102 -27.033 -33.306 -34.664
  781    HA3  GLY 102           HA1      GLY 102 -25.329 -33.733 -34.680
  782    H    ASP 103           HN       ASP 103 -25.416 -31.993 -36.420
  783    HA   ASP 103           HA       ASP 103 -25.484 -31.327 -38.630
  784    HB2  ASP 103           HB2      ASP 103 -23.642 -33.081 -38.512
  785    HB3  ASP 103           HB1      ASP 103 -24.807 -34.215 -39.197
  786    H    PHE 104           HN       PHE 104 -27.996 -32.353 -37.503
  787    HA   PHE 104           HA       PHE 104 -30.115 -32.918 -38.176
  788    HB2  PHE 104           HB2      PHE 104 -29.240 -32.192 -40.968
  789    HB3  PHE 104           HB1      PHE 104 -30.832 -32.017 -40.228
  790    HD1  PHE 104           HD2      PHE 104 -30.816 -30.603 -37.962
  791    HD2  PHE 104           HD1      PHE 104 -27.916 -30.266 -41.110
  792    HE1  PHE 104           HE2      PHE 104 -30.231 -28.330 -37.177
  793    HE2  PHE 104           HE1      PHE 104 -27.321 -27.994 -40.319
  794    HZ   PHE 104           HZ       PHE 104 -28.473 -27.028 -38.352
  795    H    SER 105           HN       SER 105 -29.625 -35.195 -37.756
  796    HA   SER 105           HA       SER 105 -30.130 -36.801 -40.105
  797    HB2  SER 105           HB2      SER 105 -27.484 -36.898 -38.671
  798    HB3  SER 105           HB1      SER 105 -28.124 -38.330 -39.470
  799    HG   SER 105           HG       SER 105 -28.149 -37.209 -41.395
  800    H    GLY 106           HN       GLY 106 -30.516 -39.055 -39.540
  801    HA2  GLY 106           HA2      GLY 106 -31.078 -40.798 -38.057
  802    HA3  GLY 106           HA1      GLY 106 -30.979 -39.664 -36.718
  803    H    GLN 107           HN       GLN 107 -32.967 -40.248 -35.868
  804    HA   GLN 107           HA       GLN 107 -35.371 -40.187 -37.454
  805    HB2  GLN 107           HB2      GLN 107 -35.259 -41.717 -35.581
  806    HB3  GLN 107           HB1      GLN 107 -34.919 -40.395 -34.469
  807    HG2  GLN 107           HG2      GLN 107 -37.295 -41.120 -34.380
  808    HG3  GLN 107           HG1      GLN 107 -37.135 -39.436 -34.883
  809   HE21  GLN 107          HE21      GLN 107 -38.983 -39.293 -36.214
  810   HE22  GLN 107          HE22      GLN 107 -39.204 -40.227 -37.616
  811    H    MET 108           HN       MET 108 -36.887 -38.590 -37.605
  812    HA   MET 108           HA       MET 108 -36.298 -36.038 -36.246
  813    HB2  MET 108           HB2      MET 108 -35.840 -35.986 -38.693
  814    HB3  MET 108           HB1      MET 108 -37.543 -36.360 -38.964
  815    HG2  MET 108           HG2      MET 108 -38.175 -34.321 -37.691
  816    HG3  MET 108           HG1      MET 108 -36.465 -33.943 -37.479
  817    HE1  MET 108           HE1      MET 108 -39.547 -33.369 -39.559
  818    HE2  MET 108           HE2      MET 108 -39.094 -34.998 -40.050
  819    HE3  MET 108           HE3      MET 108 -39.050 -33.687 -41.226
  820    H    TYR 109           HN       TYR 109 -37.875 -35.249 -34.961
  821    HA   TYR 109           HA       TYR 109 -40.617 -36.319 -35.317
  822    HB2  TYR 109           HB2      TYR 109 -39.052 -35.625 -32.834
  823    HB3  TYR 109           HB1      TYR 109 -40.801 -35.827 -32.849
  824    HD1  TYR 109           HD2      TYR 109 -41.653 -38.028 -34.107
  825    HD2  TYR 109           HD1      TYR 109 -37.756 -37.524 -32.367
  826    HE1  TYR 109           HE2      TYR 109 -41.406 -40.487 -33.952
  827    HE2  TYR 109           HE1      TYR 109 -37.510 -39.987 -32.212
  828    HH   TYR 109           HH       TYR 109 -39.517 -42.139 -33.845
  829    H    GLU 110           HN       GLU 110 -42.222 -34.931 -35.446
  830    HA   GLU 110           HA       GLU 110 -41.689 -32.057 -34.995
  831    HB2  GLU 110           HB2      GLU 110 -43.490 -31.816 -36.867
  832    HB3  GLU 110           HB1      GLU 110 -41.822 -32.143 -37.318
  833    HG2  GLU 110           HG2      GLU 110 -42.316 -34.529 -37.517
  834    HG3  GLU 110           HG1      GLU 110 -43.973 -34.250 -36.979
  835    H    THR 111           HN       THR 111 -43.004 -31.117 -33.577
  836    HA   THR 111           HA       THR 111 -45.758 -32.066 -33.271
  837    HB   THR 111           HB       THR 111 -44.288 -33.366 -31.675
  838    HG1  THR 111           HG1      THR 111 -45.795 -33.176 -30.094
  839   HG21  THR 111          HG21      THR 111 -43.260 -32.275 -29.835
  840   HG22  THR 111          HG22      THR 111 -44.103 -30.759 -30.158
  841   HG23  THR 111          HG23      THR 111 -42.816 -31.303 -31.237
  842    H    THR 112           HN       THR 112 -47.104 -30.419 -33.049
  843    HA   THR 112           HA       THR 112 -46.018 -27.724 -32.655
  844    HB   THR 112           HB       THR 112 -47.875 -26.949 -33.778
  845    HG1  THR 112           HG1      THR 112 -49.827 -27.559 -33.255
  846   HG21  THR 112          HG21      THR 112 -46.725 -28.899 -35.057
  847   HG22  THR 112          HG22      THR 112 -48.291 -28.335 -35.635
  848   HG23  THR 112          HG23      THR 112 -48.184 -29.809 -34.673
  849    H    GLU 113           HN       GLU 113 -46.046 -29.448 -30.387
  850    HA   GLU 113           HA       GLU 113 -47.705 -27.834 -28.575
  851    HB2  GLU 113           HB2      GLU 113 -48.306 -30.027 -27.352
  852    HB3  GLU 113           HB1      GLU 113 -49.196 -29.636 -28.830
  853    HG2  GLU 113           HG2      GLU 113 -47.721 -31.099 -30.133
  854    HG3  GLU 113           HG1      GLU 113 -46.769 -31.450 -28.690
  855    H    ASP 114           HN       ASP 114 -47.244 -28.831 -26.206
  856    HA   ASP 114           HA       ASP 114 -44.370 -28.522 -25.839
  857    HB2  ASP 114           HB2      ASP 114 -45.005 -28.660 -23.394
  858    HB3  ASP 114           HB1      ASP 114 -45.695 -27.311 -24.285
  859    H    CYS 115           HN       CYS 115 -43.171 -29.968 -24.518
  860    HA   CYS 115           HA       CYS 115 -44.168 -32.747 -24.511
  861    HB2  CYS 115           HB2      CYS 115 -42.652 -32.476 -26.394
  862    HB3  CYS 115           HB1      CYS 115 -41.422 -31.803 -25.326
  863    HG   CYS 115           HG       CYS 115 -40.836 -34.298 -25.389
  864    HA   PRO 116           HA       PRO 116 -42.507 -32.153 -20.334
  865    HB2  PRO 116           HB2      PRO 116 -43.419 -34.467 -19.209
  866    HB3  PRO 116           HB1      PRO 116 -44.490 -33.090 -19.540
  867    HG2  PRO 116           HG2      PRO 116 -44.121 -35.608 -21.091
  868    HG3  PRO 116           HG1      PRO 116 -45.606 -34.712 -20.744
  869    HD2  PRO 116           HD2      PRO 116 -44.232 -34.569 -23.151
  870    HD3  PRO 116           HD1      PRO 116 -45.308 -33.285 -22.544
  871    H    SER 117           HN       SER 117 -42.408 -35.484 -21.631
  872    HA   SER 117           HA       SER 117 -39.501 -35.627 -20.978
  873    HB2  SER 117           HB2      SER 117 -41.614 -37.791 -20.912
  874    HB3  SER 117           HB1      SER 117 -39.883 -38.127 -20.866
  875    HG   SER 117           HG       SER 117 -39.745 -37.039 -18.950
  876    H    ILE 118           HN       ILE 118 -38.344 -35.492 -22.794
  877    HA   ILE 118           HA       ILE 118 -39.446 -35.913 -25.375
  878    HB   ILE 118           HB       ILE 118 -37.376 -34.506 -24.452
  879   HG12  ILE 118          HG12      ILE 118 -37.439 -35.645 -27.254
  880   HG13  ILE 118          HG11      ILE 118 -38.422 -34.293 -26.685
  881   HG21  ILE 118          HG21      ILE 118 -35.991 -36.908 -25.652
  882   HG22  ILE 118          HG22      ILE 118 -36.011 -36.513 -23.930
  883   HG23  ILE 118          HG23      ILE 118 -35.231 -35.427 -25.075
  884   HD11  ILE 118          HD11      ILE 118 -35.456 -34.090 -26.332
  885   HD12  ILE 118          HD12      ILE 118 -36.655 -32.834 -26.652
  886   HD13  ILE 118          HD13      ILE 118 -36.125 -33.891 -27.943
  887    H    MET 119           HN       MET 119 -37.233 -37.796 -23.375
  888    HA   MET 119           HA       MET 119 -36.773 -39.840 -25.249
  889    HB2  MET 119           HB2      MET 119 -35.364 -39.401 -23.250
  890    HB3  MET 119           HB1      MET 119 -36.665 -40.026 -22.244
  891    HG2  MET 119           HG2      MET 119 -36.534 -42.197 -23.281
  892    HG3  MET 119           HG1      MET 119 -35.412 -41.600 -24.500
  893    HE1  MET 119           HE1      MET 119 -35.008 -44.007 -23.323
  894    HE2  MET 119           HE2      MET 119 -33.673 -44.201 -22.189
  895    HE3  MET 119           HE3      MET 119 -33.361 -43.567 -23.804
  896    H    GLU 120           HN       GLU 120 -39.454 -39.168 -23.206
  897    HA   GLU 120           HA       GLU 120 -40.422 -41.843 -22.977
  898    HB2  GLU 120           HB2      GLU 120 -41.034 -40.061 -21.413
  899    HB3  GLU 120           HB1      GLU 120 -41.881 -39.214 -22.708
  900    HG2  GLU 120           HG2      GLU 120 -43.490 -40.477 -21.394
  901    HG3  GLU 120           HG1      GLU 120 -43.369 -41.217 -22.981
  902    H    GLN 121           HN       GLN 121 -41.315 -39.095 -25.067
  903    HA   GLN 121           HA       GLN 121 -43.079 -40.891 -26.586
  904    HB2  GLN 121           HB2      GLN 121 -44.077 -38.882 -27.485
  905    HB3  GLN 121           HB1      GLN 121 -44.038 -38.813 -25.731
  906    HG2  GLN 121           HG2      GLN 121 -42.606 -37.022 -25.686
  907    HG3  GLN 121           HG1      GLN 121 -41.658 -37.613 -27.051
  908   HE21  GLN 121          HE21      GLN 121 -42.925 -34.883 -26.506
  909   HE22  GLN 121          HE22      GLN 121 -43.840 -34.557 -27.897
  910    H    PHE 122           HN       PHE 122 -40.069 -39.155 -26.895
  911    HA   PHE 122           HA       PHE 122 -40.015 -39.821 -29.784
  912    HB2  PHE 122           HB2      PHE 122 -38.441 -37.735 -28.266
  913    HB3  PHE 122           HB1      PHE 122 -38.276 -38.086 -29.982
  914    HD1  PHE 122           HD2      PHE 122 -40.903 -38.318 -31.094
  915    HD2  PHE 122           HD1      PHE 122 -39.626 -35.753 -27.902
  916    HE1  PHE 122           HE2      PHE 122 -42.755 -36.766 -31.589
  917    HE2  PHE 122           HE1      PHE 122 -41.466 -34.193 -28.410
  918    HZ   PHE 122           HZ       PHE 122 -43.034 -34.702 -30.257
  919    H    HIS 123           HN       HIS 123 -39.033 -41.031 -26.941
  920    HA   HIS 123           HA       HIS 123 -37.375 -42.492 -26.313
  921    HB2  HIS 123           HB2      HIS 123 -37.478 -42.987 -29.289
  922    HB3  HIS 123           HB1      HIS 123 -36.604 -44.013 -28.145
  923    HD2  HIS 123           HD2      HIS 123 -39.085 -45.580 -29.430
  924    HE1  HIS 123           HE1      HIS 123 -41.305 -44.467 -26.012
  925    HE2  HIS 123           HE2      HIS 123 -41.222 -46.049 -28.002
  926    H    MET 124           HN       MET 124 -36.663 -39.692 -27.568
  927    HA   MET 124           HA       MET 124 -33.932 -40.084 -28.408
  928    HB2  MET 124           HB2      MET 124 -35.639 -37.666 -27.835
  929    HB3  MET 124           HB1      MET 124 -33.916 -37.532 -28.164
  930    HG2  MET 124           HG2      MET 124 -34.192 -38.616 -30.323
  931    HG3  MET 124           HG1      MET 124 -35.900 -38.899 -29.995
  932    HE1  MET 124           HE1      MET 124 -35.736 -36.352 -32.840
  933    HE2  MET 124           HE2      MET 124 -35.248 -37.988 -32.410
  934    HE3  MET 124           HE3      MET 124 -34.056 -36.690 -32.404
  935    H    ARG 125           HN       ARG 125 -32.151 -39.997 -27.172
  936    HA   ARG 125           HA       ARG 125 -32.520 -39.614 -24.264
  937    HB2  ARG 125           HB2      ARG 125 -30.113 -40.774 -24.408
  938    HB3  ARG 125           HB1      ARG 125 -31.592 -41.727 -24.484
  939    HG2  ARG 125           HG2      ARG 125 -31.490 -41.890 -26.859
  940    HG3  ARG 125           HG1      ARG 125 -30.254 -40.639 -26.964
  941    HD2  ARG 125           HD2      ARG 125 -29.222 -42.832 -27.247
  942    HD3  ARG 125           HD1      ARG 125 -28.688 -42.115 -25.729
  943    HE   ARG 125           HE       ARG 125 -30.990 -43.755 -25.330
  944   HH11  ARG 125          HH21      ARG 125 -27.583 -43.803 -25.930
  945   HH12  ARG 125          HH22      ARG 125 -27.326 -45.324 -25.145
  946   HH21  ARG 125          HH11      ARG 125 -30.660 -45.752 -24.298
  947   HH22  ARG 125          HH12      ARG 125 -29.068 -46.428 -24.221
  948    H    GLU 126           HN       GLU 126 -30.829 -38.475 -27.105
  949    HA   GLU 126           HA       GLU 126 -29.853 -36.187 -25.605
  950    HB2  GLU 126           HB2      GLU 126 -27.511 -36.856 -26.954
  951    HB3  GLU 126           HB1      GLU 126 -27.801 -37.085 -25.236
  952    HG2  GLU 126           HG2      GLU 126 -28.516 -39.349 -25.587
  953    HG3  GLU 126           HG1      GLU 126 -28.532 -39.128 -27.335
  954    H    ILE 127           HN       ILE 127 -30.621 -34.646 -26.751
  955    HA   ILE 127           HA       ILE 127 -30.983 -34.797 -29.603
  956    HB   ILE 127           HB       ILE 127 -31.153 -32.280 -27.941
  957   HG12  ILE 127          HG12      ILE 127 -32.528 -33.814 -26.726
  958   HG13  ILE 127          HG11      ILE 127 -33.633 -32.927 -27.772
  959   HG21  ILE 127          HG21      ILE 127 -32.890 -31.737 -29.637
  960   HG22  ILE 127          HG22      ILE 127 -32.526 -33.258 -30.451
  961   HG23  ILE 127          HG23      ILE 127 -31.311 -32.002 -30.360
  962   HD11  ILE 127          HD11      ILE 127 -32.560 -35.720 -28.169
  963   HD12  ILE 127          HD12      ILE 127 -33.370 -34.825 -29.453
  964   HD13  ILE 127          HD13      ILE 127 -34.240 -35.228 -27.974
  965    H    HIS 128           HN       HIS 128 -29.594 -34.348 -31.117
  966    HA   HIS 128           HA       HIS 128 -27.077 -32.968 -30.425
  967    HB2  HIS 128           HB2      HIS 128 -27.758 -34.835 -32.681
  968    HB3  HIS 128           HB1      HIS 128 -26.173 -34.122 -32.405
  969    HD2  HIS 128           HD2      HIS 128 -24.706 -35.328 -30.302
  970    HE1  HIS 128           HE1      HIS 128 -27.631 -38.198 -29.290
  971    HE2  HIS 128           HE2      HIS 128 -25.227 -37.466 -28.894
  972    H    SER 129           HN       SER 129 -29.828 -32.937 -32.612
  973    HA   SER 129           HA       SER 129 -29.141 -30.212 -33.401
  974    HB2  SER 129           HB2      SER 129 -29.144 -32.534 -35.305
  975    HB3  SER 129           HB1      SER 129 -29.564 -30.915 -35.865
  976    HG   SER 129           HG       SER 129 -27.269 -31.554 -35.941
  977    H    CYS 130           HN       CYS 130 -30.876 -29.029 -34.119
  978    HA   CYS 130           HA       CYS 130 -33.486 -30.316 -34.450
  979    HB2  CYS 130           HB2      CYS 130 -33.686 -29.951 -32.143
  980    HB3  CYS 130           HB1      CYS 130 -32.752 -28.455 -32.199
  981    HG   CYS 130           HG       CYS 130 -35.758 -28.727 -32.942
  982    H    LYS 131           HN       LYS 131 -34.688 -29.314 -35.944
  983    HA   LYS 131           HA       LYS 131 -33.739 -26.696 -36.979
  984    HB2  LYS 131           HB2      LYS 131 -35.082 -29.018 -38.380
  985    HB3  LYS 131           HB1      LYS 131 -34.816 -27.435 -39.116
  986    HG2  LYS 131           HG2      LYS 131 -32.417 -27.645 -38.837
  987    HG3  LYS 131           HG1      LYS 131 -32.619 -29.139 -37.926
  988    HD2  LYS 131           HD2      LYS 131 -31.969 -29.600 -40.267
  989    HD3  LYS 131           HD1      LYS 131 -33.572 -30.238 -39.910
  990    HE2  LYS 131           HE2      LYS 131 -34.658 -28.563 -41.144
  991    HE3  LYS 131           HE1      LYS 131 -33.269 -27.474 -41.073
  992    HZ1  LYS 131           HZ1      LYS 131 -33.891 -29.121 -43.140
  993    HZ2  LYS 131           HZ2      LYS 131 -32.674 -29.985 -42.329
  994    HZ3  LYS 131           HZ3      LYS 131 -32.379 -28.402 -42.872
  995    H    VAL 132           HN       VAL 132 -35.678 -25.761 -38.398
  996    HA   VAL 132           HA       VAL 132 -37.653 -24.603 -38.311
  997    HB   VAL 132           HB       VAL 132 -38.665 -27.026 -36.812
  998   HG11  VAL 132          HG11      VAL 132 -40.334 -25.349 -36.753
  999   HG12  VAL 132          HG12      VAL 132 -40.772 -26.334 -38.148
 1000   HG13  VAL 132          HG13      VAL 132 -39.958 -24.790 -38.382
 1001   HG21  VAL 132          HG21      VAL 132 -37.582 -27.807 -38.823
 1002   HG22  VAL 132          HG22      VAL 132 -38.311 -26.516 -39.779
 1003   HG23  VAL 132          HG23      VAL 132 -39.320 -27.806 -39.124
 1004    H    LEU 133           HN       LEU 133 -37.373 -22.858 -37.049
 1005    HA   LEU 133           HA       LEU 133 -37.762 -23.147 -34.121
 1006    HB2  LEU 133           HB2      LEU 133 -35.955 -21.421 -35.771
 1007    HB3  LEU 133           HB1      LEU 133 -36.609 -20.719 -34.292
 1008    HG   LEU 133           HG       LEU 133 -34.402 -21.863 -33.959
 1009   HD11  LEU 133          HD11      LEU 133 -36.639 -21.906 -32.303
 1010   HD12  LEU 133          HD12      LEU 133 -35.020 -22.383 -31.828
 1011   HD13  LEU 133          HD13      LEU 133 -36.174 -23.606 -32.347
 1012   HD21  LEU 133          HD21      LEU 133 -35.846 -24.492 -34.293
 1013   HD22  LEU 133          HD22      LEU 133 -34.113 -24.169 -34.318
 1014   HD23  LEU 133          HD23      LEU 133 -35.114 -23.707 -35.693
 1015    H    GLU 134           HN       GLU 134 -38.774 -21.254 -33.079
 1016    HA   GLU 134           HA       GLU 134 -40.643 -19.770 -34.802
 1017    HB2  GLU 134           HB2      GLU 134 -41.340 -21.855 -32.791
 1018    HB3  GLU 134           HB1      GLU 134 -42.271 -20.365 -32.673
 1019    HG2  GLU 134           HG2      GLU 134 -43.383 -21.928 -34.152
 1020    HG3  GLU 134           HG1      GLU 134 -42.832 -20.541 -35.080
 1021    H    GLY 135           HN       GLY 135 -40.161 -17.726 -34.388
 1022    HA2  GLY 135           HA2      GLY 135 -39.374 -15.853 -33.262
 1023    HA3  GLY 135           HA1      GLY 135 -40.686 -16.286 -32.168
 1024    H    VAL 136           HN       VAL 136 -40.237 -17.455 -30.287
 1025    HA   VAL 136           HA       VAL 136 -37.379 -17.653 -29.515
 1026    HB   VAL 136           HB       VAL 136 -39.677 -16.781 -27.767
 1027   HG11  VAL 136          HG11      VAL 136 -38.222 -16.801 -25.985
 1028   HG12  VAL 136          HG12      VAL 136 -36.861 -16.258 -26.962
 1029   HG13  VAL 136          HG13      VAL 136 -37.313 -17.958 -26.953
 1030   HG21  VAL 136          HG21      VAL 136 -38.720 -14.544 -27.896
 1031   HG22  VAL 136          HG22      VAL 136 -39.081 -15.123 -29.519
 1032   HG23  VAL 136          HG23      VAL 136 -37.419 -15.131 -28.931
 1033    H    TRP 137           HN       TRP 137 -36.793 -19.522 -28.564
 1034    HA   TRP 137           HA       TRP 137 -38.939 -21.477 -27.911
 1035    HB2  TRP 137           HB2      TRP 137 -37.503 -21.879 -30.015
 1036    HB3  TRP 137           HB1      TRP 137 -36.177 -22.206 -28.896
 1037    HD1  TRP 137           HD1      TRP 137 -36.258 -24.381 -27.497
 1038    HE1  TRP 137           HE1      TRP 137 -37.741 -26.497 -27.594
 1039    HE3  TRP 137           HE3      TRP 137 -39.956 -22.688 -30.548
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.200 -27.329 -28.802
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.857 -24.151 -31.161
 1042    HH2  TRP 137           HH2      TRP 137 -41.981 -26.465 -30.290
 1043    H    ILE 138           HN       ILE 138 -38.089 -23.268 -26.459
 1044    HA   ILE 138           HA       ILE 138 -35.990 -22.444 -24.592
 1045    HB   ILE 138           HB       ILE 138 -38.871 -22.846 -23.757
 1046   HG12  ILE 138          HG12      ILE 138 -36.835 -20.649 -23.237
 1047   HG13  ILE 138          HG11      ILE 138 -38.167 -20.557 -24.387
 1048   HG21  ILE 138          HG21      ILE 138 -36.326 -22.983 -22.115
 1049   HG22  ILE 138          HG22      ILE 138 -37.610 -24.186 -22.206
 1050   HG23  ILE 138          HG23      ILE 138 -37.896 -22.659 -21.387
 1051   HD11  ILE 138          HD11      ILE 138 -38.989 -19.459 -22.454
 1052   HD12  ILE 138          HD12      ILE 138 -38.305 -20.673 -21.377
 1053   HD13  ILE 138          HD13      ILE 138 -39.702 -21.071 -22.374
 1054    H    PHE 139           HN       PHE 139 -34.742 -24.112 -24.165
 1055    HA   PHE 139           HA       PHE 139 -35.858 -26.862 -24.314
 1056    HB2  PHE 139           HB2      PHE 139 -33.370 -25.632 -25.325
 1057    HB3  PHE 139           HB1      PHE 139 -33.056 -27.076 -24.366
 1058    HD1  PHE 139           HD1      PHE 139 -36.049 -26.384 -26.491
 1059    HD2  PHE 139           HD2      PHE 139 -32.432 -28.642 -26.030
 1060    HE1  PHE 139           HE1      PHE 139 -36.719 -27.817 -28.369
 1061    HE2  PHE 139           HE2      PHE 139 -33.101 -30.093 -27.927
 1062    HZ   PHE 139           HZ       PHE 139 -35.246 -29.682 -29.099
 1063    H    TYR 140           HN       TYR 140 -35.800 -28.086 -22.559
 1064    HA   TYR 140           HA       TYR 140 -34.584 -26.925 -20.113
 1065    HB2  TYR 140           HB2      TYR 140 -37.034 -28.568 -20.692
 1066    HB3  TYR 140           HB1      TYR 140 -36.278 -28.730 -19.115
 1067    HD1  TYR 140           HD2      TYR 140 -35.661 -26.459 -17.920
 1068    HD2  TYR 140           HD1      TYR 140 -38.595 -26.847 -21.018
 1069    HE1  TYR 140           HE2      TYR 140 -36.720 -24.347 -17.182
 1070    HE2  TYR 140           HE1      TYR 140 -39.654 -24.738 -20.292
 1071    HH   TYR 140           HH       TYR 140 -39.434 -23.418 -17.555
 1072    H    GLU 141           HN       GLU 141 -32.629 -27.841 -19.732
 1073    HA   GLU 141           HA       GLU 141 -31.628 -30.185 -20.732
 1074    HB2  GLU 141           HB2      GLU 141 -30.343 -28.495 -19.435
 1075    HB3  GLU 141           HB1      GLU 141 -31.077 -29.117 -17.957
 1076    HG2  GLU 141           HG2      GLU 141 -30.126 -31.356 -18.437
 1077    HG3  GLU 141           HG1      GLU 141 -29.371 -30.710 -19.895
 1078    H    LEU 142           HN       LEU 142 -34.000 -29.824 -18.218
 1079    HA   LEU 142           HA       LEU 142 -33.844 -32.721 -17.650
 1080    HB2  LEU 142           HB2      LEU 142 -34.170 -30.394 -15.915
 1081    HB3  LEU 142           HB1      LEU 142 -35.408 -31.590 -15.625
 1082    HG   LEU 142           HG       LEU 142 -33.567 -33.311 -15.423
 1083   HD11  LEU 142          HD11      LEU 142 -31.876 -30.794 -15.544
 1084   HD12  LEU 142          HD12      LEU 142 -31.820 -32.155 -16.664
 1085   HD13  LEU 142          HD13      LEU 142 -31.280 -32.363 -15.001
 1086   HD21  LEU 142          HD21      LEU 142 -34.625 -32.201 -13.459
 1087   HD22  LEU 142          HD22      LEU 142 -33.394 -30.941 -13.536
 1088   HD23  LEU 142          HD23      LEU 142 -32.932 -32.601 -13.163
 1089    HA   PRO 143           HA       PRO 143 -37.954 -33.021 -19.210
 1090    HB2  PRO 143           HB2      PRO 143 -38.949 -35.179 -17.927
 1091    HB3  PRO 143           HB1      PRO 143 -37.564 -35.305 -19.035
 1092    HG2  PRO 143           HG2      PRO 143 -37.610 -35.369 -16.066
 1093    HG3  PRO 143           HG1      PRO 143 -36.525 -36.185 -17.197
 1094    HD2  PRO 143           HD2      PRO 143 -35.978 -33.785 -15.776
 1095    HD3  PRO 143           HD1      PRO 143 -35.017 -34.481 -17.086
 1096    H    ASN 144           HN       ASN 144 -40.262 -33.015 -18.705
 1097    HA   ASN 144           HA       ASN 144 -42.137 -32.251 -17.634
 1098    HB2  ASN 144           HB2      ASN 144 -40.636 -32.099 -15.031
 1099    HB3  ASN 144           HB1      ASN 144 -42.324 -32.531 -15.328
 1100   HD21  ASN 144          HD21      ASN 144 -39.037 -33.735 -15.258
 1101   HD22  ASN 144          HD22      ASN 144 -39.422 -35.366 -15.515
 1102    H    TYR 145           HN       TYR 145 -39.776 -30.513 -18.579
 1103    HA   TYR 145           HA       TYR 145 -39.509 -28.260 -18.808
 1104    HB2  TYR 145           HB2      TYR 145 -41.666 -27.626 -16.810
 1105    HB3  TYR 145           HB1      TYR 145 -41.274 -26.839 -18.332
 1106    HD1  TYR 145           HD2      TYR 145 -41.457 -28.592 -20.448
 1107    HD2  TYR 145           HD1      TYR 145 -43.674 -28.802 -16.773
 1108    HE1  TYR 145           HE2      TYR 145 -43.229 -29.895 -21.590
 1109    HE2  TYR 145           HE1      TYR 145 -45.432 -30.118 -17.916
 1110    HH   TYR 145           HH       TYR 145 -45.791 -31.437 -19.815
 1111    H    ARG 146           HN       ARG 146 -37.540 -29.056 -17.455
 1112    HA   ARG 146           HA       ARG 146 -37.222 -27.219 -15.248
 1113    HB2  ARG 146           HB2      ARG 146 -37.063 -30.203 -14.770
 1114    HB3  ARG 146           HB1      ARG 146 -36.415 -28.990 -13.666
 1115    HG2  ARG 146           HG2      ARG 146 -38.732 -27.975 -13.571
 1116    HG3  ARG 146           HG1      ARG 146 -39.308 -29.375 -14.473
 1117    HD2  ARG 146           HD2      ARG 146 -39.640 -29.800 -12.127
 1118    HD3  ARG 146           HD1      ARG 146 -38.364 -30.860 -12.718
 1119    HE   ARG 146           HE       ARG 146 -37.192 -28.491 -11.743
 1120   HH11  ARG 146          HH21      ARG 146 -38.938 -31.275 -10.672
 1121   HH12  ARG 146          HH22      ARG 146 -38.194 -31.312  -9.107
 1122   HH21  ARG 146          HH11      ARG 146 -36.208 -28.530  -9.699
 1123   HH22  ARG 146          HH12      ARG 146 -36.647 -29.754  -8.557
 1124    H    GLY 147           HN       GLY 147 -34.916 -27.432 -14.334
 1125    HA2  GLY 147           HA2      GLY 147 -32.634 -28.039 -14.709
 1126    HA3  GLY 147           HA1      GLY 147 -33.040 -28.492 -16.353
 1127    H    ARG 148           HN       ARG 148 -30.847 -26.978 -15.908
 1128    HA   ARG 148           HA       ARG 148 -31.309 -24.172 -16.113
 1129    HB2  ARG 148           HB2      ARG 148 -28.923 -24.231 -17.106
 1130    HB3  ARG 148           HB1      ARG 148 -29.135 -24.745 -15.433
 1131    HG2  ARG 148           HG2      ARG 148 -29.095 -27.078 -16.083
 1132    HG3  ARG 148           HG1      ARG 148 -29.092 -26.646 -17.792
 1133    HD2  ARG 148           HD2      ARG 148 -26.915 -25.538 -17.517
 1134    HD3  ARG 148           HD1      ARG 148 -26.921 -25.938 -15.803
 1135    HE   ARG 148           HE       ARG 148 -27.220 -28.356 -17.052
 1136   HH11  ARG 148          HH21      ARG 148 -25.001 -25.713 -17.264
 1137   HH12  ARG 148          HH22      ARG 148 -23.653 -26.704 -17.708
 1138   HH21  ARG 148          HH11      ARG 148 -25.466 -29.660 -17.635
 1139   HH22  ARG 148          HH12      ARG 148 -23.916 -28.942 -17.919
 1140    H    GLN 149           HN       GLN 149 -33.049 -24.299 -17.670
 1141    HA   GLN 149           HA       GLN 149 -32.919 -25.291 -20.185
 1142    HB2  GLN 149           HB2      GLN 149 -34.423 -23.298 -20.827
 1143    HB3  GLN 149           HB1      GLN 149 -34.985 -24.380 -19.558
 1144    HG2  GLN 149           HG2      GLN 149 -33.697 -22.641 -17.979
 1145    HG3  GLN 149           HG1      GLN 149 -33.973 -21.567 -19.341
 1146   HE21  GLN 149          HE21      GLN 149 -35.213 -22.085 -16.456
 1147   HE22  GLN 149          HE22      GLN 149 -36.881 -21.925 -16.755
 1148    H    TYR 150           HN       TYR 150 -32.925 -23.797 -22.245
 1149    HA   TYR 150           HA       TYR 150 -30.603 -21.977 -22.204
 1150    HB2  TYR 150           HB2      TYR 150 -30.939 -24.323 -24.079
 1151    HB3  TYR 150           HB1      TYR 150 -29.750 -23.037 -24.279
 1152    HD1  TYR 150           HD2      TYR 150 -28.350 -22.508 -22.041
 1153    HD2  TYR 150           HD1      TYR 150 -30.224 -26.263 -22.974
 1154    HE1  TYR 150           HE2      TYR 150 -26.807 -23.666 -20.486
 1155    HE2  TYR 150           HE1      TYR 150 -28.674 -27.418 -21.419
 1156    HH   TYR 150           HH       TYR 150 -26.014 -25.696 -19.859
 1157    H    LEU 151           HN       LEU 151 -30.613 -20.382 -23.748
 1158    HA   LEU 151           HA       LEU 151 -32.750 -20.319 -25.749
 1159    HB2  LEU 151           HB2      LEU 151 -33.465 -19.252 -23.461
 1160    HB3  LEU 151           HB1      LEU 151 -32.423 -17.917 -23.958
 1161    HG   LEU 151           HG       LEU 151 -34.750 -19.043 -25.549
 1162   HD11  LEU 151          HD11      LEU 151 -34.433 -16.348 -24.200
 1163   HD12  LEU 151          HD12      LEU 151 -35.314 -17.703 -23.494
 1164   HD13  LEU 151          HD13      LEU 151 -35.874 -16.975 -24.996
 1165   HD21  LEU 151          HD21      LEU 151 -33.226 -18.235 -27.165
 1166   HD22  LEU 151          HD22      LEU 151 -32.679 -16.918 -26.126
 1167   HD23  LEU 151          HD23      LEU 151 -34.275 -16.848 -26.872
 1168    H    LEU 152           HN       LEU 152 -31.172 -20.358 -27.339
 1169    HA   LEU 152           HA       LEU 152 -29.308 -18.049 -27.447
 1170    HB2  LEU 152           HB2      LEU 152 -29.118 -20.886 -28.392
 1171    HB3  LEU 152           HB1      LEU 152 -28.232 -19.646 -29.270
 1172    HG   LEU 152           HG       LEU 152 -26.886 -20.749 -27.458
 1173   HD11  LEU 152          HD11      LEU 152 -26.832 -18.140 -28.217
 1174   HD12  LEU 152          HD12      LEU 152 -25.733 -18.816 -27.021
 1175   HD13  LEU 152          HD13      LEU 152 -27.165 -17.935 -26.496
 1176   HD21  LEU 152          HD21      LEU 152 -28.539 -19.229 -25.448
 1177   HD22  LEU 152          HD22      LEU 152 -27.456 -20.596 -25.191
 1178   HD23  LEU 152          HD23      LEU 152 -29.030 -20.850 -25.941
 1179    H    ASP 153           HN       ASP 153 -29.093 -16.939 -29.405
 1180    HA   ASP 153           HA       ASP 153 -31.241 -17.389 -31.405
 1181    HB2  ASP 153           HB2      ASP 153 -31.508 -14.968 -31.588
 1182    HB3  ASP 153           HB1      ASP 153 -31.811 -15.489 -29.931
 1183    H    LYS 154           HN       LYS 154 -28.955 -18.550 -32.005
 1184    HA   LYS 154           HA       LYS 154 -27.224 -16.686 -33.469
 1185    HB2  LYS 154           HB2      LYS 154 -26.184 -18.477 -32.132
 1186    HB3  LYS 154           HB1      LYS 154 -27.009 -19.684 -33.116
 1187    HG2  LYS 154           HG2      LYS 154 -25.825 -18.998 -35.095
 1188    HG3  LYS 154           HG1      LYS 154 -25.177 -17.575 -34.282
 1189    HD2  LYS 154           HD2      LYS 154 -23.439 -19.269 -34.376
 1190    HD3  LYS 154           HD1      LYS 154 -23.964 -19.093 -32.701
 1191    HE2  LYS 154           HE2      LYS 154 -25.204 -21.107 -32.760
 1192    HE3  LYS 154           HE1      LYS 154 -25.178 -21.173 -34.524
 1193    HZ1  LYS 154           HZ1      LYS 154 -23.316 -22.337 -34.424
 1194    HZ2  LYS 154           HZ2      LYS 154 -23.360 -22.296 -32.726
 1195    HZ3  LYS 154           HZ3      LYS 154 -22.538 -21.083 -33.587
 1196    H    LYS 155           HN       LYS 155 -27.893 -19.929 -34.633
 1197    HA   LYS 155           HA       LYS 155 -29.795 -19.214 -36.615
 1198    HB2  LYS 155           HB2      LYS 155 -27.685 -18.012 -37.423
 1199    HB3  LYS 155           HB1      LYS 155 -27.017 -19.615 -37.721
 1200    HG2  LYS 155           HG2      LYS 155 -27.964 -19.159 -39.799
 1201    HG3  LYS 155           HG1      LYS 155 -29.300 -20.000 -39.019
 1202    HD2  LYS 155           HD2      LYS 155 -30.335 -17.859 -38.419
 1203    HD3  LYS 155           HD1      LYS 155 -28.962 -16.982 -39.096
 1204    HE2  LYS 155           HE2      LYS 155 -29.457 -18.015 -41.319
 1205    HE3  LYS 155           HE1      LYS 155 -30.894 -18.755 -40.616
 1206    HZ1  LYS 155           HZ1      LYS 155 -32.000 -16.841 -40.698
 1207    HZ2  LYS 155           HZ2      LYS 155 -30.776 -16.290 -41.739
 1208    HZ3  LYS 155           HZ3      LYS 155 -30.700 -15.947 -40.078
 1209    H    GLU 156           HN       GLU 156 -30.771 -21.130 -36.052
 1210    HA   GLU 156           HA       GLU 156 -31.254 -23.371 -36.212
 1211    HB2  GLU 156           HB2      GLU 156 -30.339 -22.882 -38.589
 1212    HB3  GLU 156           HB1      GLU 156 -28.870 -23.680 -38.035
 1213    HG2  GLU 156           HG2      GLU 156 -30.156 -25.695 -37.462
 1214    HG3  GLU 156           HG1      GLU 156 -31.645 -24.898 -37.966
 1215    H    TYR 157           HN       TYR 157 -30.383 -25.554 -35.634
 1216    HA   TYR 157           HA       TYR 157 -27.906 -25.369 -34.021
 1217    HB2  TYR 157           HB2      TYR 157 -30.219 -27.103 -33.207
 1218    HB3  TYR 157           HB1      TYR 157 -28.904 -26.475 -32.215
 1219    HD1  TYR 157           HD2      TYR 157 -28.795 -23.647 -32.714
 1220    HD2  TYR 157           HD1      TYR 157 -32.255 -26.187 -32.522
 1221    HE1  TYR 157           HE2      TYR 157 -30.192 -21.694 -32.123
 1222    HE2  TYR 157           HE1      TYR 157 -33.650 -24.234 -31.936
 1223    HH   TYR 157           HH       TYR 157 -33.448 -21.632 -32.351
 1224    H    ARG 158           HN       ARG 158 -26.445 -26.543 -35.105
 1225    HA   ARG 158           HA       ARG 158 -27.277 -29.152 -36.224
 1226    HB2  ARG 158           HB2      ARG 158 -25.411 -29.006 -37.703
 1227    HB3  ARG 158           HB1      ARG 158 -26.226 -27.445 -37.756
 1228    HG2  ARG 158           HG2      ARG 158 -24.574 -26.617 -36.035
 1229    HG3  ARG 158           HG1      ARG 158 -23.704 -28.139 -36.231
 1230    HD2  ARG 158           HD2      ARG 158 -23.431 -27.681 -38.633
 1231    HD3  ARG 158           HD1      ARG 158 -24.278 -26.148 -38.435
 1232    HE   ARG 158           HE       ARG 158 -22.004 -26.434 -36.680
 1233   HH11  ARG 158          HH21      ARG 158 -23.135 -25.552 -39.822
 1234   HH12  ARG 158          HH22      ARG 158 -21.808 -24.489 -40.156
 1235   HH21  ARG 158          HH11      ARG 158 -20.258 -25.042 -37.104
 1236   HH22  ARG 158          HH12      ARG 158 -20.178 -24.200 -38.615
 1237    H    LYS 159           HN       LYS 159 -25.285 -27.599 -33.824
 1238    HA   LYS 159           HA       LYS 159 -24.059 -30.209 -33.127
 1239    HB2  LYS 159           HB2      LYS 159 -22.399 -28.474 -31.887
 1240    HB3  LYS 159           HB1      LYS 159 -22.153 -28.976 -33.559
 1241    HG2  LYS 159           HG2      LYS 159 -22.883 -26.946 -34.425
 1242    HG3  LYS 159           HG1      LYS 159 -23.931 -26.613 -33.059
 1243    HD2  LYS 159           HD2      LYS 159 -21.936 -25.118 -33.135
 1244    HD3  LYS 159           HD1      LYS 159 -22.021 -26.070 -31.655
 1245    HE2  LYS 159           HE2      LYS 159 -20.279 -27.491 -32.312
 1246    HE3  LYS 159           HE1      LYS 159 -20.480 -27.111 -34.023
 1247    HZ1  LYS 159           HZ1      LYS 159 -19.674 -25.039 -32.083
 1248    HZ2  LYS 159           HZ2      LYS 159 -19.466 -25.056 -33.769
 1249    HZ3  LYS 159           HZ3      LYS 159 -18.525 -26.071 -32.784
 1250    HA   PRO 160           HA       PRO 160 -26.006 -30.084 -29.205
 1251    HB2  PRO 160           HB2      PRO 160 -23.919 -30.816 -27.498
 1252    HB3  PRO 160           HB1      PRO 160 -24.914 -31.916 -28.439
 1253    HG2  PRO 160           HG2      PRO 160 -22.217 -30.883 -29.045
 1254    HG3  PRO 160           HG1      PRO 160 -22.893 -32.493 -29.337
 1255    HD2  PRO 160           HD2      PRO 160 -22.618 -30.693 -31.333
 1256    HD3  PRO 160           HD1      PRO 160 -23.966 -31.835 -31.281
 1257    H    ILE 161           HN       ILE 161 -23.205 -28.127 -29.722
 1258    HA   ILE 161           HA       ILE 161 -23.678 -26.617 -27.241
 1259    HB   ILE 161           HB       ILE 161 -21.493 -26.246 -29.292
 1260   HG12  ILE 161          HG12      ILE 161 -20.315 -27.538 -27.154
 1261   HG13  ILE 161          HG11      ILE 161 -21.881 -28.341 -27.202
 1262   HG21  ILE 161          HG21      ILE 161 -21.570 -24.355 -27.899
 1263   HG22  ILE 161          HG22      ILE 161 -20.345 -25.370 -27.150
 1264   HG23  ILE 161          HG23      ILE 161 -21.968 -25.300 -26.463
 1265   HD11  ILE 161          HD11      ILE 161 -21.497 -28.755 -29.665
 1266   HD12  ILE 161          HD12      ILE 161 -20.346 -29.578 -28.612
 1267   HD13  ILE 161          HD13      ILE 161 -19.869 -28.111 -29.464
 1268    H    ASP 162           HN       ASP 162 -24.801 -26.628 -30.307
 1269    HA   ASP 162           HA       ASP 162 -24.569 -23.950 -31.121
 1270    HB2  ASP 162           HB2      ASP 162 -25.912 -26.261 -32.089
 1271    HB3  ASP 162           HB1      ASP 162 -27.117 -25.020 -31.956
 1272    H    TRP 163           HN       TRP 163 -26.610 -25.478 -28.733
 1273    HA   TRP 163           HA       TRP 163 -28.182 -22.991 -28.462
 1274    HB2  TRP 163           HB2      TRP 163 -29.650 -24.582 -27.020
 1275    HB3  TRP 163           HB1      TRP 163 -29.736 -24.709 -28.779
 1276    HD1  TRP 163           HD1      TRP 163 -27.375 -26.197 -26.098
 1277    HE1  TRP 163           HE1      TRP 163 -27.112 -28.715 -26.589
 1278    HE3  TRP 163           HE3      TRP 163 -30.352 -26.661 -30.232
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.016 -30.641 -28.408
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.595 -28.873 -31.335
 1281    HH2  TRP 163           HH2      TRP 163 -29.397 -30.851 -30.421
 1282    H    GLY 164           HN       GLY 164 -25.408 -23.715 -27.452
 1283    HA2  GLY 164           HA2      GLY 164 -24.193 -23.086 -25.606
 1284    HA3  GLY 164           HA1      GLY 164 -25.679 -22.418 -24.948
 1285    H    ALA 165           HN       ALA 165 -25.427 -25.879 -25.761
 1286    HA   ALA 165           HA       ALA 165 -25.585 -26.444 -22.836
 1287    HB1  ALA 165           HB1      ALA 165 -27.470 -27.336 -24.119
 1288    HB2  ALA 165           HB2      ALA 165 -26.470 -28.634 -23.469
 1289    HB3  ALA 165           HB3      ALA 165 -26.341 -28.191 -25.165
 1290    H    ALA 166           HN       ALA 166 -24.100 -27.649 -21.868
 1291    HA   ALA 166           HA       ALA 166 -21.587 -28.038 -23.169
 1292    HB1  ALA 166           HB1      ALA 166 -21.555 -27.505 -20.830
 1293    HB2  ALA 166           HB2      ALA 166 -21.003 -29.175 -20.975
 1294    HB3  ALA 166           HB3      ALA 166 -22.653 -28.832 -20.452
 1295    H    SER 167           HN       SER 167 -24.150 -29.563 -24.021
 1296    HA   SER 167           HA       SER 167 -22.984 -31.811 -25.054
 1297    HB2  SER 167           HB2      SER 167 -23.647 -32.122 -22.197
 1298    HB3  SER 167           HB1      SER 167 -24.241 -33.423 -23.220
 1299    HG   SER 167           HG       SER 167 -22.078 -33.535 -24.083
 1300    HA   PRO 168           HA       PRO 168 -27.081 -32.159 -26.768
 1301    HB2  PRO 168           HB2      PRO 168 -27.097 -34.747 -27.660
 1302    HB3  PRO 168           HB1      PRO 168 -26.169 -33.486 -28.449
 1303    HG2  PRO 168           HG2      PRO 168 -25.254 -35.568 -26.548
 1304    HG3  PRO 168           HG1      PRO 168 -24.445 -34.939 -27.990
 1305    HD2  PRO 168           HD2      PRO 168 -23.769 -34.164 -25.439
 1306    HD3  PRO 168           HD1      PRO 168 -23.556 -33.115 -26.856
 1307    H    ALA 169           HN       ALA 169 -26.286 -33.504 -23.879
 1308    HA   ALA 169           HA       ALA 169 -28.433 -35.395 -23.562
 1309    HB1  ALA 169           HB1      ALA 169 -26.428 -35.731 -22.266
 1310    HB2  ALA 169           HB2      ALA 169 -27.717 -35.286 -21.145
 1311    HB3  ALA 169           HB3      ALA 169 -26.511 -34.091 -21.623
 1312    H    VAL 170           HN       VAL 170 -30.002 -33.662 -24.407
 1313    HA   VAL 170           HA       VAL 170 -30.814 -31.778 -22.299
 1314    HB   VAL 170           HB       VAL 170 -32.084 -32.066 -25.020
 1315   HG11  VAL 170          HG11      VAL 170 -31.720 -29.365 -23.902
 1316   HG12  VAL 170          HG12      VAL 170 -32.624 -30.399 -22.806
 1317   HG13  VAL 170          HG13      VAL 170 -33.197 -30.153 -24.449
 1318   HG21  VAL 170          HG21      VAL 170 -29.534 -30.611 -24.268
 1319   HG22  VAL 170          HG22      VAL 170 -30.436 -30.285 -25.748
 1320   HG23  VAL 170          HG23      VAL 170 -29.727 -31.876 -25.479
 1321    H    GLN 171           HN       GLN 171 -33.555 -31.793 -23.259
 1322    HA   GLN 171           HA       GLN 171 -34.610 -34.410 -22.833
 1323    HB2  GLN 171           HB2      GLN 171 -34.898 -32.366 -20.632
 1324    HB3  GLN 171           HB1      GLN 171 -36.058 -33.665 -20.845
 1325    HG2  GLN 171           HG2      GLN 171 -33.097 -34.033 -20.362
 1326    HG3  GLN 171           HG1      GLN 171 -34.378 -34.282 -19.212
 1327   HE21  GLN 171          HE21      GLN 171 -32.528 -35.909 -21.556
 1328   HE22  GLN 171          HE22      GLN 171 -33.517 -37.283 -21.704
 1329    H    SER 172           HN       SER 172 -37.013 -32.640 -21.683
 1330    HA   SER 172           HA       SER 172 -38.212 -32.425 -24.328
 1331    HB2  SER 172           HB2      SER 172 -40.194 -32.757 -23.250
 1332    HB3  SER 172           HB1      SER 172 -39.100 -33.512 -22.110
 1333    HG   SER 172           HG       SER 172 -40.701 -31.814 -21.363
 1334    H    PHE 173           HN       PHE 173 -40.254 -30.602 -23.534
 1335    HA   PHE 173           HA       PHE 173 -39.089 -28.103 -22.872
 1336    HB2  PHE 173           HB2      PHE 173 -39.261 -27.058 -25.120
 1337    HB3  PHE 173           HB1      PHE 173 -38.012 -28.307 -25.021
 1338    HD1  PHE 173           HD1      PHE 173 -41.472 -27.601 -26.175
 1339    HD2  PHE 173           HD2      PHE 173 -38.157 -30.328 -26.275
 1340    HE1  PHE 173           HE1      PHE 173 -42.568 -28.866 -28.002
 1341    HE2  PHE 173           HE2      PHE 173 -39.253 -31.593 -28.100
 1342    HZ   PHE 173           HZ       PHE 173 -41.461 -30.864 -28.966
 1343    H    ARG 174           HN       ARG 174 -40.621 -26.280 -23.885
 1344    HA   ARG 174           HA       ARG 174 -43.366 -27.073 -24.149
 1345    HB2  ARG 174           HB2      ARG 174 -44.064 -25.746 -22.084
 1346    HB3  ARG 174           HB1      ARG 174 -43.354 -27.335 -21.798
 1347    HG2  ARG 174           HG2      ARG 174 -41.277 -26.425 -21.127
 1348    HG3  ARG 174           HG1      ARG 174 -41.629 -24.854 -21.837
 1349    HD2  ARG 174           HD2      ARG 174 -43.141 -26.029 -19.493
 1350    HD3  ARG 174           HD1      ARG 174 -41.817 -24.871 -19.350
 1351    HE   ARG 174           HE       ARG 174 -43.585 -23.693 -21.094
 1352   HH11  ARG 174          HH21      ARG 174 -43.677 -24.990 -17.884
 1353   HH12  ARG 174          HH22      ARG 174 -44.910 -23.906 -17.330
 1354   HH21  ARG 174          HH11      ARG 174 -45.205 -22.265 -20.371
 1355   HH22  ARG 174          HH12      ARG 174 -45.774 -22.364 -18.738
 1356    H    ARG 175           HN       ARG 175 -44.459 -25.560 -25.241
 1357    HA   ARG 175           HA       ARG 175 -43.276 -23.375 -26.449
 1358    HB2  ARG 175           HB2      ARG 175 -45.792 -22.514 -26.509
 1359    HB3  ARG 175           HB1      ARG 175 -45.336 -23.945 -27.411
 1360    HG2  ARG 175           HG2      ARG 175 -46.126 -25.397 -25.634
 1361    HG3  ARG 175           HG1      ARG 175 -46.472 -24.008 -24.614
 1362    HD2  ARG 175           HD2      ARG 175 -48.100 -23.218 -26.328
 1363    HD3  ARG 175           HD1      ARG 175 -47.778 -24.678 -27.260
 1364    HE   ARG 175           HE       ARG 175 -48.498 -25.481 -24.680
 1365   HH11  ARG 175          HH21      ARG 175 -49.830 -23.809 -27.398
 1366   HH12  ARG 175          HH22      ARG 175 -51.457 -24.313 -27.087
 1367   HH21  ARG 175          HH11      ARG 175 -50.627 -26.146 -24.264
 1368   HH22  ARG 175          HH12      ARG 175 -51.910 -25.638 -25.311
 1369    H    ILE 176           HN       ILE 176 -42.788 -21.379 -25.871
 1370    HA   ILE 176           HA       ILE 176 -42.684 -20.586 -23.175
 1371    HB   ILE 176           HB       ILE 176 -42.660 -18.676 -25.520
 1372   HG12  ILE 176          HG12      ILE 176 -40.553 -20.567 -24.451
 1373   HG13  ILE 176          HG11      ILE 176 -41.125 -20.406 -26.110
 1374   HG21  ILE 176          HG21      ILE 176 -41.385 -17.274 -24.076
 1375   HG22  ILE 176          HG22      ILE 176 -41.088 -18.583 -22.934
 1376   HG23  ILE 176          HG23      ILE 176 -42.693 -17.872 -23.058
 1377   HD11  ILE 176          HD11      ILE 176 -40.261 -17.957 -25.922
 1378   HD12  ILE 176          HD12      ILE 176 -39.086 -19.245 -26.163
 1379   HD13  ILE 176          HD13      ILE 176 -39.326 -18.557 -24.560
 1380    H    VAL 177           HN       VAL 177 -44.983 -21.195 -22.733
 1381    HA   VAL 177           HA       VAL 177 -47.110 -19.523 -23.586
 1382    HB   VAL 177           HB       VAL 177 -47.023 -21.181 -21.061
 1383   HG11  VAL 177          HG11      VAL 177 -49.241 -20.096 -22.820
 1384   HG12  VAL 177          HG12      VAL 177 -48.905 -19.679 -21.139
 1385   HG13  VAL 177          HG13      VAL 177 -49.498 -21.289 -21.544
 1386   HG21  VAL 177          HG21      VAL 177 -48.340 -22.748 -22.852
 1387   HG22  VAL 177          HG22      VAL 177 -46.607 -22.873 -22.579
 1388   HG23  VAL 177          HG23      VAL 177 -47.215 -21.944 -23.951
 1389    H    GLU 178           HN       GLU 178 -48.035 -17.790 -22.706
 1390    HA   GLU 178           HA       GLU 178 -47.165 -16.755 -20.124
 1391    HB2  GLU 178           HB2      GLU 178 -45.614 -15.967 -22.115
 1392    HB3  GLU 178           HB1      GLU 178 -46.956 -14.875 -22.461
 1393    HG2  GLU 178           HG2      GLU 178 -45.558 -15.104 -19.781
 1394    HG3  GLU 178           HG1      GLU 178 -45.272 -13.832 -20.969
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1 -37.643  -2.171 -30.966
    2    H2   GLY   1           HT2      GLY   1 -39.038  -1.772 -31.849
    3    H3   GLY   1           HT3      GLY   1 -38.938  -3.262 -31.042
    4    HA2  GLY   1           HA2      GLY   1 -38.478  -1.301 -29.128
    5    HA3  GLY   1           HA1      GLY   1 -39.879  -0.790 -30.072
    6    H    SER   2           HN       SER   2 -41.600  -1.305 -28.844
    7    HA   SER   2           HA       SER   2 -42.287  -4.063 -28.481
    8    HB2  SER   2           HB2      SER   2 -42.172  -2.607 -25.866
    9    HB3  SER   2           HB1      SER   2 -42.112  -4.336 -26.188
   10    HG   SER   2           HG       SER   2 -40.078  -3.210 -25.578
   11    H    LYS   3           HN       LYS   3 -44.434  -4.283 -27.393
   12    HA   LYS   3           HA       LYS   3 -46.073  -1.827 -27.490
   13    HB2  LYS   3           HB2      LYS   3 -46.653  -4.436 -28.890
   14    HB3  LYS   3           HB1      LYS   3 -47.813  -3.114 -28.722
   15    HG2  LYS   3           HG2      LYS   3 -46.150  -1.603 -29.848
   16    HG3  LYS   3           HG1      LYS   3 -45.135  -3.015 -30.144
   17    HD2  LYS   3           HD2      LYS   3 -48.017  -2.893 -31.047
   18    HD3  LYS   3           HD1      LYS   3 -46.698  -2.306 -32.058
   19    HE2  LYS   3           HE2      LYS   3 -45.619  -4.588 -31.795
   20    HE3  LYS   3           HE1      LYS   3 -47.116  -5.127 -31.033
   21    HZ1  LYS   3           HZ1      LYS   3 -47.418  -3.721 -33.546
   22    HZ2  LYS   3           HZ2      LYS   3 -48.221  -5.099 -32.964
   23    HZ3  LYS   3           HZ3      LYS   3 -46.673  -5.240 -33.649
   24    H    THR   4           HN       THR   4 -45.428  -4.995 -26.240
   25    HA   THR   4           HA       THR   4 -47.855  -5.071 -24.612
   26    HB   THR   4           HB       THR   4 -46.892  -7.136 -25.646
   27    HG1  THR   4           HG1      THR   4 -48.166  -7.091 -23.672
   28   HG21  THR   4          HG21      THR   4 -44.850  -8.061 -24.868
   29   HG22  THR   4          HG22      THR   4 -44.760  -6.925 -23.521
   30   HG23  THR   4          HG23      THR   4 -44.490  -6.360 -25.170
   31    H    GLY   5           HN       GLY   5 -44.392  -4.530 -24.255
   32    HA2  GLY   5           HA2      GLY   5 -43.480  -3.081 -22.590
   33    HA3  GLY   5           HA1      GLY   5 -44.868  -3.422 -21.560
   34    H    THR   6           HN       THR   6 -41.814  -3.723 -21.343
   35    HA   THR   6           HA       THR   6 -41.886  -6.341 -20.001
   36    HB   THR   6           HB       THR   6 -39.692  -6.943 -20.964
   37    HG1  THR   6           HG1      THR   6 -39.518  -5.426 -23.046
   38   HG21  THR   6          HG21      THR   6 -41.589  -6.274 -23.219
   39   HG22  THR   6          HG22      THR   6 -41.923  -7.561 -22.060
   40   HG23  THR   6          HG23      THR   6 -40.495  -7.651 -23.090
   41    H    LYS   7           HN       LYS   7 -40.931  -6.297 -18.080
   42    HA   LYS   7           HA       LYS   7 -38.735  -4.547 -17.460
   43    HB2  LYS   7           HB2      LYS   7 -40.257  -2.814 -17.107
   44    HB3  LYS   7           HB1      LYS   7 -41.508  -3.907 -16.517
   45    HG2  LYS   7           HG2      LYS   7 -40.446  -4.179 -14.416
   46    HG3  LYS   7           HG1      LYS   7 -38.924  -3.499 -15.015
   47    HD2  LYS   7           HD2      LYS   7 -39.792  -1.302 -15.046
   48    HD3  LYS   7           HD1      LYS   7 -41.456  -1.866 -14.944
   49    HE2  LYS   7           HE2      LYS   7 -41.234  -2.479 -12.666
   50    HE3  LYS   7           HE1      LYS   7 -39.476  -2.435 -12.730
   51    HZ1  LYS   7           HZ1      LYS   7 -41.386  -0.253 -12.461
   52    HZ2  LYS   7           HZ2      LYS   7 -40.009   0.056 -13.406
   53    HZ3  LYS   7           HZ3      LYS   7 -39.839  -0.432 -11.788
   54    H    ILE   8           HN       ILE   8 -37.711  -5.057 -15.493
   55    HA   ILE   8           HA       ILE   8 -38.895  -7.190 -13.867
   56    HB   ILE   8           HB       ILE   8 -37.576  -8.323 -15.648
   57   HG12  ILE   8          HG12      ILE   8 -36.151  -8.627 -12.997
   58   HG13  ILE   8          HG11      ILE   8 -37.832  -9.123 -13.181
   59   HG21  ILE   8          HG21      ILE   8 -35.126  -8.137 -15.581
   60   HG22  ILE   8          HG22      ILE   8 -35.235  -6.890 -14.345
   61   HG23  ILE   8          HG23      ILE   8 -35.855  -6.578 -15.966
   62   HD11  ILE   8          HD11      ILE   8 -37.300 -10.764 -14.791
   63   HD12  ILE   8          HD12      ILE   8 -36.001 -10.903 -13.605
   64   HD13  ILE   8          HD13      ILE   8 -35.718 -10.053 -15.124
   65    H    THR   9           HN       THR   9 -38.307  -7.171 -11.742
   66    HA   THR   9           HA       THR   9 -36.310  -5.143 -10.969
   67    HB   THR   9           HB       THR   9 -38.780  -5.870  -9.401
   68    HG1  THR   9           HG1      THR   9 -39.740  -4.236 -10.365
   69   HG21  THR   9          HG21      THR   9 -36.812  -3.580  -9.145
   70   HG22  THR   9          HG22      THR   9 -36.831  -5.008  -8.110
   71   HG23  THR   9          HG23      THR   9 -38.195  -3.890  -8.095
   72    H    PHE  10           HN       PHE  10 -34.805  -5.683  -9.490
   73    HA   PHE  10           HA       PHE  10 -34.913  -8.427  -8.370
   74    HB2  PHE  10           HB2      PHE  10 -32.466  -6.805  -9.104
   75    HB3  PHE  10           HB1      PHE  10 -32.498  -8.476  -8.540
   76    HD1  PHE  10           HD2      PHE  10 -33.755 -10.199  -9.966
   77    HD2  PHE  10           HD1      PHE  10 -32.686  -6.305 -11.400
   78    HE1  PHE  10           HE2      PHE  10 -34.056 -10.982 -12.300
   79    HE2  PHE  10           HE1      PHE  10 -32.979  -7.085 -13.739
   80    HZ   PHE  10           HZ       PHE  10 -33.664  -9.425 -14.186
   81    H    TYR  11           HN       TYR  11 -35.319  -8.315  -6.243
   82    HA   TYR  11           HA       TYR  11 -34.547  -5.922  -4.743
   83    HB2  TYR  11           HB2      TYR  11 -36.320  -8.282  -4.134
   84    HB3  TYR  11           HB1      TYR  11 -35.928  -7.038  -2.956
   85    HD1  TYR  11           HD1      TYR  11 -37.619  -7.690  -6.199
   86    HD2  TYR  11           HD2      TYR  11 -36.836  -4.824  -3.093
   87    HE1  TYR  11           HE1      TYR  11 -39.411  -6.222  -7.096
   88    HE2  TYR  11           HE2      TYR  11 -38.619  -3.355  -3.999
   89    HH   TYR  11           HH       TYR  11 -40.559  -3.447  -5.368
   90    H    GLU  12           HN       GLU  12 -33.131  -5.889  -3.111
   91    HA   GLU  12           HA       GLU  12 -31.068  -7.787  -3.066
   92    HB2  GLU  12           HB2      GLU  12 -31.269  -5.255  -2.164
   93    HB3  GLU  12           HB1      GLU  12 -31.505  -6.102  -0.637
   94    HG2  GLU  12           HG2      GLU  12 -29.179  -6.717  -2.484
   95    HG3  GLU  12           HG1      GLU  12 -29.103  -5.492  -1.228
   96    H    ASP  13           HN       ASP  13 -33.687  -7.185  -0.714
   97    HA   ASP  13           HA       ASP  13 -33.129  -9.784   0.546
   98    HB2  ASP  13           HB2      ASP  13 -34.816  -7.412   1.352
   99    HB3  ASP  13           HB1      ASP  13 -34.839  -8.950   2.213
  100    H    LYS  14           HN       LYS  14 -35.393 -10.648   1.433
  101    HA   LYS  14           HA       LYS  14 -36.790 -11.537  -0.936
  102    HB2  LYS  14           HB2      LYS  14 -37.068 -12.220   1.986
  103    HB3  LYS  14           HB1      LYS  14 -38.053 -12.938   0.716
  104    HG2  LYS  14           HG2      LYS  14 -36.372 -14.518   0.796
  105    HG3  LYS  14           HG1      LYS  14 -35.660 -13.433  -0.387
  106    HD2  LYS  14           HD2      LYS  14 -33.883 -13.713   1.110
  107    HD3  LYS  14           HD1      LYS  14 -34.630 -12.244   1.731
  108    HE2  LYS  14           HE2      LYS  14 -35.807 -13.485   3.438
  109    HE3  LYS  14           HE1      LYS  14 -35.274 -15.020   2.757
  110    HZ1  LYS  14           HZ1      LYS  14 -33.141 -13.185   3.348
  111    HZ2  LYS  14           HZ2      LYS  14 -33.292 -14.838   3.717
  112    HZ3  LYS  14           HZ3      LYS  14 -34.019 -13.671   4.714
  113    H    ASN  15           HN       ASN  15 -39.301 -11.891  -0.372
  114    HA   ASN  15           HA       ASN  15 -41.300 -10.796  -0.584
  115    HB2  ASN  15           HB2      ASN  15 -40.323  -9.435   1.936
  116    HB3  ASN  15           HB1      ASN  15 -41.990  -9.626   1.415
  117   HD21  ASN  15          HD21      ASN  15 -39.402 -12.074   1.314
  118   HD22  ASN  15          HD22      ASN  15 -40.180 -13.168   2.351
  119    H    PHE  16           HN       PHE  16 -38.956  -9.490  -1.852
  120    HA   PHE  16           HA       PHE  16 -38.520  -7.616  -3.032
  121    HB2  PHE  16           HB2      PHE  16 -41.164  -6.365  -2.425
  122    HB3  PHE  16           HB1      PHE  16 -40.300  -6.479  -3.958
  123    HD1  PHE  16           HD2      PHE  16 -40.043  -8.837  -4.993
  124    HD2  PHE  16           HD1      PHE  16 -42.902  -7.868  -1.945
  125    HE1  PHE  16           HE2      PHE  16 -41.379 -10.834  -5.612
  126    HE2  PHE  16           HE1      PHE  16 -44.233  -9.866  -2.557
  127    HZ   PHE  16           HZ       PHE  16 -43.468 -11.349  -4.383
  128    H    GLN  17           HN       GLN  17 -37.667  -7.629  -0.367
  129    HA   GLN  17           HA       GLN  17 -38.120  -4.876   0.584
  130    HB2  GLN  17           HB2      GLN  17 -37.079  -7.364   1.951
  131    HB3  GLN  17           HB1      GLN  17 -37.076  -5.763   2.692
  132    HG2  GLN  17           HG2      GLN  17 -39.499  -5.614   2.491
  133    HG3  GLN  17           HG1      GLN  17 -39.550  -7.147   1.615
  134   HE21  GLN  17          HE21      GLN  17 -38.415  -9.036   2.945
  135   HE22  GLN  17          HE22      GLN  17 -38.804  -9.079   4.601
  136    H    GLY  18           HN       GLY  18 -36.144  -3.974   1.722
  137    HA2  GLY  18           HA2      GLY  18 -33.962  -3.250   1.684
  138    HA3  GLY  18           HA1      GLY  18 -33.544  -4.752   0.872
  139    H    ARG  19           HN       ARG  19 -32.108  -3.535  -0.381
  140    HA   ARG  19           HA       ARG  19 -32.745  -1.365  -2.036
  141    HB2  ARG  19           HB2      ARG  19 -30.502  -3.090  -1.702
  142    HB3  ARG  19           HB1      ARG  19 -30.870  -3.110  -3.422
  143    HG2  ARG  19           HG2      ARG  19 -30.580  -0.561  -1.806
  144    HG3  ARG  19           HG1      ARG  19 -29.258  -1.302  -2.704
  145    HD2  ARG  19           HD2      ARG  19 -30.686  -1.177  -4.777
  146    HD3  ARG  19           HD1      ARG  19 -31.864  -0.258  -3.847
  147    HE   ARG  19           HE       ARG  19 -30.460   1.584  -3.967
  148   HH11  ARG  19          HH21      ARG  19 -28.829  -1.326  -4.872
  149   HH12  ARG  19          HH22      ARG  19 -27.397  -0.517  -5.421
  150   HH21  ARG  19          HH11      ARG  19 -28.585   2.653  -4.686
  151   HH22  ARG  19          HH12      ARG  19 -27.260   1.732  -5.316
  152    H    ARG  20           HN       ARG  20 -32.653  -1.664  -4.636
  153    HA   ARG  20           HA       ARG  20 -33.900  -3.945  -5.695
  154    HB2  ARG  20           HB2      ARG  20 -36.092  -3.108  -6.187
  155    HB3  ARG  20           HB1      ARG  20 -35.834  -2.953  -4.449
  156    HG2  ARG  20           HG2      ARG  20 -36.474  -0.765  -4.740
  157    HG3  ARG  20           HG1      ARG  20 -34.845  -0.530  -5.371
  158    HD2  ARG  20           HD2      ARG  20 -35.813  -1.220  -7.654
  159    HD3  ARG  20           HD1      ARG  20 -37.395  -0.995  -6.916
  160    HE   ARG  20           HE       ARG  20 -35.813   1.301  -6.429
  161   HH11  ARG  20          HH21      ARG  20 -37.431  -0.421  -8.956
  162   HH12  ARG  20          HH22      ARG  20 -37.715   0.989  -9.921
  163   HH21  ARG  20          HH11      ARG  20 -36.182   3.152  -7.688
  164   HH22  ARG  20          HH12      ARG  20 -37.009   3.010  -9.203
  165    H    TYR  21           HN       TYR  21 -34.029  -3.818  -7.988
  166    HA   TYR  21           HA       TYR  21 -33.038  -1.307  -9.219
  167    HB2  TYR  21           HB2      TYR  21 -31.178  -2.996  -9.006
  168    HB3  TYR  21           HB1      TYR  21 -32.138  -4.082 -10.014
  169    HD1  TYR  21           HD1      TYR  21 -30.815  -0.581  -9.957
  170    HD2  TYR  21           HD2      TYR  21 -31.943  -3.958 -12.361
  171    HE1  TYR  21           HE1      TYR  21 -29.987   0.585 -11.981
  172    HE2  TYR  21           HE2      TYR  21 -31.113  -2.788 -14.387
  173    HH   TYR  21           HH       TYR  21 -29.718   0.490 -14.176
  174    H    ASP  22           HN       ASP  22 -34.171  -0.745 -11.015
  175    HA   ASP  22           HA       ASP  22 -36.058  -2.753 -12.136
  176    HB2  ASP  22           HB2      ASP  22 -37.555  -0.876 -12.647
  177    HB3  ASP  22           HB1      ASP  22 -37.246  -1.004 -10.915
  178    H    CYS  23           HN       CYS  23 -35.873  -3.175 -14.256
  179    HA   CYS  23           HA       CYS  23 -34.620  -1.188 -16.034
  180    HB2  CYS  23           HB2      CYS  23 -33.630  -3.640 -16.983
  181    HB3  CYS  23           HB1      CYS  23 -32.703  -2.425 -16.111
  182    HG   CYS  23           HG       CYS  23 -33.505  -3.751 -13.864
  183    H    ASP  24           HN       ASP  24 -35.448  -1.144 -18.054
  184    HA   ASP  24           HA       ASP  24 -37.502  -3.141 -18.741
  185    HB2  ASP  24           HB2      ASP  24 -38.925  -1.463 -19.587
  186    HB3  ASP  24           HB1      ASP  24 -38.389  -0.878 -18.018
  187    H    CYS  25           HN       CYS  25 -34.535  -2.565 -19.459
  188    HA   CYS  25           HA       CYS  25 -34.876  -3.118 -22.322
  189    HB2  CYS  25           HB2      CYS  25 -34.570  -0.589 -21.915
  190    HB3  CYS  25           HB1      CYS  25 -32.913  -0.994 -21.472
  191    HG   CYS  25           HG       CYS  25 -33.914  -2.038 -24.217
  192    H    ASP  26           HN       ASP  26 -33.252  -4.375 -23.188
  193    HA   ASP  26           HA       ASP  26 -31.862  -6.199 -21.788
  194    HB2  ASP  26           HB2      ASP  26 -30.276  -6.365 -23.655
  195    HB3  ASP  26           HB1      ASP  26 -31.929  -6.173 -24.236
  196    H    CYS  27           HN       CYS  27 -29.602  -6.468 -21.182
  197    HA   CYS  27           HA       CYS  27 -27.979  -4.101 -20.803
  198    HB2  CYS  27           HB2      CYS  27 -29.453  -3.847 -18.893
  199    HB3  CYS  27           HB1      CYS  27 -29.181  -5.518 -18.412
  200    HG   CYS  27           HG       CYS  27 -26.546  -4.719 -18.197
  201    H    ALA  28           HN       ALA  28 -25.911  -4.633 -19.742
  202    HA   ALA  28           HA       ALA  28 -24.993  -7.305 -20.540
  203    HB1  ALA  28           HB1      ALA  28 -22.719  -6.279 -20.203
  204    HB2  ALA  28           HB2      ALA  28 -23.530  -4.743 -19.904
  205    HB3  ALA  28           HB3      ALA  28 -23.687  -5.533 -21.473
  206    H    ASP  29           HN       ASP  29 -24.764  -5.050 -17.795
  207    HA   ASP  29           HA       ASP  29 -24.804  -7.240 -15.896
  208    HB2  ASP  29           HB2      ASP  29 -22.438  -7.192 -16.512
  209    HB3  ASP  29           HB1      ASP  29 -22.371  -5.465 -16.172
  210    H    PHE  30           HN       PHE  30 -26.422  -6.402 -14.661
  211    HA   PHE  30           HA       PHE  30 -26.280  -3.578 -13.794
  212    HB2  PHE  30           HB2      PHE  30 -28.564  -3.603 -13.499
  213    HB3  PHE  30           HB1      PHE  30 -28.450  -4.905 -14.682
  214    HD1  PHE  30           HD2      PHE  30 -28.294  -7.282 -13.835
  215    HD2  PHE  30           HD1      PHE  30 -29.382  -4.009 -11.309
  216    HE1  PHE  30           HE2      PHE  30 -29.317  -8.874 -12.222
  217    HE2  PHE  30           HE1      PHE  30 -30.398  -5.584  -9.687
  218    HZ   PHE  30           HZ       PHE  30 -30.381  -8.021 -10.148
  219    H    HIS  31           HN       HIS  31 -24.780  -6.138 -12.805
  220    HA   HIS  31           HA       HIS  31 -25.538  -6.546 -10.104
  221    HB2  HIS  31           HB2      HIS  31 -24.099  -8.111 -11.339
  222    HB3  HIS  31           HB1      HIS  31 -22.826  -6.885 -11.408
  223    HD2  HIS  31           HD2      HIS  31 -21.465  -6.444  -8.961
  224    HE1  HIS  31           HE1      HIS  31 -23.462  -9.456  -6.777
  225    HE2  HIS  31           HE2      HIS  31 -21.537  -7.801  -6.730
  226    H    THR  32           HN       THR  32 -24.031  -3.966 -11.692
  227    HA   THR  32           HA       THR  32 -22.501  -2.985  -9.449
  228    HB   THR  32           HB       THR  32 -22.147  -0.995 -10.835
  229    HG1  THR  32           HG1      THR  32 -24.004  -0.659 -11.874
  230   HG21  THR  32          HG21      THR  32 -22.013  -3.468 -12.571
  231   HG22  THR  32          HG22      THR  32 -20.884  -3.147 -11.256
  232   HG23  THR  32          HG23      THR  32 -20.961  -2.055 -12.639
  233    H    TYR  33           HN       TYR  33 -25.716  -3.273  -9.864
  234    HA   TYR  33           HA       TYR  33 -26.341  -0.777  -8.385
  235    HB2  TYR  33           HB2      TYR  33 -28.055  -2.342 -10.320
  236    HB3  TYR  33           HB1      TYR  33 -28.612  -0.984  -9.346
  237    HD1  TYR  33           HD2      TYR  33 -27.248   1.236  -9.519
  238    HD2  TYR  33           HD1      TYR  33 -27.076  -1.916 -12.423
  239    HE1  TYR  33           HE2      TYR  33 -26.342   2.827 -11.192
  240    HE2  TYR  33           HE1      TYR  33 -26.165  -0.328 -14.097
  241    HH   TYR  33           HH       TYR  33 -26.427   2.673 -14.112
  242    H    LEU  34           HN       LEU  34 -26.258  -4.148  -8.363
  243    HA   LEU  34           HA       LEU  34 -27.650  -4.210  -5.785
  244    HB2  LEU  34           HB2      LEU  34 -29.289  -4.778  -7.658
  245    HB3  LEU  34           HB1      LEU  34 -28.330  -6.228  -7.929
  246    HG   LEU  34           HG       LEU  34 -28.674  -6.842  -5.535
  247   HD11  LEU  34          HD11      LEU  34 -30.118  -4.222  -5.544
  248   HD12  LEU  34          HD12      LEU  34 -29.191  -4.987  -4.255
  249   HD13  LEU  34          HD13      LEU  34 -30.834  -5.522  -4.591
  250   HD21  LEU  34          HD21      LEU  34 -30.140  -7.977  -6.975
  251   HD22  LEU  34          HD22      LEU  34 -30.999  -6.500  -7.404
  252   HD23  LEU  34          HD23      LEU  34 -31.246  -7.231  -5.821
  253    H    SER  35           HN       SER  35 -26.835  -5.685  -4.371
  254    HA   SER  35           HA       SER  35 -24.385  -7.094  -5.236
  255    HB2  SER  35           HB2      SER  35 -24.435  -5.434  -3.274
  256    HB3  SER  35           HB1      SER  35 -25.316  -6.680  -2.394
  257    HG   SER  35           HG       SER  35 -22.682  -6.498  -2.959
  258    H    ARG  36           HN       ARG  36 -27.637  -7.677  -4.420
  259    HA   ARG  36           HA       ARG  36 -27.176 -10.553  -4.494
  260    HB2  ARG  36           HB2      ARG  36 -27.038  -9.781  -2.044
  261    HB3  ARG  36           HB1      ARG  36 -28.760  -9.428  -2.189
  262    HG2  ARG  36           HG2      ARG  36 -29.114 -11.789  -2.967
  263    HG3  ARG  36           HG1      ARG  36 -27.418 -12.107  -2.599
  264    HD2  ARG  36           HD2      ARG  36 -29.452 -11.085  -0.599
  265    HD3  ARG  36           HD1      ARG  36 -28.938 -12.765  -0.736
  266    HE   ARG  36           HE       ARG  36 -27.414 -10.571   0.407
  267   HH11  ARG  36          HH21      ARG  36 -27.384 -13.730  -1.009
  268   HH12  ARG  36          HH22      ARG  36 -25.882 -14.193  -0.283
  269   HH21  ARG  36          HH11      ARG  36 -25.440 -11.173   1.363
  270   HH22  ARG  36          HH12      ARG  36 -24.782 -12.747   1.061
  271    H    CYS  37           HN       CYS  37 -28.929 -11.658  -5.322
  272    HA   CYS  37           HA       CYS  37 -31.240  -9.983  -6.122
  273    HB2  CYS  37           HB2      CYS  37 -31.536 -11.765  -7.852
  274    HB3  CYS  37           HB1      CYS  37 -30.036 -10.846  -7.997
  275    HG   CYS  37           HG       CYS  37 -30.239 -13.819  -7.215
  276    H    ASN  38           HN       ASN  38 -32.745 -10.229  -4.601
  277    HA   ASN  38           HA       ASN  38 -33.702 -12.957  -3.988
  278    HB2  ASN  38           HB2      ASN  38 -33.508 -10.575  -2.146
  279    HB3  ASN  38           HB1      ASN  38 -34.365 -12.057  -1.762
  280   HD21  ASN  38          HD21      ASN  38 -32.251 -11.329  -0.088
  281   HD22  ASN  38          HD22      ASN  38 -30.929 -12.368  -0.349
  282    H    SER  39           HN       SER  39 -35.968 -13.009  -3.596
  283    HA   SER  39           HA       SER  39 -38.017 -12.689  -4.562
  284    HB2  SER  39           HB2      SER  39 -39.068 -10.552  -3.623
  285    HB3  SER  39           HB1      SER  39 -38.445 -11.728  -2.488
  286    HG   SER  39           HG       SER  39 -37.797  -9.227  -2.624
  287    H    ILE  40           HN       ILE  40 -38.951 -12.189  -6.349
  288    HA   ILE  40           HA       ILE  40 -38.183  -9.730  -7.814
  289    HB   ILE  40           HB       ILE  40 -37.836 -12.561  -8.777
  290   HG12  ILE  40          HG12      ILE  40 -35.974 -10.230  -9.263
  291   HG13  ILE  40          HG11      ILE  40 -35.965 -11.022  -7.692
  292   HG21  ILE  40          HG21      ILE  40 -37.348 -11.395 -11.051
  293   HG22  ILE  40          HG22      ILE  40 -38.300 -10.059 -10.402
  294   HG23  ILE  40          HG23      ILE  40 -39.034 -11.650 -10.602
  295   HD11  ILE  40          HD11      ILE  40 -35.701 -13.224  -9.046
  296   HD12  ILE  40          HD12      ILE  40 -34.310 -12.153  -8.911
  297   HD13  ILE  40          HD13      ILE  40 -35.272 -12.162 -10.387
  298    H    LYS  41           HN       LYS  41 -39.724  -8.934  -9.170
  299    HA   LYS  41           HA       LYS  41 -42.072 -10.526  -9.850
  300    HB2  LYS  41           HB2      LYS  41 -43.535  -8.558  -8.950
  301    HB3  LYS  41           HB1      LYS  41 -42.985  -9.810  -7.841
  302    HG2  LYS  41           HG2      LYS  41 -41.332  -8.456  -6.912
  303    HG3  LYS  41           HG1      LYS  41 -41.328  -7.347  -8.272
  304    HD2  LYS  41           HD2      LYS  41 -42.471  -6.527  -6.115
  305    HD3  LYS  41           HD1      LYS  41 -43.377  -6.345  -7.614
  306    HE2  LYS  41           HE2      LYS  41 -44.844  -8.090  -7.093
  307    HE3  LYS  41           HE1      LYS  41 -43.720  -8.843  -5.962
  308    HZ1  LYS  41           HZ1      LYS  41 -45.400  -6.451  -5.585
  309    HZ2  LYS  41           HZ2      LYS  41 -44.010  -6.690  -4.638
  310    HZ3  LYS  41           HZ3      LYS  41 -45.272  -7.828  -4.603
  311    H    VAL  42           HN       VAL  42 -41.853 -10.197 -12.033
  312    HA   VAL  42           HA       VAL  42 -40.993  -7.791 -13.165
  313    HB   VAL  42           HB       VAL  42 -42.356 -10.295 -14.111
  314   HG11  VAL  42          HG11      VAL  42 -42.117  -7.724 -15.636
  315   HG12  VAL  42          HG12      VAL  42 -43.403  -8.898 -15.636
  316   HG13  VAL  42          HG13      VAL  42 -41.910  -9.238 -16.489
  317   HG21  VAL  42          HG21      VAL  42 -39.879 -10.131 -13.635
  318   HG22  VAL  42          HG22      VAL  42 -39.765  -9.010 -14.994
  319   HG23  VAL  42          HG23      VAL  42 -40.292 -10.671 -15.262
  320    H    GLU  43           HN       GLU  43 -42.104  -6.210 -14.241
  321    HA   GLU  43           HA       GLU  43 -44.996  -5.978 -13.683
  322    HB2  GLU  43           HB2      GLU  43 -42.833  -3.869 -13.650
  323    HB3  GLU  43           HB1      GLU  43 -44.555  -3.512 -13.608
  324    HG2  GLU  43           HG2      GLU  43 -43.109  -5.250 -11.587
  325    HG3  GLU  43           HG1      GLU  43 -43.530  -3.559 -11.327
  326    H    GLY  44           HN       GLY  44 -44.282  -7.257 -15.945
  327    HA2  GLY  44           HA2      GLY  44 -45.308  -5.523 -17.988
  328    HA3  GLY  44           HA1      GLY  44 -43.598  -5.850 -18.210
  329    H    GLY  45           HN       GLY  45 -42.931  -7.834 -18.955
  330    HA2  GLY  45           HA2      GLY  45 -44.989  -9.903 -19.456
  331    HA3  GLY  45           HA1      GLY  45 -43.978  -9.316 -20.773
  332    H    THR  46           HN       THR  46 -42.844 -11.180 -21.209
  333    HA   THR  46           HA       THR  46 -41.678 -12.763 -19.103
  334    HB   THR  46           HB       THR  46 -41.184 -12.933 -22.084
  335    HG1  THR  46           HG1      THR  46 -42.836 -14.616 -21.821
  336   HG21  THR  46          HG21      THR  46 -40.799 -14.830 -19.756
  337   HG22  THR  46          HG22      THR  46 -39.581 -14.243 -20.883
  338   HG23  THR  46          HG23      THR  46 -40.814 -15.369 -21.436
  339    H    TRP  47           HN       TRP  47 -39.341 -13.321 -19.136
  340    HA   TRP  47           HA       TRP  47 -37.533 -11.298 -20.194
  341    HB2  TRP  47           HB2      TRP  47 -38.282 -11.500 -17.313
  342    HB3  TRP  47           HB1      TRP  47 -36.578 -11.234 -17.671
  343    HD1  TRP  47           HD1      TRP  47 -39.770  -9.493 -17.294
  344    HE1  TRP  47           HE1      TRP  47 -39.485  -7.000 -17.904
  345    HE3  TRP  47           HE3      TRP  47 -35.289  -9.678 -19.695
  346    HZ2  TRP  47           HZ2      TRP  47 -37.681  -5.347 -19.366
  347    HZ3  TRP  47           HZ3      TRP  47 -34.320  -7.632 -20.705
  348    HH2  TRP  47           HH2      TRP  47 -35.504  -5.466 -20.543
  349    H    ALA  48           HN       ALA  48 -35.334 -11.867 -20.006
  350    HA   ALA  48           HA       ALA  48 -34.819 -14.724 -19.417
  351    HB1  ALA  48           HB1      ALA  48 -34.211 -14.716 -21.653
  352    HB2  ALA  48           HB2      ALA  48 -32.733 -13.978 -21.047
  353    HB3  ALA  48           HB3      ALA  48 -34.019 -12.964 -21.700
  354    H    VAL  49           HN       VAL  49 -33.605 -14.924 -17.650
  355    HA   VAL  49           HA       VAL  49 -31.837 -12.669 -16.859
  356    HB   VAL  49           HB       VAL  49 -32.124 -13.675 -14.539
  357   HG11  VAL  49          HG11      VAL  49 -34.184 -12.470 -14.156
  358   HG12  VAL  49          HG12      VAL  49 -34.640 -12.620 -15.853
  359   HG13  VAL  49          HG13      VAL  49 -33.273 -11.603 -15.389
  360   HG21  VAL  49          HG21      VAL  49 -33.026 -15.855 -15.298
  361   HG22  VAL  49          HG22      VAL  49 -34.447 -15.034 -15.944
  362   HG23  VAL  49          HG23      VAL  49 -34.144 -15.044 -14.207
  363    H    TYR  50           HN       TYR  50 -29.738 -13.048 -16.604
  364    HA   TYR  50           HA       TYR  50 -28.768 -15.827 -16.886
  365    HB2  TYR  50           HB2      TYR  50 -27.307 -13.195 -17.230
  366    HB3  TYR  50           HB1      TYR  50 -26.652 -14.801 -17.553
  367    HD1  TYR  50           HD1      TYR  50 -29.002 -12.209 -18.694
  368    HD2  TYR  50           HD2      TYR  50 -27.391 -16.106 -19.477
  369    HE1  TYR  50           HE1      TYR  50 -29.958 -12.148 -20.979
  370    HE2  TYR  50           HE2      TYR  50 -28.349 -16.049 -21.763
  371    HH   TYR  50           HH       TYR  50 -29.212 -13.445 -23.315
  372    H    GLU  51           HN       GLU  51 -28.534 -16.709 -14.917
  373    HA   GLU  51           HA       GLU  51 -28.339 -15.760 -12.444
  374    HB2  GLU  51           HB2      GLU  51 -28.159 -18.148 -13.013
  375    HB3  GLU  51           HB1      GLU  51 -26.492 -17.900 -13.525
  376    HG2  GLU  51           HG2      GLU  51 -25.888 -17.172 -11.256
  377    HG3  GLU  51           HG1      GLU  51 -27.565 -17.367 -10.735
  378    H    ARG  52           HN       ARG  52 -25.759 -15.542 -14.832
  379    HA   ARG  52           HA       ARG  52 -24.240 -13.875 -12.926
  380    HB2  ARG  52           HB2      ARG  52 -23.043 -15.689 -15.008
  381    HB3  ARG  52           HB1      ARG  52 -22.173 -14.744 -13.797
  382    HG2  ARG  52           HG2      ARG  52 -23.217 -16.027 -11.996
  383    HG3  ARG  52           HG1      ARG  52 -24.170 -16.939 -13.167
  384    HD2  ARG  52           HD2      ARG  52 -21.852 -17.536 -14.221
  385    HD3  ARG  52           HD1      ARG  52 -21.207 -17.040 -12.658
  386    HE   ARG  52           HE       ARG  52 -23.370 -18.905 -12.384
  387   HH11  ARG  52          HH21      ARG  52 -20.011 -18.521 -13.122
  388   HH12  ARG  52          HH22      ARG  52 -19.572 -20.115 -12.606
  389   HH21  ARG  52          HH11      ARG  52 -22.805 -20.998 -11.708
  390   HH22  ARG  52          HH12      ARG  52 -21.157 -21.520 -11.804
  391    HA   PRO  53           HA       PRO  53 -24.338 -10.707 -16.052
  392    HB2  PRO  53           HB2      PRO  53 -21.511 -10.038 -15.503
  393    HB3  PRO  53           HB1      PRO  53 -22.967  -9.061 -15.294
  394    HG2  PRO  53           HG2      PRO  53 -21.572 -10.101 -13.213
  395    HG3  PRO  53           HG1      PRO  53 -23.313  -9.763 -13.158
  396    HD2  PRO  53           HD2      PRO  53 -21.910 -12.388 -13.408
  397    HD3  PRO  53           HD1      PRO  53 -23.473 -11.981 -12.666
  398    H    ASN  54           HN       ASN  54 -23.383  -9.966 -18.013
  399    HA   ASN  54           HA       ASN  54 -22.622 -10.389 -20.143
  400    HB2  ASN  54           HB2      ASN  54 -20.527 -12.181 -18.897
  401    HB3  ASN  54           HB1      ASN  54 -20.395 -11.182 -20.343
  402   HD21  ASN  54          HD21      ASN  54 -21.809  -8.917 -18.749
  403   HD22  ASN  54          HD22      ASN  54 -20.563  -8.285 -17.786
  404    H    PHE  55           HN       PHE  55 -24.754 -11.719 -20.088
  405    HA   PHE  55           HA       PHE  55 -25.821 -13.848 -20.066
  406    HB2  PHE  55           HB2      PHE  55 -24.190 -13.936 -22.580
  407    HB3  PHE  55           HB1      PHE  55 -25.888 -14.353 -22.348
  408    HD1  PHE  55           HD2      PHE  55 -26.647 -11.858 -20.638
  409    HD2  PHE  55           HD1      PHE  55 -24.457 -12.333 -24.318
  410    HE1  PHE  55           HE2      PHE  55 -27.259  -9.543 -21.291
  411    HE2  PHE  55           HE1      PHE  55 -25.081 -10.029 -24.976
  412    HZ   PHE  55           HZ       PHE  55 -26.474  -8.630 -23.465
  413    H    ALA  56           HN       ALA  56 -24.389 -14.729 -18.248
  414    HA   ALA  56           HA       ALA  56 -23.140 -17.190 -19.264
  415    HB1  ALA  56           HB1      ALA  56 -21.761 -15.268 -17.368
  416    HB2  ALA  56           HB2      ALA  56 -21.276 -15.614 -19.028
  417    HB3  ALA  56           HB3      ALA  56 -21.173 -16.874 -17.798
  418    H    GLY  57           HN       GLY  57 -22.799 -18.799 -17.557
  419    HA2  GLY  57           HA2      GLY  57 -23.310 -19.840 -15.535
  420    HA3  GLY  57           HA1      GLY  57 -24.099 -18.360 -15.000
  421    H    TYR  58           HN       TYR  58 -25.738 -19.920 -14.217
  422    HA   TYR  58           HA       TYR  58 -27.324 -21.441 -16.015
  423    HB2  TYR  58           HB2      TYR  58 -27.759 -20.387 -13.222
  424    HB3  TYR  58           HB1      TYR  58 -29.004 -21.303 -14.068
  425    HD1  TYR  58           HD1      TYR  58 -25.320 -21.458 -13.361
  426    HD2  TYR  58           HD2      TYR  58 -29.006 -23.611 -13.787
  427    HE1  TYR  58           HE1      TYR  58 -24.157 -23.563 -12.748
  428    HE2  TYR  58           HE2      TYR  58 -27.851 -25.716 -13.177
  429    HH   TYR  58           HH       TYR  58 -24.635 -25.745 -11.907
  430    H    MET  59           HN       MET  59 -29.117 -20.921 -17.161
  431    HA   MET  59           HA       MET  59 -30.094 -18.120 -16.994
  432    HB2  MET  59           HB2      MET  59 -30.071 -19.640 -19.591
  433    HB3  MET  59           HB1      MET  59 -30.053 -17.898 -19.311
  434    HG2  MET  59           HG2      MET  59 -27.742 -18.120 -18.378
  435    HG3  MET  59           HG1      MET  59 -27.769 -19.828 -18.804
  436    HE1  MET  59           HE1      MET  59 -29.324 -19.784 -21.816
  437    HE2  MET  59           HE2      MET  59 -28.199 -20.775 -20.893
  438    HE3  MET  59           HE3      MET  59 -27.713 -20.129 -22.457
  439    H    TYR  60           HN       TYR  60 -32.218 -17.900 -16.802
  440    HA   TYR  60           HA       TYR  60 -34.025 -20.058 -17.654
  441    HB2  TYR  60           HB2      TYR  60 -35.328 -19.340 -15.401
  442    HB3  TYR  60           HB1      TYR  60 -34.175 -20.670 -15.429
  443    HD1  TYR  60           HD2      TYR  60 -31.706 -20.117 -14.939
  444    HD2  TYR  60           HD1      TYR  60 -34.972 -17.509 -13.968
  445    HE1  TYR  60           HE2      TYR  60 -30.288 -18.960 -13.282
  446    HE2  TYR  60           HE1      TYR  60 -33.552 -16.351 -12.302
  447    HH   TYR  60           HH       TYR  60 -31.518 -16.860 -10.944
  448    H    ILE  61           HN       ILE  61 -36.232 -19.313 -17.860
  449    HA   ILE  61           HA       ILE  61 -36.324 -16.470 -18.683
  450    HB   ILE  61           HB       ILE  61 -38.023 -18.843 -19.487
  451   HG12  ILE  61          HG12      ILE  61 -36.991 -18.321 -21.740
  452   HG13  ILE  61          HG11      ILE  61 -35.911 -17.202 -20.914
  453   HG21  ILE  61          HG21      ILE  61 -39.437 -16.927 -19.527
  454   HG22  ILE  61          HG22      ILE  61 -38.892 -17.155 -21.189
  455   HG23  ILE  61          HG23      ILE  61 -38.152 -15.911 -20.180
  456   HD11  ILE  61          HD11      ILE  61 -35.260 -19.782 -21.363
  457   HD12  ILE  61          HD12      ILE  61 -36.042 -19.971 -19.796
  458   HD13  ILE  61          HD13      ILE  61 -34.665 -18.885 -19.971
  459    H    LEU  62           HN       LEU  62 -36.883 -15.492 -16.707
  460    HA   LEU  62           HA       LEU  62 -38.953 -16.494 -15.026
  461    HB2  LEU  62           HB2      LEU  62 -37.024 -14.340 -14.998
  462    HB3  LEU  62           HB1      LEU  62 -38.598 -13.702 -14.532
  463    HG   LEU  62           HG       LEU  62 -37.406 -16.214 -13.302
  464   HD11  LEU  62          HD11      LEU  62 -37.154 -13.313 -12.495
  465   HD12  LEU  62          HD12      LEU  62 -35.870 -14.499 -12.731
  466   HD13  LEU  62          HD13      LEU  62 -36.950 -14.634 -11.343
  467   HD21  LEU  62          HD21      LEU  62 -39.793 -14.444 -12.733
  468   HD22  LEU  62          HD22      LEU  62 -39.047 -15.364 -11.427
  469   HD23  LEU  62          HD23      LEU  62 -39.711 -16.203 -12.830
  470    HA   PRO  63           HA       PRO  63 -42.049 -14.628 -17.801
  471    HB2  PRO  63           HB2      PRO  63 -44.202 -16.078 -17.074
  472    HB3  PRO  63           HB1      PRO  63 -42.888 -16.771 -18.047
  473    HG2  PRO  63           HG2      PRO  63 -43.460 -17.103 -15.142
  474    HG3  PRO  63           HG1      PRO  63 -42.852 -18.283 -16.314
  475    HD2  PRO  63           HD2      PRO  63 -41.255 -16.841 -14.496
  476    HD3  PRO  63           HD1      PRO  63 -40.668 -17.680 -15.943
  477    H    GLN  64           HN       GLN  64 -44.048 -13.380 -17.555
  478    HA   GLN  64           HA       GLN  64 -44.006 -11.497 -15.525
  479    HB2  GLN  64           HB2      GLN  64 -45.374 -11.643 -17.784
  480    HB3  GLN  64           HB1      GLN  64 -46.639 -12.312 -16.752
  481    HG2  GLN  64           HG2      GLN  64 -45.304  -9.608 -16.523
  482    HG3  GLN  64           HG1      GLN  64 -46.995  -9.937 -16.855
  483   HE21  GLN  64          HE21      GLN  64 -44.821  -9.192 -14.342
  484   HE22  GLN  64          HE22      GLN  64 -45.815  -9.631 -13.037
  485    H    GLY  65           HN       GLY  65 -44.228 -11.799 -13.392
  486    HA2  GLY  65           HA2      GLY  65 -46.508 -12.737 -12.138
  487    HA3  GLY  65           HA1      GLY  65 -45.417 -14.115 -12.238
  488    H    GLU  66           HN       GLU  66 -45.938 -13.510  -9.762
  489    HA   GLU  66           HA       GLU  66 -43.912 -11.624  -8.766
  490    HB2  GLU  66           HB2      GLU  66 -46.256 -12.966  -7.418
  491    HB3  GLU  66           HB1      GLU  66 -45.090 -11.928  -6.592
  492    HG2  GLU  66           HG2      GLU  66 -45.647 -10.066  -8.078
  493    HG3  GLU  66           HG1      GLU  66 -46.758 -11.098  -8.981
  494    H    TYR  67           HN       TYR  67 -42.510 -12.245  -7.066
  495    HA   TYR  67           HA       TYR  67 -42.197 -15.070  -6.466
  496    HB2  TYR  67           HB2      TYR  67 -39.887 -13.543  -7.666
  497    HB3  TYR  67           HB1      TYR  67 -39.912 -15.220  -7.175
  498    HD1  TYR  67           HD1      TYR  67 -41.406 -12.840  -9.672
  499    HD2  TYR  67           HD2      TYR  67 -40.796 -16.944  -8.574
  500    HE1  TYR  67           HE1      TYR  67 -42.260 -13.548 -11.860
  501    HE2  TYR  67           HE2      TYR  67 -41.651 -17.643 -10.783
  502    HH   TYR  67           HH       TYR  67 -42.572 -16.982 -12.686
  503    HA   PRO  68           HA       PRO  68 -41.634 -12.238  -2.852
  504    HB2  PRO  68           HB2      PRO  68 -42.424 -14.740  -1.441
  505    HB3  PRO  68           HB1      PRO  68 -43.049 -13.089  -1.253
  506    HG2  PRO  68           HG2      PRO  68 -44.463 -14.985  -2.494
  507    HG3  PRO  68           HG1      PRO  68 -44.501 -13.295  -3.035
  508    HD2  PRO  68           HD2      PRO  68 -43.043 -15.631  -4.240
  509    HD3  PRO  68           HD1      PRO  68 -43.849 -14.266  -5.049
  510    H    GLU  69           HN       GLU  69 -40.191 -15.225  -3.762
  511    HA   GLU  69           HA       GLU  69 -37.829 -14.572  -2.166
  512    HB2  GLU  69           HB2      GLU  69 -39.321 -17.208  -1.962
  513    HB3  GLU  69           HB1      GLU  69 -37.674 -16.956  -1.383
  514    HG2  GLU  69           HG2      GLU  69 -38.485 -15.147   0.100
  515    HG3  GLU  69           HG1      GLU  69 -40.128 -15.436  -0.458
  516    H    TYR  70           HN       TYR  70 -35.982 -15.871  -2.861
  517    HA   TYR  70           HA       TYR  70 -35.815 -16.009  -5.674
  518    HB2  TYR  70           HB2      TYR  70 -33.558 -17.003  -5.242
  519    HB3  TYR  70           HB1      TYR  70 -33.844 -15.470  -4.420
  520    HD1  TYR  70           HD2      TYR  70 -34.660 -15.558  -1.957
  521    HD2  TYR  70           HD1      TYR  70 -32.945 -18.918  -4.025
  522    HE1  TYR  70           HE2      TYR  70 -34.228 -16.665   0.209
  523    HE2  TYR  70           HE1      TYR  70 -32.486 -20.017  -1.854
  524    HH   TYR  70           HH       TYR  70 -32.155 -18.932   0.731
  525    H    GLN  71           HN       GLN  71 -35.744 -18.626  -3.217
  526    HA   GLN  71           HA       GLN  71 -35.514 -20.861  -4.746
  527    HB2  GLN  71           HB2      GLN  71 -37.529 -20.565  -2.522
  528    HB3  GLN  71           HB1      GLN  71 -36.763 -22.061  -3.067
  529    HG2  GLN  71           HG2      GLN  71 -34.534 -21.001  -2.500
  530    HG3  GLN  71           HG1      GLN  71 -35.443 -19.691  -1.739
  531   HE21  GLN  71          HE21      GLN  71 -37.580 -21.747  -0.922
  532   HE22  GLN  71          HE22      GLN  71 -36.903 -22.514   0.436
  533    H    ARG  72           HN       ARG  72 -37.928 -18.589  -5.114
  534    HA   ARG  72           HA       ARG  72 -40.054 -20.289  -5.984
  535    HB2  ARG  72           HB2      ARG  72 -40.097 -17.887  -5.020
  536    HB3  ARG  72           HB1      ARG  72 -39.713 -17.392  -6.659
  537    HG2  ARG  72           HG2      ARG  72 -42.092 -17.344  -6.562
  538    HG3  ARG  72           HG1      ARG  72 -41.704 -18.839  -7.404
  539    HD2  ARG  72           HD2      ARG  72 -42.846 -20.004  -5.820
  540    HD3  ARG  72           HD1      ARG  72 -41.739 -19.417  -4.583
  541    HE   ARG  72           HE       ARG  72 -43.315 -17.789  -3.994
  542   HH11  ARG  72          HH21      ARG  72 -44.153 -19.416  -6.926
  543   HH12  ARG  72          HH22      ARG  72 -45.769 -18.796  -6.976
  544   HH21  ARG  72          HH11      ARG  72 -45.434 -16.963  -4.052
  545   HH22  ARG  72          HH12      ARG  72 -46.494 -17.406  -5.347
  546    H    TRP  73           HN       TRP  73 -37.099 -19.484  -7.372
  547    HA   TRP  73           HA       TRP  73 -38.151 -19.842 -10.137
  548    HB2  TRP  73           HB2      TRP  73 -36.090 -18.705 -10.903
  549    HB3  TRP  73           HB1      TRP  73 -37.106 -17.671  -9.910
  550    HD1  TRP  73           HD1      TRP  73 -35.256 -20.103  -7.777
  551    HE1  TRP  73           HE1      TRP  73 -33.317 -18.991  -6.617
  552    HE3  TRP  73           HE3      TRP  73 -35.098 -15.760 -10.427
  553    HZ2  TRP  73           HZ2      TRP  73 -31.849 -16.555  -6.771
  554    HZ3  TRP  73           HZ3      TRP  73 -33.381 -14.059  -9.889
  555    HH2  TRP  73           HH2      TRP  73 -31.750 -14.457  -8.062
  556    H    MET  74           HN       MET  74 -37.418 -21.839  -8.048
  557    HA   MET  74           HA       MET  74 -36.631 -23.996  -8.182
  558    HB2  MET  74           HB2      MET  74 -34.993 -23.134 -10.580
  559    HB3  MET  74           HB1      MET  74 -35.177 -24.775  -9.977
  560    HG2  MET  74           HG2      MET  74 -37.534 -23.080 -10.816
  561    HG3  MET  74           HG1      MET  74 -36.688 -24.160 -11.926
  562    HE1  MET  74           HE1      MET  74 -39.942 -26.055 -11.304
  563    HE2  MET  74           HE2      MET  74 -39.060 -24.890 -12.289
  564    HE3  MET  74           HE3      MET  74 -39.961 -24.338 -10.879
  565    H    GLY  75           HN       GLY  75 -35.456 -21.650  -6.783
  566    HA2  GLY  75           HA2      GLY  75 -33.463 -20.995  -5.732
  567    HA3  GLY  75           HA1      GLY  75 -33.595 -22.665  -5.190
  568    H    LEU  76           HN       LEU  76 -32.685 -21.142  -8.290
  569    HA   LEU  76           HA       LEU  76 -30.588 -23.055  -8.711
  570    HB2  LEU  76           HB2      LEU  76 -31.061 -20.459 -10.177
  571    HB3  LEU  76           HB1      LEU  76 -30.209 -21.884 -10.776
  572    HG   LEU  76           HG       LEU  76 -33.135 -21.880  -9.996
  573   HD11  LEU  76          HD11      LEU  76 -32.638 -20.392 -11.953
  574   HD12  LEU  76          HD12      LEU  76 -33.654 -21.773 -12.358
  575   HD13  LEU  76          HD13      LEU  76 -31.944 -21.788 -12.781
  576   HD21  LEU  76          HD21      LEU  76 -33.030 -23.980 -11.501
  577   HD22  LEU  76          HD22      LEU  76 -32.304 -24.105  -9.901
  578   HD23  LEU  76          HD23      LEU  76 -31.280 -23.873 -11.319
  579    H    ASN  77           HN       ASN  77 -30.616 -20.859  -6.487
  580    HA   ASN  77           HA       ASN  77 -28.598 -20.321  -5.283
  581    HB2  ASN  77           HB2      ASN  77 -27.086 -20.947  -7.181
  582    HB3  ASN  77           HB1      ASN  77 -27.482 -19.409  -7.947
  583   HD21  ASN  77          HD21      ASN  77 -25.347 -18.515  -7.750
  584   HD22  ASN  77          HD22      ASN  77 -24.674 -18.114  -6.238
  585    H    ASP  78           HN       ASP  78 -27.742 -18.037  -4.876
  586    HA   ASP  78           HA       ASP  78 -29.923 -16.124  -5.434
  587    HB2  ASP  78           HB2      ASP  78 -29.049 -14.878  -3.520
  588    HB3  ASP  78           HB1      ASP  78 -29.435 -16.535  -3.074
  589    H    ARG  79           HN       ARG  79 -28.754 -16.091  -7.636
  590    HA   ARG  79           HA       ARG  79 -27.035 -13.725  -7.648
  591    HB2  ARG  79           HB2      ARG  79 -25.577 -15.813  -7.617
  592    HB3  ARG  79           HB1      ARG  79 -26.263 -16.203  -9.188
  593    HG2  ARG  79           HG2      ARG  79 -24.366 -15.019  -9.844
  594    HG3  ARG  79           HG1      ARG  79 -25.552 -13.718  -9.787
  595    HD2  ARG  79           HD2      ARG  79 -24.809 -13.132  -7.511
  596    HD3  ARG  79           HD1      ARG  79 -23.652 -14.457  -7.541
  597    HE   ARG  79           HE       ARG  79 -23.236 -12.713  -9.756
  598   HH11  ARG  79          HH21      ARG  79 -22.858 -13.024  -6.332
  599   HH12  ARG  79          HH22      ARG  79 -21.495 -11.958  -6.246
  600   HH21  ARG  79          HH11      ARG  79 -21.446 -11.311  -9.651
  601   HH22  ARG  79          HH12      ARG  79 -20.696 -10.989  -8.123
  602    H    LEU  80           HN       LEU  80 -27.859 -12.355  -9.093
  603    HA   LEU  80           HA       LEU  80 -28.925 -13.411 -11.615
  604    HB2  LEU  80           HB2      LEU  80 -30.722 -12.969  -9.677
  605    HB3  LEU  80           HB1      LEU  80 -30.536 -11.302 -10.211
  606    HG   LEU  80           HG       LEU  80 -32.380 -12.321 -11.400
  607   HD11  LEU  80          HD11      LEU  80 -30.595 -10.799 -12.551
  608   HD12  LEU  80          HD12      LEU  80 -31.803 -11.606 -13.543
  609   HD13  LEU  80          HD13      LEU  80 -30.174 -12.267 -13.439
  610   HD21  LEU  80          HD21      LEU  80 -32.350 -14.396 -12.376
  611   HD22  LEU  80          HD22      LEU  80 -31.098 -14.691 -11.179
  612   HD23  LEU  80          HD23      LEU  80 -30.652 -14.294 -12.840
  613    H    SER  81           HN       SER  81 -28.254 -12.261 -13.274
  614    HA   SER  81           HA       SER  81 -27.116  -9.574 -12.776
  615    HB2  SER  81           HB2      SER  81 -25.436 -10.043 -14.244
  616    HB3  SER  81           HB1      SER  81 -25.759 -11.681 -13.693
  617    HG   SER  81           HG       SER  81 -26.483 -10.415 -16.092
  618    H    SER  82           HN       SER  82 -26.845  -8.868 -15.473
  619    HA   SER  82           HA       SER  82 -29.110  -7.449 -15.994
  620    HB2  SER  82           HB2      SER  82 -27.344  -6.871 -17.386
  621    HB3  SER  82           HB1      SER  82 -26.975  -8.551 -17.779
  622    HG   SER  82           HG       SER  82 -28.359  -8.460 -19.351
  623    H    CYS  83           HN       CYS  83 -30.443  -7.794 -18.134
  624    HA   CYS  83           HA       CYS  83 -31.329 -10.551 -18.451
  625    HB2  CYS  83           HB2      CYS  83 -33.557 -10.188 -17.710
  626    HB3  CYS  83           HB1      CYS  83 -32.535  -9.480 -16.453
  627    HG   CYS  83           HG       CYS  83 -33.376  -7.208 -17.024
  628    H    ARG  84           HN       ARG  84 -32.690 -10.827 -20.345
  629    HA   ARG  84           HA       ARG  84 -32.740  -8.484 -22.167
  630    HB2  ARG  84           HB2      ARG  84 -32.288 -11.406 -22.783
  631    HB3  ARG  84           HB1      ARG  84 -32.603 -10.179 -24.009
  632    HG2  ARG  84           HG2      ARG  84 -30.633  -8.910 -23.271
  633    HG3  ARG  84           HG1      ARG  84 -30.327 -10.101 -22.009
  634    HD2  ARG  84           HD2      ARG  84 -28.884 -10.582 -23.911
  635    HD3  ARG  84           HD1      ARG  84 -30.098 -11.853 -23.778
  636    HE   ARG  84           HE       ARG  84 -30.900  -9.707 -25.529
  637   HH11  ARG  84          HH21      ARG  84 -29.084 -12.638 -25.219
  638   HH12  ARG  84          HH22      ARG  84 -29.184 -13.041 -26.901
  639   HH21  ARG  84          HH11      ARG  84 -31.035 -10.227 -27.734
  640   HH22  ARG  84          HH12      ARG  84 -30.291 -11.675 -28.326
  641    H    ALA  85           HN       ALA  85 -34.687  -7.907 -22.897
  642    HA   ALA  85           HA       ALA  85 -37.068  -9.080 -21.944
  643    HB1  ALA  85           HB1      ALA  85 -38.175  -7.632 -23.680
  644    HB2  ALA  85           HB2      ALA  85 -36.568  -7.193 -24.261
  645    HB3  ALA  85           HB3      ALA  85 -37.064  -6.763 -22.625
  646    H    VAL  86           HN       VAL  86 -37.988 -10.945 -22.530
  647    HA   VAL  86           HA       VAL  86 -37.327 -12.092 -25.185
  648    HB   VAL  86           HB       VAL  86 -38.545 -13.389 -22.746
  649   HG11  VAL  86          HG11      VAL  86 -37.419 -14.596 -25.287
  650   HG12  VAL  86          HG12      VAL  86 -39.133 -14.503 -24.882
  651   HG13  VAL  86          HG13      VAL  86 -38.051 -15.489 -23.904
  652   HG21  VAL  86          HG21      VAL  86 -35.718 -13.247 -23.793
  653   HG22  VAL  86          HG22      VAL  86 -36.253 -14.512 -22.688
  654   HG23  VAL  86          HG23      VAL  86 -36.303 -12.824 -22.184
  655    H    HIS  87           HN       HIS  87 -38.801 -11.957 -26.733
  656    HA   HIS  87           HA       HIS  87 -41.587 -11.304 -26.093
  657    HB2  HIS  87           HB2      HIS  87 -40.134 -11.513 -28.744
  658    HB3  HIS  87           HB1      HIS  87 -41.806 -10.993 -28.540
  659    HD2  HIS  87           HD2      HIS  87 -38.283  -9.464 -28.429
  660    HE1  HIS  87           HE1      HIS  87 -40.848  -6.636 -26.626
  661    HE2  HIS  87           HE2      HIS  87 -38.511  -7.019 -27.542
  662    H    LEU  88           HN       LEU  88 -43.338 -12.564 -26.745
  663    HA   LEU  88           HA       LEU  88 -42.850 -15.396 -26.680
  664    HB2  LEU  88           HB2      LEU  88 -45.560 -14.233 -27.282
  665    HB3  LEU  88           HB1      LEU  88 -45.140 -15.640 -26.299
  666    HG   LEU  88           HG       LEU  88 -44.610 -12.744 -25.566
  667   HD11  LEU  88          HD11      LEU  88 -46.444 -14.719 -24.221
  668   HD12  LEU  88          HD12      LEU  88 -47.000 -13.620 -25.484
  669   HD13  LEU  88          HD13      LEU  88 -46.348 -12.972 -23.982
  670   HD21  LEU  88          HD21      LEU  88 -44.035 -15.361 -24.153
  671   HD22  LEU  88          HD22      LEU  88 -43.989 -13.790 -23.354
  672   HD23  LEU  88          HD23      LEU  88 -42.861 -14.149 -24.662
  673    HA   PRO  89           HA       PRO  89 -42.814 -16.037 -31.090
  674    HB2  PRO  89           HB2      PRO  89 -43.638 -18.642 -31.242
  675    HB3  PRO  89           HB1      PRO  89 -42.030 -18.174 -30.650
  676    HG2  PRO  89           HG2      PRO  89 -44.484 -18.886 -29.090
  677    HG3  PRO  89           HG1      PRO  89 -42.799 -19.379 -28.826
  678    HD2  PRO  89           HD2      PRO  89 -43.951 -17.373 -27.384
  679    HD3  PRO  89           HD1      PRO  89 -42.224 -17.369 -27.797
  680    H    SER  90           HN       SER  90 -44.176 -16.137 -32.895
  681    HA   SER  90           HA       SER  90 -46.933 -16.801 -32.762
  682    HB2  SER  90           HB2      SER  90 -47.014 -14.677 -31.502
  683    HB3  SER  90           HB1      SER  90 -46.292 -13.850 -32.880
  684    HG   SER  90           HG       SER  90 -48.108 -14.131 -34.016
  685    H    GLY  91           HN       GLY  91 -44.163 -15.615 -34.381
  686    HA2  GLY  91           HA2      GLY  91 -45.260 -14.965 -36.883
  687    HA3  GLY  91           HA1      GLY  91 -43.598 -15.480 -36.601
  688    H    GLY  92           HN       GLY  92 -44.363 -18.039 -35.440
  689    HA2  GLY  92           HA2      GLY  92 -45.616 -19.441 -37.730
  690    HA3  GLY  92           HA1      GLY  92 -44.027 -19.949 -37.155
  691    H    GLN  93           HN       GLN  93 -47.109 -19.053 -35.595
  692    HA   GLN  93           HA       GLN  93 -48.057 -19.939 -33.655
  693    HB2  GLN  93           HB2      GLN  93 -48.694 -22.452 -34.214
  694    HB3  GLN  93           HB1      GLN  93 -49.411 -21.122 -35.124
  695    HG2  GLN  93           HG2      GLN  93 -47.750 -21.398 -36.899
  696    HG3  GLN  93           HG1      GLN  93 -46.957 -22.680 -35.990
  697   HE21  GLN  93          HE21      GLN  93 -48.405 -24.634 -35.475
  698   HE22  GLN  93          HE22      GLN  93 -49.557 -25.075 -36.647
  699    H    TYR  94           HN       TYR  94 -46.899 -23.119 -34.264
  700    HA   TYR  94           HA       TYR  94 -44.601 -22.936 -32.520
  701    HB2  TYR  94           HB2      TYR  94 -46.746 -23.008 -31.059
  702    HB3  TYR  94           HB1      TYR  94 -46.846 -24.694 -31.557
  703    HD1  TYR  94           HD1      TYR  94 -44.336 -22.228 -30.256
  704    HD2  TYR  94           HD2      TYR  94 -45.711 -26.284 -30.266
  705    HE1  TYR  94           HE1      TYR  94 -42.611 -22.824 -28.575
  706    HE2  TYR  94           HE2      TYR  94 -44.002 -26.882 -28.590
  707    HH   TYR  94           HH       TYR  94 -41.537 -24.574 -27.592
  708    H    LYS  95           HN       LYS  95 -43.186 -24.191 -33.610
  709    HA   LYS  95           HA       LYS  95 -43.916 -26.937 -34.261
  710    HB2  LYS  95           HB2      LYS  95 -44.651 -25.606 -36.224
  711    HB3  LYS  95           HB1      LYS  95 -43.001 -25.014 -36.406
  712    HG2  LYS  95           HG2      LYS  95 -43.382 -26.876 -37.938
  713    HG3  LYS  95           HG1      LYS  95 -42.217 -27.354 -36.704
  714    HD2  LYS  95           HD2      LYS  95 -43.700 -28.786 -35.642
  715    HD3  LYS  95           HD1      LYS  95 -45.128 -27.900 -36.185
  716    HE2  LYS  95           HE2      LYS  95 -43.345 -29.639 -37.916
  717    HE3  LYS  95           HE1      LYS  95 -44.964 -30.048 -37.347
  718    HZ1  LYS  95           HZ1      LYS  95 -45.741 -28.000 -38.510
  719    HZ2  LYS  95           HZ2      LYS  95 -45.181 -29.234 -39.534
  720    HZ3  LYS  95           HZ3      LYS  95 -44.203 -27.880 -39.217
  721    H    ILE  96           HN       ILE  96 -42.262 -28.228 -33.865
  722    HA   ILE  96           HA       ILE  96 -39.495 -27.180 -34.099
  723    HB   ILE  96           HB       ILE  96 -39.820 -27.080 -31.783
  724   HG12  ILE  96          HG12      ILE  96 -38.829 -29.925 -32.057
  725   HG13  ILE  96          HG11      ILE  96 -37.855 -28.565 -32.613
  726   HG21  ILE  96          HG21      ILE  96 -40.970 -28.804 -30.473
  727   HG22  ILE  96          HG22      ILE  96 -41.161 -29.800 -31.913
  728   HG23  ILE  96          HG23      ILE  96 -42.026 -28.272 -31.780
  729   HD11  ILE  96          HD11      ILE  96 -37.178 -29.079 -30.359
  730   HD12  ILE  96          HD12      ILE  96 -38.849 -29.084 -29.805
  731   HD13  ILE  96          HD13      ILE  96 -38.087 -27.572 -30.302
  732    H    GLN  97           HN       GLN  97 -37.997 -28.541 -34.822
  733    HA   GLN  97           HA       GLN  97 -38.799 -31.316 -35.462
  734    HB2  GLN  97           HB2      GLN  97 -37.354 -29.249 -37.098
  735    HB3  GLN  97           HB1      GLN  97 -36.935 -30.947 -37.316
  736    HG2  GLN  97           HG2      GLN  97 -39.250 -31.498 -37.814
  737    HG3  GLN  97           HG1      GLN  97 -39.754 -29.845 -37.482
  738   HE21  GLN  97          HE21      GLN  97 -36.872 -29.311 -38.869
  739   HE22  GLN  97          HE22      GLN  97 -37.311 -29.259 -40.512
  740    H    ILE  98           HN       ILE  98 -37.570 -32.821 -34.554
  741    HA   ILE  98           HA       ILE  98 -34.979 -31.997 -33.340
  742    HB   ILE  98           HB       ILE  98 -36.707 -34.299 -32.404
  743   HG12  ILE  98          HG12      ILE  98 -36.841 -31.420 -31.474
  744   HG13  ILE  98          HG11      ILE  98 -38.100 -32.256 -32.385
  745   HG21  ILE  98          HG21      ILE  98 -34.678 -32.526 -31.036
  746   HG22  ILE  98          HG22      ILE  98 -34.367 -34.151 -31.642
  747   HG23  ILE  98          HG23      ILE  98 -35.493 -33.907 -30.310
  748   HD11  ILE  98          HD11      ILE  98 -38.906 -32.599 -30.257
  749   HD12  ILE  98          HD12      ILE  98 -37.303 -32.590 -29.525
  750   HD13  ILE  98          HD13      ILE  98 -37.874 -34.021 -30.388
  751    H    PHE  99           HN       PHE  99 -33.212 -33.115 -33.964
  752    HA   PHE  99           HA       PHE  99 -33.617 -35.547 -35.620
  753    HB2  PHE  99           HB2      PHE  99 -31.508 -33.387 -35.659
  754    HB3  PHE  99           HB1      PHE  99 -31.254 -34.950 -36.434
  755    HD1  PHE  99           HD1      PHE  99 -33.420 -31.926 -36.395
  756    HD2  PHE  99           HD2      PHE  99 -32.342 -35.522 -38.488
  757    HE1  PHE  99           HE1      PHE  99 -34.725 -31.172 -38.366
  758    HE2  PHE  99           HE2      PHE  99 -33.646 -34.765 -40.458
  759    HZ   PHE  99           HZ       PHE  99 -34.834 -32.590 -40.398
  760    H    GLU 100           HN       GLU 100 -32.829 -37.406 -34.940
  761    HA   GLU 100           HA       GLU 100 -31.830 -37.769 -32.346
  762    HB2  GLU 100           HB2      GLU 100 -32.965 -39.541 -33.637
  763    HB3  GLU 100           HB1      GLU 100 -31.578 -39.621 -34.728
  764    HG2  GLU 100           HG2      GLU 100 -30.119 -40.279 -32.873
  765    HG3  GLU 100           HG1      GLU 100 -31.456 -40.108 -31.734
  766    H    LYS 101           HN       LYS 101 -30.222 -37.256 -35.411
  767    HA   LYS 101           HA       LYS 101 -27.579 -37.470 -34.075
  768    HB2  LYS 101           HB2      LYS 101 -28.248 -37.703 -37.010
  769    HB3  LYS 101           HB1      LYS 101 -26.669 -37.956 -36.270
  770    HG2  LYS 101           HG2      LYS 101 -27.502 -39.850 -35.028
  771    HG3  LYS 101           HG1      LYS 101 -29.144 -39.557 -35.590
  772    HD2  LYS 101           HD2      LYS 101 -28.401 -39.936 -37.921
  773    HD3  LYS 101           HD1      LYS 101 -26.771 -40.280 -37.334
  774    HE2  LYS 101           HE2      LYS 101 -27.639 -42.165 -36.006
  775    HE3  LYS 101           HE1      LYS 101 -29.270 -41.819 -36.578
  776    HZ1  LYS 101           HZ1      LYS 101 -28.754 -43.261 -38.184
  777    HZ2  LYS 101           HZ2      LYS 101 -27.078 -43.121 -37.932
  778    HZ3  LYS 101           HZ3      LYS 101 -27.898 -41.970 -38.874
  779    H    GLY 102           HN       GLY 102 -26.019 -35.865 -34.537
  780    HA2  GLY 102           HA2      GLY 102 -27.052 -33.233 -34.760
  781    HA3  GLY 102           HA1      GLY 102 -25.350 -33.670 -34.775
  782    H    ASP 103           HN       ASP 103 -26.041 -31.652 -36.378
  783    HA   ASP 103           HA       ASP 103 -25.920 -30.890 -38.529
  784    HB2  ASP 103           HB2      ASP 103 -23.960 -32.518 -38.493
  785    HB3  ASP 103           HB1      ASP 103 -25.027 -33.670 -39.291
  786    H    PHE 104           HN       PHE 104 -28.390 -32.073 -37.564
  787    HA   PHE 104           HA       PHE 104 -30.452 -32.729 -38.315
  788    HB2  PHE 104           HB2      PHE 104 -29.576 -31.921 -41.080
  789    HB3  PHE 104           HB1      PHE 104 -31.170 -31.797 -40.339
  790    HD1  PHE 104           HD2      PHE 104 -30.989 -30.485 -37.904
  791    HD2  PHE 104           HD1      PHE 104 -28.515 -29.859 -41.362
  792    HE1  PHE 104           HE2      PHE 104 -30.444 -28.213 -37.103
  793    HE2  PHE 104           HE1      PHE 104 -27.982 -27.577 -40.563
  794    HZ   PHE 104           HZ       PHE 104 -28.946 -26.756 -38.432
  795    H    SER 105           HN       SER 105 -29.878 -34.979 -37.925
  796    HA   SER 105           HA       SER 105 -30.238 -36.570 -40.313
  797    HB2  SER 105           HB2      SER 105 -27.616 -36.503 -38.855
  798    HB3  SER 105           HB1      SER 105 -28.163 -38.022 -39.559
  799    HG   SER 105           HG       SER 105 -27.319 -35.676 -40.756
  800    H    GLY 106           HN       GLY 106 -30.509 -38.873 -39.787
  801    HA2  GLY 106           HA2      GLY 106 -31.088 -40.652 -38.375
  802    HA3  GLY 106           HA1      GLY 106 -31.000 -39.560 -37.001
  803    H    GLN 107           HN       GLN 107 -32.960 -40.172 -36.143
  804    HA   GLN 107           HA       GLN 107 -35.386 -40.139 -37.694
  805    HB2  GLN 107           HB2      GLN 107 -35.239 -41.652 -35.811
  806    HB3  GLN 107           HB1      GLN 107 -34.893 -40.321 -34.711
  807    HG2  GLN 107           HG2      GLN 107 -37.261 -41.070 -34.591
  808    HG3  GLN 107           HG1      GLN 107 -37.125 -39.385 -35.093
  809   HE21  GLN 107          HE21      GLN 107 -38.973 -39.240 -36.423
  810   HE22  GLN 107          HE22      GLN 107 -39.210 -40.185 -37.812
  811    H    MET 108           HN       MET 108 -36.931 -38.557 -37.823
  812    HA   MET 108           HA       MET 108 -36.334 -35.984 -36.498
  813    HB2  MET 108           HB2      MET 108 -35.925 -35.954 -38.947
  814    HB3  MET 108           HB1      MET 108 -37.623 -36.363 -39.192
  815    HG2  MET 108           HG2      MET 108 -38.282 -34.316 -37.953
  816    HG3  MET 108           HG1      MET 108 -36.579 -33.908 -37.746
  817    HE1  MET 108           HE1      MET 108 -39.272 -34.951 -40.062
  818    HE2  MET 108           HE2      MET 108 -39.113 -33.979 -41.523
  819    HE3  MET 108           HE3      MET 108 -39.655 -33.225 -40.027
  820    H    TYR 109           HN       TYR 109 -37.894 -35.235 -35.164
  821    HA   TYR 109           HA       TYR 109 -40.629 -36.332 -35.483
  822    HB2  TYR 109           HB2      TYR 109 -39.049 -35.601 -33.027
  823    HB3  TYR 109           HB1      TYR 109 -40.798 -35.816 -33.017
  824    HD1  TYR 109           HD2      TYR 109 -41.637 -38.037 -34.264
  825    HD2  TYR 109           HD1      TYR 109 -37.732 -37.482 -32.551
  826    HE1  TYR 109           HE2      TYR 109 -41.354 -40.494 -34.112
  827    HE2  TYR 109           HE1      TYR 109 -37.455 -39.943 -32.400
  828    HH   TYR 109           HH       TYR 109 -39.696 -42.144 -33.896
  829    H    GLU 110           HN       GLU 110 -42.255 -34.951 -35.631
  830    HA   GLU 110           HA       GLU 110 -41.716 -32.063 -35.226
  831    HB2  GLU 110           HB2      GLU 110 -43.499 -31.801 -37.081
  832    HB3  GLU 110           HB1      GLU 110 -41.868 -32.258 -37.561
  833    HG2  GLU 110           HG2      GLU 110 -42.506 -34.590 -37.705
  834    HG3  GLU 110           HG1      GLU 110 -44.104 -34.229 -37.054
  835    H    THR 111           HN       THR 111 -42.997 -31.136 -33.764
  836    HA   THR 111           HA       THR 111 -45.771 -31.985 -33.454
  837    HB   THR 111           HB       THR 111 -44.310 -33.450 -31.948
  838    HG1  THR 111           HG1      THR 111 -45.964 -33.507 -30.623
  839   HG21  THR 111          HG21      THR 111 -44.174 -30.976 -30.221
  840   HG22  THR 111          HG22      THR 111 -42.859 -31.405 -31.317
  841   HG23  THR 111          HG23      THR 111 -43.317 -32.502 -30.015
  842    H    THR 112           HN       THR 112 -47.008 -30.247 -33.142
  843    HA   THR 112           HA       THR 112 -45.717 -27.689 -32.479
  844    HB   THR 112           HB       THR 112 -47.101 -27.602 -34.416
  845    HG1  THR 112           HG1      THR 112 -49.027 -26.462 -33.018
  846   HG21  THR 112          HG21      THR 112 -49.233 -28.846 -32.673
  847   HG22  THR 112          HG22      THR 112 -48.442 -29.585 -34.065
  848   HG23  THR 112          HG23      THR 112 -49.516 -28.202 -34.290
  849    H    GLU 113           HN       GLU 113 -45.932 -29.530 -30.376
  850    HA   GLU 113           HA       GLU 113 -47.643 -27.998 -28.518
  851    HB2  GLU 113           HB2      GLU 113 -48.115 -30.309 -27.396
  852    HB3  GLU 113           HB1      GLU 113 -49.063 -29.838 -28.810
  853    HG2  GLU 113           HG2      GLU 113 -47.597 -31.140 -30.267
  854    HG3  GLU 113           HG1      GLU 113 -46.567 -31.556 -28.897
  855    H    ASP 114           HN       ASP 114 -47.159 -28.909 -26.174
  856    HA   ASP 114           HA       ASP 114 -44.293 -28.608 -25.771
  857    HB2  ASP 114           HB2      ASP 114 -44.962 -28.796 -23.331
  858    HB3  ASP 114           HB1      ASP 114 -45.627 -27.425 -24.215
  859    H    CYS 115           HN       CYS 115 -43.058 -30.091 -24.538
  860    HA   CYS 115           HA       CYS 115 -44.061 -32.876 -24.608
  861    HB2  CYS 115           HB2      CYS 115 -41.315 -31.893 -25.382
  862    HB3  CYS 115           HB1      CYS 115 -41.839 -33.576 -25.352
  863    HG   CYS 115           HG       CYS 115 -43.602 -31.792 -27.115
  864    HA   PRO 116           HA       PRO 116 -42.411 -32.371 -20.395
  865    HB2  PRO 116           HB2      PRO 116 -43.400 -34.677 -19.314
  866    HB3  PRO 116           HB1      PRO 116 -44.425 -33.257 -19.621
  867    HG2  PRO 116           HG2      PRO 116 -44.155 -35.767 -21.208
  868    HG3  PRO 116           HG1      PRO 116 -45.601 -34.801 -20.863
  869    HD2  PRO 116           HD2      PRO 116 -44.179 -34.694 -23.247
  870    HD3  PRO 116           HD1      PRO 116 -45.225 -33.390 -22.653
  871    H    SER 117           HN       SER 117 -42.388 -35.627 -21.836
  872    HA   SER 117           HA       SER 117 -39.502 -35.891 -21.147
  873    HB2  SER 117           HB2      SER 117 -41.664 -38.006 -21.176
  874    HB3  SER 117           HB1      SER 117 -39.940 -38.369 -21.093
  875    HG   SER 117           HG       SER 117 -40.823 -38.231 -19.012
  876    H    ILE 118           HN       ILE 118 -38.326 -35.693 -22.947
  877    HA   ILE 118           HA       ILE 118 -39.422 -36.024 -25.542
  878    HB   ILE 118           HB       ILE 118 -37.322 -34.679 -24.570
  879   HG12  ILE 118          HG12      ILE 118 -37.403 -35.724 -27.413
  880   HG13  ILE 118          HG11      ILE 118 -38.380 -34.390 -26.802
  881   HG21  ILE 118          HG21      ILE 118 -36.008 -36.729 -24.123
  882   HG22  ILE 118          HG22      ILE 118 -35.205 -35.622 -25.234
  883   HG23  ILE 118          HG23      ILE 118 -35.998 -37.063 -25.858
  884   HD11  ILE 118          HD11      ILE 118 -36.091 -33.942 -28.047
  885   HD12  ILE 118          HD12      ILE 118 -35.407 -34.221 -26.447
  886   HD13  ILE 118          HD13      ILE 118 -36.597 -32.943 -26.699
  887    H    MET 119           HN       MET 119 -37.281 -38.016 -23.560
  888    HA   MET 119           HA       MET 119 -36.807 -40.002 -25.514
  889    HB2  MET 119           HB2      MET 119 -35.392 -39.641 -23.506
  890    HB3  MET 119           HB1      MET 119 -36.712 -40.262 -22.515
  891    HG2  MET 119           HG2      MET 119 -36.600 -42.419 -23.546
  892    HG3  MET 119           HG1      MET 119 -35.510 -41.831 -24.800
  893    HE1  MET 119           HE1      MET 119 -33.460 -44.362 -22.684
  894    HE2  MET 119           HE2      MET 119 -33.782 -43.815 -24.329
  895    HE3  MET 119           HE3      MET 119 -35.116 -44.345 -23.306
  896    H    GLU 120           HN       GLU 120 -39.492 -39.346 -23.484
  897    HA   GLU 120           HA       GLU 120 -40.512 -42.022 -23.333
  898    HB2  GLU 120           HB2      GLU 120 -41.089 -40.265 -21.708
  899    HB3  GLU 120           HB1      GLU 120 -41.953 -39.399 -22.978
  900    HG2  GLU 120           HG2      GLU 120 -43.578 -40.650 -21.723
  901    HG3  GLU 120           HG1      GLU 120 -43.405 -41.462 -23.272
  902    H    GLN 121           HN       GLN 121 -41.313 -39.179 -25.339
  903    HA   GLN 121           HA       GLN 121 -43.148 -40.847 -26.911
  904    HB2  GLN 121           HB2      GLN 121 -43.979 -38.743 -27.793
  905    HB3  GLN 121           HB1      GLN 121 -44.036 -38.775 -26.036
  906    HG2  GLN 121           HG2      GLN 121 -42.379 -37.167 -25.793
  907    HG3  GLN 121           HG1      GLN 121 -41.574 -37.610 -27.301
  908   HE21  GLN 121          HE21      GLN 121 -42.371 -34.904 -26.466
  909   HE22  GLN 121          HE22      GLN 121 -43.479 -34.347 -27.629
  910    H    PHE 122           HN       PHE 122 -40.066 -39.192 -27.174
  911    HA   PHE 122           HA       PHE 122 -40.007 -39.843 -30.066
  912    HB2  PHE 122           HB2      PHE 122 -38.441 -37.765 -28.534
  913    HB3  PHE 122           HB1      PHE 122 -38.267 -38.100 -30.255
  914    HD1  PHE 122           HD2      PHE 122 -40.967 -38.391 -31.293
  915    HD2  PHE 122           HD1      PHE 122 -39.554 -35.732 -28.234
  916    HE1  PHE 122           HE2      PHE 122 -42.842 -36.865 -31.751
  917    HE2  PHE 122           HE1      PHE 122 -41.427 -34.194 -28.715
  918    HZ   PHE 122           HZ       PHE 122 -43.073 -34.769 -30.472
  919    H    HIS 123           HN       HIS 123 -39.025 -41.068 -27.234
  920    HA   HIS 123           HA       HIS 123 -37.360 -42.532 -26.615
  921    HB2  HIS 123           HB2      HIS 123 -37.388 -43.018 -29.592
  922    HB3  HIS 123           HB1      HIS 123 -36.616 -44.070 -28.402
  923    HD2  HIS 123           HD2      HIS 123 -39.250 -45.278 -30.002
  924    HE1  HIS 123           HE1      HIS 123 -41.308 -44.549 -26.389
  925    HE2  HIS 123           HE2      HIS 123 -41.387 -45.805 -28.595
  926    H    MET 124           HN       MET 124 -36.635 -39.715 -27.740
  927    HA   MET 124           HA       MET 124 -33.907 -40.104 -28.632
  928    HB2  MET 124           HB2      MET 124 -35.623 -37.694 -28.046
  929    HB3  MET 124           HB1      MET 124 -33.896 -37.552 -28.355
  930    HG2  MET 124           HG2      MET 124 -34.154 -38.615 -30.530
  931    HG3  MET 124           HG1      MET 124 -35.869 -38.893 -30.220
  932    HE1  MET 124           HE1      MET 124 -34.051 -36.674 -32.630
  933    HE2  MET 124           HE2      MET 124 -35.729 -36.324 -33.027
  934    HE3  MET 124           HE3      MET 124 -35.255 -37.968 -32.614
  935    H    ARG 125           HN       ARG 125 -32.133 -40.019 -27.397
  936    HA   ARG 125           HA       ARG 125 -32.506 -39.655 -24.491
  937    HB2  ARG 125           HB2      ARG 125 -30.187 -40.851 -24.534
  938    HB3  ARG 125           HB1      ARG 125 -31.642 -41.798 -24.837
  939    HG2  ARG 125           HG2      ARG 125 -31.299 -41.644 -27.246
  940    HG3  ARG 125           HG1      ARG 125 -29.910 -40.578 -27.009
  941    HD2  ARG 125           HD2      ARG 125 -29.126 -42.852 -27.411
  942    HD3  ARG 125           HD1      ARG 125 -28.778 -42.399 -25.745
  943    HE   ARG 125           HE       ARG 125 -31.301 -43.681 -25.868
  944   HH11  ARG 125          HH21      ARG 125 -27.908 -44.283 -26.193
  945   HH12  ARG 125          HH22      ARG 125 -28.009 -45.925 -25.652
  946   HH21  ARG 125          HH11      ARG 125 -31.439 -45.829 -25.152
  947   HH22  ARG 125          HH12      ARG 125 -30.008 -46.800 -25.060
  948    H    GLU 126           HN       GLU 126 -30.769 -38.506 -27.324
  949    HA   GLU 126           HA       GLU 126 -29.788 -36.253 -25.763
  950    HB2  GLU 126           HB2      GLU 126 -27.798 -37.861 -27.361
  951    HB3  GLU 126           HB1      GLU 126 -27.474 -36.472 -26.341
  952    HG2  GLU 126           HG2      GLU 126 -28.241 -37.783 -24.365
  953    HG3  GLU 126           HG1      GLU 126 -28.429 -39.188 -25.414
  954    H    ILE 127           HN       ILE 127 -30.634 -34.674 -26.916
  955    HA   ILE 127           HA       ILE 127 -30.986 -34.816 -29.767
  956    HB   ILE 127           HB       ILE 127 -31.162 -32.303 -28.096
  957   HG12  ILE 127          HG12      ILE 127 -32.536 -33.844 -26.892
  958   HG13  ILE 127          HG11      ILE 127 -33.646 -32.964 -27.942
  959   HG21  ILE 127          HG21      ILE 127 -32.520 -33.261 -30.619
  960   HG22  ILE 127          HG22      ILE 127 -31.317 -31.993 -30.507
  961   HG23  ILE 127          HG23      ILE 127 -32.901 -31.754 -29.785
  962   HD11  ILE 127          HD11      ILE 127 -33.349 -34.855 -29.629
  963   HD12  ILE 127          HD12      ILE 127 -34.226 -35.273 -28.157
  964   HD13  ILE 127          HD13      ILE 127 -32.543 -35.747 -28.338
  965    H    HIS 128           HN       HIS 128 -29.606 -34.364 -31.292
  966    HA   HIS 128           HA       HIS 128 -27.086 -32.989 -30.605
  967    HB2  HIS 128           HB2      HIS 128 -27.785 -34.809 -32.889
  968    HB3  HIS 128           HB1      HIS 128 -26.194 -34.119 -32.597
  969    HD2  HIS 128           HD2      HIS 128 -24.754 -35.369 -30.491
  970    HE1  HIS 128           HE1      HIS 128 -27.682 -38.282 -29.624
  971    HE2  HIS 128           HE2      HIS 128 -25.295 -37.542 -29.147
  972    H    SER 129           HN       SER 129 -29.865 -32.903 -32.742
  973    HA   SER 129           HA       SER 129 -29.154 -30.187 -33.547
  974    HB2  SER 129           HB2      SER 129 -29.232 -32.519 -35.433
  975    HB3  SER 129           HB1      SER 129 -29.698 -30.914 -36.000
  976    HG   SER 129           HG       SER 129 -27.563 -30.928 -36.292
  977    H    CYS 130           HN       CYS 130 -30.898 -28.965 -34.174
  978    HA   CYS 130           HA       CYS 130 -33.521 -30.170 -34.537
  979    HB2  CYS 130           HB2      CYS 130 -33.597 -30.085 -32.167
  980    HB3  CYS 130           HB1      CYS 130 -32.799 -28.511 -32.116
  981    HG   CYS 130           HG       CYS 130 -35.726 -28.893 -33.171
  982    H    LYS 131           HN       LYS 131 -34.617 -29.016 -36.010
  983    HA   LYS 131           HA       LYS 131 -33.739 -26.232 -36.564
  984    HB2  LYS 131           HB2      LYS 131 -34.940 -28.289 -38.425
  985    HB3  LYS 131           HB1      LYS 131 -34.549 -26.625 -38.866
  986    HG2  LYS 131           HG2      LYS 131 -32.179 -27.070 -38.146
  987    HG3  LYS 131           HG1      LYS 131 -32.619 -28.764 -37.943
  988    HD2  LYS 131           HD2      LYS 131 -33.013 -27.256 -40.540
  989    HD3  LYS 131           HD1      LYS 131 -31.557 -28.184 -40.184
  990    HE2  LYS 131           HE2      LYS 131 -33.107 -30.170 -39.734
  991    HE3  LYS 131           HE1      LYS 131 -34.387 -29.207 -40.472
  992    HZ1  LYS 131           HZ1      LYS 131 -33.337 -29.204 -42.506
  993    HZ2  LYS 131           HZ2      LYS 131 -33.018 -30.774 -41.944
  994    HZ3  LYS 131           HZ3      LYS 131 -31.816 -29.578 -41.855
  995    H    VAL 132           HN       VAL 132 -35.626 -25.127 -37.929
  996    HA   VAL 132           HA       VAL 132 -37.695 -24.138 -37.845
  997    HB   VAL 132           HB       VAL 132 -38.696 -26.711 -36.628
  998   HG11  VAL 132          HG11      VAL 132 -40.314 -24.891 -36.741
  999   HG12  VAL 132          HG12      VAL 132 -40.713 -26.098 -37.963
 1000   HG13  VAL 132          HG13      VAL 132 -39.912 -24.602 -38.433
 1001   HG21  VAL 132          HG21      VAL 132 -38.013 -26.051 -39.505
 1002   HG22  VAL 132          HG22      VAL 132 -39.035 -27.410 -39.034
 1003   HG23  VAL 132          HG23      VAL 132 -37.346 -27.355 -38.523
 1004    H    LEU 133           HN       LEU 133 -36.383 -23.009 -35.974
 1005    HA   LEU 133           HA       LEU 133 -37.617 -23.541 -33.353
 1006    HB2  LEU 133           HB2      LEU 133 -35.254 -21.907 -34.261
 1007    HB3  LEU 133           HB1      LEU 133 -35.933 -21.715 -32.644
 1008    HG   LEU 133           HG       LEU 133 -34.024 -23.333 -32.732
 1009   HD11  LEU 133          HD11      LEU 133 -36.451 -24.988 -32.073
 1010   HD12  LEU 133          HD12      LEU 133 -36.192 -23.491 -31.175
 1011   HD13  LEU 133          HD13      LEU 133 -34.967 -24.757 -31.156
 1012   HD21  LEU 133          HD21      LEU 133 -34.789 -24.171 -35.076
 1013   HD22  LEU 133          HD22      LEU 133 -35.888 -25.218 -34.180
 1014   HD23  LEU 133          HD23      LEU 133 -34.147 -25.359 -33.943
 1015    H    GLU 134           HN       GLU 134 -39.589 -22.728 -33.414
 1016    HA   GLU 134           HA       GLU 134 -40.371 -20.327 -34.668
 1017    HB2  GLU 134           HB2      GLU 134 -41.547 -22.260 -32.753
 1018    HB3  GLU 134           HB1      GLU 134 -42.256 -20.647 -32.691
 1019    HG2  GLU 134           HG2      GLU 134 -43.361 -22.252 -34.312
 1020    HG3  GLU 134           HG1      GLU 134 -42.833 -20.736 -35.031
 1021    H    GLY 135           HN       GLY 135 -39.924 -18.319 -34.176
 1022    HA2  GLY 135           HA2      GLY 135 -38.991 -16.532 -33.011
 1023    HA3  GLY 135           HA1      GLY 135 -40.363 -16.867 -31.958
 1024    H    VAL 136           HN       VAL 136 -39.954 -17.364 -29.930
 1025    HA   VAL 136           HA       VAL 136 -37.192 -17.976 -29.132
 1026    HB   VAL 136           HB       VAL 136 -39.513 -17.296 -27.345
 1027   HG11  VAL 136          HG11      VAL 136 -36.580 -16.785 -26.862
 1028   HG12  VAL 136          HG12      VAL 136 -37.272 -18.369 -26.523
 1029   HG13  VAL 136          HG13      VAL 136 -37.882 -16.947 -25.685
 1030   HG21  VAL 136          HG21      VAL 136 -39.308 -15.441 -28.856
 1031   HG22  VAL 136          HG22      VAL 136 -37.547 -15.488 -28.767
 1032   HG23  VAL 136          HG23      VAL 136 -38.488 -14.976 -27.365
 1033    H    TRP 137           HN       TRP 137 -36.653 -19.800 -28.014
 1034    HA   TRP 137           HA       TRP 137 -38.796 -21.789 -27.540
 1035    HB2  TRP 137           HB2      TRP 137 -37.439 -22.122 -29.692
 1036    HB3  TRP 137           HB1      TRP 137 -36.078 -22.514 -28.644
 1037    HD1  TRP 137           HD1      TRP 137 -36.191 -24.716 -27.246
 1038    HE1  TRP 137           HE1      TRP 137 -37.706 -26.810 -27.399
 1039    HE3  TRP 137           HE3      TRP 137 -39.835 -22.908 -30.295
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.161 -27.576 -28.658
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.750 -24.331 -30.963
 1042    HH2  TRP 137           HH2      TRP 137 -41.913 -26.660 -30.148
 1043    H    ILE 138           HN       ILE 138 -37.932 -23.648 -26.152
 1044    HA   ILE 138           HA       ILE 138 -35.811 -22.842 -24.280
 1045    HB   ILE 138           HB       ILE 138 -38.661 -23.392 -23.402
 1046   HG12  ILE 138          HG12      ILE 138 -36.808 -21.037 -22.899
 1047   HG13  ILE 138          HG11      ILE 138 -38.110 -21.051 -24.087
 1048   HG21  ILE 138          HG21      ILE 138 -36.071 -23.281 -21.822
 1049   HG22  ILE 138          HG22      ILE 138 -37.242 -24.595 -21.869
 1050   HG23  ILE 138          HG23      ILE 138 -37.650 -23.086 -21.068
 1051   HD11  ILE 138          HD11      ILE 138 -38.304 -21.097 -21.087
 1052   HD12  ILE 138          HD12      ILE 138 -39.628 -21.726 -22.069
 1053   HD13  ILE 138          HD13      ILE 138 -39.131 -20.041 -22.228
 1054    H    PHE 139           HN       PHE 139 -34.516 -24.519 -23.943
 1055    HA   PHE 139           HA       PHE 139 -35.616 -27.271 -24.143
 1056    HB2  PHE 139           HB2      PHE 139 -33.105 -25.998 -25.081
 1057    HB3  PHE 139           HB1      PHE 139 -32.829 -27.510 -24.220
 1058    HD1  PHE 139           HD1      PHE 139 -35.848 -26.692 -26.258
 1059    HD2  PHE 139           HD2      PHE 139 -32.167 -28.890 -26.044
 1060    HE1  PHE 139           HE1      PHE 139 -36.520 -27.979 -28.242
 1061    HE2  PHE 139           HE2      PHE 139 -32.839 -30.189 -28.043
 1062    HZ   PHE 139           HZ       PHE 139 -35.012 -29.735 -29.146
 1063    H    TYR 140           HN       TYR 140 -35.662 -28.490 -22.429
 1064    HA   TYR 140           HA       TYR 140 -34.410 -27.438 -19.948
 1065    HB2  TYR 140           HB2      TYR 140 -36.936 -28.930 -20.561
 1066    HB3  TYR 140           HB1      TYR 140 -36.200 -29.159 -18.991
 1067    HD1  TYR 140           HD2      TYR 140 -35.665 -27.068 -17.595
 1068    HD2  TYR 140           HD1      TYR 140 -38.227 -27.014 -21.029
 1069    HE1  TYR 140           HE2      TYR 140 -36.665 -24.942 -16.813
 1070    HE2  TYR 140           HE1      TYR 140 -39.222 -24.886 -20.260
 1071    HH   TYR 140           HH       TYR 140 -39.281 -23.793 -17.457
 1072    H    GLU 141           HN       GLU 141 -32.528 -28.444 -19.575
 1073    HA   GLU 141           HA       GLU 141 -31.590 -30.785 -20.585
 1074    HB2  GLU 141           HB2      GLU 141 -30.308 -29.130 -19.209
 1075    HB3  GLU 141           HB1      GLU 141 -31.030 -29.852 -17.770
 1076    HG2  GLU 141           HG2      GLU 141 -30.088 -32.052 -18.415
 1077    HG3  GLU 141           HG1      GLU 141 -29.354 -31.308 -19.835
 1078    H    LEU 142           HN       LEU 142 -33.993 -30.421 -18.111
 1079    HA   LEU 142           HA       LEU 142 -33.996 -33.358 -17.679
 1080    HB2  LEU 142           HB2      LEU 142 -34.276 -31.077 -15.806
 1081    HB3  LEU 142           HB1      LEU 142 -35.411 -32.379 -15.534
 1082    HG   LEU 142           HG       LEU 142 -33.555 -33.986 -15.402
 1083   HD11  LEU 142          HD11      LEU 142 -31.870 -33.146 -16.812
 1084   HD12  LEU 142          HD12      LEU 142 -31.206 -32.865 -15.206
 1085   HD13  LEU 142          HD13      LEU 142 -31.940 -31.533 -16.100
 1086   HD21  LEU 142          HD21      LEU 142 -32.621 -33.202 -13.279
 1087   HD22  LEU 142          HD22      LEU 142 -34.328 -32.766 -13.370
 1088   HD23  LEU 142          HD23      LEU 142 -33.088 -31.545 -13.660
 1089    HA   PRO 143           HA       PRO 143 -38.091 -33.359 -19.242
 1090    HB2  PRO 143           HB2      PRO 143 -39.237 -35.445 -17.931
 1091    HB3  PRO 143           HB1      PRO 143 -37.940 -35.672 -19.122
 1092    HG2  PRO 143           HG2      PRO 143 -37.796 -35.698 -16.143
 1093    HG3  PRO 143           HG1      PRO 143 -36.949 -36.712 -17.322
 1094    HD2  PRO 143           HD2      PRO 143 -35.811 -34.530 -16.051
 1095    HD3  PRO 143           HD1      PRO 143 -35.251 -35.190 -17.596
 1096    H    ASN 144           HN       ASN 144 -40.406 -33.235 -18.655
 1097    HA   ASN 144           HA       ASN 144 -42.190 -32.397 -17.486
 1098    HB2  ASN 144           HB2      ASN 144 -40.506 -32.207 -14.991
 1099    HB3  ASN 144           HB1      ASN 144 -42.237 -32.508 -15.143
 1100   HD21  ASN 144          HD21      ASN 144 -41.549 -34.468 -17.454
 1101   HD22  ASN 144          HD22      ASN 144 -41.048 -35.867 -16.636
 1102    H    TYR 145           HN       TYR 145 -39.665 -30.806 -18.512
 1103    HA   TYR 145           HA       TYR 145 -39.402 -28.579 -18.962
 1104    HB2  TYR 145           HB2      TYR 145 -41.436 -27.759 -16.912
 1105    HB3  TYR 145           HB1      TYR 145 -41.051 -27.034 -18.470
 1106    HD1  TYR 145           HD2      TYR 145 -41.307 -28.937 -20.497
 1107    HD2  TYR 145           HD1      TYR 145 -43.555 -28.743 -16.837
 1108    HE1  TYR 145           HE2      TYR 145 -43.160 -30.213 -21.561
 1109    HE2  TYR 145           HE1      TYR 145 -45.392 -30.023 -17.905
 1110    HH   TYR 145           HH       TYR 145 -45.988 -30.287 -20.833
 1111    H    ARG 146           HN       ARG 146 -38.179 -30.153 -16.698
 1112    HA   ARG 146           HA       ARG 146 -37.395 -27.933 -14.906
 1113    HB2  ARG 146           HB2      ARG 146 -37.308 -30.930 -14.557
 1114    HB3  ARG 146           HB1      ARG 146 -36.523 -29.799 -13.451
 1115    HG2  ARG 146           HG2      ARG 146 -38.670 -28.706 -13.002
 1116    HG3  ARG 146           HG1      ARG 146 -39.473 -29.768 -14.157
 1117    HD2  ARG 146           HD2      ARG 146 -39.823 -30.599 -11.879
 1118    HD3  ARG 146           HD1      ARG 146 -38.820 -31.728 -12.786
 1119    HE   ARG 146           HE       ARG 146 -37.001 -31.163 -11.423
 1120   HH11  ARG 146          HH21      ARG 146 -39.725 -29.096 -10.883
 1121   HH12  ARG 146          HH22      ARG 146 -39.076 -28.386  -9.442
 1122   HH21  ARG 146          HH11      ARG 146 -36.142 -30.234  -9.539
 1123   HH22  ARG 146          HH12      ARG 146 -37.046 -29.031  -8.681
 1124    H    GLY 147           HN       GLY 147 -35.085 -28.123 -14.113
 1125    HA2  GLY 147           HA2      GLY 147 -32.796 -28.586 -14.545
 1126    HA3  GLY 147           HA1      GLY 147 -33.231 -29.178 -16.140
 1127    H    ARG 148           HN       ARG 148 -31.132 -27.614 -16.065
 1128    HA   ARG 148           HA       ARG 148 -31.375 -24.857 -16.170
 1129    HB2  ARG 148           HB2      ARG 148 -29.686 -26.629 -17.954
 1130    HB3  ARG 148           HB1      ARG 148 -29.419 -24.909 -17.648
 1131    HG2  ARG 148           HG2      ARG 148 -29.112 -25.374 -15.255
 1132    HG3  ARG 148           HG1      ARG 148 -29.391 -27.090 -15.545
 1133    HD2  ARG 148           HD2      ARG 148 -27.437 -27.146 -17.055
 1134    HD3  ARG 148           HD1      ARG 148 -27.150 -25.438 -16.735
 1135    HE   ARG 148           HE       ARG 148 -26.342 -25.998 -14.608
 1136   HH11  ARG 148          HH21      ARG 148 -27.760 -28.708 -16.227
 1137   HH12  ARG 148          HH22      ARG 148 -27.144 -29.876 -15.107
 1138   HH21  ARG 148          HH11      ARG 148 -25.530 -27.522 -13.136
 1139   HH22  ARG 148          HH12      ARG 148 -25.881 -29.204 -13.355
 1140    H    GLN 149           HN       GLN 149 -31.394 -23.469 -18.143
 1141    HA   GLN 149           HA       GLN 149 -33.074 -24.585 -20.309
 1142    HB2  GLN 149           HB2      GLN 149 -33.420 -21.914 -18.941
 1143    HB3  GLN 149           HB1      GLN 149 -34.282 -22.422 -20.390
 1144    HG2  GLN 149           HG2      GLN 149 -35.831 -23.055 -18.782
 1145    HG3  GLN 149           HG1      GLN 149 -34.875 -24.537 -18.861
 1146   HE21  GLN 149          HE21      GLN 149 -36.328 -22.735 -16.612
 1147   HE22  GLN 149          HE22      GLN 149 -35.209 -22.840 -15.335
 1148    H    TYR 150           HN       TYR 150 -32.724 -23.765 -22.338
 1149    HA   TYR 150           HA       TYR 150 -30.329 -22.036 -22.663
 1150    HB2  TYR 150           HB2      TYR 150 -31.228 -24.369 -24.372
 1151    HB3  TYR 150           HB1      TYR 150 -29.895 -23.283 -24.765
 1152    HD1  TYR 150           HD2      TYR 150 -28.180 -22.914 -22.694
 1153    HD2  TYR 150           HD1      TYR 150 -30.665 -26.374 -23.295
 1154    HE1  TYR 150           HE2      TYR 150 -26.663 -24.256 -21.262
 1155    HE2  TYR 150           HE1      TYR 150 -29.135 -27.713 -21.872
 1156    HH   TYR 150           HH       TYR 150 -26.865 -26.363 -19.844
 1157    H    LEU 151           HN       LEU 151 -30.556 -20.279 -23.885
 1158    HA   LEU 151           HA       LEU 151 -32.765 -20.092 -25.816
 1159    HB2  LEU 151           HB2      LEU 151 -33.410 -19.183 -23.459
 1160    HB3  LEU 151           HB1      LEU 151 -32.325 -17.848 -23.849
 1161    HG   LEU 151           HG       LEU 151 -34.664 -18.735 -25.571
 1162   HD11  LEU 151          HD11      LEU 151 -35.548 -16.437 -24.794
 1163   HD12  LEU 151          HD12      LEU 151 -34.341 -16.544 -23.514
 1164   HD13  LEU 151          HD13      LEU 151 -35.615 -17.758 -23.630
 1165   HD21  LEU 151          HD21      LEU 151 -32.555 -16.589 -25.812
 1166   HD22  LEU 151          HD22      LEU 151 -34.153 -16.320 -26.507
 1167   HD23  LEU 151          HD23      LEU 151 -33.176 -17.682 -27.050
 1168    H    LEU 152           HN       LEU 152 -31.457 -19.863 -27.565
 1169    HA   LEU 152           HA       LEU 152 -29.755 -17.453 -27.667
 1170    HB2  LEU 152           HB2      LEU 152 -28.982 -20.269 -28.424
 1171    HB3  LEU 152           HB1      LEU 152 -28.152 -18.865 -29.090
 1172    HG   LEU 152           HG       LEU 152 -28.513 -19.157 -26.100
 1173   HD11  LEU 152          HD11      LEU 152 -26.445 -20.471 -27.869
 1174   HD12  LEU 152          HD12      LEU 152 -27.434 -21.200 -26.607
 1175   HD13  LEU 152          HD13      LEU 152 -26.122 -20.114 -26.171
 1176   HD21  LEU 152          HD21      LEU 152 -26.304 -17.869 -26.193
 1177   HD22  LEU 152          HD22      LEU 152 -27.711 -16.989 -26.777
 1178   HD23  LEU 152          HD23      LEU 152 -26.573 -17.693 -27.925
 1179    H    ASP 153           HN       ASP 153 -29.528 -16.539 -29.730
 1180    HA   ASP 153           HA       ASP 153 -31.822 -16.765 -31.388
 1181    HB2  ASP 153           HB2      ASP 153 -30.285 -14.736 -31.044
 1182    HB3  ASP 153           HB1      ASP 153 -29.216 -15.500 -32.220
 1183    H    LYS 154           HN       LYS 154 -30.135 -16.454 -33.890
 1184    HA   LYS 154           HA       LYS 154 -29.271 -17.743 -35.583
 1185    HB2  LYS 154           HB2      LYS 154 -27.922 -18.753 -33.558
 1186    HB3  LYS 154           HB1      LYS 154 -29.008 -20.127 -33.757
 1187    HG2  LYS 154           HG2      LYS 154 -28.328 -20.376 -36.087
 1188    HG3  LYS 154           HG1      LYS 154 -27.317 -18.936 -35.976
 1189    HD2  LYS 154           HD2      LYS 154 -25.941 -20.030 -34.245
 1190    HD3  LYS 154           HD1      LYS 154 -26.948 -21.475 -34.359
 1191    HE2  LYS 154           HE2      LYS 154 -26.323 -21.732 -36.730
 1192    HE3  LYS 154           HE1      LYS 154 -25.320 -20.285 -36.625
 1193    HZ1  LYS 154           HZ1      LYS 154 -24.788 -22.254 -34.586
 1194    HZ2  LYS 154           HZ2      LYS 154 -23.707 -21.383 -35.566
 1195    HZ3  LYS 154           HZ3      LYS 154 -24.453 -22.789 -36.161
 1196    H    LYS 155           HN       LYS 155 -31.650 -19.140 -33.419
 1197    HA   LYS 155           HA       LYS 155 -33.509 -20.434 -33.794
 1198    HB2  LYS 155           HB2      LYS 155 -33.279 -19.027 -36.450
 1199    HB3  LYS 155           HB1      LYS 155 -34.662 -20.017 -35.992
 1200    HG2  LYS 155           HG2      LYS 155 -34.920 -18.569 -33.945
 1201    HG3  LYS 155           HG1      LYS 155 -33.673 -17.510 -34.607
 1202    HD2  LYS 155           HD2      LYS 155 -36.223 -18.237 -36.078
 1203    HD3  LYS 155           HD1      LYS 155 -36.028 -16.769 -35.124
 1204    HE2  LYS 155           HE2      LYS 155 -33.952 -16.307 -36.584
 1205    HE3  LYS 155           HE1      LYS 155 -34.584 -17.558 -37.656
 1206    HZ1  LYS 155           HZ1      LYS 155 -35.604 -15.753 -38.528
 1207    HZ2  LYS 155           HZ2      LYS 155 -35.657 -14.911 -37.055
 1208    HZ3  LYS 155           HZ3      LYS 155 -36.765 -16.161 -37.359
 1209    H    GLU 156           HN       GLU 156 -30.728 -21.379 -34.674
 1210    HA   GLU 156           HA       GLU 156 -31.671 -23.844 -35.951
 1211    HB2  GLU 156           HB2      GLU 156 -31.001 -22.353 -37.828
 1212    HB3  GLU 156           HB1      GLU 156 -29.391 -22.226 -37.117
 1213    HG2  GLU 156           HG2      GLU 156 -29.080 -24.651 -37.313
 1214    HG3  GLU 156           HG1      GLU 156 -30.716 -24.824 -37.952
 1215    H    TYR 157           HN       TYR 157 -30.601 -25.601 -35.226
 1216    HA   TYR 157           HA       TYR 157 -28.037 -25.209 -33.851
 1217    HB2  TYR 157           HB2      TYR 157 -30.295 -26.869 -32.733
 1218    HB3  TYR 157           HB1      TYR 157 -28.745 -26.548 -31.963
 1219    HD1  TYR 157           HD2      TYR 157 -28.270 -23.706 -32.181
 1220    HD2  TYR 157           HD1      TYR 157 -32.024 -25.740 -31.641
 1221    HE1  TYR 157           HE2      TYR 157 -29.224 -21.676 -31.158
 1222    HE2  TYR 157           HE1      TYR 157 -32.968 -23.692 -30.614
 1223    HH   TYR 157           HH       TYR 157 -30.956 -20.863 -29.956
 1224    H    ARG 158           HN       ARG 158 -26.612 -26.366 -34.923
 1225    HA   ARG 158           HA       ARG 158 -27.432 -28.946 -36.089
 1226    HB2  ARG 158           HB2      ARG 158 -25.568 -28.717 -37.589
 1227    HB3  ARG 158           HB1      ARG 158 -26.470 -27.203 -37.593
 1228    HG2  ARG 158           HG2      ARG 158 -24.859 -26.279 -35.928
 1229    HG3  ARG 158           HG1      ARG 158 -23.919 -27.766 -36.053
 1230    HD2  ARG 158           HD2      ARG 158 -24.578 -25.988 -38.406
 1231    HD3  ARG 158           HD1      ARG 158 -23.061 -25.925 -37.511
 1232    HE   ARG 158           HE       ARG 158 -23.513 -28.588 -38.314
 1233   HH11  ARG 158          HH21      ARG 158 -22.827 -25.455 -39.599
 1234   HH12  ARG 158          HH22      ARG 158 -21.992 -26.054 -40.992
 1235   HH21  ARG 158          HH11      ARG 158 -22.423 -29.388 -40.141
 1236   HH22  ARG 158          HH12      ARG 158 -21.762 -28.283 -41.301
 1237    H    LYS 159           HN       LYS 159 -25.243 -27.483 -33.790
 1238    HA   LYS 159           HA       LYS 159 -24.086 -30.149 -33.214
 1239    HB2  LYS 159           HB2      LYS 159 -22.223 -28.652 -32.118
 1240    HB3  LYS 159           HB1      LYS 159 -22.238 -28.859 -33.871
 1241    HG2  LYS 159           HG2      LYS 159 -23.548 -26.700 -34.024
 1242    HG3  LYS 159           HG1      LYS 159 -23.341 -26.552 -32.286
 1243    HD2  LYS 159           HD2      LYS 159 -20.938 -26.505 -32.517
 1244    HD3  LYS 159           HD1      LYS 159 -21.076 -26.707 -34.263
 1245    HE2  LYS 159           HE2      LYS 159 -22.434 -24.575 -34.319
 1246    HE3  LYS 159           HE1      LYS 159 -22.065 -24.360 -32.610
 1247    HZ1  LYS 159           HZ1      LYS 159 -20.138 -23.469 -33.173
 1248    HZ2  LYS 159           HZ2      LYS 159 -20.491 -23.682 -34.822
 1249    HZ3  LYS 159           HZ3      LYS 159 -19.679 -24.900 -33.960
 1250    HA   PRO 160           HA       PRO 160 -25.822 -30.073 -29.220
 1251    HB2  PRO 160           HB2      PRO 160 -23.620 -30.835 -27.644
 1252    HB3  PRO 160           HB1      PRO 160 -24.746 -31.911 -28.470
 1253    HG2  PRO 160           HG2      PRO 160 -22.055 -31.023 -29.310
 1254    HG3  PRO 160           HG1      PRO 160 -22.853 -32.582 -29.568
 1255    HD2  PRO 160           HD2      PRO 160 -22.611 -30.768 -31.548
 1256    HD3  PRO 160           HD1      PRO 160 -24.019 -31.828 -31.426
 1257    H    ILE 161           HN       ILE 161 -23.072 -28.109 -29.862
 1258    HA   ILE 161           HA       ILE 161 -23.473 -26.610 -27.353
 1259    HB   ILE 161           HB       ILE 161 -21.294 -26.325 -29.428
 1260   HG12  ILE 161          HG12      ILE 161 -20.117 -27.523 -27.246
 1261   HG13  ILE 161          HG11      ILE 161 -21.700 -28.295 -27.213
 1262   HG21  ILE 161          HG21      ILE 161 -21.761 -25.225 -26.654
 1263   HG22  ILE 161          HG22      ILE 161 -21.334 -24.361 -28.133
 1264   HG23  ILE 161          HG23      ILE 161 -20.134 -25.362 -27.321
 1265   HD11  ILE 161          HD11      ILE 161 -21.364 -28.793 -29.689
 1266   HD12  ILE 161          HD12      ILE 161 -20.299 -29.666 -28.585
 1267   HD13  ILE 161          HD13      ILE 161 -19.694 -28.271 -29.480
 1268    H    ASP 162           HN       ASP 162 -24.562 -26.643 -30.443
 1269    HA   ASP 162           HA       ASP 162 -24.349 -23.963 -31.249
 1270    HB2  ASP 162           HB2      ASP 162 -25.321 -26.153 -32.507
 1271    HB3  ASP 162           HB1      ASP 162 -26.821 -25.453 -31.977
 1272    H    TRP 163           HN       TRP 163 -26.482 -25.564 -28.964
 1273    HA   TRP 163           HA       TRP 163 -28.085 -23.092 -28.707
 1274    HB2  TRP 163           HB2      TRP 163 -29.537 -24.706 -27.263
 1275    HB3  TRP 163           HB1      TRP 163 -29.593 -24.856 -29.018
 1276    HD1  TRP 163           HD1      TRP 163 -27.096 -26.237 -26.413
 1277    HE1  TRP 163           HE1      TRP 163 -26.817 -28.752 -26.829
 1278    HE3  TRP 163           HE3      TRP 163 -30.362 -26.890 -30.274
 1279    HZ2  TRP 163           HZ2      TRP 163 -27.804 -30.752 -28.526
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.635 -29.140 -31.290
 1281    HH2  TRP 163           HH2      TRP 163 -29.325 -31.061 -30.408
 1282    H    GLY 164           HN       GLY 164 -25.307 -23.726 -27.648
 1283    HA2  GLY 164           HA2      GLY 164 -24.130 -23.073 -25.785
 1284    HA3  GLY 164           HA1      GLY 164 -25.636 -22.436 -25.142
 1285    H    ALA 165           HN       ALA 165 -25.278 -25.864 -25.968
 1286    HA   ALA 165           HA       ALA 165 -25.399 -26.466 -23.046
 1287    HB1  ALA 165           HB1      ALA 165 -26.184 -28.271 -25.324
 1288    HB2  ALA 165           HB2      ALA 165 -27.328 -27.292 -24.407
 1289    HB3  ALA 165           HB3      ALA 165 -26.413 -28.572 -23.605
 1290    H    ALA 166           HN       ALA 166 -23.884 -27.703 -22.157
 1291    HA   ALA 166           HA       ALA 166 -21.431 -28.098 -23.592
 1292    HB1  ALA 166           HB1      ALA 166 -22.181 -29.158 -20.856
 1293    HB2  ALA 166           HB2      ALA 166 -21.588 -27.521 -21.142
 1294    HB3  ALA 166           HB3      ALA 166 -20.557 -28.906 -21.497
 1295    H    SER 167           HN       SER 167 -24.062 -29.631 -24.250
 1296    HA   SER 167           HA       SER 167 -22.897 -31.926 -25.268
 1297    HB2  SER 167           HB2      SER 167 -23.611 -32.117 -22.409
 1298    HB3  SER 167           HB1      SER 167 -24.163 -33.464 -23.400
 1299    HG   SER 167           HG       SER 167 -22.051 -33.777 -24.091
 1300    HA   PRO 168           HA       PRO 168 -27.017 -32.250 -26.953
 1301    HB2  PRO 168           HB2      PRO 168 -27.031 -34.809 -27.909
 1302    HB3  PRO 168           HB1      PRO 168 -26.076 -33.529 -28.662
 1303    HG2  PRO 168           HG2      PRO 168 -25.206 -35.660 -26.786
 1304    HG3  PRO 168           HG1      PRO 168 -24.377 -35.023 -28.212
 1305    HD2  PRO 168           HD2      PRO 168 -23.726 -34.288 -25.636
 1306    HD3  PRO 168           HD1      PRO 168 -23.469 -33.237 -27.043
 1307    H    ALA 169           HN       ALA 169 -26.189 -33.632 -24.103
 1308    HA   ALA 169           HA       ALA 169 -28.343 -35.526 -23.789
 1309    HB1  ALA 169           HB1      ALA 169 -26.163 -35.771 -22.624
 1310    HB2  ALA 169           HB2      ALA 169 -27.521 -35.714 -21.501
 1311    HB3  ALA 169           HB3      ALA 169 -26.501 -34.291 -21.728
 1312    H    VAL 170           HN       VAL 170 -29.922 -33.790 -24.515
 1313    HA   VAL 170           HA       VAL 170 -30.650 -31.949 -22.342
 1314    HB   VAL 170           HB       VAL 170 -31.994 -32.156 -25.030
 1315   HG11  VAL 170          HG11      VAL 170 -32.494 -30.580 -22.753
 1316   HG12  VAL 170          HG12      VAL 170 -33.066 -30.238 -24.382
 1317   HG13  VAL 170          HG13      VAL 170 -31.576 -29.501 -23.802
 1318   HG21  VAL 170          HG21      VAL 170 -29.618 -31.965 -25.497
 1319   HG22  VAL 170          HG22      VAL 170 -29.449 -30.674 -24.306
 1320   HG23  VAL 170          HG23      VAL 170 -30.374 -30.398 -25.780
 1321    H    GLN 171           HN       GLN 171 -33.442 -31.967 -23.396
 1322    HA   GLN 171           HA       GLN 171 -34.433 -34.605 -22.928
 1323    HB2  GLN 171           HB2      GLN 171 -33.853 -33.423 -20.605
 1324    HB3  GLN 171           HB1      GLN 171 -35.433 -32.693 -20.849
 1325    HG2  GLN 171           HG2      GLN 171 -35.936 -34.658 -19.699
 1326    HG3  GLN 171           HG1      GLN 171 -36.235 -35.108 -21.370
 1327   HE21  GLN 171          HE21      GLN 171 -34.404 -36.321 -22.480
 1328   HE22  GLN 171          HE22      GLN 171 -33.387 -37.294 -21.529
 1329    H    SER 172           HN       SER 172 -36.890 -32.929 -21.734
 1330    HA   SER 172           HA       SER 172 -38.107 -32.638 -24.373
 1331    HB2  SER 172           HB2      SER 172 -38.976 -33.806 -22.150
 1332    HB3  SER 172           HB1      SER 172 -39.669 -32.205 -21.898
 1333    HG   SER 172           HG       SER 172 -39.908 -33.080 -24.468
 1334    H    PHE 173           HN       PHE 173 -40.158 -30.814 -23.474
 1335    HA   PHE 173           HA       PHE 173 -38.968 -28.344 -22.770
 1336    HB2  PHE 173           HB2      PHE 173 -39.213 -27.247 -25.009
 1337    HB3  PHE 173           HB1      PHE 173 -37.909 -28.437 -24.920
 1338    HD1  PHE 173           HD1      PHE 173 -41.440 -27.947 -25.999
 1339    HD2  PHE 173           HD2      PHE 173 -37.906 -30.371 -26.288
 1340    HE1  PHE 173           HE1      PHE 173 -42.470 -29.235 -27.850
 1341    HE2  PHE 173           HE2      PHE 173 -38.937 -31.658 -28.135
 1342    HZ   PHE 173           HZ       PHE 173 -41.224 -31.093 -28.915
 1343    H    ARG 174           HN       ARG 174 -40.512 -26.493 -23.776
 1344    HA   ARG 174           HA       ARG 174 -43.261 -27.286 -23.976
 1345    HB2  ARG 174           HB2      ARG 174 -43.925 -25.941 -21.922
 1346    HB3  ARG 174           HB1      ARG 174 -43.218 -27.528 -21.638
 1347    HG2  ARG 174           HG2      ARG 174 -41.162 -26.649 -20.928
 1348    HG3  ARG 174           HG1      ARG 174 -41.431 -25.098 -21.725
 1349    HD2  ARG 174           HD2      ARG 174 -43.009 -26.102 -19.343
 1350    HD3  ARG 174           HD1      ARG 174 -41.665 -24.964 -19.253
 1351    HE   ARG 174           HE       ARG 174 -43.517 -23.950 -21.095
 1352   HH11  ARG 174          HH21      ARG 174 -43.226 -24.697 -17.730
 1353   HH12  ARG 174          HH22      ARG 174 -44.336 -23.470 -17.218
 1354   HH21  ARG 174          HH11      ARG 174 -44.975 -22.336 -20.430
 1355   HH22  ARG 174          HH12      ARG 174 -45.326 -22.133 -18.746
 1356    H    ARG 175           HN       ARG 175 -44.368 -25.805 -25.071
 1357    HA   ARG 175           HA       ARG 175 -43.185 -23.593 -26.251
 1358    HB2  ARG 175           HB2      ARG 175 -45.403 -22.949 -26.932
 1359    HB3  ARG 175           HB1      ARG 175 -45.296 -24.707 -26.987
 1360    HG2  ARG 175           HG2      ARG 175 -46.243 -24.686 -24.605
 1361    HG3  ARG 175           HG1      ARG 175 -46.647 -22.997 -24.904
 1362    HD2  ARG 175           HD2      ARG 175 -47.552 -25.343 -26.587
 1363    HD3  ARG 175           HD1      ARG 175 -48.551 -24.470 -25.430
 1364    HE   ARG 175           HE       ARG 175 -47.792 -23.582 -28.081
 1365   HH11  ARG 175          HH21      ARG 175 -48.851 -22.707 -24.907
 1366   HH12  ARG 175          HH22      ARG 175 -49.582 -21.219 -25.406
 1367   HH21  ARG 175          HH11      ARG 175 -48.753 -21.629 -28.750
 1368   HH22  ARG 175          HH12      ARG 175 -49.525 -20.607 -27.584
 1369    H    ILE 176           HN       ILE 176 -42.739 -21.622 -25.660
 1370    HA   ILE 176           HA       ILE 176 -42.952 -20.773 -22.971
 1371    HB   ILE 176           HB       ILE 176 -42.587 -18.950 -25.354
 1372   HG12  ILE 176          HG12      ILE 176 -40.586 -20.719 -23.922
 1373   HG13  ILE 176          HG11      ILE 176 -41.047 -20.815 -25.620
 1374   HG21  ILE 176          HG21      ILE 176 -41.443 -17.539 -23.805
 1375   HG22  ILE 176          HG22      ILE 176 -41.358 -18.815 -22.591
 1376   HG23  ILE 176          HG23      ILE 176 -42.905 -18.056 -22.965
 1377   HD11  ILE 176          HD11      ILE 176 -40.266 -18.175 -25.392
 1378   HD12  ILE 176          HD12      ILE 176 -39.246 -19.484 -25.980
 1379   HD13  ILE 176          HD13      ILE 176 -39.154 -18.986 -24.296
 1380    H    VAL 177           HN       VAL 177 -44.426 -19.503 -21.925
 1381    HA   VAL 177           HA       VAL 177 -46.675 -18.378 -23.466
 1382    HB   VAL 177           HB       VAL 177 -48.251 -19.272 -21.746
 1383   HG11  VAL 177          HG11      VAL 177 -46.626 -21.327 -23.275
 1384   HG12  VAL 177          HG12      VAL 177 -47.982 -20.399 -23.916
 1385   HG13  VAL 177          HG13      VAL 177 -48.250 -21.586 -22.639
 1386   HG21  VAL 177          HG21      VAL 177 -47.400 -21.222 -20.396
 1387   HG22  VAL 177          HG22      VAL 177 -46.697 -19.675 -19.922
 1388   HG23  VAL 177          HG23      VAL 177 -45.767 -20.800 -20.909
 1389    H    GLU 178           HN       GLU 178 -47.893 -16.818 -22.283
 1390    HA   GLU 178           HA       GLU 178 -46.581 -15.683 -19.885
 1391    HB2  GLU 178           HB2      GLU 178 -45.778 -14.530 -21.996
 1392    HB3  GLU 178           HB1      GLU 178 -47.438 -13.981 -22.217
 1393    HG2  GLU 178           HG2      GLU 178 -47.389 -12.893 -20.017
 1394    HG3  GLU 178           HG1      GLU 178 -45.741 -13.463 -19.783
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1 -47.378  -0.571 -26.538
    2    H2   GLY   1           HT2      GLY   1 -45.703  -0.360 -26.736
    3    H3   GLY   1           HT3      GLY   1 -46.654   0.903 -26.113
    4    HA2  GLY   1           HA2      GLY   1 -47.183  -1.156 -24.417
    5    HA3  GLY   1           HA1      GLY   1 -45.461  -1.322 -24.763
    6    H    SER   2           HN       SER   2 -47.553   1.555 -24.545
    7    HA   SER   2           HA       SER   2 -47.205   3.565 -23.470
    8    HB2  SER   2           HB2      SER   2 -46.694   3.199 -20.971
    9    HB3  SER   2           HB1      SER   2 -48.177   2.509 -21.618
   10    HG   SER   2           HG       SER   2 -45.707   1.214 -21.099
   11    H    LYS   3           HN       LYS   3 -45.285   3.732 -24.937
   12    HA   LYS   3           HA       LYS   3 -43.169   4.549 -25.282
   13    HB2  LYS   3           HB2      LYS   3 -42.847   4.633 -22.280
   14    HB3  LYS   3           HB1      LYS   3 -42.006   5.604 -23.490
   15    HG2  LYS   3           HG2      LYS   3 -44.277   6.532 -24.159
   16    HG3  LYS   3           HG1      LYS   3 -44.931   5.753 -22.721
   17    HD2  LYS   3           HD2      LYS   3 -42.629   7.724 -22.666
   18    HD3  LYS   3           HD1      LYS   3 -44.308   8.169 -22.376
   19    HE2  LYS   3           HE2      LYS   3 -44.325   6.388 -20.543
   20    HE3  LYS   3           HE1      LYS   3 -42.572   6.323 -20.724
   21    HZ1  LYS   3           HZ1      LYS   3 -44.057   8.836 -20.220
   22    HZ2  LYS   3           HZ2      LYS   3 -42.378   8.587 -20.141
   23    HZ3  LYS   3           HZ3      LYS   3 -43.401   7.882 -18.982
   24    H    THR   4           HN       THR   4 -43.065   2.429 -22.397
   25    HA   THR   4           HA       THR   4 -40.693   1.073 -23.491
   26    HB   THR   4           HB       THR   4 -40.474   1.803 -21.206
   27    HG1  THR   4           HG1      THR   4 -39.553  -0.168 -21.567
   28   HG21  THR   4          HG21      THR   4 -42.066   0.742 -19.482
   29   HG22  THR   4          HG22      THR   4 -43.128   0.415 -20.849
   30   HG23  THR   4          HG23      THR   4 -42.695   2.074 -20.447
   31    H    GLY   5           HN       GLY   5 -41.747  -1.155 -21.506
   32    HA2  GLY   5           HA2      GLY   5 -44.001  -2.370 -22.628
   33    HA3  GLY   5           HA1      GLY   5 -42.584  -2.971 -23.487
   34    H    THR   6           HN       THR   6 -41.068  -4.252 -22.399
   35    HA   THR   6           HA       THR   6 -42.130  -5.717 -20.128
   36    HB   THR   6           HB       THR   6 -40.252  -7.191 -20.480
   37    HG1  THR   6           HG1      THR   6 -39.253  -5.434 -22.439
   38   HG21  THR   6          HG21      THR   6 -40.606  -7.804 -22.794
   39   HG22  THR   6          HG22      THR   6 -41.162  -6.175 -23.183
   40   HG23  THR   6          HG23      THR   6 -42.136  -7.214 -22.143
   41    H    LYS   7           HN       LYS   7 -40.811  -6.113 -18.224
   42    HA   LYS   7           HA       LYS   7 -38.649  -4.354 -17.539
   43    HB2  LYS   7           HB2      LYS   7 -40.184  -2.651 -17.111
   44    HB3  LYS   7           HB1      LYS   7 -41.407  -3.772 -16.522
   45    HG2  LYS   7           HG2      LYS   7 -40.283  -4.093 -14.455
   46    HG3  LYS   7           HG1      LYS   7 -38.792  -3.361 -15.062
   47    HD2  LYS   7           HD2      LYS   7 -39.731  -1.185 -15.049
   48    HD3  LYS   7           HD1      LYS   7 -41.368  -1.806 -14.871
   49    HE2  LYS   7           HE2      LYS   7 -41.053  -2.357 -12.617
   50    HE3  LYS   7           HE1      LYS   7 -39.301  -2.411 -12.758
   51    HZ1  LYS   7           HZ1      LYS   7 -40.102  -0.424 -11.598
   52    HZ2  LYS   7           HZ2      LYS   7 -40.949   0.047 -12.994
   53    HZ3  LYS   7           HZ3      LYS   7 -39.252  -0.037 -13.015
   54    H    ILE   8           HN       ILE   8 -37.688  -4.832 -15.498
   55    HA   ILE   8           HA       ILE   8 -38.769  -7.068 -13.977
   56    HB   ILE   8           HB       ILE   8 -37.451  -8.142 -15.773
   57   HG12  ILE   8          HG12      ILE   8 -35.981  -8.433 -13.146
   58   HG13  ILE   8          HG11      ILE   8 -37.642  -8.997 -13.336
   59   HG21  ILE   8          HG21      ILE   8 -34.946  -7.929 -15.572
   60   HG22  ILE   8          HG22      ILE   8 -35.196  -6.515 -14.566
   61   HG23  ILE   8          HG23      ILE   8 -35.750  -6.514 -16.238
   62   HD11  ILE   8          HD11      ILE   8 -35.624 -10.632 -13.816
   63   HD12  ILE   8          HD12      ILE   8 -35.594  -9.817 -15.380
   64   HD13  ILE   8          HD13      ILE   8 -37.051 -10.659 -14.850
   65    H    THR   9           HN       THR   9 -38.073  -7.214 -11.884
   66    HA   THR   9           HA       THR   9 -36.145  -5.175 -11.008
   67    HB   THR   9           HB       THR   9 -38.629  -5.935  -9.492
   68    HG1  THR   9           HG1      THR   9 -38.089  -3.800 -11.257
   69   HG21  THR   9          HG21      THR   9 -36.451  -4.886  -8.411
   70   HG22  THR   9          HG22      THR   9 -38.039  -4.256  -7.976
   71   HG23  THR   9          HG23      THR   9 -37.050  -3.405  -9.160
   72    H    PHE  10           HN       PHE  10 -34.711  -5.752  -9.484
   73    HA   PHE  10           HA       PHE  10 -34.818  -8.535  -8.483
   74    HB2  PHE  10           HB2      PHE  10 -32.371  -6.902  -9.165
   75    HB3  PHE  10           HB1      PHE  10 -32.396  -8.581  -8.629
   76    HD1  PHE  10           HD2      PHE  10 -33.474 -10.330 -10.101
   77    HD2  PHE  10           HD1      PHE  10 -32.767  -6.313 -11.441
   78    HE1  PHE  10           HE2      PHE  10 -33.763 -11.065 -12.454
   79    HE2  PHE  10           HE1      PHE  10 -33.052  -7.046 -13.792
   80    HZ   PHE  10           HZ       PHE  10 -33.555  -9.418 -14.300
   81    H    TYR  11           HN       TYR  11 -35.153  -8.572  -6.358
   82    HA   TYR  11           HA       TYR  11 -34.377  -6.273  -4.724
   83    HB2  TYR  11           HB2      TYR  11 -36.139  -8.653  -4.190
   84    HB3  TYR  11           HB1      TYR  11 -35.770  -7.404  -3.007
   85    HD1  TYR  11           HD1      TYR  11 -37.233  -7.925  -6.412
   86    HD2  TYR  11           HD2      TYR  11 -36.954  -5.359  -2.989
   87    HE1  TYR  11           HE1      TYR  11 -39.036  -6.501  -7.321
   88    HE2  TYR  11           HE2      TYR  11 -38.733  -3.917  -3.918
   89    HH   TYR  11           HH       TYR  11 -40.432  -3.871  -5.468
   90    H    GLU  12           HN       GLU  12 -32.817  -6.323  -3.294
   91    HA   GLU  12           HA       GLU  12 -30.825  -8.271  -3.389
   92    HB2  GLU  12           HB2      GLU  12 -30.963  -5.771  -2.469
   93    HB3  GLU  12           HB1      GLU  12 -31.101  -6.605  -0.926
   94    HG2  GLU  12           HG2      GLU  12 -28.897  -7.210  -2.916
   95    HG3  GLU  12           HG1      GLU  12 -28.756  -5.957  -1.693
   96    H    ASP  13           HN       ASP  13 -33.414  -7.761  -1.027
   97    HA   ASP  13           HA       ASP  13 -32.796 -10.391   0.162
   98    HB2  ASP  13           HB2      ASP  13 -34.225  -7.969   1.217
   99    HB3  ASP  13           HB1      ASP  13 -34.341  -9.540   2.001
  100    H    LYS  14           HN       LYS  14 -35.093 -11.120   1.244
  101    HA   LYS  14           HA       LYS  14 -36.657 -11.887  -1.065
  102    HB2  LYS  14           HB2      LYS  14 -36.664 -12.649   1.842
  103    HB3  LYS  14           HB1      LYS  14 -37.933 -13.193   0.745
  104    HG2  LYS  14           HG2      LYS  14 -36.346 -14.294  -0.683
  105    HG3  LYS  14           HG1      LYS  14 -34.983 -13.595   0.188
  106    HD2  LYS  14           HD2      LYS  14 -36.981 -15.276   1.696
  107    HD3  LYS  14           HD1      LYS  14 -35.766 -16.076   0.703
  108    HE2  LYS  14           HE2      LYS  14 -33.980 -14.892   1.916
  109    HE3  LYS  14           HE1      LYS  14 -35.187 -14.069   2.904
  110    HZ1  LYS  14           HZ1      LYS  14 -35.621 -16.869   2.892
  111    HZ2  LYS  14           HZ2      LYS  14 -35.363 -15.827   4.210
  112    HZ3  LYS  14           HZ3      LYS  14 -34.040 -16.517   3.395
  113    H    ASN  15           HN       ASN  15 -39.128 -12.138  -0.407
  114    HA   ASN  15           HA       ASN  15 -41.103 -10.992  -0.437
  115    HB2  ASN  15           HB2      ASN  15 -40.082  -9.417   1.916
  116    HB3  ASN  15           HB1      ASN  15 -41.686 -10.086   1.626
  117   HD21  ASN  15          HD21      ASN  15 -40.392 -12.713   0.737
  118   HD22  ASN  15          HD22      ASN  15 -39.937 -13.458   2.197
  119    H    PHE  16           HN       PHE  16 -38.644  -9.707  -1.698
  120    HA   PHE  16           HA       PHE  16 -38.281  -7.876  -2.968
  121    HB2  PHE  16           HB2      PHE  16 -40.934  -6.718  -2.179
  122    HB3  PHE  16           HB1      PHE  16 -40.077  -6.570  -3.710
  123    HD1  PHE  16           HD2      PHE  16 -39.667  -8.728  -5.063
  124    HD2  PHE  16           HD1      PHE  16 -42.577  -8.393  -1.925
  125    HE1  PHE  16           HE2      PHE  16 -40.864 -10.712  -5.952
  126    HE2  PHE  16           HE1      PHE  16 -43.754 -10.378  -2.800
  127    HZ   PHE  16           HZ       PHE  16 -42.899 -11.536  -4.809
  128    H    GLN  17           HN       GLN  17 -37.288  -7.861  -0.314
  129    HA   GLN  17           HA       GLN  17 -37.446  -4.965   0.354
  130    HB2  GLN  17           HB2      GLN  17 -37.343  -5.445   2.657
  131    HB3  GLN  17           HB1      GLN  17 -38.497  -6.614   2.019
  132    HG2  GLN  17           HG2      GLN  17 -36.431  -8.172   1.764
  133    HG3  GLN  17           HG1      GLN  17 -35.641  -7.062   2.874
  134   HE21  GLN  17          HE21      GLN  17 -37.996  -9.619   2.591
  135   HE22  GLN  17          HE22      GLN  17 -38.376  -9.719   4.247
  136    H    GLY  18           HN       GLY  18 -35.454  -4.795   2.182
  137    HA2  GLY  18           HA2      GLY  18 -33.173  -4.620   2.491
  138    HA3  GLY  18           HA1      GLY  18 -32.982  -5.994   1.414
  139    H    ARG  19           HN       ARG  19 -34.516  -4.471  -0.637
  140    HA   ARG  19           HA       ARG  19 -33.600  -2.087  -1.546
  141    HB2  ARG  19           HB2      ARG  19 -31.293  -3.793  -1.498
  142    HB3  ARG  19           HB1      ARG  19 -31.702  -3.568  -3.185
  143    HG2  ARG  19           HG2      ARG  19 -31.761  -1.103  -2.792
  144    HG3  ARG  19           HG1      ARG  19 -31.195  -1.395  -1.145
  145    HD2  ARG  19           HD2      ARG  19 -29.766  -2.319  -3.640
  146    HD3  ARG  19           HD1      ARG  19 -29.323  -0.899  -2.694
  147    HE   ARG  19           HE       ARG  19 -29.403  -3.037  -0.915
  148   HH11  ARG  19          HH21      ARG  19 -27.771  -2.123  -3.806
  149   HH12  ARG  19          HH22      ARG  19 -26.297  -2.942  -3.409
  150   HH21  ARG  19          HH11      ARG  19 -27.486  -4.130  -0.370
  151   HH22  ARG  19          HH12      ARG  19 -26.136  -4.081  -1.454
  152    H    ARG  20           HN       ARG  20 -33.114  -2.212  -4.217
  153    HA   ARG  20           HA       ARG  20 -34.436  -4.266  -5.568
  154    HB2  ARG  20           HB2      ARG  20 -36.476  -3.212  -6.228
  155    HB3  ARG  20           HB1      ARG  20 -36.395  -3.142  -4.470
  156    HG2  ARG  20           HG2      ARG  20 -36.782  -0.897  -4.688
  157    HG3  ARG  20           HG1      ARG  20 -35.095  -0.787  -5.195
  158    HD2  ARG  20           HD2      ARG  20 -35.917  -1.258  -7.566
  159    HD3  ARG  20           HD1      ARG  20 -37.546  -1.004  -6.950
  160    HE   ARG  20           HE       ARG  20 -37.080   1.288  -6.744
  161   HH11  ARG  20          HH21      ARG  20 -34.242  -0.555  -7.466
  162   HH12  ARG  20          HH22      ARG  20 -33.263   0.828  -7.820
  163   HH21  ARG  20          HH11      ARG  20 -35.796   3.112  -7.202
  164   HH22  ARG  20          HH12      ARG  20 -34.142   2.902  -7.672
  165    H    TYR  21           HN       TYR  21 -34.503  -3.839  -7.893
  166    HA   TYR  21           HA       TYR  21 -33.074  -1.416  -8.761
  167    HB2  TYR  21           HB2      TYR  21 -31.423  -3.309  -8.528
  168    HB3  TYR  21           HB1      TYR  21 -32.355  -4.182  -9.743
  169    HD1  TYR  21           HD1      TYR  21 -30.751  -0.895  -9.116
  170    HD2  TYR  21           HD2      TYR  21 -31.903  -3.814 -12.041
  171    HE1  TYR  21           HE1      TYR  21 -29.569   0.400 -10.861
  172    HE2  TYR  21           HE2      TYR  21 -30.732  -2.513 -13.800
  173    HH   TYR  21           HH       TYR  21 -28.501  -0.553 -13.444
  174    H    ASP  22           HN       ASP  22 -33.918  -0.595 -10.631
  175    HA   ASP  22           HA       ASP  22 -36.139  -2.111 -11.862
  176    HB2  ASP  22           HB2      ASP  22 -35.402   0.810 -11.829
  177    HB3  ASP  22           HB1      ASP  22 -36.635   0.155 -12.907
  178    H    CYS  23           HN       CYS  23 -36.295  -2.329 -14.147
  179    HA   CYS  23           HA       CYS  23 -34.253  -1.362 -15.877
  180    HB2  CYS  23           HB2      CYS  23 -33.923  -4.150 -16.338
  181    HB3  CYS  23           HB1      CYS  23 -32.726  -3.027 -15.704
  182    HG   CYS  23           HG       CYS  23 -32.913  -4.231 -13.554
  183    H    ASP  24           HN       ASP  24 -35.207  -0.997 -17.724
  184    HA   ASP  24           HA       ASP  24 -37.350  -2.813 -18.641
  185    HB2  ASP  24           HB2      ASP  24 -38.665  -1.002 -19.378
  186    HB3  ASP  24           HB1      ASP  24 -38.125  -0.543 -17.769
  187    H    CYS  25           HN       CYS  25 -34.312  -2.220 -19.206
  188    HA   CYS  25           HA       CYS  25 -34.576  -2.648 -22.100
  189    HB2  CYS  25           HB2      CYS  25 -33.093  -0.329 -20.862
  190    HB3  CYS  25           HB1      CYS  25 -32.735  -0.927 -22.483
  191    HG   CYS  25           HG       CYS  25 -34.950  -0.065 -23.321
  192    H    ASP  26           HN       ASP  26 -32.878  -3.795 -22.997
  193    HA   ASP  26           HA       ASP  26 -31.528  -5.681 -21.624
  194    HB2  ASP  26           HB2      ASP  26 -29.882  -5.748 -23.445
  195    HB3  ASP  26           HB1      ASP  26 -31.514  -5.527 -24.074
  196    H    CYS  27           HN       CYS  27 -29.326  -5.939 -20.893
  197    HA   CYS  27           HA       CYS  27 -27.732  -3.581 -20.357
  198    HB2  CYS  27           HB2      CYS  27 -29.420  -4.866 -18.252
  199    HB3  CYS  27           HB1      CYS  27 -27.802  -4.339 -17.787
  200    HG   CYS  27           HG       CYS  27 -30.067  -2.497 -18.000
  201    H    ALA  28           HN       ALA  28 -25.682  -4.159 -19.237
  202    HA   ALA  28           HA       ALA  28 -24.762  -6.792 -20.165
  203    HB1  ALA  28           HB1      ALA  28 -22.514  -5.893 -19.782
  204    HB2  ALA  28           HB2      ALA  28 -23.206  -4.432 -19.076
  205    HB3  ALA  28           HB3      ALA  28 -23.459  -4.792 -20.785
  206    H    ASP  29           HN       ASP  29 -24.388  -4.773 -17.258
  207    HA   ASP  29           HA       ASP  29 -24.761  -7.098 -15.530
  208    HB2  ASP  29           HB2      ASP  29 -22.632  -6.828 -14.370
  209    HB3  ASP  29           HB1      ASP  29 -22.354  -7.169 -16.077
  210    H    PHE  30           HN       PHE  30 -26.325  -6.285 -14.299
  211    HA   PHE  30           HA       PHE  30 -26.129  -3.534 -13.270
  212    HB2  PHE  30           HB2      PHE  30 -28.424  -3.546 -13.036
  213    HB3  PHE  30           HB1      PHE  30 -28.280  -4.760 -14.304
  214    HD1  PHE  30           HD2      PHE  30 -28.190  -7.212 -13.624
  215    HD2  PHE  30           HD1      PHE  30 -29.316  -4.095 -10.913
  216    HE1  PHE  30           HE2      PHE  30 -29.256  -8.893 -12.143
  217    HE2  PHE  30           HE1      PHE  30 -30.397  -5.753  -9.430
  218    HZ   PHE  30           HZ       PHE  30 -30.363  -8.162 -10.046
  219    H    HIS  31           HN       HIS  31 -24.802  -6.278 -12.410
  220    HA   HIS  31           HA       HIS  31 -25.597  -6.836  -9.776
  221    HB2  HIS  31           HB2      HIS  31 -24.089  -8.308 -11.051
  222    HB3  HIS  31           HB1      HIS  31 -22.828  -7.072 -10.977
  223    HD2  HIS  31           HD2      HIS  31 -21.584  -6.791  -8.431
  224    HE1  HIS  31           HE1      HIS  31 -23.663  -9.953  -6.561
  225    HE2  HIS  31           HE2      HIS  31 -21.757  -8.295  -6.305
  226    H    THR  32           HN       THR  32 -23.685  -4.299 -11.127
  227    HA   THR  32           HA       THR  32 -22.344  -3.463  -8.785
  228    HB   THR  32           HB       THR  32 -22.158  -1.250  -9.918
  229    HG1  THR  32           HG1      THR  32 -23.408  -0.803 -11.544
  230   HG21  THR  32          HG21      THR  32 -21.597  -3.784 -11.463
  231   HG22  THR  32          HG22      THR  32 -20.483  -2.849 -10.465
  232   HG23  THR  32          HG23      THR  32 -21.037  -2.203 -12.010
  233    H    TYR  33           HN       TYR  33 -25.607  -2.989  -9.902
  234    HA   TYR  33           HA       TYR  33 -26.204  -0.950  -7.903
  235    HB2  TYR  33           HB2      TYR  33 -27.922  -2.355  -9.944
  236    HB3  TYR  33           HB1      TYR  33 -28.487  -1.091  -8.856
  237    HD1  TYR  33           HD2      TYR  33 -27.236   1.173  -8.880
  238    HD2  TYR  33           HD1      TYR  33 -26.858  -1.778 -11.973
  239    HE1  TYR  33           HE2      TYR  33 -26.354   2.902 -10.424
  240    HE2  TYR  33           HE1      TYR  33 -25.971  -0.052 -13.517
  241    HH   TYR  33           HH       TYR  33 -25.017   3.064 -12.431
  242    H    LEU  34           HN       LEU  34 -26.218  -4.337  -8.102
  243    HA   LEU  34           HA       LEU  34 -27.653  -4.489  -5.538
  244    HB2  LEU  34           HB2      LEU  34 -29.168  -4.960  -7.590
  245    HB3  LEU  34           HB1      LEU  34 -28.267  -6.463  -7.724
  246    HG   LEU  34           HG       LEU  34 -28.841  -6.940  -5.327
  247   HD11  LEU  34          HD11      LEU  34 -31.094  -5.492  -4.770
  248   HD12  LEU  34          HD12      LEU  34 -30.146  -4.271  -5.616
  249   HD13  LEU  34          HD13      LEU  34 -29.492  -5.057  -4.181
  250   HD21  LEU  34          HD21      LEU  34 -31.117  -6.530  -7.279
  251   HD22  LEU  34          HD22      LEU  34 -31.220  -7.534  -5.835
  252   HD23  LEU  34          HD23      LEU  34 -30.114  -7.973  -7.137
  253    H    SER  35           HN       SER  35 -26.787  -5.974  -4.143
  254    HA   SER  35           HA       SER  35 -24.318  -7.306  -5.037
  255    HB2  SER  35           HB2      SER  35 -24.452  -5.804  -2.963
  256    HB3  SER  35           HB1      SER  35 -25.337  -7.125  -2.203
  257    HG   SER  35           HG       SER  35 -22.862  -7.520  -3.518
  258    H    ARG  36           HN       ARG  36 -27.552  -8.062  -4.620
  259    HA   ARG  36           HA       ARG  36 -26.999 -10.890  -4.807
  260    HB2  ARG  36           HB2      ARG  36 -26.944 -10.300  -2.299
  261    HB3  ARG  36           HB1      ARG  36 -28.675 -10.016  -2.457
  262    HG2  ARG  36           HG2      ARG  36 -28.890 -12.332  -3.428
  263    HG3  ARG  36           HG1      ARG  36 -27.192 -12.590  -3.019
  264    HD2  ARG  36           HD2      ARG  36 -29.329 -11.793  -1.025
  265    HD3  ARG  36           HD1      ARG  36 -28.758 -13.442  -1.266
  266    HE   ARG  36           HE       ARG  36 -27.315 -11.270   0.041
  267   HH11  ARG  36          HH21      ARG  36 -27.233 -14.405  -1.427
  268   HH12  ARG  36          HH22      ARG  36 -25.766 -14.885  -0.643
  269   HH21  ARG  36          HH11      ARG  36 -25.393 -11.895   1.073
  270   HH22  ARG  36          HH12      ARG  36 -24.724 -13.465   0.773
  271    H    CYS  37           HN       CYS  37 -28.860 -12.094  -5.469
  272    HA   CYS  37           HA       CYS  37 -31.128 -10.381  -6.330
  273    HB2  CYS  37           HB2      CYS  37 -31.381 -12.211  -8.073
  274    HB3  CYS  37           HB1      CYS  37 -29.971 -11.161  -8.221
  275    HG   CYS  37           HG       CYS  37 -28.661 -13.262  -8.168
  276    H    ASN  38           HN       ASN  38 -32.605 -10.639  -4.823
  277    HA   ASN  38           HA       ASN  38 -33.607 -13.359  -4.280
  278    HB2  ASN  38           HB2      ASN  38 -33.251 -11.043  -2.374
  279    HB3  ASN  38           HB1      ASN  38 -34.244 -12.453  -2.019
  280   HD21  ASN  38          HD21      ASN  38 -32.173 -12.108  -0.282
  281   HD22  ASN  38          HD22      ASN  38 -30.907 -13.195  -0.611
  282    H    SER  39           HN       SER  39 -35.882 -13.337  -3.809
  283    HA   SER  39           HA       SER  39 -37.926 -12.946  -4.774
  284    HB2  SER  39           HB2      SER  39 -38.962 -10.893  -3.720
  285    HB3  SER  39           HB1      SER  39 -38.254 -12.068  -2.630
  286    HG   SER  39           HG       SER  39 -37.689  -9.558  -2.714
  287    H    ILE  40           HN       ILE  40 -38.777 -12.413  -6.605
  288    HA   ILE  40           HA       ILE  40 -38.016  -9.878  -7.936
  289    HB   ILE  40           HB       ILE  40 -37.699 -12.670  -9.017
  290   HG12  ILE  40          HG12      ILE  40 -35.808 -10.351  -9.400
  291   HG13  ILE  40          HG11      ILE  40 -35.819 -11.196  -7.856
  292   HG21  ILE  40          HG21      ILE  40 -37.175 -11.412 -11.237
  293   HG22  ILE  40          HG22      ILE  40 -38.129 -10.100 -10.545
  294   HG23  ILE  40          HG23      ILE  40 -38.866 -11.679 -10.812
  295   HD11  ILE  40          HD11      ILE  40 -35.126 -12.260 -10.592
  296   HD12  ILE  40          HD12      ILE  40 -35.560 -13.356  -9.280
  297   HD13  ILE  40          HD13      ILE  40 -34.161 -12.302  -9.120
  298    H    LYS  41           HN       LYS  41 -39.554  -8.969  -9.210
  299    HA   LYS  41           HA       LYS  41 -41.925 -10.511  -9.971
  300    HB2  LYS  41           HB2      LYS  41 -43.342  -8.537  -9.018
  301    HB3  LYS  41           HB1      LYS  41 -42.811  -9.827  -7.941
  302    HG2  LYS  41           HG2      LYS  41 -41.099  -8.528  -7.017
  303    HG3  LYS  41           HG1      LYS  41 -41.139  -7.364  -8.328
  304    HD2  LYS  41           HD2      LYS  41 -42.216  -6.645  -6.094
  305    HD3  LYS  41           HD1      LYS  41 -43.154  -6.380  -7.559
  306    HE2  LYS  41           HE2      LYS  41 -44.601  -8.168  -7.105
  307    HE3  LYS  41           HE1      LYS  41 -43.473  -8.936  -5.993
  308    HZ1  LYS  41           HZ1      LYS  41 -44.320  -6.261  -5.267
  309    HZ2  LYS  41           HZ2      LYS  41 -44.118  -7.640  -4.294
  310    HZ3  LYS  41           HZ3      LYS  41 -45.534  -7.443  -5.211
  311    H    VAL  42           HN       VAL  42 -41.698 -10.144 -12.152
  312    HA   VAL  42           HA       VAL  42 -40.817  -7.728 -13.209
  313    HB   VAL  42           HB       VAL  42 -42.191 -10.200 -14.219
  314   HG11  VAL  42          HG11      VAL  42 -41.805  -9.102 -16.561
  315   HG12  VAL  42          HG12      VAL  42 -41.920  -7.596 -15.684
  316   HG13  VAL  42          HG13      VAL  42 -43.249  -8.710 -15.660
  317   HG21  VAL  42          HG21      VAL  42 -40.136 -10.549 -15.397
  318   HG22  VAL  42          HG22      VAL  42 -39.693 -10.038 -13.771
  319   HG23  VAL  42          HG23      VAL  42 -39.610  -8.895 -15.108
  320    H    GLU  43           HN       GLU  43 -41.904  -6.168 -14.296
  321    HA   GLU  43           HA       GLU  43 -44.784  -5.840 -13.665
  322    HB2  GLU  43           HB2      GLU  43 -42.595  -3.755 -13.704
  323    HB3  GLU  43           HB1      GLU  43 -44.313  -3.420 -13.478
  324    HG2  GLU  43           HG2      GLU  43 -44.310  -4.925 -11.495
  325    HG3  GLU  43           HG1      GLU  43 -42.578  -5.148 -11.698
  326    H    GLY  44           HN       GLY  44 -44.239  -7.097 -15.986
  327    HA2  GLY  44           HA2      GLY  44 -45.265  -5.297 -17.944
  328    HA3  GLY  44           HA1      GLY  44 -43.555  -5.593 -18.216
  329    H    GLY  45           HN       GLY  45 -42.863  -7.612 -18.945
  330    HA2  GLY  45           HA2      GLY  45 -44.928  -9.643 -19.552
  331    HA3  GLY  45           HA1      GLY  45 -43.904  -9.009 -20.839
  332    H    THR  46           HN       THR  46 -42.741 -10.860 -21.334
  333    HA   THR  46           HA       THR  46 -41.572 -12.480 -19.242
  334    HB   THR  46           HB       THR  46 -41.201 -12.592 -22.243
  335    HG1  THR  46           HG1      THR  46 -42.754 -14.272 -20.597
  336   HG21  THR  46          HG21      THR  46 -40.610 -15.030 -21.567
  337   HG22  THR  46          HG22      THR  46 -40.331 -14.361 -19.961
  338   HG23  THR  46          HG23      THR  46 -39.385 -13.784 -21.335
  339    H    TRP  47           HN       TRP  47 -39.208 -13.046 -19.363
  340    HA   TRP  47           HA       TRP  47 -37.425 -10.987 -20.367
  341    HB2  TRP  47           HB2      TRP  47 -38.139 -11.252 -17.484
  342    HB3  TRP  47           HB1      TRP  47 -36.444 -10.965 -17.853
  343    HD1  TRP  47           HD1      TRP  47 -39.687  -9.264 -17.485
  344    HE1  TRP  47           HE1      TRP  47 -39.449  -6.775 -18.088
  345    HE3  TRP  47           HE3      TRP  47 -35.126  -9.332 -19.758
  346    HZ2  TRP  47           HZ2      TRP  47 -37.613  -5.051 -19.449
  347    HZ3  TRP  47           HZ3      TRP  47 -34.159  -7.251 -20.702
  348    HH2  TRP  47           HH2      TRP  47 -35.398  -5.116 -20.550
  349    H    ALA  48           HN       ALA  48 -35.243 -11.537 -20.190
  350    HA   ALA  48           HA       ALA  48 -34.703 -14.413 -19.739
  351    HB1  ALA  48           HB1      ALA  48 -32.749 -13.927 -21.355
  352    HB2  ALA  48           HB2      ALA  48 -33.642 -12.471 -21.786
  353    HB3  ALA  48           HB3      ALA  48 -34.362 -14.057 -22.050
  354    H    VAL  49           HN       VAL  49 -33.418 -14.756 -18.057
  355    HA   VAL  49           HA       VAL  49 -31.588 -12.575 -17.195
  356    HB   VAL  49           HB       VAL  49 -31.847 -13.678 -14.905
  357   HG11  VAL  49          HG11      VAL  49 -34.388 -12.514 -16.070
  358   HG12  VAL  49          HG12      VAL  49 -32.980 -11.534 -15.668
  359   HG13  VAL  49          HG13      VAL  49 -33.835 -12.412 -14.400
  360   HG21  VAL  49          HG21      VAL  49 -32.888 -15.761 -15.903
  361   HG22  VAL  49          HG22      VAL  49 -34.349 -14.815 -16.157
  362   HG23  VAL  49          HG23      VAL  49 -33.743 -15.085 -14.521
  363    H    TYR  50           HN       TYR  50 -29.492 -13.032 -17.065
  364    HA   TYR  50           HA       TYR  50 -28.623 -15.821 -17.524
  365    HB2  TYR  50           HB2      TYR  50 -27.185 -13.174 -17.850
  366    HB3  TYR  50           HB1      TYR  50 -26.444 -14.752 -18.112
  367    HD1  TYR  50           HD1      TYR  50 -29.117 -12.449 -19.274
  368    HD2  TYR  50           HD2      TYR  50 -26.872 -16.017 -20.098
  369    HE1  TYR  50           HE1      TYR  50 -30.052 -12.508 -21.570
  370    HE2  TYR  50           HE2      TYR  50 -27.809 -16.076 -22.395
  371    HH   TYR  50           HH       TYR  50 -29.099 -13.628 -23.917
  372    H    GLU  51           HN       GLU  51 -28.235 -16.868 -15.674
  373    HA   GLU  51           HA       GLU  51 -27.983 -16.041 -13.135
  374    HB2  GLU  51           HB2      GLU  51 -27.830 -18.413 -13.897
  375    HB3  GLU  51           HB1      GLU  51 -26.149 -18.113 -14.341
  376    HG2  GLU  51           HG2      GLU  51 -25.642 -17.494 -11.999
  377    HG3  GLU  51           HG1      GLU  51 -27.317 -17.811 -11.559
  378    H    ARG  52           HN       ARG  52 -25.418 -15.854 -15.559
  379    HA   ARG  52           HA       ARG  52 -23.717 -14.422 -13.615
  380    HB2  ARG  52           HB2      ARG  52 -22.872 -15.873 -16.111
  381    HB3  ARG  52           HB1      ARG  52 -21.812 -15.122 -14.914
  382    HG2  ARG  52           HG2      ARG  52 -22.757 -16.642 -13.180
  383    HG3  ARG  52           HG1      ARG  52 -23.706 -17.442 -14.433
  384    HD2  ARG  52           HD2      ARG  52 -20.686 -17.211 -14.458
  385    HD3  ARG  52           HD1      ARG  52 -21.568 -18.633 -13.913
  386    HE   ARG  52           HE       ARG  52 -22.366 -17.863 -16.551
  387   HH11  ARG  52          HH21      ARG  52 -19.885 -19.388 -14.687
  388   HH12  ARG  52          HH22      ARG  52 -19.341 -20.405 -15.981
  389   HH21  ARG  52          HH11      ARG  52 -21.661 -19.193 -18.258
  390   HH22  ARG  52          HH12      ARG  52 -20.347 -20.294 -18.004
  391    HA   PRO  53           HA       PRO  53 -24.282 -10.816 -16.227
  392    HB2  PRO  53           HB2      PRO  53 -21.612  -9.883 -15.365
  393    HB3  PRO  53           HB1      PRO  53 -23.195  -9.130 -15.128
  394    HG2  PRO  53           HG2      PRO  53 -21.765 -10.309 -13.133
  395    HG3  PRO  53           HG1      PRO  53 -23.526 -10.142 -13.123
  396    HD2  PRO  53           HD2      PRO  53 -21.883 -12.580 -13.594
  397    HD3  PRO  53           HD1      PRO  53 -23.543 -12.409 -12.975
  398    H    ASN  54           HN       ASN  54 -23.373  -9.794 -18.056
  399    HA   ASN  54           HA       ASN  54 -22.038  -9.571 -19.924
  400    HB2  ASN  54           HB2      ASN  54 -20.481 -12.049 -19.229
  401    HB3  ASN  54           HB1      ASN  54 -19.982 -10.648 -20.165
  402   HD21  ASN  54          HD21      ASN  54 -20.528  -8.486 -18.559
  403   HD22  ASN  54          HD22      ASN  54 -19.717  -8.615 -17.073
  404    H    PHE  55           HN       PHE  55 -24.046 -12.033 -19.025
  405    HA   PHE  55           HA       PHE  55 -25.540 -13.213 -20.310
  406    HB2  PHE  55           HB2      PHE  55 -23.851 -12.810 -22.775
  407    HB3  PHE  55           HB1      PHE  55 -25.566 -13.171 -22.655
  408    HD1  PHE  55           HD2      PHE  55 -26.851 -11.404 -20.993
  409    HD2  PHE  55           HD1      PHE  55 -23.385 -10.586 -23.397
  410    HE1  PHE  55           HE2      PHE  55 -27.405  -8.988 -20.967
  411    HE2  PHE  55           HE1      PHE  55 -23.943  -8.166 -23.369
  412    HZ   PHE  55           HZ       PHE  55 -25.960  -7.371 -22.157
  413    H    ALA  56           HN       ALA  56 -24.068 -14.570 -18.758
  414    HA   ALA  56           HA       ALA  56 -23.271 -16.946 -20.310
  415    HB1  ALA  56           HB1      ALA  56 -21.549 -15.819 -18.092
  416    HB2  ALA  56           HB2      ALA  56 -21.201 -15.620 -19.808
  417    HB3  ALA  56           HB3      ALA  56 -21.208 -17.231 -19.091
  418    H    GLY  57           HN       GLY  57 -22.994 -18.870 -18.850
  419    HA2  GLY  57           HA2      GLY  57 -23.567 -20.138 -16.961
  420    HA3  GLY  57           HA1      GLY  57 -24.356 -18.723 -16.270
  421    H    TYR  58           HN       TYR  58 -26.154 -20.090 -15.742
  422    HA   TYR  58           HA       TYR  58 -27.650 -21.461 -17.756
  423    HB2  TYR  58           HB2      TYR  58 -28.748 -20.493 -15.119
  424    HB3  TYR  58           HB1      TYR  58 -29.219 -21.921 -16.040
  425    HD1  TYR  58           HD2      TYR  58 -26.676 -23.212 -16.718
  426    HD2  TYR  58           HD1      TYR  58 -27.844 -21.228 -13.089
  427    HE1  TYR  58           HE2      TYR  58 -25.025 -24.548 -15.456
  428    HE2  TYR  58           HE1      TYR  58 -26.185 -22.569 -11.829
  429    HH   TYR  58           HH       TYR  58 -24.248 -25.084 -13.438
  430    H    MET  59           HN       MET  59 -29.497 -20.863 -18.821
  431    HA   MET  59           HA       MET  59 -30.104 -17.957 -18.823
  432    HB2  MET  59           HB2      MET  59 -30.411 -20.049 -20.994
  433    HB3  MET  59           HB1      MET  59 -30.910 -18.362 -21.136
  434    HG2  MET  59           HG2      MET  59 -28.584 -17.641 -20.703
  435    HG3  MET  59           HG1      MET  59 -28.088 -19.329 -20.585
  436    HE1  MET  59           HE1      MET  59 -26.432 -19.748 -22.795
  437    HE2  MET  59           HE2      MET  59 -26.407 -18.164 -22.025
  438    HE3  MET  59           HE3      MET  59 -26.427 -18.281 -23.781
  439    H    TYR  60           HN       TYR  60 -31.649 -18.097 -17.129
  440    HA   TYR  60           HA       TYR  60 -34.009 -19.784 -17.566
  441    HB2  TYR  60           HB2      TYR  60 -32.897 -19.480 -15.280
  442    HB3  TYR  60           HB1      TYR  60 -33.578 -17.860 -15.284
  443    HD1  TYR  60           HD2      TYR  60 -36.029 -17.509 -15.282
  444    HD2  TYR  60           HD1      TYR  60 -34.304 -21.437 -15.036
  445    HE1  TYR  60           HE2      TYR  60 -38.210 -18.429 -14.534
  446    HE2  TYR  60           HE1      TYR  60 -36.487 -22.348 -14.293
  447    HH   TYR  60           HH       TYR  60 -38.537 -21.691 -13.368
  448    H    ILE  61           HN       ILE  61 -35.955 -19.012 -18.205
  449    HA   ILE  61           HA       ILE  61 -36.060 -16.170 -19.013
  450    HB   ILE  61           HB       ILE  61 -37.736 -18.554 -19.836
  451   HG12  ILE  61          HG12      ILE  61 -36.649 -18.025 -22.076
  452   HG13  ILE  61          HG11      ILE  61 -35.576 -16.927 -21.211
  453   HG21  ILE  61          HG21      ILE  61 -37.892 -15.616 -20.508
  454   HG22  ILE  61          HG22      ILE  61 -39.177 -16.682 -19.952
  455   HG23  ILE  61          HG23      ILE  61 -38.544 -16.848 -21.587
  456   HD11  ILE  61          HD11      ILE  61 -35.800 -19.734 -20.174
  457   HD12  ILE  61          HD12      ILE  61 -34.416 -18.644 -20.189
  458   HD13  ILE  61          HD13      ILE  61 -34.897 -19.473 -21.665
  459    H    LEU  62           HN       LEU  62 -36.586 -15.311 -16.927
  460    HA   LEU  62           HA       LEU  62 -38.680 -16.314 -15.337
  461    HB2  LEU  62           HB2      LEU  62 -36.775 -14.143 -15.268
  462    HB3  LEU  62           HB1      LEU  62 -38.351 -13.549 -14.756
  463    HG   LEU  62           HG       LEU  62 -37.096 -16.080 -13.626
  464   HD11  LEU  62          HD11      LEU  62 -36.592 -14.587 -11.626
  465   HD12  LEU  62          HD12      LEU  62 -36.895 -13.210 -12.686
  466   HD13  LEU  62          HD13      LEU  62 -35.577 -14.324 -13.044
  467   HD21  LEU  62          HD21      LEU  62 -39.400 -16.099 -13.130
  468   HD22  LEU  62          HD22      LEU  62 -39.478 -14.350 -12.930
  469   HD23  LEU  62          HD23      LEU  62 -38.706 -15.344 -11.699
  470    HA   PRO  63           HA       PRO  63 -41.826 -14.435 -18.033
  471    HB2  PRO  63           HB2      PRO  63 -43.957 -15.908 -17.288
  472    HB3  PRO  63           HB1      PRO  63 -42.669 -16.573 -18.313
  473    HG2  PRO  63           HG2      PRO  63 -43.189 -16.984 -15.409
  474    HG3  PRO  63           HG1      PRO  63 -42.582 -18.125 -16.621
  475    HD2  PRO  63           HD2      PRO  63 -40.977 -16.713 -14.786
  476    HD3  PRO  63           HD1      PRO  63 -40.402 -17.516 -16.253
  477    H    GLN  64           HN       GLN  64 -43.865 -13.230 -17.713
  478    HA   GLN  64           HA       GLN  64 -43.778 -11.380 -15.637
  479    HB2  GLN  64           HB2      GLN  64 -45.168 -11.468 -17.892
  480    HB3  GLN  64           HB1      GLN  64 -46.429 -12.141 -16.859
  481    HG2  GLN  64           HG2      GLN  64 -45.079  -9.446 -16.629
  482    HG3  GLN  64           HG1      GLN  64 -46.782  -9.781 -16.890
  483   HE21  GLN  64          HE21      GLN  64 -44.449  -9.163 -14.442
  484   HE22  GLN  64          HE22      GLN  64 -45.414  -9.582 -13.113
  485    H    GLY  65           HN       GLY  65 -44.234 -11.530 -13.518
  486    HA2  GLY  65           HA2      GLY  65 -46.436 -12.598 -12.298
  487    HA3  GLY  65           HA1      GLY  65 -45.317 -13.952 -12.399
  488    H    GLU  66           HN       GLU  66 -45.751 -13.566  -9.947
  489    HA   GLU  66           HA       GLU  66 -43.811 -11.626  -8.863
  490    HB2  GLU  66           HB2      GLU  66 -46.178 -12.988  -7.582
  491    HB3  GLU  66           HB1      GLU  66 -45.001 -12.006  -6.703
  492    HG2  GLU  66           HG2      GLU  66 -45.497 -10.078  -8.118
  493    HG3  GLU  66           HG1      GLU  66 -46.608 -11.048  -9.081
  494    H    TYR  67           HN       TYR  67 -42.406 -12.279  -7.210
  495    HA   TYR  67           HA       TYR  67 -42.060 -15.136  -6.733
  496    HB2  TYR  67           HB2      TYR  67 -39.757 -13.491  -7.829
  497    HB3  TYR  67           HB1      TYR  67 -39.736 -15.168  -7.403
  498    HD1  TYR  67           HD1      TYR  67 -41.624 -12.839  -9.735
  499    HD2  TYR  67           HD2      TYR  67 -40.110 -16.800  -9.040
  500    HE1  TYR  67           HE1      TYR  67 -42.388 -13.518 -11.961
  501    HE2  TYR  67           HE2      TYR  67 -40.900 -17.471 -11.285
  502    HH   TYR  67           HH       TYR  67 -42.918 -16.469 -12.877
  503    HA   PRO  68           HA       PRO  68 -41.590 -12.467  -2.968
  504    HB2  PRO  68           HB2      PRO  68 -42.372 -15.008  -1.656
  505    HB3  PRO  68           HB1      PRO  68 -43.035 -13.378  -1.445
  506    HG2  PRO  68           HG2      PRO  68 -44.373 -15.290  -2.770
  507    HG3  PRO  68           HG1      PRO  68 -44.473 -13.579  -3.227
  508    HD2  PRO  68           HD2      PRO  68 -42.950 -15.800  -4.556
  509    HD3  PRO  68           HD1      PRO  68 -43.768 -14.400  -5.286
  510    H    GLU  69           HN       GLU  69 -40.118 -15.410  -4.003
  511    HA   GLU  69           HA       GLU  69 -37.768 -14.758  -2.421
  512    HB2  GLU  69           HB2      GLU  69 -39.226 -17.403  -2.177
  513    HB3  GLU  69           HB1      GLU  69 -37.574 -17.135  -1.625
  514    HG2  GLU  69           HG2      GLU  69 -38.397 -15.309  -0.150
  515    HG3  GLU  69           HG1      GLU  69 -40.044 -15.667  -0.661
  516    H    TYR  70           HN       TYR  70 -35.902 -16.070  -3.136
  517    HA   TYR  70           HA       TYR  70 -35.758 -16.153  -5.944
  518    HB2  TYR  70           HB2      TYR  70 -33.563 -17.262  -5.594
  519    HB3  TYR  70           HB1      TYR  70 -33.756 -15.821  -4.601
  520    HD1  TYR  70           HD2      TYR  70 -34.514 -16.125  -2.155
  521    HD2  TYR  70           HD1      TYR  70 -33.118 -19.355  -4.621
  522    HE1  TYR  70           HE2      TYR  70 -34.110 -17.491  -0.135
  523    HE2  TYR  70           HE1      TYR  70 -32.703 -20.719  -2.597
  524    HH   TYR  70           HH       TYR  70 -32.270 -19.786   0.201
  525    H    GLN  71           HN       GLN  71 -35.980 -18.794  -3.563
  526    HA   GLN  71           HA       GLN  71 -35.852 -21.045  -5.080
  527    HB2  GLN  71           HB2      GLN  71 -37.940 -20.583  -2.957
  528    HB3  GLN  71           HB1      GLN  71 -37.307 -22.141  -3.495
  529    HG2  GLN  71           HG2      GLN  71 -35.044 -21.472  -2.759
  530    HG3  GLN  71           HG1      GLN  71 -35.697 -19.935  -2.186
  531   HE21  GLN  71          HE21      GLN  71 -38.261 -21.500  -1.406
  532   HE22  GLN  71          HE22      GLN  71 -37.844 -22.215   0.082
  533    H    ARG  72           HN       ARG  72 -38.110 -18.602  -5.511
  534    HA   ARG  72           HA       ARG  72 -40.262 -20.160  -6.570
  535    HB2  ARG  72           HB2      ARG  72 -39.546 -17.261  -6.867
  536    HB3  ARG  72           HB1      ARG  72 -41.105 -17.952  -7.301
  537    HG2  ARG  72           HG2      ARG  72 -39.987 -18.243  -4.509
  538    HG3  ARG  72           HG1      ARG  72 -40.851 -16.783  -4.981
  539    HD2  ARG  72           HD2      ARG  72 -42.789 -18.167  -5.662
  540    HD3  ARG  72           HD1      ARG  72 -41.936 -19.610  -5.130
  541    HE   ARG  72           HE       ARG  72 -42.116 -17.649  -3.047
  542   HH11  ARG  72          HH21      ARG  72 -43.772 -20.104  -4.813
  543   HH12  ARG  72          HH22      ARG  72 -44.847 -20.518  -3.518
  544   HH21  ARG  72          HH11      ARG  72 -43.514 -18.179  -1.326
  545   HH22  ARG  72          HH12      ARG  72 -44.699 -19.425  -1.539
  546    H    TRP  73           HN       TRP  73 -37.184 -19.533  -7.767
  547    HA   TRP  73           HA       TRP  73 -38.107 -19.733 -10.599
  548    HB2  TRP  73           HB2      TRP  73 -35.992 -18.656 -11.243
  549    HB3  TRP  73           HB1      TRP  73 -36.959 -17.621 -10.201
  550    HD1  TRP  73           HD1      TRP  73 -35.335 -20.218  -8.154
  551    HE1  TRP  73           HE1      TRP  73 -33.340 -19.333  -6.932
  552    HE3  TRP  73           HE3      TRP  73 -34.763 -15.871 -10.689
  553    HZ2  TRP  73           HZ2      TRP  73 -31.652 -17.021  -7.006
  554    HZ3  TRP  73           HZ3      TRP  73 -32.922 -14.338 -10.090
  555    HH2  TRP  73           HH2      TRP  73 -31.361 -14.901  -8.258
  556    H    MET  74           HN       MET  74 -37.601 -21.866  -8.590
  557    HA   MET  74           HA       MET  74 -36.962 -24.072  -8.821
  558    HB2  MET  74           HB2      MET  74 -34.959 -23.213 -10.933
  559    HB3  MET  74           HB1      MET  74 -35.361 -24.860 -10.463
  560    HG2  MET  74           HG2      MET  74 -37.428 -22.933 -11.537
  561    HG3  MET  74           HG1      MET  74 -36.523 -24.050 -12.559
  562    HE1  MET  74           HE1      MET  74 -39.025 -24.807 -13.276
  563    HE2  MET  74           HE2      MET  74 -39.681 -23.720 -12.054
  564    HE3  MET  74           HE3      MET  74 -40.224 -25.394 -12.115
  565    H    GLY  75           HN       GLY  75 -35.720 -21.728  -7.354
  566    HA2  GLY  75           HA2      GLY  75 -33.832 -21.248  -6.045
  567    HA3  GLY  75           HA1      GLY  75 -34.206 -22.870  -5.469
  568    H    LEU  76           HN       LEU  76 -32.694 -21.497  -8.415
  569    HA   LEU  76           HA       LEU  76 -30.812 -23.682  -8.550
  570    HB2  LEU  76           HB2      LEU  76 -30.762 -21.008  -9.981
  571    HB3  LEU  76           HB1      LEU  76 -29.905 -22.478 -10.462
  572    HG   LEU  76           HG       LEU  76 -32.923 -22.175 -10.281
  573   HD11  LEU  76          HD11      LEU  76 -30.990 -22.183 -12.605
  574   HD12  LEU  76          HD12      LEU  76 -32.192 -20.960 -12.195
  575   HD13  LEU  76          HD13      LEU  76 -32.706 -22.531 -12.807
  576   HD21  LEU  76          HD21      LEU  76 -32.701 -24.419 -11.629
  577   HD22  LEU  76          HD22      LEU  76 -32.525 -24.457  -9.881
  578   HD23  LEU  76          HD23      LEU  76 -31.095 -24.491 -10.907
  579    H    ASN  77           HN       ASN  77 -30.146 -20.166  -8.373
  580    HA   ASN  77           HA       ASN  77 -28.461 -20.507  -6.042
  581    HB2  ASN  77           HB2      ASN  77 -26.963 -21.172  -7.891
  582    HB3  ASN  77           HB1      ASN  77 -27.319 -19.649  -8.706
  583   HD21  ASN  77          HD21      ASN  77 -26.210 -20.742  -5.445
  584   HD22  ASN  77          HD22      ASN  77 -25.070 -19.492  -5.263
  585    H    ASP  78           HN       ASP  78 -27.710 -18.416  -5.263
  586    HA   ASP  78           HA       ASP  78 -29.676 -16.325  -5.790
  587    HB2  ASP  78           HB2      ASP  78 -28.727 -15.227  -3.866
  588    HB3  ASP  78           HB1      ASP  78 -28.978 -16.927  -3.486
  589    H    ARG  79           HN       ARG  79 -28.383 -16.510  -8.073
  590    HA   ARG  79           HA       ARG  79 -26.659 -14.112  -8.113
  591    HB2  ARG  79           HB2      ARG  79 -25.278 -16.246  -8.213
  592    HB3  ARG  79           HB1      ARG  79 -26.071 -16.587  -9.746
  593    HG2  ARG  79           HG2      ARG  79 -24.175 -15.468 -10.501
  594    HG3  ARG  79           HG1      ARG  79 -25.297 -14.119 -10.349
  595    HD2  ARG  79           HD2      ARG  79 -24.397 -13.666  -8.068
  596    HD3  ARG  79           HD1      ARG  79 -23.236 -14.971  -8.293
  597    HE   ARG  79           HE       ARG  79 -23.138 -12.332  -9.502
  598   HH11  ARG  79          HH21      ARG  79 -22.146 -15.642  -9.621
  599   HH12  ARG  79          HH22      ARG  79 -20.702 -15.323 -10.524
  600   HH21  ARG  79          HH11      ARG  79 -21.247 -11.902 -10.687
  601   HH22  ARG  79          HH12      ARG  79 -20.193 -13.204 -11.127
  602    H    LEU  80           HN       LEU  80 -27.689 -12.678  -9.357
  603    HA   LEU  80           HA       LEU  80 -28.740 -13.576 -11.946
  604    HB2  LEU  80           HB2      LEU  80 -30.523 -13.336  -9.950
  605    HB3  LEU  80           HB1      LEU  80 -30.404 -11.634 -10.384
  606    HG   LEU  80           HG       LEU  80 -32.231 -12.622 -11.613
  607   HD11  LEU  80          HD11      LEU  80 -31.699 -11.744 -13.699
  608   HD12  LEU  80          HD12      LEU  80 -30.054 -12.379 -13.671
  609   HD13  LEU  80          HD13      LEU  80 -30.489 -10.988 -12.678
  610   HD21  LEU  80          HD21      LEU  80 -30.894 -14.977 -11.566
  611   HD22  LEU  80          HD22      LEU  80 -30.465 -14.456 -13.197
  612   HD23  LEU  80          HD23      LEU  80 -32.157 -14.630 -12.741
  613    H    SER  81           HN       SER  81 -28.121 -12.298 -13.507
  614    HA   SER  81           HA       SER  81 -26.978  -9.646 -12.827
  615    HB2  SER  81           HB2      SER  81 -25.413  -9.965 -14.480
  616    HB3  SER  81           HB1      SER  81 -25.629 -11.615 -13.915
  617    HG   SER  81           HG       SER  81 -26.966 -12.015 -15.638
  618    H    SER  82           HN       SER  82 -26.820  -8.675 -15.448
  619    HA   SER  82           HA       SER  82 -29.120  -7.241 -15.764
  620    HB2  SER  82           HB2      SER  82 -27.297  -6.563 -17.080
  621    HB3  SER  82           HB1      SER  82 -27.086  -8.169 -17.776
  622    HG   SER  82           HG       SER  82 -29.064  -7.878 -18.858
  623    H    CYS  83           HN       CYS  83 -30.421  -7.440 -18.021
  624    HA   CYS  83           HA       CYS  83 -31.321 -10.183 -18.462
  625    HB2  CYS  83           HB2      CYS  83 -33.586  -9.775 -17.835
  626    HB3  CYS  83           HB1      CYS  83 -32.599  -9.179 -16.493
  627    HG   CYS  83           HG       CYS  83 -34.523  -7.444 -17.623
  628    H    ARG  84           HN       ARG  84 -32.493 -10.427 -20.423
  629    HA   ARG  84           HA       ARG  84 -32.480  -8.047 -22.201
  630    HB2  ARG  84           HB2      ARG  84 -32.125 -10.971 -22.901
  631    HB3  ARG  84           HB1      ARG  84 -32.203  -9.644 -24.062
  632    HG2  ARG  84           HG2      ARG  84 -30.239  -8.596 -22.990
  633    HG3  ARG  84           HG1      ARG  84 -30.150  -9.938 -21.849
  634    HD2  ARG  84           HD2      ARG  84 -28.569 -10.380 -23.616
  635    HD3  ARG  84           HD1      ARG  84 -29.920 -11.493 -23.816
  636    HE   ARG  84           HE       ARG  84 -30.395  -9.139 -25.324
  637   HH11  ARG  84          HH21      ARG  84 -28.407 -11.969 -25.202
  638   HH12  ARG  84          HH22      ARG  84 -28.159 -12.037 -26.915
  639   HH21  ARG  84          HH11      ARG  84 -30.072  -9.219 -27.568
  640   HH22  ARG  84          HH12      ARG  84 -29.101 -10.478 -28.256
  641    H    ALA  85           HN       ALA  85 -34.418  -7.409 -22.893
  642    HA   ALA  85           HA       ALA  85 -36.820  -8.601 -22.055
  643    HB1  ALA  85           HB1      ALA  85 -36.615  -6.225 -22.719
  644    HB2  ALA  85           HB2      ALA  85 -37.921  -7.039 -23.581
  645    HB3  ALA  85           HB3      ALA  85 -36.388  -6.728 -24.394
  646    H    VAL  86           HN       VAL  86 -37.958 -10.282 -22.807
  647    HA   VAL  86           HA       VAL  86 -37.389 -11.235 -25.576
  648    HB   VAL  86           HB       VAL  86 -37.840 -12.848 -23.051
  649   HG11  VAL  86          HG11      VAL  86 -39.041 -13.967 -24.807
  650   HG12  VAL  86          HG12      VAL  86 -37.498 -14.801 -24.636
  651   HG13  VAL  86          HG13      VAL  86 -37.740 -13.664 -25.959
  652   HG21  VAL  86          HG21      VAL  86 -35.491 -12.341 -24.881
  653   HG22  VAL  86          HG22      VAL  86 -35.595 -13.843 -23.970
  654   HG23  VAL  86          HG23      VAL  86 -35.556 -12.301 -23.121
  655    H    HIS  87           HN       HIS  87 -39.091 -11.485 -26.860
  656    HA   HIS  87           HA       HIS  87 -41.791 -11.115 -25.723
  657    HB2  HIS  87           HB2      HIS  87 -40.781 -10.913 -28.573
  658    HB3  HIS  87           HB1      HIS  87 -42.451 -10.647 -28.065
  659    HD2  HIS  87           HD2      HIS  87 -39.155  -8.676 -28.293
  660    HE1  HIS  87           HE1      HIS  87 -41.755  -6.370 -25.897
  661    HE2  HIS  87           HE2      HIS  87 -39.545  -6.363 -27.148
  662    H    LEU  88           HN       LEU  88 -43.543 -12.399 -26.676
  663    HA   LEU  88           HA       LEU  88 -42.861 -15.195 -26.634
  664    HB2  LEU  88           HB2      LEU  88 -45.624 -14.284 -27.355
  665    HB3  LEU  88           HB1      LEU  88 -45.121 -15.577 -26.274
  666    HG   LEU  88           HG       LEU  88 -44.933 -12.604 -25.681
  667   HD11  LEU  88          HD11      LEU  88 -47.225 -13.554 -25.645
  668   HD12  LEU  88          HD12      LEU  88 -46.679 -13.056 -24.044
  669   HD13  LEU  88          HD13      LEU  88 -46.681 -14.764 -24.483
  670   HD21  LEU  88          HD21      LEU  88 -44.300 -15.010 -23.939
  671   HD22  LEU  88          HD22      LEU  88 -44.242 -13.324 -23.428
  672   HD23  LEU  88          HD23      LEU  88 -43.099 -13.919 -24.628
  673    HA   PRO  89           HA       PRO  89 -42.536 -15.833 -31.013
  674    HB2  PRO  89           HB2      PRO  89 -43.457 -18.410 -31.284
  675    HB3  PRO  89           HB1      PRO  89 -41.868 -18.008 -30.607
  676    HG2  PRO  89           HG2      PRO  89 -44.410 -18.697 -29.191
  677    HG3  PRO  89           HG1      PRO  89 -42.746 -19.207 -28.838
  678    HD2  PRO  89           HD2      PRO  89 -43.964 -17.215 -27.429
  679    HD3  PRO  89           HD1      PRO  89 -42.215 -17.221 -27.737
  680    H    SER  90           HN       SER  90 -43.724 -15.863 -32.932
  681    HA   SER  90           HA       SER  90 -46.582 -16.290 -32.900
  682    HB2  SER  90           HB2      SER  90 -46.530 -14.018 -32.053
  683    HB3  SER  90           HB1      SER  90 -45.436 -13.527 -33.343
  684    HG   SER  90           HG       SER  90 -47.088 -13.357 -34.625
  685    H    GLY  91           HN       GLY  91 -47.494 -15.674 -35.118
  686    HA2  GLY  91           HA2      GLY  91 -47.425 -15.779 -37.426
  687    HA3  GLY  91           HA1      GLY  91 -45.676 -15.576 -37.338
  688    H    GLY  92           HN       GLY  92 -44.451 -17.557 -36.553
  689    HA2  GLY  92           HA2      GLY  92 -45.236 -19.797 -38.170
  690    HA3  GLY  92           HA1      GLY  92 -43.793 -19.691 -37.161
  691    H    GLN  93           HN       GLN  93 -47.075 -19.157 -36.049
  692    HA   GLN  93           HA       GLN  93 -48.078 -20.049 -34.153
  693    HB2  GLN  93           HB2      GLN  93 -48.673 -22.531 -34.641
  694    HB3  GLN  93           HB1      GLN  93 -49.256 -21.291 -35.752
  695    HG2  GLN  93           HG2      GLN  93 -47.427 -21.749 -37.294
  696    HG3  GLN  93           HG1      GLN  93 -46.718 -22.898 -36.168
  697   HE21  GLN  93          HE21      GLN  93 -48.125 -24.856 -35.640
  698   HE22  GLN  93          HE22      GLN  93 -49.156 -25.439 -36.864
  699    H    TYR  94           HN       TYR  94 -46.979 -23.231 -34.432
  700    HA   TYR  94           HA       TYR  94 -44.684 -22.936 -32.664
  701    HB2  TYR  94           HB2      TYR  94 -46.751 -22.838 -31.203
  702    HB3  TYR  94           HB1      TYR  94 -47.076 -24.494 -31.699
  703    HD1  TYR  94           HD1      TYR  94 -44.448 -22.319 -30.201
  704    HD2  TYR  94           HD2      TYR  94 -45.992 -26.297 -30.626
  705    HE1  TYR  94           HE1      TYR  94 -42.827 -23.128 -28.511
  706    HE2  TYR  94           HE2      TYR  94 -44.374 -27.111 -28.935
  707    HH   TYR  94           HH       TYR  94 -43.058 -25.734 -26.844
  708    H    LYS  95           HN       LYS  95 -43.260 -24.250 -33.660
  709    HA   LYS  95           HA       LYS  95 -43.976 -27.041 -34.094
  710    HB2  LYS  95           HB2      LYS  95 -44.719 -25.897 -36.168
  711    HB3  LYS  95           HB1      LYS  95 -43.077 -25.313 -36.408
  712    HG2  LYS  95           HG2      LYS  95 -43.383 -27.292 -37.768
  713    HG3  LYS  95           HG1      LYS  95 -42.296 -27.702 -36.444
  714    HD2  LYS  95           HD2      LYS  95 -43.918 -28.959 -35.312
  715    HD3  LYS  95           HD1      LYS  95 -45.257 -28.161 -36.143
  716    HE2  LYS  95           HE2      LYS  95 -44.633 -29.275 -38.239
  717    HE3  LYS  95           HE1      LYS  95 -43.268 -30.040 -37.429
  718    HZ1  LYS  95           HZ1      LYS  95 -44.713 -31.286 -36.063
  719    HZ2  LYS  95           HZ2      LYS  95 -45.357 -31.415 -37.630
  720    HZ3  LYS  95           HZ3      LYS  95 -46.068 -30.363 -36.501
  721    H    ILE  96           HN       ILE  96 -42.293 -28.369 -33.839
  722    HA   ILE  96           HA       ILE  96 -39.543 -27.277 -33.928
  723    HB   ILE  96           HB       ILE  96 -39.945 -27.232 -31.624
  724   HG12  ILE  96          HG12      ILE  96 -38.949 -30.067 -31.896
  725   HG13  ILE  96          HG11      ILE  96 -37.956 -28.698 -32.385
  726   HG21  ILE  96          HG21      ILE  96 -42.144 -28.371 -31.681
  727   HG22  ILE  96          HG22      ILE  96 -41.122 -29.025 -30.402
  728   HG23  ILE  96          HG23      ILE  96 -41.319 -29.913 -31.911
  729   HD11  ILE  96          HD11      ILE  96 -37.405 -29.280 -30.089
  730   HD12  ILE  96          HD12      ILE  96 -39.105 -29.206 -29.628
  731   HD13  ILE  96          HD13      ILE  96 -38.252 -27.733 -30.087
  732    H    GLN  97           HN       GLN  97 -37.981 -28.667 -34.495
  733    HA   GLN  97           HA       GLN  97 -38.762 -31.422 -35.116
  734    HB2  GLN  97           HB2      GLN  97 -37.608 -29.366 -36.914
  735    HB3  GLN  97           HB1      GLN  97 -36.835 -30.948 -37.008
  736    HG2  GLN  97           HG2      GLN  97 -39.831 -30.542 -37.188
  737    HG3  GLN  97           HG1      GLN  97 -38.784 -30.659 -38.596
  738   HE21  GLN  97          HE21      GLN  97 -37.564 -32.543 -36.042
  739   HE22  GLN  97          HE22      GLN  97 -38.186 -34.048 -36.543
  740    H    ILE  98           HN       ILE  98 -37.446 -32.945 -34.370
  741    HA   ILE  98           HA       ILE  98 -34.900 -32.073 -33.100
  742    HB   ILE  98           HB       ILE  98 -36.543 -34.449 -32.201
  743   HG12  ILE  98          HG12      ILE  98 -36.861 -31.572 -31.293
  744   HG13  ILE  98          HG11      ILE  98 -38.055 -32.483 -32.221
  745   HG21  ILE  98          HG21      ILE  98 -34.639 -32.557 -30.798
  746   HG22  ILE  98          HG22      ILE  98 -34.227 -34.171 -31.378
  747   HG23  ILE  98          HG23      ILE  98 -35.399 -33.974 -30.075
  748   HD11  ILE  98          HD11      ILE  98 -37.290 -32.751 -29.345
  749   HD12  ILE  98          HD12      ILE  98 -37.778 -34.214 -30.204
  750   HD13  ILE  98          HD13      ILE  98 -38.879 -32.842 -30.097
  751    H    PHE  99           HN       PHE  99 -33.090 -33.140 -33.684
  752    HA   PHE  99           HA       PHE  99 -33.381 -35.579 -35.365
  753    HB2  PHE  99           HB2      PHE  99 -31.354 -33.340 -35.368
  754    HB3  PHE  99           HB1      PHE  99 -31.014 -34.899 -36.120
  755    HD1  PHE  99           HD1      PHE  99 -33.483 -32.096 -36.084
  756    HD2  PHE  99           HD2      PHE  99 -31.839 -35.400 -38.284
  757    HE1  PHE  99           HE1      PHE  99 -34.766 -31.398 -38.087
  758    HE2  PHE  99           HE2      PHE  99 -33.119 -34.699 -40.290
  759    HZ   PHE  99           HZ       PHE  99 -34.578 -32.697 -40.193
  760    H    GLU 100           HN       GLU 100 -32.637 -37.403 -34.579
  761    HA   GLU 100           HA       GLU 100 -31.620 -37.712 -31.993
  762    HB2  GLU 100           HB2      GLU 100 -32.718 -39.525 -33.227
  763    HB3  GLU 100           HB1      GLU 100 -31.363 -39.587 -34.356
  764    HG2  GLU 100           HG2      GLU 100 -29.841 -40.223 -32.553
  765    HG3  GLU 100           HG1      GLU 100 -31.132 -40.047 -31.366
  766    H    LYS 101           HN       LYS 101 -30.010 -36.974 -34.973
  767    HA   LYS 101           HA       LYS 101 -27.375 -37.194 -33.613
  768    HB2  LYS 101           HB2      LYS 101 -27.991 -37.609 -36.538
  769    HB3  LYS 101           HB1      LYS 101 -26.417 -37.780 -35.765
  770    HG2  LYS 101           HG2      LYS 101 -27.231 -39.635 -34.428
  771    HG3  LYS 101           HG1      LYS 101 -28.869 -39.411 -35.039
  772    HD2  LYS 101           HD2      LYS 101 -28.083 -39.899 -37.326
  773    HD3  LYS 101           HD1      LYS 101 -26.450 -40.147 -36.708
  774    HE2  LYS 101           HE2      LYS 101 -27.344 -42.328 -36.836
  775    HE3  LYS 101           HE1      LYS 101 -27.517 -41.901 -35.133
  776    HZ1  LYS 101           HZ1      LYS 101 -29.548 -42.294 -37.163
  777    HZ2  LYS 101           HZ2      LYS 101 -29.799 -40.966 -36.136
  778    HZ3  LYS 101           HZ3      LYS 101 -29.630 -42.523 -35.485
  779    H    GLY 102           HN       GLY 102 -25.927 -35.530 -33.987
  780    HA2  GLY 102           HA2      GLY 102 -26.960 -32.967 -34.395
  781    HA3  GLY 102           HA1      GLY 102 -25.253 -33.371 -34.446
  782    H    ASP 103           HN       ASP 103 -25.365 -31.619 -36.138
  783    HA   ASP 103           HA       ASP 103 -25.498 -30.898 -38.328
  784    HB2  ASP 103           HB2      ASP 103 -24.289 -32.311 -39.841
  785    HB3  ASP 103           HB1      ASP 103 -23.578 -32.541 -38.243
  786    H    PHE 104           HN       PHE 104 -27.983 -32.047 -37.238
  787    HA   PHE 104           HA       PHE 104 -30.074 -32.688 -37.935
  788    HB2  PHE 104           HB2      PHE 104 -29.204 -31.864 -40.703
  789    HB3  PHE 104           HB1      PHE 104 -30.818 -31.803 -39.994
  790    HD1  PHE 104           HD2      PHE 104 -30.983 -30.421 -37.737
  791    HD2  PHE 104           HD1      PHE 104 -27.956 -29.882 -40.734
  792    HE1  PHE 104           HE2      PHE 104 -30.549 -28.139 -36.886
  793    HE2  PHE 104           HE1      PHE 104 -27.514 -27.600 -39.878
  794    HZ   PHE 104           HZ       PHE 104 -28.799 -26.729 -37.953
  795    H    SER 105           HN       SER 105 -29.536 -34.935 -37.551
  796    HA   SER 105           HA       SER 105 -29.941 -36.536 -39.922
  797    HB2  SER 105           HB2      SER 105 -27.316 -36.545 -38.460
  798    HB3  SER 105           HB1      SER 105 -27.904 -38.024 -39.216
  799    HG   SER 105           HG       SER 105 -27.443 -37.194 -41.091
  800    H    GLY 106           HN       GLY 106 -30.144 -38.843 -39.354
  801    HA2  GLY 106           HA2      GLY 106 -30.747 -40.602 -37.932
  802    HA3  GLY 106           HA1      GLY 106 -30.653 -39.493 -36.572
  803    H    GLN 107           HN       GLN 107 -32.646 -40.371 -35.801
  804    HA   GLN 107           HA       GLN 107 -35.033 -40.323 -37.303
  805    HB2  GLN 107           HB2      GLN 107 -34.755 -41.710 -35.287
  806    HB3  GLN 107           HB1      GLN 107 -34.652 -40.254 -34.302
  807    HG2  GLN 107           HG2      GLN 107 -36.908 -41.237 -34.232
  808    HG3  GLN 107           HG1      GLN 107 -36.931 -39.626 -34.954
  809   HE21  GLN 107          HE21      GLN 107 -38.748 -39.949 -36.308
  810   HE22  GLN 107          HE22      GLN 107 -38.773 -41.061 -37.591
  811    H    MET 108           HN       MET 108 -36.557 -38.799 -37.590
  812    HA   MET 108           HA       MET 108 -36.049 -36.119 -36.435
  813    HB2  MET 108           HB2      MET 108 -35.532 -36.267 -38.853
  814    HB3  MET 108           HB1      MET 108 -37.186 -36.803 -39.151
  815    HG2  MET 108           HG2      MET 108 -38.044 -34.733 -38.220
  816    HG3  MET 108           HG1      MET 108 -36.416 -34.176 -37.848
  817    HE1  MET 108           HE1      MET 108 -39.220 -33.617 -40.419
  818    HE2  MET 108           HE2      MET 108 -38.919 -35.348 -40.293
  819    HE3  MET 108           HE3      MET 108 -38.605 -34.514 -41.813
  820    H    TYR 109           HN       TYR 109 -37.648 -35.430 -35.101
  821    HA   TYR 109           HA       TYR 109 -40.375 -36.502 -35.550
  822    HB2  TYR 109           HB2      TYR 109 -38.921 -35.800 -33.010
  823    HB3  TYR 109           HB1      TYR 109 -40.666 -35.994 -33.100
  824    HD1  TYR 109           HD2      TYR 109 -41.433 -38.228 -34.429
  825    HD2  TYR 109           HD1      TYR 109 -37.683 -37.688 -32.395
  826    HE1  TYR 109           HE2      TYR 109 -41.185 -40.686 -34.232
  827    HE2  TYR 109           HE1      TYR 109 -37.446 -40.150 -32.193
  828    HH   TYR 109           HH       TYR 109 -39.977 -42.351 -33.394
  829    H    GLU 110           HN       GLU 110 -41.953 -35.102 -35.823
  830    HA   GLU 110           HA       GLU 110 -41.464 -32.219 -35.385
  831    HB2  GLU 110           HB2      GLU 110 -43.447 -32.295 -37.284
  832    HB3  GLU 110           HB1      GLU 110 -41.738 -32.137 -37.672
  833    HG2  GLU 110           HG2      GLU 110 -41.554 -34.536 -37.985
  834    HG3  GLU 110           HG1      GLU 110 -43.207 -34.764 -37.411
  835    H    THR 111           HN       THR 111 -42.731 -31.436 -33.799
  836    HA   THR 111           HA       THR 111 -45.523 -32.317 -33.606
  837    HB   THR 111           HB       THR 111 -44.100 -33.773 -32.077
  838    HG1  THR 111           HG1      THR 111 -46.305 -33.462 -31.711
  839   HG21  THR 111          HG21      THR 111 -42.624 -31.785 -31.414
  840   HG22  THR 111          HG22      THR 111 -43.159 -32.829 -30.101
  841   HG23  THR 111          HG23      THR 111 -43.954 -31.283 -30.371
  842    H    THR 112           HN       THR 112 -46.815 -30.598 -33.305
  843    HA   THR 112           HA       THR 112 -45.582 -28.029 -32.561
  844    HB   THR 112           HB       THR 112 -46.850 -27.815 -34.519
  845    HG1  THR 112           HG1      THR 112 -48.929 -26.832 -33.499
  846   HG21  THR 112          HG21      THR 112 -48.977 -29.425 -33.109
  847   HG22  THR 112          HG22      THR 112 -48.042 -29.899 -34.529
  848   HG23  THR 112          HG23      THR 112 -49.230 -28.599 -34.646
  849    H    GLU 113           HN       GLU 113 -45.852 -29.862 -30.466
  850    HA   GLU 113           HA       GLU 113 -47.693 -28.377 -28.703
  851    HB2  GLU 113           HB2      GLU 113 -48.196 -30.678 -27.607
  852    HB3  GLU 113           HB1      GLU 113 -49.049 -30.257 -29.097
  853    HG2  GLU 113           HG2      GLU 113 -47.466 -31.548 -30.421
  854    HG3  GLU 113           HG1      GLU 113 -46.497 -31.888 -28.989
  855    H    ASP 114           HN       ASP 114 -47.299 -29.286 -26.331
  856    HA   ASP 114           HA       ASP 114 -44.458 -28.922 -25.808
  857    HB2  ASP 114           HB2      ASP 114 -45.195 -29.103 -23.411
  858    HB3  ASP 114           HB1      ASP 114 -45.951 -27.794 -24.311
  859    H    CYS 115           HN       CYS 115 -43.264 -30.391 -24.485
  860    HA   CYS 115           HA       CYS 115 -44.230 -33.175 -24.540
  861    HB2  CYS 115           HB2      CYS 115 -42.684 -32.736 -26.429
  862    HB3  CYS 115           HB1      CYS 115 -41.445 -32.286 -25.266
  863    HG   CYS 115           HG       CYS 115 -41.395 -34.719 -24.382
  864    HA   PRO 116           HA       PRO 116 -42.615 -32.581 -20.335
  865    HB2  PRO 116           HB2      PRO 116 -43.480 -34.930 -19.232
  866    HB3  PRO 116           HB1      PRO 116 -44.572 -33.564 -19.544
  867    HG2  PRO 116           HG2      PRO 116 -44.165 -36.056 -21.130
  868    HG3  PRO 116           HG1      PRO 116 -45.667 -35.189 -20.771
  869    HD2  PRO 116           HD2      PRO 116 -44.303 -34.995 -23.173
  870    HD3  PRO 116           HD1      PRO 116 -45.384 -33.725 -22.550
  871    H    SER 117           HN       SER 117 -42.426 -35.926 -21.593
  872    HA   SER 117           HA       SER 117 -39.520 -35.984 -20.928
  873    HB2  SER 117           HB2      SER 117 -41.564 -38.214 -20.966
  874    HB3  SER 117           HB1      SER 117 -39.824 -38.488 -20.865
  875    HG   SER 117           HG       SER 117 -40.187 -38.242 -18.801
  876    H    ILE 118           HN       ILE 118 -38.302 -35.812 -22.711
  877    HA   ILE 118           HA       ILE 118 -39.377 -36.172 -25.315
  878    HB   ILE 118           HB       ILE 118 -37.339 -34.741 -24.333
  879   HG12  ILE 118          HG12      ILE 118 -37.384 -35.806 -27.168
  880   HG13  ILE 118          HG11      ILE 118 -38.397 -34.499 -26.566
  881   HG21  ILE 118          HG21      ILE 118 -35.930 -36.713 -23.856
  882   HG22  ILE 118          HG22      ILE 118 -35.178 -35.605 -24.999
  883   HG23  ILE 118          HG23      ILE 118 -35.913 -37.093 -25.579
  884   HD11  ILE 118          HD11      ILE 118 -35.445 -34.214 -26.199
  885   HD12  ILE 118          HD12      ILE 118 -36.678 -32.994 -26.517
  886   HD13  ILE 118          HD13      ILE 118 -36.106 -34.023 -27.817
  887    H    MET 119           HN       MET 119 -37.106 -38.050 -23.366
  888    HA   MET 119           HA       MET 119 -36.605 -40.051 -25.269
  889    HB2  MET 119           HB2      MET 119 -35.226 -39.617 -23.247
  890    HB3  MET 119           HB1      MET 119 -36.531 -40.289 -22.266
  891    HG2  MET 119           HG2      MET 119 -36.339 -42.435 -23.337
  892    HG3  MET 119           HG1      MET 119 -35.213 -41.795 -24.531
  893    HE1  MET 119           HE1      MET 119 -34.718 -44.386 -22.891
  894    HE2  MET 119           HE2      MET 119 -33.005 -44.204 -22.516
  895    HE3  MET 119           HE3      MET 119 -33.611 -43.712 -24.095
  896    H    GLU 120           HN       GLU 120 -39.315 -39.481 -23.219
  897    HA   GLU 120           HA       GLU 120 -40.228 -42.173 -23.065
  898    HB2  GLU 120           HB2      GLU 120 -40.917 -40.417 -21.495
  899    HB3  GLU 120           HB1      GLU 120 -41.772 -39.597 -22.801
  900    HG2  GLU 120           HG2      GLU 120 -43.383 -40.888 -21.569
  901    HG3  GLU 120           HG1      GLU 120 -43.144 -41.712 -23.099
  902    H    GLN 121           HN       GLN 121 -41.138 -39.420 -25.131
  903    HA   GLN 121           HA       GLN 121 -42.803 -41.231 -26.738
  904    HB2  GLN 121           HB2      GLN 121 -43.889 -39.266 -27.571
  905    HB3  GLN 121           HB1      GLN 121 -43.822 -39.198 -25.819
  906    HG2  GLN 121           HG2      GLN 121 -42.631 -37.261 -25.843
  907    HG3  GLN 121           HG1      GLN 121 -41.459 -37.914 -26.986
  908   HE21  GLN 121          HE21      GLN 121 -43.084 -35.239 -26.841
  909   HE22  GLN 121          HE22      GLN 121 -43.713 -35.091 -28.411
  910    H    PHE 122           HN       PHE 122 -39.829 -39.414 -26.920
  911    HA   PHE 122           HA       PHE 122 -39.691 -40.013 -29.820
  912    HB2  PHE 122           HB2      PHE 122 -38.285 -37.870 -28.225
  913    HB3  PHE 122           HB1      PHE 122 -37.959 -38.225 -29.918
  914    HD1  PHE 122           HD2      PHE 122 -40.525 -38.607 -31.202
  915    HD2  PHE 122           HD1      PHE 122 -39.507 -35.885 -28.035
  916    HE1  PHE 122           HE2      PHE 122 -42.388 -37.134 -31.857
  917    HE2  PHE 122           HE1      PHE 122 -41.370 -34.409 -28.711
  918    HZ   PHE 122           HZ       PHE 122 -42.811 -35.045 -30.624
  919    H    HIS 123           HN       HIS 123 -38.676 -41.154 -26.925
  920    HA   HIS 123           HA       HIS 123 -36.984 -42.589 -26.299
  921    HB2  HIS 123           HB2      HIS 123 -36.950 -43.063 -29.278
  922    HB3  HIS 123           HB1      HIS 123 -36.140 -44.084 -28.088
  923    HD2  HIS 123           HD2      HIS 123 -38.684 -45.430 -29.708
  924    HE1  HIS 123           HE1      HIS 123 -40.830 -44.784 -26.129
  925    HE2  HIS 123           HE2      HIS 123 -40.807 -46.063 -28.324
  926    H    MET 124           HN       MET 124 -36.385 -39.748 -27.530
  927    HA   MET 124           HA       MET 124 -33.613 -40.012 -28.300
  928    HB2  MET 124           HB2      MET 124 -35.434 -37.664 -27.781
  929    HB3  MET 124           HB1      MET 124 -33.713 -37.475 -28.105
  930    HG2  MET 124           HG2      MET 124 -33.944 -38.593 -30.248
  931    HG3  MET 124           HG1      MET 124 -35.640 -38.944 -29.917
  932    HE1  MET 124           HE1      MET 124 -35.514 -36.455 -32.817
  933    HE2  MET 124           HE2      MET 124 -34.867 -38.022 -32.341
  934    HE3  MET 124           HE3      MET 124 -33.825 -36.603 -32.319
  935    H    ARG 125           HN       ARG 125 -31.886 -39.871 -26.996
  936    HA   ARG 125           HA       ARG 125 -32.373 -39.405 -24.121
  937    HB2  ARG 125           HB2      ARG 125 -30.034 -40.538 -24.016
  938    HB3  ARG 125           HB1      ARG 125 -31.444 -41.539 -24.349
  939    HG2  ARG 125           HG2      ARG 125 -30.986 -41.528 -26.718
  940    HG3  ARG 125           HG1      ARG 125 -29.705 -40.330 -26.514
  941    HD2  ARG 125           HD2      ARG 125 -28.719 -42.557 -26.745
  942    HD3  ARG 125           HD1      ARG 125 -28.443 -41.947 -25.116
  943    HE   ARG 125           HE       ARG 125 -30.829 -43.567 -25.377
  944   HH11  ARG 125          HH21      ARG 125 -27.417 -43.472 -24.815
  945   HH12  ARG 125          HH22      ARG 125 -27.375 -44.979 -23.963
  946   HH21  ARG 125          HH11      ARG 125 -30.783 -45.544 -24.259
  947   HH22  ARG 125          HH12      ARG 125 -29.281 -46.152 -23.648
  948    H    GLU 126           HN       GLU 126 -30.644 -38.258 -26.940
  949    HA   GLU 126           HA       GLU 126 -29.707 -35.976 -25.403
  950    HB2  GLU 126           HB2      GLU 126 -27.672 -37.571 -26.961
  951    HB3  GLU 126           HB1      GLU 126 -27.382 -36.149 -25.978
  952    HG2  GLU 126           HG2      GLU 126 -28.104 -37.430 -23.968
  953    HG3  GLU 126           HG1      GLU 126 -28.281 -38.859 -24.980
  954    H    ILE 127           HN       ILE 127 -30.587 -34.439 -26.578
  955    HA   ILE 127           HA       ILE 127 -30.909 -34.624 -29.432
  956    HB   ILE 127           HB       ILE 127 -31.211 -32.120 -27.765
  957   HG12  ILE 127          HG12      ILE 127 -32.568 -33.685 -26.586
  958   HG13  ILE 127          HG11      ILE 127 -33.685 -32.880 -27.691
  959   HG21  ILE 127          HG21      ILE 127 -32.967 -31.663 -29.487
  960   HG22  ILE 127          HG22      ILE 127 -32.435 -33.109 -30.342
  961   HG23  ILE 127          HG23      ILE 127 -31.342 -31.751 -30.145
  962   HD11  ILE 127          HD11      ILE 127 -32.438 -35.613 -28.003
  963   HD12  ILE 127          HD12      ILE 127 -33.267 -34.787 -29.320
  964   HD13  ILE 127          HD13      ILE 127 -34.145 -35.220 -27.855
  965    H    HIS 128           HN       HIS 128 -29.534 -34.130 -30.941
  966    HA   HIS 128           HA       HIS 128 -27.060 -32.696 -30.237
  967    HB2  HIS 128           HB2      HIS 128 -27.724 -34.541 -32.516
  968    HB3  HIS 128           HB1      HIS 128 -26.146 -33.800 -32.244
  969    HD2  HIS 128           HD2      HIS 128 -24.670 -34.960 -30.100
  970    HE1  HIS 128           HE1      HIS 128 -27.492 -37.962 -29.212
  971    HE2  HIS 128           HE2      HIS 128 -25.134 -37.138 -28.741
  972    H    SER 129           HN       SER 129 -29.767 -32.714 -32.493
  973    HA   SER 129           HA       SER 129 -29.214 -29.930 -33.131
  974    HB2  SER 129           HB2      SER 129 -29.286 -30.422 -35.612
  975    HB3  SER 129           HB1      SER 129 -27.808 -30.883 -34.787
  976    HG   SER 129           HG       SER 129 -28.864 -32.479 -36.248
  977    H    CYS 130           HN       CYS 130 -30.976 -28.860 -34.064
  978    HA   CYS 130           HA       CYS 130 -33.461 -30.364 -34.493
  979    HB2  CYS 130           HB2      CYS 130 -33.977 -29.893 -32.292
  980    HB3  CYS 130           HB1      CYS 130 -32.897 -28.504 -32.227
  981    HG   CYS 130           HG       CYS 130 -35.742 -28.143 -32.443
  982    H    LYS 131           HN       LYS 131 -35.088 -29.114 -35.578
  983    HA   LYS 131           HA       LYS 131 -34.133 -26.644 -36.900
  984    HB2  LYS 131           HB2      LYS 131 -35.281 -29.110 -38.220
  985    HB3  LYS 131           HB1      LYS 131 -35.200 -27.534 -39.009
  986    HG2  LYS 131           HG2      LYS 131 -32.780 -27.481 -38.772
  987    HG3  LYS 131           HG1      LYS 131 -32.809 -28.970 -37.828
  988    HD2  LYS 131           HD2      LYS 131 -32.166 -29.399 -40.185
  989    HD3  LYS 131           HD1      LYS 131 -33.674 -30.209 -39.768
  990    HE2  LYS 131           HE2      LYS 131 -34.979 -28.695 -41.001
  991    HE3  LYS 131           HE1      LYS 131 -33.722 -27.453 -40.991
  992    HZ1  LYS 131           HZ1      LYS 131 -32.392 -28.803 -42.456
  993    HZ2  LYS 131           HZ2      LYS 131 -33.928 -28.570 -43.146
  994    HZ3  LYS 131           HZ3      LYS 131 -33.539 -30.054 -42.414
  995    H    VAL 132           HN       VAL 132 -36.114 -25.856 -38.338
  996    HA   VAL 132           HA       VAL 132 -38.151 -24.804 -38.254
  997    HB   VAL 132           HB       VAL 132 -39.080 -27.263 -36.760
  998   HG11  VAL 132          HG11      VAL 132 -41.142 -26.750 -38.203
  999   HG12  VAL 132          HG12      VAL 132 -40.392 -25.194 -38.536
 1000   HG13  VAL 132          HG13      VAL 132 -40.809 -25.634 -36.881
 1001   HG21  VAL 132          HG21      VAL 132 -39.460 -28.282 -38.967
 1002   HG22  VAL 132          HG22      VAL 132 -37.749 -27.919 -38.749
 1003   HG23  VAL 132          HG23      VAL 132 -38.753 -26.872 -39.752
 1004    H    LEU 133           HN       LEU 133 -37.220 -23.252 -36.775
 1005    HA   LEU 133           HA       LEU 133 -37.949 -23.554 -33.935
 1006    HB2  LEU 133           HB2      LEU 133 -36.383 -21.287 -35.174
 1007    HB3  LEU 133           HB1      LEU 133 -36.445 -21.777 -33.481
 1008    HG   LEU 133           HG       LEU 133 -34.360 -22.587 -34.337
 1009   HD11  LEU 133          HD11      LEU 133 -35.851 -24.154 -32.956
 1010   HD12  LEU 133          HD12      LEU 133 -34.526 -24.904 -33.847
 1011   HD13  LEU 133          HD13      LEU 133 -36.175 -25.002 -34.467
 1012   HD21  LEU 133          HD21      LEU 133 -35.458 -24.355 -36.466
 1013   HD22  LEU 133          HD22      LEU 133 -34.008 -23.371 -36.458
 1014   HD23  LEU 133          HD23      LEU 133 -35.548 -22.634 -36.830
 1015    H    GLU 134           HN       GLU 134 -38.838 -21.564 -32.875
 1016    HA   GLU 134           HA       GLU 134 -40.518 -19.914 -34.643
 1017    HB2  GLU 134           HB2      GLU 134 -41.457 -21.968 -32.719
 1018    HB3  GLU 134           HB1      GLU 134 -42.262 -20.410 -32.568
 1019    HG2  GLU 134           HG2      GLU 134 -43.497 -21.756 -34.127
 1020    HG3  GLU 134           HG1      GLU 134 -42.722 -20.470 -35.035
 1021    H    GLY 135           HN       GLY 135 -39.908 -17.913 -34.197
 1022    HA2  GLY 135           HA2      GLY 135 -39.016 -16.115 -33.025
 1023    HA3  GLY 135           HA1      GLY 135 -40.410 -16.435 -32.001
 1024    H    VAL 136           HN       VAL 136 -40.152 -17.655 -30.109
 1025    HA   VAL 136           HA       VAL 136 -37.361 -17.925 -29.136
 1026    HB   VAL 136           HB       VAL 136 -39.779 -17.342 -27.453
 1027   HG11  VAL 136          HG11      VAL 136 -37.675 -18.282 -26.401
 1028   HG12  VAL 136          HG12      VAL 136 -38.153 -16.705 -25.789
 1029   HG13  VAL 136          HG13      VAL 136 -36.836 -16.836 -26.954
 1030   HG21  VAL 136          HG21      VAL 136 -38.839 -14.983 -27.462
 1031   HG22  VAL 136          HG22      VAL 136 -39.645 -15.489 -28.940
 1032   HG23  VAL 136          HG23      VAL 136 -37.884 -15.463 -28.858
 1033    H    TRP 137           HN       TRP 137 -36.976 -19.645 -27.653
 1034    HA   TRP 137           HA       TRP 137 -39.051 -21.723 -27.446
 1035    HB2  TRP 137           HB2      TRP 137 -37.527 -22.006 -29.525
 1036    HB3  TRP 137           HB1      TRP 137 -36.261 -22.423 -28.367
 1037    HD1  TRP 137           HD1      TRP 137 -36.468 -24.648 -27.067
 1038    HE1  TRP 137           HE1      TRP 137 -37.983 -26.727 -27.343
 1039    HE3  TRP 137           HE3      TRP 137 -39.922 -22.748 -30.271
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.372 -27.455 -28.758
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.805 -24.139 -31.073
 1042    HH2  TRP 137           HH2      TRP 137 -42.032 -26.486 -30.318
 1043    H    ILE 138           HN       ILE 138 -38.218 -23.566 -26.005
 1044    HA   ILE 138           HA       ILE 138 -36.187 -22.718 -24.052
 1045    HB   ILE 138           HB       ILE 138 -39.058 -23.325 -23.294
 1046   HG12  ILE 138          HG12      ILE 138 -37.293 -20.919 -22.714
 1047   HG13  ILE 138          HG11      ILE 138 -38.516 -20.973 -23.975
 1048   HG21  ILE 138          HG21      ILE 138 -37.621 -24.483 -21.713
 1049   HG22  ILE 138          HG22      ILE 138 -38.211 -23.025 -20.938
 1050   HG23  ILE 138          HG23      ILE 138 -36.568 -23.076 -21.571
 1051   HD11  ILE 138          HD11      ILE 138 -39.704 -19.986 -22.232
 1052   HD12  ILE 138          HD12      ILE 138 -38.888 -20.948 -21.002
 1053   HD13  ILE 138          HD13      ILE 138 -40.127 -21.686 -22.021
 1054    H    PHE 139           HN       PHE 139 -34.888 -24.372 -23.644
 1055    HA   PHE 139           HA       PHE 139 -35.924 -27.144 -23.903
 1056    HB2  PHE 139           HB2      PHE 139 -33.412 -25.821 -24.758
 1057    HB3  PHE 139           HB1      PHE 139 -33.145 -27.335 -23.899
 1058    HD1  PHE 139           HD1      PHE 139 -36.118 -26.573 -26.025
 1059    HD2  PHE 139           HD2      PHE 139 -32.384 -28.671 -25.729
 1060    HE1  PHE 139           HE1      PHE 139 -36.691 -27.851 -28.051
 1061    HE2  PHE 139           HE2      PHE 139 -32.961 -29.962 -27.763
 1062    HZ   PHE 139           HZ       PHE 139 -35.110 -29.555 -28.927
 1063    H    TYR 140           HN       TYR 140 -35.994 -28.363 -22.202
 1064    HA   TYR 140           HA       TYR 140 -34.842 -27.310 -19.680
 1065    HB2  TYR 140           HB2      TYR 140 -37.285 -28.909 -20.402
 1066    HB3  TYR 140           HB1      TYR 140 -36.602 -29.098 -18.802
 1067    HD1  TYR 140           HD2      TYR 140 -36.128 -26.947 -17.449
 1068    HD2  TYR 140           HD1      TYR 140 -38.701 -27.083 -20.875
 1069    HE1  TYR 140           HE2      TYR 140 -37.201 -24.837 -16.723
 1070    HE2  TYR 140           HE1      TYR 140 -39.779 -24.974 -20.157
 1071    HH   TYR 140           HH       TYR 140 -39.515 -23.729 -17.106
 1072    H    GLU 141           HN       GLU 141 -32.939 -28.248 -19.260
 1073    HA   GLU 141           HA       GLU 141 -31.891 -30.544 -20.294
 1074    HB2  GLU 141           HB2      GLU 141 -30.722 -28.830 -18.850
 1075    HB3  GLU 141           HB1      GLU 141 -31.403 -29.659 -17.450
 1076    HG2  GLU 141           HG2      GLU 141 -30.322 -31.764 -18.174
 1077    HG3  GLU 141           HG1      GLU 141 -29.639 -30.924 -19.563
 1078    H    LEU 142           HN       LEU 142 -34.360 -30.266 -17.884
 1079    HA   LEU 142           HA       LEU 142 -34.263 -33.192 -17.426
 1080    HB2  LEU 142           HB2      LEU 142 -34.678 -30.908 -15.581
 1081    HB3  LEU 142           HB1      LEU 142 -35.766 -32.254 -15.323
 1082    HG   LEU 142           HG       LEU 142 -33.854 -33.782 -15.128
 1083   HD11  LEU 142          HD11      LEU 142 -31.553 -32.545 -14.897
 1084   HD12  LEU 142          HD12      LEU 142 -32.328 -31.289 -15.859
 1085   HD13  LEU 142          HD13      LEU 142 -32.165 -32.920 -16.504
 1086   HD21  LEU 142          HD21      LEU 142 -33.738 -31.283 -13.416
 1087   HD22  LEU 142          HD22      LEU 142 -32.854 -32.762 -13.036
 1088   HD23  LEU 142          HD23      LEU 142 -34.617 -32.773 -13.074
 1089    HA   PRO 143           HA       PRO 143 -38.316 -33.370 -19.100
 1090    HB2  PRO 143           HB2      PRO 143 -39.406 -35.496 -17.809
 1091    HB3  PRO 143           HB1      PRO 143 -38.069 -35.676 -18.963
 1092    HG2  PRO 143           HG2      PRO 143 -38.004 -35.664 -15.980
 1093    HG3  PRO 143           HG1      PRO 143 -37.091 -36.662 -17.124
 1094    HD2  PRO 143           HD2      PRO 143 -36.058 -34.431 -15.858
 1095    HD3  PRO 143           HD1      PRO 143 -35.448 -35.074 -17.394
 1096    H    ASN 144           HN       ASN 144 -40.637 -33.288 -18.593
 1097    HA   ASN 144           HA       ASN 144 -42.480 -32.524 -17.470
 1098    HB2  ASN 144           HB2      ASN 144 -40.892 -32.241 -14.924
 1099    HB3  ASN 144           HB1      ASN 144 -42.599 -32.634 -15.139
 1100   HD21  ASN 144          HD21      ASN 144 -39.368 -33.980 -15.019
 1101   HD22  ASN 144          HD22      ASN 144 -39.834 -35.605 -15.182
 1102    H    TYR 145           HN       TYR 145 -40.009 -30.852 -18.463
 1103    HA   TYR 145           HA       TYR 145 -39.785 -28.619 -18.903
 1104    HB2  TYR 145           HB2      TYR 145 -41.932 -27.846 -16.954
 1105    HB3  TYR 145           HB1      TYR 145 -41.520 -27.137 -18.513
 1106    HD1  TYR 145           HD2      TYR 145 -41.636 -29.072 -20.511
 1107    HD2  TYR 145           HD1      TYR 145 -44.003 -28.927 -16.926
 1108    HE1  TYR 145           HE2      TYR 145 -43.397 -30.429 -21.618
 1109    HE2  TYR 145           HE1      TYR 145 -45.753 -30.296 -18.033
 1110    HH   TYR 145           HH       TYR 145 -46.417 -31.251 -19.918
 1111    H    ARG 146           HN       ARG 146 -38.576 -30.125 -16.600
 1112    HA   ARG 146           HA       ARG 146 -37.954 -27.870 -14.782
 1113    HB2  ARG 146           HB2      ARG 146 -37.705 -30.861 -14.397
 1114    HB3  ARG 146           HB1      ARG 146 -37.098 -29.661 -13.253
 1115    HG2  ARG 146           HG2      ARG 146 -39.373 -28.722 -13.029
 1116    HG3  ARG 146           HG1      ARG 146 -39.980 -29.928 -14.164
 1117    HD2  ARG 146           HD2      ARG 146 -38.580 -30.624 -11.573
 1118    HD3  ARG 146           HD1      ARG 146 -40.330 -30.514 -11.734
 1119    HE   ARG 146           HE       ARG 146 -39.371 -32.243 -13.736
 1120   HH11  ARG 146          HH21      ARG 146 -39.642 -31.998 -10.297
 1121   HH12  ARG 146          HH22      ARG 146 -39.762 -33.706 -10.043
 1122   HH21  ARG 146          HH11      ARG 146 -39.529 -34.488 -13.414
 1123   HH22  ARG 146          HH12      ARG 146 -39.698 -35.117 -11.809
 1124    H    GLY 147           HN       GLY 147 -35.673 -27.922 -13.923
 1125    HA2  GLY 147           HA2      GLY 147 -33.351 -28.325 -14.265
 1126    HA3  GLY 147           HA1      GLY 147 -33.705 -28.920 -15.883
 1127    H    ARG 148           HN       ARG 148 -31.672 -27.205 -15.577
 1128    HA   ARG 148           HA       ARG 148 -32.190 -24.462 -15.784
 1129    HB2  ARG 148           HB2      ARG 148 -30.020 -26.162 -17.038
 1130    HB3  ARG 148           HB1      ARG 148 -29.983 -24.397 -16.923
 1131    HG2  ARG 148           HG2      ARG 148 -29.858 -24.433 -14.560
 1132    HG3  ARG 148           HG1      ARG 148 -30.381 -26.116 -14.469
 1133    HD2  ARG 148           HD2      ARG 148 -28.311 -26.910 -15.331
 1134    HD3  ARG 148           HD1      ARG 148 -27.815 -25.301 -15.833
 1135    HE   ARG 148           HE       ARG 148 -27.150 -24.871 -13.639
 1136   HH11  ARG 148          HH21      ARG 148 -29.114 -27.706 -13.850
 1137   HH12  ARG 148          HH22      ARG 148 -28.798 -28.219 -12.226
 1138   HH21  ARG 148          HH11      ARG 148 -26.727 -25.531 -11.505
 1139   HH22  ARG 148          HH12      ARG 148 -27.445 -26.985 -10.898
 1140    H    GLN 149           HN       GLN 149 -32.670 -23.138 -17.508
 1141    HA   GLN 149           HA       GLN 149 -33.719 -24.470 -19.903
 1142    HB2  GLN 149           HB2      GLN 149 -34.102 -21.733 -18.737
 1143    HB3  GLN 149           HB1      GLN 149 -34.698 -22.174 -20.335
 1144    HG2  GLN 149           HG2      GLN 149 -36.107 -23.890 -19.417
 1145    HG3  GLN 149           HG1      GLN 149 -35.362 -23.732 -17.824
 1146   HE21  GLN 149          HE21      GLN 149 -36.040 -21.975 -16.470
 1147   HE22  GLN 149          HE22      GLN 149 -37.338 -20.955 -16.883
 1148    H    TYR 150           HN       TYR 150 -33.108 -23.872 -21.991
 1149    HA   TYR 150           HA       TYR 150 -30.578 -22.321 -22.199
 1150    HB2  TYR 150           HB2      TYR 150 -31.514 -24.756 -23.728
 1151    HB3  TYR 150           HB1      TYR 150 -30.168 -23.742 -24.253
 1152    HD1  TYR 150           HD2      TYR 150 -28.254 -23.334 -22.612
 1153    HD2  TYR 150           HD1      TYR 150 -31.183 -26.427 -22.078
 1154    HE1  TYR 150           HE2      TYR 150 -26.727 -24.509 -21.054
 1155    HE2  TYR 150           HE1      TYR 150 -29.655 -27.601 -20.520
 1156    HH   TYR 150           HH       TYR 150 -27.168 -26.245 -19.018
 1157    H    LEU 151           HN       LEU 151 -30.469 -20.726 -23.674
 1158    HA   LEU 151           HA       LEU 151 -32.419 -20.521 -25.820
 1159    HB2  LEU 151           HB2      LEU 151 -33.485 -19.463 -23.765
 1160    HB3  LEU 151           HB1      LEU 151 -32.186 -18.272 -23.813
 1161    HG   LEU 151           HG       LEU 151 -32.933 -17.977 -26.335
 1162   HD11  LEU 151          HD11      LEU 151 -35.185 -18.497 -26.838
 1163   HD12  LEU 151          HD12      LEU 151 -35.583 -18.810 -25.150
 1164   HD13  LEU 151          HD13      LEU 151 -34.585 -19.947 -26.044
 1165   HD21  LEU 151          HD21      LEU 151 -34.602 -16.263 -25.601
 1166   HD22  LEU 151          HD22      LEU 151 -33.099 -16.197 -24.681
 1167   HD23  LEU 151          HD23      LEU 151 -34.534 -16.942 -23.975
 1168    H    LEU 152           HN       LEU 152 -30.958 -20.336 -27.431
 1169    HA   LEU 152           HA       LEU 152 -29.321 -17.925 -27.473
 1170    HB2  LEU 152           HB2      LEU 152 -28.033 -20.007 -26.452
 1171    HB3  LEU 152           HB1      LEU 152 -27.897 -20.492 -28.138
 1172    HG   LEU 152           HG       LEU 152 -25.927 -19.204 -27.550
 1173   HD11  LEU 152          HD11      LEU 152 -27.144 -18.832 -29.791
 1174   HD12  LEU 152          HD12      LEU 152 -25.948 -17.628 -29.313
 1175   HD13  LEU 152          HD13      LEU 152 -27.666 -17.292 -29.109
 1176   HD21  LEU 152          HD21      LEU 152 -25.928 -17.318 -26.251
 1177   HD22  LEU 152          HD22      LEU 152 -27.537 -17.842 -25.769
 1178   HD23  LEU 152          HD23      LEU 152 -27.350 -16.639 -27.040
 1179    H    ASP 153           HN       ASP 153 -29.802 -17.028 -29.346
 1180    HA   ASP 153           HA       ASP 153 -30.390 -16.756 -31.551
 1181    HB2  ASP 153           HB2      ASP 153 -28.641 -19.215 -31.724
 1182    HB3  ASP 153           HB1      ASP 153 -29.255 -18.360 -33.137
 1183    H    LYS 154           HN       LYS 154 -31.605 -17.723 -33.382
 1184    HA   LYS 154           HA       LYS 154 -33.218 -20.086 -32.645
 1185    HB2  LYS 154           HB2      LYS 154 -35.269 -18.910 -33.335
 1186    HB3  LYS 154           HB1      LYS 154 -34.508 -18.115 -31.958
 1187    HG2  LYS 154           HG2      LYS 154 -33.407 -16.525 -33.537
 1188    HG3  LYS 154           HG1      LYS 154 -34.301 -17.272 -34.862
 1189    HD2  LYS 154           HD2      LYS 154 -36.428 -16.680 -33.786
 1190    HD3  LYS 154           HD1      LYS 154 -35.556 -15.965 -32.430
 1191    HE2  LYS 154           HE2      LYS 154 -36.247 -14.213 -34.005
 1192    HE3  LYS 154           HE1      LYS 154 -34.489 -14.353 -33.982
 1193    HZ1  LYS 154           HZ1      LYS 154 -34.691 -15.837 -35.940
 1194    HZ2  LYS 154           HZ2      LYS 154 -35.201 -14.245 -36.236
 1195    HZ3  LYS 154           HZ3      LYS 154 -36.347 -15.478 -36.003
 1196    H    LYS 155           HN       LYS 155 -31.122 -18.901 -34.746
 1197    HA   LYS 155           HA       LYS 155 -32.388 -19.147 -37.270
 1198    HB2  LYS 155           HB2      LYS 155 -29.497 -19.426 -36.430
 1199    HB3  LYS 155           HB1      LYS 155 -30.032 -19.447 -38.111
 1200    HG2  LYS 155           HG2      LYS 155 -31.036 -17.219 -37.831
 1201    HG3  LYS 155           HG1      LYS 155 -30.526 -17.195 -36.142
 1202    HD2  LYS 155           HD2      LYS 155 -28.171 -17.364 -36.842
 1203    HD3  LYS 155           HD1      LYS 155 -28.672 -17.399 -38.533
 1204    HE2  LYS 155           HE2      LYS 155 -29.693 -15.169 -38.282
 1205    HE3  LYS 155           HE1      LYS 155 -29.197 -15.132 -36.589
 1206    HZ1  LYS 155           HZ1      LYS 155 -26.906 -15.259 -37.264
 1207    HZ2  LYS 155           HZ2      LYS 155 -27.649 -13.949 -38.048
 1208    HZ3  LYS 155           HZ3      LYS 155 -27.347 -15.389 -38.896
 1209    H    GLU 156           HN       GLU 156 -30.300 -21.442 -35.481
 1210    HA   GLU 156           HA       GLU 156 -31.828 -23.717 -36.105
 1211    HB2  GLU 156           HB2      GLU 156 -30.670 -22.966 -38.416
 1212    HB3  GLU 156           HB1      GLU 156 -29.312 -23.852 -37.734
 1213    HG2  GLU 156           HG2      GLU 156 -30.818 -25.811 -37.382
 1214    HG3  GLU 156           HG1      GLU 156 -32.117 -24.916 -38.169
 1215    H    TYR 157           HN       TYR 157 -30.632 -25.771 -35.601
 1216    HA   TYR 157           HA       TYR 157 -28.288 -25.304 -33.880
 1217    HB2  TYR 157           HB2      TYR 157 -30.512 -27.153 -33.079
 1218    HB3  TYR 157           HB1      TYR 157 -29.155 -26.587 -32.105
 1219    HD1  TYR 157           HD2      TYR 157 -29.014 -23.774 -32.296
 1220    HD2  TYR 157           HD1      TYR 157 -32.556 -26.204 -32.427
 1221    HE1  TYR 157           HE2      TYR 157 -30.353 -21.853 -31.525
 1222    HE2  TYR 157           HE1      TYR 157 -33.898 -24.261 -31.657
 1223    HH   TYR 157           HH       TYR 157 -32.407 -21.070 -31.181
 1224    H    ARG 158           HN       ARG 158 -26.725 -26.324 -34.933
 1225    HA   ARG 158           HA       ARG 158 -27.267 -28.993 -36.072
 1226    HB2  ARG 158           HB2      ARG 158 -25.312 -28.655 -37.441
 1227    HB3  ARG 158           HB1      ARG 158 -26.338 -27.228 -37.576
 1228    HG2  ARG 158           HG2      ARG 158 -24.937 -26.124 -35.809
 1229    HG3  ARG 158           HG1      ARG 158 -23.854 -27.517 -35.862
 1230    HD2  ARG 158           HD2      ARG 158 -24.550 -25.833 -38.276
 1231    HD3  ARG 158           HD1      ARG 158 -23.099 -25.610 -37.301
 1232    HE   ARG 158           HE       ARG 158 -23.078 -28.275 -37.996
 1233   HH11  ARG 158          HH21      ARG 158 -23.252 -25.239 -39.639
 1234   HH12  ARG 158          HH22      ARG 158 -22.434 -25.802 -41.058
 1235   HH21  ARG 158          HH11      ARG 158 -22.006 -29.026 -39.853
 1236   HH22  ARG 158          HH12      ARG 158 -21.727 -27.948 -41.178
 1237    H    LYS 159           HN       LYS 159 -25.472 -27.317 -33.606
 1238    HA   LYS 159           HA       LYS 159 -24.136 -29.856 -32.875
 1239    HB2  LYS 159           HB2      LYS 159 -22.454 -28.231 -31.710
 1240    HB3  LYS 159           HB1      LYS 159 -22.334 -28.475 -33.452
 1241    HG2  LYS 159           HG2      LYS 159 -23.695 -26.420 -33.815
 1242    HG3  LYS 159           HG1      LYS 159 -23.760 -26.206 -32.075
 1243    HD2  LYS 159           HD2      LYS 159 -21.337 -25.999 -31.968
 1244    HD3  LYS 159           HD1      LYS 159 -21.227 -26.232 -33.713
 1245    HE2  LYS 159           HE2      LYS 159 -22.538 -24.189 -34.090
 1246    HE3  LYS 159           HE1      LYS 159 -22.738 -23.976 -32.350
 1247    HZ1  LYS 159           HZ1      LYS 159 -20.288 -23.858 -32.185
 1248    HZ2  LYS 159           HZ2      LYS 159 -20.962 -22.587 -33.088
 1249    HZ3  LYS 159           HZ3      LYS 159 -20.196 -23.882 -33.878
 1250    HA   PRO 160           HA       PRO 160 -26.172 -29.824 -28.973
 1251    HB2  PRO 160           HB2      PRO 160 -23.604 -29.967 -27.507
 1252    HB3  PRO 160           HB1      PRO 160 -24.944 -31.122 -27.571
 1253    HG2  PRO 160           HG2      PRO 160 -22.488 -31.324 -28.886
 1254    HG3  PRO 160           HG1      PRO 160 -23.908 -32.347 -29.156
 1255    HD2  PRO 160           HD2      PRO 160 -22.769 -30.384 -30.948
 1256    HD3  PRO 160           HD1      PRO 160 -24.179 -31.414 -31.198
 1257    H    ILE 161           HN       ILE 161 -23.274 -27.772 -29.247
 1258    HA   ILE 161           HA       ILE 161 -24.090 -26.121 -27.010
 1259    HB   ILE 161           HB       ILE 161 -21.845 -25.712 -28.988
 1260   HG12  ILE 161          HG12      ILE 161 -20.680 -26.735 -26.699
 1261   HG13  ILE 161          HG11      ILE 161 -22.174 -27.658 -26.746
 1262   HG21  ILE 161          HG21      ILE 161 -22.115 -23.721 -27.756
 1263   HG22  ILE 161          HG22      ILE 161 -20.884 -24.587 -26.847
 1264   HG23  ILE 161          HG23      ILE 161 -22.550 -24.575 -26.276
 1265   HD11  ILE 161          HD11      ILE 161 -20.697 -28.968 -28.014
 1266   HD12  ILE 161          HD12      ILE 161 -19.945 -27.565 -28.767
 1267   HD13  ILE 161          HD13      ILE 161 -21.560 -28.064 -29.255
 1268    H    ASP 162           HN       ASP 162 -25.011 -26.284 -30.185
 1269    HA   ASP 162           HA       ASP 162 -24.922 -23.639 -31.055
 1270    HB2  ASP 162           HB2      ASP 162 -25.852 -25.881 -32.232
 1271    HB3  ASP 162           HB1      ASP 162 -27.369 -25.195 -31.745
 1272    H    TRP 163           HN       TRP 163 -27.039 -25.207 -28.724
 1273    HA   TRP 163           HA       TRP 163 -28.634 -22.726 -28.497
 1274    HB2  TRP 163           HB2      TRP 163 -30.100 -24.259 -27.026
 1275    HB3  TRP 163           HB1      TRP 163 -30.143 -24.509 -28.772
 1276    HD1  TRP 163           HD1      TRP 163 -28.006 -25.803 -25.822
 1277    HE1  TRP 163           HE1      TRP 163 -27.602 -28.319 -26.178
 1278    HE3  TRP 163           HE3      TRP 163 -30.489 -26.529 -30.225
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.208 -30.349 -28.026
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.530 -28.782 -31.268
 1281    HH2  TRP 163           HH2      TRP 163 -29.381 -30.682 -30.159
 1282    H    GLY 164           HN       GLY 164 -25.844 -23.342 -27.420
 1283    HA2  GLY 164           HA2      GLY 164 -24.705 -22.549 -25.584
 1284    HA3  GLY 164           HA1      GLY 164 -26.242 -22.042 -24.916
 1285    H    ALA 165           HN       ALA 165 -25.661 -25.433 -25.741
 1286    HA   ALA 165           HA       ALA 165 -25.717 -26.031 -22.810
 1287    HB1  ALA 165           HB1      ALA 165 -26.448 -27.757 -25.142
 1288    HB2  ALA 165           HB2      ALA 165 -27.563 -27.068 -23.968
 1289    HB3  ALA 165           HB3      ALA 165 -26.406 -28.306 -23.478
 1290    H    ALA 166           HN       ALA 166 -24.133 -27.118 -21.875
 1291    HA   ALA 166           HA       ALA 166 -21.666 -27.471 -23.300
 1292    HB1  ALA 166           HB1      ALA 166 -20.806 -28.266 -21.140
 1293    HB2  ALA 166           HB2      ALA 166 -22.447 -28.319 -20.497
 1294    HB3  ALA 166           HB3      ALA 166 -21.720 -26.771 -20.928
 1295    H    SER 167           HN       SER 167 -24.172 -29.091 -23.998
 1296    HA   SER 167           HA       SER 167 -22.983 -31.404 -24.878
 1297    HB2  SER 167           HB2      SER 167 -23.737 -31.528 -22.019
 1298    HB3  SER 167           HB1      SER 167 -24.196 -32.928 -22.981
 1299    HG   SER 167           HG       SER 167 -22.161 -33.389 -22.471
 1300    HA   PRO 168           HA       PRO 168 -27.073 -31.818 -26.595
 1301    HB2  PRO 168           HB2      PRO 168 -26.989 -34.330 -27.623
 1302    HB3  PRO 168           HB1      PRO 168 -26.002 -33.014 -28.284
 1303    HG2  PRO 168           HG2      PRO 168 -25.211 -35.171 -26.392
 1304    HG3  PRO 168           HG1      PRO 168 -24.348 -34.556 -27.813
 1305    HD2  PRO 168           HD2      PRO 168 -23.727 -33.771 -25.260
 1306    HD3  PRO 168           HD1      PRO 168 -23.502 -32.719 -26.673
 1307    H    ALA 169           HN       ALA 169 -26.227 -33.236 -23.761
 1308    HA   ALA 169           HA       ALA 169 -28.332 -35.177 -23.489
 1309    HB1  ALA 169           HB1      ALA 169 -26.471 -33.905 -21.470
 1310    HB2  ALA 169           HB2      ALA 169 -26.237 -35.459 -22.268
 1311    HB3  ALA 169           HB3      ALA 169 -27.563 -35.245 -21.124
 1312    H    VAL 170           HN       VAL 170 -29.987 -33.506 -24.214
 1313    HA   VAL 170           HA       VAL 170 -30.806 -31.695 -22.031
 1314    HB   VAL 170           HB       VAL 170 -32.091 -31.928 -24.752
 1315   HG11  VAL 170          HG11      VAL 170 -33.265 -30.073 -24.111
 1316   HG12  VAL 170          HG12      VAL 170 -31.827 -29.270 -23.492
 1317   HG13  VAL 170          HG13      VAL 170 -32.712 -30.399 -22.474
 1318   HG21  VAL 170          HG21      VAL 170 -29.627 -30.346 -23.957
 1319   HG22  VAL 170          HG22      VAL 170 -30.534 -30.088 -25.447
 1320   HG23  VAL 170          HG23      VAL 170 -29.718 -31.627 -25.168
 1321    H    GLN 171           HN       GLN 171 -33.579 -31.813 -23.136
 1322    HA   GLN 171           HA       GLN 171 -34.472 -34.484 -22.697
 1323    HB2  GLN 171           HB2      GLN 171 -33.991 -33.317 -20.359
 1324    HB3  GLN 171           HB1      GLN 171 -35.572 -32.605 -20.638
 1325    HG2  GLN 171           HG2      GLN 171 -36.104 -34.576 -19.521
 1326    HG3  GLN 171           HG1      GLN 171 -36.319 -35.042 -21.198
 1327   HE21  GLN 171          HE21      GLN 171 -34.386 -36.189 -22.222
 1328   HE22  GLN 171          HE22      GLN 171 -33.405 -37.152 -21.223
 1329    H    SER 172           HN       SER 172 -37.010 -32.892 -21.565
 1330    HA   SER 172           HA       SER 172 -38.169 -32.669 -24.235
 1331    HB2  SER 172           HB2      SER 172 -39.029 -33.861 -22.029
 1332    HB3  SER 172           HB1      SER 172 -39.791 -32.285 -21.800
 1333    HG   SER 172           HG       SER 172 -39.973 -34.049 -24.013
 1334    H    PHE 173           HN       PHE 173 -40.324 -30.947 -23.454
 1335    HA   PHE 173           HA       PHE 173 -39.277 -28.424 -22.672
 1336    HB2  PHE 173           HB2      PHE 173 -39.385 -27.307 -24.886
 1337    HB3  PHE 173           HB1      PHE 173 -38.106 -28.524 -24.793
 1338    HD1  PHE 173           HD1      PHE 173 -41.554 -27.875 -26.004
 1339    HD2  PHE 173           HD2      PHE 173 -38.139 -30.471 -26.163
 1340    HE1  PHE 173           HE1      PHE 173 -42.564 -29.087 -27.913
 1341    HE2  PHE 173           HE2      PHE 173 -39.149 -31.687 -28.072
 1342    HZ   PHE 173           HZ       PHE 173 -41.365 -30.996 -28.947
 1343    H    ARG 174           HN       ARG 174 -40.834 -26.625 -23.675
 1344    HA   ARG 174           HA       ARG 174 -43.546 -27.527 -24.049
 1345    HB2  ARG 174           HB2      ARG 174 -44.352 -26.194 -22.034
 1346    HB3  ARG 174           HB1      ARG 174 -43.603 -27.753 -21.705
 1347    HG2  ARG 174           HG2      ARG 174 -41.631 -26.798 -20.879
 1348    HG3  ARG 174           HG1      ARG 174 -41.883 -25.277 -21.731
 1349    HD2  ARG 174           HD2      ARG 174 -43.585 -26.250 -19.424
 1350    HD3  ARG 174           HD1      ARG 174 -42.269 -25.085 -19.280
 1351    HE   ARG 174           HE       ARG 174 -44.010 -24.152 -21.266
 1352   HH11  ARG 174          HH21      ARG 174 -43.965 -24.819 -17.869
 1353   HH12  ARG 174          HH22      ARG 174 -45.129 -23.598 -17.475
 1354   HH21  ARG 174          HH11      ARG 174 -45.532 -22.550 -20.758
 1355   HH22  ARG 174          HH12      ARG 174 -46.017 -22.313 -19.111
 1356    H    ARG 175           HN       ARG 175 -44.642 -26.082 -25.211
 1357    HA   ARG 175           HA       ARG 175 -43.481 -23.874 -26.378
 1358    HB2  ARG 175           HB2      ARG 175 -45.773 -23.202 -26.988
 1359    HB3  ARG 175           HB1      ARG 175 -45.557 -24.935 -27.191
 1360    HG2  ARG 175           HG2      ARG 175 -46.516 -25.222 -24.859
 1361    HG3  ARG 175           HG1      ARG 175 -46.967 -23.518 -24.936
 1362    HD2  ARG 175           HD2      ARG 175 -48.274 -23.942 -26.975
 1363    HD3  ARG 175           HD1      ARG 175 -47.819 -25.642 -26.925
 1364    HE   ARG 175           HE       ARG 175 -49.764 -24.309 -25.212
 1365   HH11  ARG 175          HH21      ARG 175 -47.749 -27.059 -25.807
 1366   HH12  ARG 175          HH22      ARG 175 -48.661 -28.120 -24.785
 1367   HH21  ARG 175          HH11      ARG 175 -50.962 -25.693 -23.872
 1368   HH22  ARG 175          HH12      ARG 175 -50.480 -27.347 -23.690
 1369    H    ILE 176           HN       ILE 176 -43.051 -21.889 -25.812
 1370    HA   ILE 176           HA       ILE 176 -43.265 -20.999 -23.140
 1371    HB   ILE 176           HB       ILE 176 -42.947 -19.223 -25.575
 1372   HG12  ILE 176          HG12      ILE 176 -40.909 -20.867 -24.050
 1373   HG13  ILE 176          HG11      ILE 176 -41.331 -21.021 -25.756
 1374   HG21  ILE 176          HG21      ILE 176 -41.895 -17.702 -24.075
 1375   HG22  ILE 176          HG22      ILE 176 -41.763 -18.920 -22.806
 1376   HG23  ILE 176          HG23      ILE 176 -43.338 -18.247 -23.222
 1377   HD11  ILE 176          HD11      ILE 176 -40.664 -18.395 -25.689
 1378   HD12  ILE 176          HD12      ILE 176 -39.500 -19.671 -26.030
 1379   HD13  ILE 176          HD13      ILE 176 -39.623 -18.995 -24.405
 1380    H    VAL 177           HN       VAL 177 -44.846 -19.981 -22.062
 1381    HA   VAL 177           HA       VAL 177 -47.142 -18.888 -23.583
 1382    HB   VAL 177           HB       VAL 177 -47.210 -20.731 -21.183
 1383   HG11  VAL 177          HG11      VAL 177 -49.744 -20.382 -21.461
 1384   HG12  VAL 177          HG12      VAL 177 -49.325 -18.942 -22.389
 1385   HG13  VAL 177          HG13      VAL 177 -48.843 -19.073 -20.697
 1386   HG21  VAL 177          HG21      VAL 177 -48.656 -20.959 -23.830
 1387   HG22  VAL 177          HG22      VAL 177 -48.381 -22.219 -22.627
 1388   HG23  VAL 177          HG23      VAL 177 -47.037 -21.616 -23.594
 1389    H    GLU 178           HN       GLU 178 -47.838 -16.955 -22.908
 1390    HA   GLU 178           HA       GLU 178 -47.518 -16.014 -20.229
 1391    HB2  GLU 178           HB2      GLU 178 -45.181 -15.782 -21.253
 1392    HB3  GLU 178           HB1      GLU 178 -45.878 -14.538 -22.289
 1393    HG2  GLU 178           HG2      GLU 178 -44.965 -13.409 -20.384
 1394    HG3  GLU 178           HG1      GLU 178 -46.715 -13.420 -20.178
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1 -42.738  -6.054 -33.603
    2    H2   GLY   1           HT2      GLY   1 -42.536  -4.600 -34.455
    3    H3   GLY   1           HT3      GLY   1 -44.086  -5.270 -34.268
    4    HA2  GLY   1           HA2      GLY   1 -42.411  -3.874 -32.291
    5    HA3  GLY   1           HA1      GLY   1 -44.111  -3.619 -32.684
    6    H    SER   2           HN       SER   2 -42.704  -4.235 -30.101
    7    HA   SER   2           HA       SER   2 -43.502  -6.892 -29.344
    8    HB2  SER   2           HB2      SER   2 -42.792  -6.262 -27.121
    9    HB3  SER   2           HB1      SER   2 -41.616  -5.644 -28.277
   10    HG   SER   2           HG       SER   2 -42.864  -4.274 -26.475
   11    H    LYS   3           HN       LYS   3 -44.999  -7.233 -27.461
   12    HA   LYS   3           HA       LYS   3 -47.555  -6.075 -28.075
   13    HB2  LYS   3           HB2      LYS   3 -48.070  -7.491 -25.837
   14    HB3  LYS   3           HB1      LYS   3 -47.859  -8.264 -27.409
   15    HG2  LYS   3           HG2      LYS   3 -45.606  -8.864 -26.939
   16    HG3  LYS   3           HG1      LYS   3 -45.521  -7.778 -25.556
   17    HD2  LYS   3           HD2      LYS   3 -45.762 -10.032 -24.714
   18    HD3  LYS   3           HD1      LYS   3 -47.276  -9.177 -24.423
   19    HE2  LYS   3           HE2      LYS   3 -47.529 -11.517 -25.371
   20    HE3  LYS   3           HE1      LYS   3 -48.340 -10.251 -26.290
   21    HZ1  LYS   3           HZ1      LYS   3 -46.990 -10.546 -28.029
   22    HZ2  LYS   3           HZ2      LYS   3 -46.628 -12.049 -27.325
   23    HZ3  LYS   3           HZ3      LYS   3 -45.603 -10.717 -27.067
   24    H    THR   4           HN       THR   4 -45.581  -6.127 -25.094
   25    HA   THR   4           HA       THR   4 -46.440  -3.396 -24.479
   26    HB   THR   4           HB       THR   4 -47.136  -4.012 -22.207
   27    HG1  THR   4           HG1      THR   4 -46.646  -5.911 -21.499
   28   HG21  THR   4          HG21      THR   4 -49.271  -4.885 -22.784
   29   HG22  THR   4          HG22      THR   4 -48.618  -5.769 -24.165
   30   HG23  THR   4          HG23      THR   4 -48.730  -4.011 -24.217
   31    H    GLY   5           HN       GLY   5 -44.987  -2.284 -23.240
   32    HA2  GLY   5           HA2      GLY   5 -42.306  -2.981 -23.288
   33    HA3  GLY   5           HA1      GLY   5 -42.994  -1.770 -22.208
   34    H    THR   6           HN       THR   6 -41.218  -4.509 -22.237
   35    HA   THR   6           HA       THR   6 -42.371  -5.890 -19.985
   36    HB   THR   6           HB       THR   6 -40.397  -7.307 -20.144
   37    HG1  THR   6           HG1      THR   6 -39.082  -6.514 -22.158
   38   HG21  THR   6          HG21      THR   6 -40.590  -7.887 -22.624
   39   HG22  THR   6          HG22      THR   6 -41.688  -6.515 -22.761
   40   HG23  THR   6          HG23      THR   6 -42.099  -7.874 -21.715
   41    H    LYS   7           HN       LYS   7 -41.066  -6.274 -18.039
   42    HA   LYS   7           HA       LYS   7 -39.044  -4.350 -17.311
   43    HB2  LYS   7           HB2      LYS   7 -40.781  -2.834 -16.912
   44    HB3  LYS   7           HB1      LYS   7 -41.840  -4.077 -16.250
   45    HG2  LYS   7           HG2      LYS   7 -40.639  -4.193 -14.221
   46    HG3  LYS   7           HG1      LYS   7 -39.221  -3.392 -14.909
   47    HD2  LYS   7           HD2      LYS   7 -40.286  -1.279 -14.919
   48    HD3  LYS   7           HD1      LYS   7 -41.883  -1.984 -14.702
   49    HE2  LYS   7           HE2      LYS   7 -41.426  -2.569 -12.439
   50    HE3  LYS   7           HE1      LYS   7 -39.702  -2.281 -12.630
   51    HZ1  LYS   7           HZ1      LYS   7 -40.078  -0.225 -11.930
   52    HZ2  LYS   7           HZ2      LYS   7 -41.762  -0.450 -11.958
   53    HZ3  LYS   7           HZ3      LYS   7 -40.948   0.069 -13.356
   54    H    ILE   8           HN       ILE   8 -38.019  -4.780 -15.312
   55    HA   ILE   8           HA       ILE   8 -38.869  -7.137 -13.836
   56    HB   ILE   8           HB       ILE   8 -37.462  -8.039 -15.661
   57   HG12  ILE   8          HG12      ILE   8 -35.899  -8.189 -13.085
   58   HG13  ILE   8          HG11      ILE   8 -37.503  -8.895 -13.187
   59   HG21  ILE   8          HG21      ILE   8 -35.859  -6.533 -16.314
   60   HG22  ILE   8          HG22      ILE   8 -34.890  -7.429 -15.144
   61   HG23  ILE   8          HG23      ILE   8 -35.607  -5.904 -14.700
   62   HD11  ILE   8          HD11      ILE   8 -35.458  -9.543 -15.300
   63   HD12  ILE   8          HD12      ILE   8 -36.860 -10.479 -14.781
   64   HD13  ILE   8          HD13      ILE   8 -35.433 -10.386 -13.750
   65    H    THR   9           HN       THR   9 -38.080  -7.315 -11.723
   66    HA   THR   9           HA       THR   9 -36.318  -5.156 -10.841
   67    HB   THR   9           HB       THR   9 -38.872  -5.990  -9.466
   68    HG1  THR   9           HG1      THR   9 -39.128  -3.582  -9.878
   69   HG21  THR   9          HG21      THR   9 -37.022  -5.400  -7.896
   70   HG22  THR   9          HG22      THR   9 -38.339  -4.235  -7.851
   71   HG23  THR   9          HG23      THR   9 -36.857  -3.857  -8.719
   72    H    PHE  10           HN       PHE  10 -34.915  -5.644  -9.260
   73    HA   PHE  10           HA       PHE  10 -34.904  -8.428  -8.249
   74    HB2  PHE  10           HB2      PHE  10 -32.515  -6.713  -8.902
   75    HB3  PHE  10           HB1      PHE  10 -32.494  -8.401  -8.402
   76    HD1  PHE  10           HD2      PHE  10 -33.202 -10.172  -9.966
   77    HD2  PHE  10           HD1      PHE  10 -33.182  -6.041 -11.119
   78    HE1  PHE  10           HE2      PHE  10 -33.411 -10.837 -12.350
   79    HE2  PHE  10           HE1      PHE  10 -33.389  -6.699 -13.500
   80    HZ   PHE  10           HZ       PHE  10 -33.506  -9.091 -14.115
   81    H    TYR  11           HN       TYR  11 -35.295  -8.409  -6.142
   82    HA   TYR  11           HA       TYR  11 -34.659  -6.040  -4.533
   83    HB2  TYR  11           HB2      TYR  11 -36.303  -8.512  -3.996
   84    HB3  TYR  11           HB1      TYR  11 -36.046  -7.231  -2.827
   85    HD1  TYR  11           HD1      TYR  11 -37.360  -7.910  -6.243
   86    HD2  TYR  11           HD2      TYR  11 -37.357  -5.245  -2.889
   87    HE1  TYR  11           HE1      TYR  11 -39.219  -6.639  -7.254
   88    HE2  TYR  11           HE2      TYR  11 -39.205  -3.958  -3.904
   89    HH   TYR  11           HH       TYR  11 -40.806  -5.081  -6.852
   90    H    GLU  12           HN       GLU  12 -33.158  -6.014  -2.971
   91    HA   GLU  12           HA       GLU  12 -31.034  -7.848  -2.998
   92    HB2  GLU  12           HB2      GLU  12 -31.653  -5.389  -1.722
   93    HB3  GLU  12           HB1      GLU  12 -31.205  -6.478  -0.424
   94    HG2  GLU  12           HG2      GLU  12 -29.486  -6.248  -2.898
   95    HG3  GLU  12           HG1      GLU  12 -29.338  -5.083  -1.597
   96    H    ASP  13           HN       ASP  13 -33.761  -7.552  -0.749
   97    HA   ASP  13           HA       ASP  13 -33.024 -10.190   0.385
   98    HB2  ASP  13           HB2      ASP  13 -34.667  -7.955   1.561
   99    HB3  ASP  13           HB1      ASP  13 -34.505  -9.547   2.283
  100    H    LYS  14           HN       LYS  14 -35.273 -11.037   1.432
  101    HA   LYS  14           HA       LYS  14 -36.806 -11.795  -0.907
  102    HB2  LYS  14           HB2      LYS  14 -36.963 -12.616   1.992
  103    HB3  LYS  14           HB1      LYS  14 -38.033 -13.240   0.741
  104    HG2  LYS  14           HG2      LYS  14 -36.391 -14.868   0.633
  105    HG3  LYS  14           HG1      LYS  14 -35.696 -13.730  -0.507
  106    HD2  LYS  14           HD2      LYS  14 -33.907 -14.251   0.934
  107    HD3  LYS  14           HD1      LYS  14 -34.488 -12.704   1.535
  108    HE2  LYS  14           HE2      LYS  14 -35.487 -13.666   3.427
  109    HE3  LYS  14           HE1      LYS  14 -35.573 -15.267   2.695
  110    HZ1  LYS  14           HZ1      LYS  14 -33.367 -15.665   3.071
  111    HZ2  LYS  14           HZ2      LYS  14 -33.756 -14.738   4.440
  112    HZ3  LYS  14           HZ3      LYS  14 -32.950 -14.021   3.126
  113    H    ASN  15           HN       ASN  15 -39.272 -12.135  -0.278
  114    HA   ASN  15           HA       ASN  15 -41.269 -11.067  -0.264
  115    HB2  ASN  15           HB2      ASN  15 -40.269  -9.462   2.077
  116    HB3  ASN  15           HB1      ASN  15 -41.868 -10.139   1.797
  117   HD21  ASN  15          HD21      ASN  15 -40.492 -12.747   0.885
  118   HD22  ASN  15          HD22      ASN  15 -40.059 -13.492   2.350
  119    H    PHE  16           HN       PHE  16 -38.823  -9.685  -1.510
  120    HA   PHE  16           HA       PHE  16 -38.578  -7.867  -2.848
  121    HB2  PHE  16           HB2      PHE  16 -41.154  -6.665  -1.892
  122    HB3  PHE  16           HB1      PHE  16 -40.410  -6.571  -3.481
  123    HD1  PHE  16           HD2      PHE  16 -40.012  -8.915  -4.662
  124    HD2  PHE  16           HD1      PHE  16 -42.970  -8.129  -1.649
  125    HE1  PHE  16           HE2      PHE  16 -41.334 -10.860  -5.447
  126    HE2  PHE  16           HE1      PHE  16 -44.281 -10.077  -2.423
  127    HZ   PHE  16           HZ       PHE  16 -43.466 -11.442  -4.324
  128    H    GLN  17           HN       GLN  17 -37.496  -7.926  -0.230
  129    HA   GLN  17           HA       GLN  17 -37.596  -5.065   0.573
  130    HB2  GLN  17           HB2      GLN  17 -36.864  -7.501   2.219
  131    HB3  GLN  17           HB1      GLN  17 -36.897  -5.833   2.791
  132    HG2  GLN  17           HG2      GLN  17 -39.289  -5.692   2.363
  133    HG3  GLN  17           HG1      GLN  17 -39.282  -7.314   1.666
  134   HE21  GLN  17          HE21      GLN  17 -38.860  -9.143   3.147
  135   HE22  GLN  17          HE22      GLN  17 -39.134  -8.967   4.815
  136    H    GLY  18           HN       GLY  18 -35.397  -4.925   2.127
  137    HA2  GLY  18           HA2      GLY  18 -33.091  -4.872   2.204
  138    HA3  GLY  18           HA1      GLY  18 -33.064  -6.099   0.948
  139    H    ARG  19           HN       ARG  19 -34.760  -4.468  -0.753
  140    HA   ARG  19           HA       ARG  19 -34.105  -1.972  -1.562
  141    HB2  ARG  19           HB2      ARG  19 -31.611  -3.132  -1.579
  142    HB3  ARG  19           HB1      ARG  19 -32.110  -3.459  -3.202
  143    HG2  ARG  19           HG2      ARG  19 -32.522  -1.070  -3.564
  144    HG3  ARG  19           HG1      ARG  19 -32.084  -0.742  -1.891
  145    HD2  ARG  19           HD2      ARG  19 -29.864  -1.780  -2.315
  146    HD3  ARG  19           HD1      ARG  19 -30.310  -1.963  -4.006
  147    HE   ARG  19           HE       ARG  19 -30.054   0.341  -4.300
  148   HH11  ARG  19          HH21      ARG  19 -29.865  -0.601  -0.976
  149   HH12  ARG  19          HH22      ARG  19 -29.274   0.933  -0.435
  150   HH21  ARG  19          HH11      ARG  19 -29.311   2.344  -3.606
  151   HH22  ARG  19          HH12      ARG  19 -28.961   2.608  -1.931
  152    H    ARG  20           HN       ARG  20 -33.623  -2.034  -4.310
  153    HA   ARG  20           HA       ARG  20 -34.916  -4.116  -5.662
  154    HB2  ARG  20           HB2      ARG  20 -37.004  -3.111  -6.213
  155    HB3  ARG  20           HB1      ARG  20 -36.845  -3.041  -4.459
  156    HG2  ARG  20           HG2      ARG  20 -37.314  -0.803  -4.696
  157    HG3  ARG  20           HG1      ARG  20 -35.631  -0.658  -5.196
  158    HD2  ARG  20           HD2      ARG  20 -36.410  -1.103  -7.578
  159    HD3  ARG  20           HD1      ARG  20 -38.058  -0.962  -6.985
  160    HE   ARG  20           HE       ARG  20 -36.148   1.208  -7.321
  161   HH11  ARG  20          HH21      ARG  20 -39.061   0.074  -5.840
  162   HH12  ARG  20          HH22      ARG  20 -39.711   1.657  -5.580
  163   HH21  ARG  20          HH11      ARG  20 -36.995   3.298  -6.980
  164   HH22  ARG  20          HH12      ARG  20 -38.544   3.482  -6.224
  165    H    TYR  21           HN       TYR  21 -34.833  -3.776  -7.947
  166    HA   TYR  21           HA       TYR  21 -33.498  -1.272  -8.827
  167    HB2  TYR  21           HB2      TYR  21 -31.799  -3.050  -8.686
  168    HB3  TYR  21           HB1      TYR  21 -32.788  -4.075  -9.723
  169    HD1  TYR  21           HD1      TYR  21 -31.289  -0.646  -9.625
  170    HD2  TYR  21           HD2      TYR  21 -32.448  -3.999 -12.032
  171    HE1  TYR  21           HE1      TYR  21 -30.321   0.458 -11.622
  172    HE2  TYR  21           HE2      TYR  21 -31.496  -2.892 -14.043
  173    HH   TYR  21           HH       TYR  21 -30.280  -1.176 -14.783
  174    H    ASP  22           HN       ASP  22 -34.348  -0.384 -10.651
  175    HA   ASP  22           HA       ASP  22 -36.596  -1.831 -11.928
  176    HB2  ASP  22           HB2      ASP  22 -37.303   0.372 -12.737
  177    HB3  ASP  22           HB1      ASP  22 -37.132   0.369 -10.982
  178    H    CYS  23           HN       CYS  23 -36.705  -2.118 -14.173
  179    HA   CYS  23           HA       CYS  23 -34.848  -0.928 -15.947
  180    HB2  CYS  23           HB2      CYS  23 -34.102  -3.588 -16.450
  181    HB3  CYS  23           HB1      CYS  23 -33.096  -2.355 -15.696
  182    HG   CYS  23           HG       CYS  23 -33.600  -4.653 -14.214
  183    H    ASP  24           HN       ASP  24 -35.911  -0.723 -17.757
  184    HA   ASP  24           HA       ASP  24 -37.835  -2.826 -18.567
  185    HB2  ASP  24           HB2      ASP  24 -39.332  -1.197 -19.365
  186    HB3  ASP  24           HB1      ASP  24 -38.802  -0.574 -17.810
  187    H    CYS  25           HN       CYS  25 -34.901  -2.258 -19.193
  188    HA   CYS  25           HA       CYS  25 -35.167  -2.690 -22.075
  189    HB2  CYS  25           HB2      CYS  25 -34.852  -0.145 -21.454
  190    HB3  CYS  25           HB1      CYS  25 -33.169  -0.609 -21.248
  191    HG   CYS  25           HG       CYS  25 -34.045  -1.723 -23.862
  192    H    ASP  26           HN       ASP  26 -33.384  -3.726 -23.006
  193    HA   ASP  26           HA       ASP  26 -32.044  -5.635 -21.629
  194    HB2  ASP  26           HB2      ASP  26 -30.373  -5.658 -23.425
  195    HB3  ASP  26           HB1      ASP  26 -31.994  -5.445 -24.081
  196    H    CYS  27           HN       CYS  27 -29.848  -5.866 -20.882
  197    HA   CYS  27           HA       CYS  27 -28.328  -3.476 -20.261
  198    HB2  CYS  27           HB2      CYS  27 -30.039  -4.837 -18.255
  199    HB3  CYS  27           HB1      CYS  27 -28.406  -4.441 -17.719
  200    HG   CYS  27           HG       CYS  27 -30.329  -2.261 -18.881
  201    H    ALA  28           HN       ALA  28 -26.250  -3.995 -19.240
  202    HA   ALA  28           HA       ALA  28 -25.255  -6.594 -20.200
  203    HB1  ALA  28           HB1      ALA  28 -23.806  -4.110 -19.262
  204    HB2  ALA  28           HB2      ALA  28 -23.980  -4.667 -20.926
  205    HB3  ALA  28           HB3      ALA  28 -23.012  -5.598 -19.781
  206    H    ASP  29           HN       ASP  29 -24.909  -4.536 -17.298
  207    HA   ASP  29           HA       ASP  29 -25.110  -6.860 -15.568
  208    HB2  ASP  29           HB2      ASP  29 -22.937  -6.500 -14.495
  209    HB3  ASP  29           HB1      ASP  29 -22.722  -6.860 -16.211
  210    H    PHE  30           HN       PHE  30 -26.768  -5.976 -14.432
  211    HA   PHE  30           HA       PHE  30 -26.616  -3.234 -13.452
  212    HB2  PHE  30           HB2      PHE  30 -28.881  -3.384 -13.090
  213    HB3  PHE  30           HB1      PHE  30 -28.728  -4.690 -14.264
  214    HD1  PHE  30           HD2      PHE  30 -28.204  -7.053 -13.278
  215    HD2  PHE  30           HD1      PHE  30 -29.794  -3.825 -10.976
  216    HE1  PHE  30           HE2      PHE  30 -29.062  -8.677 -11.616
  217    HE2  PHE  30           HE1      PHE  30 -30.668  -5.427  -9.311
  218    HZ   PHE  30           HZ       PHE  30 -30.303  -7.863  -9.627
  219    H    HIS  31           HN       HIS  31 -25.043  -5.822 -12.530
  220    HA   HIS  31           HA       HIS  31 -25.642  -6.264  -9.816
  221    HB2  HIS  31           HB2      HIS  31 -24.126  -7.703 -11.126
  222    HB3  HIS  31           HB1      HIS  31 -22.938  -6.397 -11.162
  223    HD2  HIS  31           HD2      HIS  31 -21.688  -5.857  -8.639
  224    HE1  HIS  31           HE1      HIS  31 -23.287  -9.233  -6.672
  225    HE2  HIS  31           HE2      HIS  31 -21.593  -7.349  -6.497
  226    H    THR  32           HN       THR  32 -24.293  -3.576 -11.419
  227    HA   THR  32           HA       THR  32 -22.794  -2.528  -9.182
  228    HB   THR  32           HB       THR  32 -22.612  -0.487 -10.571
  229    HG1  THR  32           HG1      THR  32 -23.707  -1.536 -12.794
  230   HG21  THR  32          HG21      THR  32 -20.990  -2.239 -10.959
  231   HG22  THR  32          HG22      THR  32 -21.473  -1.586 -12.524
  232   HG23  THR  32          HG23      THR  32 -22.128  -3.128 -11.973
  233    H    TYR  33           HN       TYR  33 -26.020  -2.911  -9.658
  234    HA   TYR  33           HA       TYR  33 -26.726  -0.471  -8.120
  235    HB2  TYR  33           HB2      TYR  33 -28.341  -2.091 -10.086
  236    HB3  TYR  33           HB1      TYR  33 -29.025  -0.832  -9.058
  237    HD1  TYR  33           HD2      TYR  33 -27.796   1.493  -9.115
  238    HD2  TYR  33           HD1      TYR  33 -27.450  -1.495 -12.174
  239    HE1  TYR  33           HE2      TYR  33 -27.022   3.223 -10.714
  240    HE2  TYR  33           HE1      TYR  33 -26.672   0.228 -13.774
  241    HH   TYR  33           HH       TYR  33 -27.137   3.184 -13.658
  242    H    LEU  34           HN       LEU  34 -26.554  -3.872  -8.133
  243    HA   LEU  34           HA       LEU  34 -27.906  -3.954  -5.532
  244    HB2  LEU  34           HB2      LEU  34 -29.463  -4.577  -7.520
  245    HB3  LEU  34           HB1      LEU  34 -28.524  -6.055  -7.589
  246    HG   LEU  34           HG       LEU  34 -29.033  -6.419  -5.156
  247   HD11  LEU  34          HD11      LEU  34 -30.571  -3.871  -5.619
  248   HD12  LEU  34          HD12      LEU  34 -29.679  -4.387  -4.193
  249   HD13  LEU  34          HD13      LEU  34 -31.261  -5.075  -4.534
  250   HD21  LEU  34          HD21      LEU  34 -31.369  -6.167  -7.052
  251   HD22  LEU  34          HD22      LEU  34 -31.404  -7.101  -5.564
  252   HD23  LEU  34          HD23      LEU  34 -30.327  -7.575  -6.882
  253    H    SER  35           HN       SER  35 -27.036  -5.375  -4.118
  254    HA   SER  35           HA       SER  35 -24.523  -6.661  -4.964
  255    HB2  SER  35           HB2      SER  35 -24.708  -5.045  -2.962
  256    HB3  SER  35           HB1      SER  35 -25.512  -6.369  -2.127
  257    HG   SER  35           HG       SER  35 -23.033  -6.688  -3.450
  258    H    ARG  36           HN       ARG  36 -27.725  -7.482  -4.453
  259    HA   ARG  36           HA       ARG  36 -27.109 -10.302  -4.520
  260    HB2  ARG  36           HB2      ARG  36 -27.068  -9.579  -2.033
  261    HB3  ARG  36           HB1      ARG  36 -28.813  -9.398  -2.202
  262    HG2  ARG  36           HG2      ARG  36 -28.953 -11.748  -3.012
  263    HG3  ARG  36           HG1      ARG  36 -27.221 -11.918  -2.725
  264    HD2  ARG  36           HD2      ARG  36 -29.257 -11.171  -0.612
  265    HD3  ARG  36           HD1      ARG  36 -28.581 -12.781  -0.830
  266    HE   ARG  36           HE       ARG  36 -27.237 -10.475   0.323
  267   HH11  ARG  36          HH21      ARG  36 -26.960 -13.590  -1.159
  268   HH12  ARG  36          HH22      ARG  36 -25.399 -13.922  -0.490
  269   HH21  ARG  36          HH11      ARG  36 -25.187 -10.904   1.204
  270   HH22  ARG  36          HH12      ARG  36 -24.395 -12.402   0.850
  271    H    CYS  37           HN       CYS  37 -28.873 -11.558  -5.196
  272    HA   CYS  37           HA       CYS  37 -31.225  -9.969  -6.072
  273    HB2  CYS  37           HB2      CYS  37 -30.460 -12.546  -7.389
  274    HB3  CYS  37           HB1      CYS  37 -31.270 -11.128  -8.053
  275    HG   CYS  37           HG       CYS  37 -29.067 -10.176  -8.671
  276    H    ASN  38           HN       ASN  38 -32.703 -10.295  -4.564
  277    HA   ASN  38           HA       ASN  38 -33.579 -13.063  -4.071
  278    HB2  ASN  38           HB2      ASN  38 -33.352 -10.774  -2.113
  279    HB3  ASN  38           HB1      ASN  38 -34.313 -12.215  -1.810
  280   HD21  ASN  38          HD21      ASN  38 -32.101 -11.632  -0.131
  281   HD22  ASN  38          HD22      ASN  38 -30.876 -12.779  -0.417
  282    H    SER  39           HN       SER  39 -35.850 -13.214  -3.680
  283    HA   SER  39           HA       SER  39 -37.910 -12.914  -4.630
  284    HB2  SER  39           HB2      SER  39 -39.008 -10.801  -3.652
  285    HB3  SER  39           HB1      SER  39 -38.386 -12.001  -2.538
  286    HG   SER  39           HG       SER  39 -37.574  -9.435  -2.997
  287    H    ILE  40           HN       ILE  40 -38.711 -12.454  -6.519
  288    HA   ILE  40           HA       ILE  40 -38.050  -9.880  -7.816
  289    HB   ILE  40           HB       ILE  40 -37.564 -12.655  -8.896
  290   HG12  ILE  40          HG12      ILE  40 -35.773 -10.261  -9.264
  291   HG13  ILE  40          HG11      ILE  40 -35.813 -11.035  -7.680
  292   HG21  ILE  40          HG21      ILE  40 -38.096 -10.100 -10.407
  293   HG22  ILE  40          HG22      ILE  40 -38.737 -11.714 -10.710
  294   HG23  ILE  40          HG23      ILE  40 -37.054 -11.348 -11.092
  295   HD11  ILE  40          HD11      ILE  40 -35.344 -13.231  -8.853
  296   HD12  ILE  40          HD12      ILE  40 -34.037 -12.058  -8.932
  297   HD13  ILE  40          HD13      ILE  40 -35.083 -12.303 -10.330
  298    H    LYS  41           HN       LYS  41 -39.594  -9.062  -9.096
  299    HA   LYS  41           HA       LYS  41 -41.879 -10.686  -9.936
  300    HB2  LYS  41           HB2      LYS  41 -43.395  -8.792  -8.939
  301    HB3  LYS  41           HB1      LYS  41 -42.870 -10.135  -7.929
  302    HG2  LYS  41           HG2      LYS  41 -41.287  -8.872  -6.795
  303    HG3  LYS  41           HG1      LYS  41 -41.169  -7.666  -8.076
  304    HD2  LYS  41           HD2      LYS  41 -42.425  -6.953  -5.961
  305    HD3  LYS  41           HD1      LYS  41 -43.254  -6.682  -7.491
  306    HE2  LYS  41           HE2      LYS  41 -44.759  -8.430  -7.132
  307    HE3  LYS  41           HE1      LYS  41 -43.693  -9.256  -5.999
  308    HZ1  LYS  41           HZ1      LYS  41 -45.141  -6.711  -5.516
  309    HZ2  LYS  41           HZ2      LYS  41 -44.049  -7.428  -4.429
  310    HZ3  LYS  41           HZ3      LYS  41 -45.500  -8.217  -4.822
  311    H    VAL  42           HN       VAL  42 -41.517 -10.268 -12.063
  312    HA   VAL  42           HA       VAL  42 -40.829  -7.719 -13.012
  313    HB   VAL  42           HB       VAL  42 -41.434  -8.781 -15.238
  314   HG11  VAL  42          HG11      VAL  42 -39.721 -10.778 -14.838
  315   HG12  VAL  42          HG12      VAL  42 -39.501  -9.985 -13.279
  316   HG13  VAL  42          HG13      VAL  42 -39.183  -9.116 -14.772
  317   HG21  VAL  42          HG21      VAL  42 -43.201 -10.219 -14.404
  318   HG22  VAL  42          HG22      VAL  42 -42.041 -11.127 -13.436
  319   HG23  VAL  42          HG23      VAL  42 -41.933 -11.167 -15.189
  320    H    GLU  43           HN       GLU  43 -42.025  -6.120 -13.822
  321    HA   GLU  43           HA       GLU  43 -44.955  -6.324 -13.504
  322    HB2  GLU  43           HB2      GLU  43 -43.049  -3.989 -13.372
  323    HB3  GLU  43           HB1      GLU  43 -44.800  -3.804 -13.409
  324    HG2  GLU  43           HG2      GLU  43 -43.289  -5.432 -11.345
  325    HG3  GLU  43           HG1      GLU  43 -43.876  -3.791 -11.087
  326    H    GLY  44           HN       GLY  44 -44.134  -7.453 -15.792
  327    HA2  GLY  44           HA2      GLY  44 -45.264  -5.692 -17.781
  328    HA3  GLY  44           HA1      GLY  44 -43.553  -6.009 -18.027
  329    H    GLY  45           HN       GLY  45 -42.902  -7.951 -18.843
  330    HA2  GLY  45           HA2      GLY  45 -44.921 -10.078 -19.220
  331    HA3  GLY  45           HA1      GLY  45 -44.022  -9.465 -20.603
  332    H    THR  46           HN       THR  46 -42.763 -11.166 -21.148
  333    HA   THR  46           HA       THR  46 -41.457 -12.813 -19.182
  334    HB   THR  46           HB       THR  46 -41.026 -12.707 -22.177
  335    HG1  THR  46           HG1      THR  46 -43.137 -13.424 -20.769
  336   HG21  THR  46          HG21      THR  46 -40.267 -14.655 -20.001
  337   HG22  THR  46          HG22      THR  46 -39.232 -13.923 -21.227
  338   HG23  THR  46          HG23      THR  46 -40.402 -15.157 -21.685
  339    H    TRP  47           HN       TRP  47 -39.087 -13.208 -19.283
  340    HA   TRP  47           HA       TRP  47 -37.404 -11.021 -20.166
  341    HB2  TRP  47           HB2      TRP  47 -38.179 -11.422 -17.316
  342    HB3  TRP  47           HB1      TRP  47 -36.493 -11.025 -17.625
  343    HD1  TRP  47           HD1      TRP  47 -39.837  -9.493 -17.276
  344    HE1  TRP  47           HE1      TRP  47 -39.722  -6.986 -17.882
  345    HE3  TRP  47           HE3      TRP  47 -35.247  -9.317 -19.489
  346    HZ2  TRP  47           HZ2      TRP  47 -37.939  -5.161 -19.186
  347    HZ3  TRP  47           HZ3      TRP  47 -34.363  -7.190 -20.397
  348    HH2  TRP  47           HH2      TRP  47 -35.705  -5.114 -20.252
  349    H    ALA  48           HN       ALA  48 -35.170 -11.468 -19.929
  350    HA   ALA  48           HA       ALA  48 -34.546 -14.346 -19.559
  351    HB1  ALA  48           HB1      ALA  48 -32.538 -13.638 -21.124
  352    HB2  ALA  48           HB2      ALA  48 -33.626 -12.340 -21.590
  353    HB3  ALA  48           HB3      ALA  48 -34.108 -14.015 -21.823
  354    H    VAL  49           HN       VAL  49 -33.327 -14.701 -17.835
  355    HA   VAL  49           HA       VAL  49 -31.532 -12.531 -16.869
  356    HB   VAL  49           HB       VAL  49 -31.850 -13.683 -14.613
  357   HG11  VAL  49          HG11      VAL  49 -32.959 -11.529 -15.313
  358   HG12  VAL  49          HG12      VAL  49 -33.906 -12.468 -14.159
  359   HG13  VAL  49          HG13      VAL  49 -34.336 -12.480 -15.870
  360   HG21  VAL  49          HG21      VAL  49 -33.781 -15.090 -14.325
  361   HG22  VAL  49          HG22      VAL  49 -32.827 -15.763 -15.636
  362   HG23  VAL  49          HG23      VAL  49 -34.282 -14.834 -15.997
  363    H    TYR  50           HN       TYR  50 -29.444 -12.973 -16.656
  364    HA   TYR  50           HA       TYR  50 -28.551 -15.772 -17.053
  365    HB2  TYR  50           HB2      TYR  50 -27.119 -13.144 -17.525
  366    HB3  TYR  50           HB1      TYR  50 -26.398 -14.740 -17.736
  367    HD1  TYR  50           HD1      TYR  50 -29.018 -12.428 -18.967
  368    HD2  TYR  50           HD2      TYR  50 -26.923 -16.117 -19.639
  369    HE1  TYR  50           HE1      TYR  50 -29.995 -12.567 -21.241
  370    HE2  TYR  50           HE2      TYR  50 -27.899 -16.256 -21.914
  371    HH   TYR  50           HH       TYR  50 -29.868 -13.626 -23.232
  372    H    GLU  51           HN       GLU  51 -28.094 -16.745 -15.192
  373    HA   GLU  51           HA       GLU  51 -27.869 -15.835 -12.689
  374    HB2  GLU  51           HB2      GLU  51 -27.577 -18.205 -13.357
  375    HB3  GLU  51           HB1      GLU  51 -25.922 -17.840 -13.849
  376    HG2  GLU  51           HG2      GLU  51 -25.404 -17.108 -11.543
  377    HG3  GLU  51           HG1      GLU  51 -27.055 -17.493 -11.057
  378    H    ARG  52           HN       ARG  52 -25.414 -15.447 -15.180
  379    HA   ARG  52           HA       ARG  52 -23.839 -13.828 -13.287
  380    HB2  ARG  52           HB2      ARG  52 -22.781 -15.331 -15.667
  381    HB3  ARG  52           HB1      ARG  52 -21.837 -14.431 -14.481
  382    HG2  ARG  52           HG2      ARG  52 -22.601 -15.935 -12.700
  383    HG3  ARG  52           HG1      ARG  52 -23.585 -16.827 -13.858
  384    HD2  ARG  52           HD2      ARG  52 -20.785 -17.195 -13.257
  385    HD3  ARG  52           HD1      ARG  52 -21.783 -18.124 -14.369
  386    HE   ARG  52           HE       ARG  52 -20.901 -15.611 -15.479
  387   HH11  ARG  52          HH21      ARG  52 -20.097 -18.911 -14.829
  388   HH12  ARG  52          HH22      ARG  52 -18.955 -19.032 -16.125
  389   HH21  ARG  52          HH11      ARG  52 -19.411 -15.757 -17.179
  390   HH22  ARG  52          HH12      ARG  52 -18.567 -17.243 -17.458
  391    HA   PRO  53           HA       PRO  53 -24.488 -10.453 -16.126
  392    HB2  PRO  53           HB2      PRO  53 -21.875  -9.288 -15.437
  393    HB3  PRO  53           HB1      PRO  53 -23.499  -8.697 -15.049
  394    HG2  PRO  53           HG2      PRO  53 -21.768  -9.725 -13.201
  395    HG3  PRO  53           HG1      PRO  53 -23.527  -9.717 -13.022
  396    HD2  PRO  53           HD2      PRO  53 -21.719 -11.991 -13.731
  397    HD3  PRO  53           HD1      PRO  53 -23.257 -11.961 -12.838
  398    H    ASN  54           HN       ASN  54 -23.663  -9.469 -18.055
  399    HA   ASN  54           HA       ASN  54 -22.375  -9.303 -19.947
  400    HB2  ASN  54           HB2      ASN  54 -20.210 -10.035 -19.975
  401    HB3  ASN  54           HB1      ASN  54 -20.482 -10.298 -18.262
  402   HD21  ASN  54          HD21      ASN  54 -20.181 -12.430 -17.536
  403   HD22  ASN  54          HD22      ASN  54 -20.067 -13.780 -18.552
  404    H    PHE  55           HN       PHE  55 -24.208 -11.835 -18.849
  405    HA   PHE  55           HA       PHE  55 -25.649 -13.178 -20.059
  406    HB2  PHE  55           HB2      PHE  55 -23.996 -12.848 -22.561
  407    HB3  PHE  55           HB1      PHE  55 -25.708 -13.219 -22.403
  408    HD1  PHE  55           HD2      PHE  55 -26.886 -11.330 -20.698
  409    HD2  PHE  55           HD1      PHE  55 -23.650 -10.703 -23.452
  410    HE1  PHE  55           HE2      PHE  55 -27.441  -8.923 -20.795
  411    HE2  PHE  55           HE1      PHE  55 -24.208  -8.290 -23.554
  412    HZ   PHE  55           HZ       PHE  55 -26.107  -7.400 -22.225
  413    H    ALA  56           HN       ALA  56 -24.032 -14.340 -18.445
  414    HA   ALA  56           HA       ALA  56 -23.153 -16.763 -19.875
  415    HB1  ALA  56           HB1      ALA  56 -21.089 -15.514 -19.688
  416    HB2  ALA  56           HB2      ALA  56 -21.054 -16.822 -18.507
  417    HB3  ALA  56           HB3      ALA  56 -21.397 -15.174 -17.985
  418    H    GLY  57           HN       GLY  57 -22.625 -18.546 -18.263
  419    HA2  GLY  57           HA2      GLY  57 -23.023 -19.703 -16.271
  420    HA3  GLY  57           HA1      GLY  57 -23.850 -18.290 -15.635
  421    H    TYR  58           HN       TYR  58 -25.412 -19.933 -14.884
  422    HA   TYR  58           HA       TYR  58 -26.992 -21.448 -16.683
  423    HB2  TYR  58           HB2      TYR  58 -27.480 -20.428 -13.887
  424    HB3  TYR  58           HB1      TYR  58 -28.656 -21.416 -14.748
  425    HD1  TYR  58           HD1      TYR  58 -25.040 -21.334 -13.767
  426    HD2  TYR  58           HD2      TYR  58 -28.466 -23.756 -14.685
  427    HE1  TYR  58           HE1      TYR  58 -23.775 -23.365 -13.130
  428    HE2  TYR  58           HE2      TYR  58 -27.202 -25.786 -14.046
  429    HH   TYR  58           HH       TYR  58 -25.220 -26.607 -13.451
  430    H    MET  59           HN       MET  59 -28.638 -20.889 -17.965
  431    HA   MET  59           HA       MET  59 -29.581 -18.087 -17.877
  432    HB2  MET  59           HB2      MET  59 -28.468 -19.184 -19.969
  433    HB3  MET  59           HB1      MET  59 -30.016 -19.995 -20.172
  434    HG2  MET  59           HG2      MET  59 -29.713 -16.992 -19.903
  435    HG3  MET  59           HG1      MET  59 -29.833 -17.837 -21.443
  436    HE1  MET  59           HE1      MET  59 -32.061 -16.146 -21.882
  437    HE2  MET  59           HE2      MET  59 -31.490 -15.537 -20.331
  438    HE3  MET  59           HE3      MET  59 -33.196 -15.903 -20.554
  439    H    TYR  60           HN       TYR  60 -31.599 -17.665 -17.288
  440    HA   TYR  60           HA       TYR  60 -33.656 -19.783 -17.467
  441    HB2  TYR  60           HB2      TYR  60 -32.689 -19.537 -15.115
  442    HB3  TYR  60           HB1      TYR  60 -33.415 -17.935 -15.090
  443    HD1  TYR  60           HD2      TYR  60 -35.917 -17.714 -15.486
  444    HD2  TYR  60           HD1      TYR  60 -33.994 -21.482 -14.744
  445    HE1  TYR  60           HE2      TYR  60 -38.109 -18.720 -14.910
  446    HE2  TYR  60           HE1      TYR  60 -36.185 -22.489 -14.169
  447    HH   TYR  60           HH       TYR  60 -38.791 -21.763 -14.931
  448    H    ILE  61           HN       ILE  61 -35.654 -19.064 -18.068
  449    HA   ILE  61           HA       ILE  61 -35.850 -16.212 -18.827
  450    HB   ILE  61           HB       ILE  61 -37.372 -18.673 -19.725
  451   HG12  ILE  61          HG12      ILE  61 -36.383 -17.801 -21.981
  452   HG13  ILE  61          HG11      ILE  61 -35.275 -16.884 -20.969
  453   HG21  ILE  61          HG21      ILE  61 -38.981 -16.934 -19.749
  454   HG22  ILE  61          HG22      ILE  61 -38.363 -16.994 -21.397
  455   HG23  ILE  61          HG23      ILE  61 -37.802 -15.743 -20.291
  456   HD11  ILE  61          HD11      ILE  61 -35.664 -19.874 -20.680
  457   HD12  ILE  61          HD12      ILE  61 -34.379 -18.887 -19.991
  458   HD13  ILE  61          HD13      ILE  61 -34.439 -19.163 -21.724
  459    H    LEU  62           HN       LEU  62 -36.470 -15.330 -16.811
  460    HA   LEU  62           HA       LEU  62 -38.523 -16.437 -15.205
  461    HB2  LEU  62           HB2      LEU  62 -36.735 -14.156 -15.155
  462    HB3  LEU  62           HB1      LEU  62 -38.349 -13.650 -14.659
  463    HG   LEU  62           HG       LEU  62 -37.047 -16.131 -13.488
  464   HD11  LEU  62          HD11      LEU  62 -36.250 -14.782 -11.629
  465   HD12  LEU  62          HD12      LEU  62 -36.896 -13.316 -12.361
  466   HD13  LEU  62          HD13      LEU  62 -35.547 -14.160 -13.121
  467   HD21  LEU  62          HD21      LEU  62 -39.009 -14.243 -12.186
  468   HD22  LEU  62          HD22      LEU  62 -38.697 -15.944 -11.839
  469   HD23  LEU  62          HD23      LEU  62 -39.568 -15.489 -13.304
  470    HA   PRO  63           HA       PRO  63 -41.699 -14.766 -17.996
  471    HB2  PRO  63           HB2      PRO  63 -43.766 -16.353 -17.286
  472    HB3  PRO  63           HB1      PRO  63 -42.416 -16.947 -18.272
  473    HG2  PRO  63           HG2      PRO  63 -42.973 -17.373 -15.376
  474    HG3  PRO  63           HG1      PRO  63 -42.259 -18.480 -16.560
  475    HD2  PRO  63           HD2      PRO  63 -40.813 -16.943 -14.694
  476    HD3  PRO  63           HD1      PRO  63 -40.143 -17.733 -16.128
  477    H    GLN  64           HN       GLN  64 -43.808 -13.671 -17.757
  478    HA   GLN  64           HA       GLN  64 -43.902 -11.810 -15.746
  479    HB2  GLN  64           HB2      GLN  64 -45.276 -12.058 -17.983
  480    HB3  GLN  64           HB1      GLN  64 -46.494 -12.719 -16.894
  481    HG2  GLN  64           HG2      GLN  64 -45.168  -9.991 -16.703
  482    HG3  GLN  64           HG1      GLN  64 -46.861 -10.329 -17.077
  483   HE21  GLN  64          HE21      GLN  64 -44.825  -9.476 -14.544
  484   HE22  GLN  64          HE22      GLN  64 -45.798  -9.978 -13.245
  485    H    GLY  65           HN       GLY  65 -44.378 -11.875 -13.605
  486    HA2  GLY  65           HA2      GLY  65 -46.457 -13.106 -12.335
  487    HA3  GLY  65           HA1      GLY  65 -45.219 -14.352 -12.427
  488    H    GLU  66           HN       GLU  66 -45.596 -14.013  -9.997
  489    HA   GLU  66           HA       GLU  66 -43.798 -11.905  -8.962
  490    HB2  GLU  66           HB2      GLU  66 -46.113 -13.343  -7.663
  491    HB3  GLU  66           HB1      GLU  66 -44.969 -12.324  -6.783
  492    HG2  GLU  66           HG2      GLU  66 -45.543 -10.405  -8.154
  493    HG3  GLU  66           HG1      GLU  66 -46.569 -11.402  -9.177
  494    H    TYR  67           HN       TYR  67 -42.406 -12.467  -7.241
  495    HA   TYR  67           HA       TYR  67 -41.902 -15.285  -6.736
  496    HB2  TYR  67           HB2      TYR  67 -39.671 -13.581  -7.847
  497    HB3  TYR  67           HB1      TYR  67 -39.608 -15.249  -7.428
  498    HD1  TYR  67           HD1      TYR  67 -41.482 -12.945  -9.752
  499    HD2  TYR  67           HD2      TYR  67 -40.067 -16.921  -9.017
  500    HE1  TYR  67           HE1      TYR  67 -42.274 -13.615 -11.971
  501    HE2  TYR  67           HE2      TYR  67 -40.882 -17.610 -11.243
  502    HH   TYR  67           HH       TYR  67 -42.230 -16.998 -12.978
  503    HA   PRO  68           HA       PRO  68 -41.459 -12.417  -3.101
  504    HB2  PRO  68           HB2      PRO  68 -42.368 -14.276  -1.255
  505    HB3  PRO  68           HB1      PRO  68 -43.406 -13.121  -2.110
  506    HG2  PRO  68           HG2      PRO  68 -42.882 -15.998  -2.698
  507    HG3  PRO  68           HG1      PRO  68 -44.402 -15.088  -2.786
  508    HD2  PRO  68           HD2      PRO  68 -42.992 -15.706  -4.986
  509    HD3  PRO  68           HD1      PRO  68 -43.892 -14.179  -4.874
  510    H    GLU  69           HN       GLU  69 -40.047 -15.336  -4.040
  511    HA   GLU  69           HA       GLU  69 -37.784 -14.806  -2.266
  512    HB2  GLU  69           HB2      GLU  69 -39.320 -17.416  -2.250
  513    HB3  GLU  69           HB1      GLU  69 -37.681 -17.247  -1.624
  514    HG2  GLU  69           HG2      GLU  69 -38.484 -15.468  -0.081
  515    HG3  GLU  69           HG1      GLU  69 -40.117 -15.717  -0.675
  516    H    TYR  70           HN       TYR  70 -35.887 -16.086  -2.920
  517    HA   TYR  70           HA       TYR  70 -35.569 -16.070  -5.726
  518    HB2  TYR  70           HB2      TYR  70 -33.351 -17.171  -5.212
  519    HB3  TYR  70           HB1      TYR  70 -33.637 -15.647  -4.372
  520    HD1  TYR  70           HD2      TYR  70 -34.558 -15.727  -1.979
  521    HD2  TYR  70           HD1      TYR  70 -32.941 -19.167  -3.997
  522    HE1  TYR  70           HE2      TYR  70 -34.299 -16.875   0.194
  523    HE2  TYR  70           HE1      TYR  70 -32.672 -20.310  -1.804
  524    HH   TYR  70           HH       TYR  70 -33.729 -18.742   1.225
  525    H    GLN  71           HN       GLN  71 -35.759 -18.750  -3.397
  526    HA   GLN  71           HA       GLN  71 -35.469 -20.961  -4.979
  527    HB2  GLN  71           HB2      GLN  71 -37.648 -20.714  -2.905
  528    HB3  GLN  71           HB1      GLN  71 -36.837 -22.189  -3.441
  529    HG2  GLN  71           HG2      GLN  71 -34.674 -21.230  -2.632
  530    HG3  GLN  71           HG1      GLN  71 -35.585 -19.868  -1.970
  531   HE21  GLN  71          HE21      GLN  71 -37.552 -20.664  -0.525
  532   HE22  GLN  71          HE22      GLN  71 -37.184 -21.927   0.557
  533    H    ARG  72           HN       ARG  72 -37.797 -18.594  -5.419
  534    HA   ARG  72           HA       ARG  72 -39.904 -20.191  -6.524
  535    HB2  ARG  72           HB2      ARG  72 -39.288 -17.274  -6.846
  536    HB3  ARG  72           HB1      ARG  72 -40.830 -18.040  -7.198
  537    HG2  ARG  72           HG2      ARG  72 -39.577 -18.161  -4.453
  538    HG3  ARG  72           HG1      ARG  72 -40.604 -16.816  -4.941
  539    HD2  ARG  72           HD2      ARG  72 -41.393 -19.743  -4.885
  540    HD3  ARG  72           HD1      ARG  72 -41.953 -18.486  -3.796
  541    HE   ARG  72           HE       ARG  72 -42.629 -17.528  -6.259
  542   HH11  ARG  72          HH21      ARG  72 -43.100 -20.510  -4.574
  543   HH12  ARG  72          HH22      ARG  72 -44.619 -20.856  -5.328
  544   HH21  ARG  72          HH11      ARG  72 -44.616 -17.970  -7.255
  545   HH22  ARG  72          HH12      ARG  72 -45.480 -19.415  -6.849
  546    H    TRP  73           HN       TRP  73 -36.841 -19.676  -7.619
  547    HA   TRP  73           HA       TRP  73 -37.682 -19.873 -10.474
  548    HB2  TRP  73           HB2      TRP  73 -35.611 -18.668 -11.105
  549    HB3  TRP  73           HB1      TRP  73 -36.671 -17.674 -10.107
  550    HD1  TRP  73           HD1      TRP  73 -35.072 -20.125  -7.935
  551    HE1  TRP  73           HE1      TRP  73 -33.158 -19.172  -6.639
  552    HE3  TRP  73           HE3      TRP  73 -34.466 -15.817 -10.539
  553    HZ2  TRP  73           HZ2      TRP  73 -31.522 -16.835  -6.685
  554    HZ3  TRP  73           HZ3      TRP  73 -32.693 -14.225  -9.877
  555    HH2  TRP  73           HH2      TRP  73 -31.215 -14.717  -7.957
  556    H    MET  74           HN       MET  74 -37.033 -21.850  -8.323
  557    HA   MET  74           HA       MET  74 -36.252 -24.041  -8.476
  558    HB2  MET  74           HB2      MET  74 -34.257 -23.171 -10.579
  559    HB3  MET  74           HB1      MET  74 -34.759 -24.796 -10.175
  560    HG2  MET  74           HG2      MET  74 -36.184 -22.740 -11.827
  561    HG3  MET  74           HG1      MET  74 -36.071 -24.477 -12.052
  562    HE1  MET  74           HE1      MET  74 -38.293 -25.960  -9.416
  563    HE2  MET  74           HE2      MET  74 -36.751 -26.014 -10.269
  564    HE3  MET  74           HE3      MET  74 -38.257 -26.172 -11.171
  565    H    GLY  75           HN       GLY  75 -35.151 -21.566  -7.124
  566    HA2  GLY  75           HA2      GLY  75 -33.257 -20.892  -5.859
  567    HA3  GLY  75           HA1      GLY  75 -33.583 -22.466  -5.143
  568    H    LEU  76           HN       LEU  76 -31.981 -21.143  -8.072
  569    HA   LEU  76           HA       LEU  76 -29.975 -23.274  -8.004
  570    HB2  LEU  76           HB2      LEU  76 -30.420 -20.992  -9.923
  571    HB3  LEU  76           HB1      LEU  76 -29.284 -22.322 -10.168
  572    HG   LEU  76           HG       LEU  76 -32.207 -22.884  -9.671
  573   HD11  LEU  76          HD11      LEU  76 -32.131 -21.324 -11.569
  574   HD12  LEU  76          HD12      LEU  76 -32.505 -22.949 -12.148
  575   HD13  LEU  76          HD13      LEU  76 -30.875 -22.299 -12.334
  576   HD21  LEU  76          HD21      LEU  76 -29.961 -24.335 -11.107
  577   HD22  LEU  76          HD22      LEU  76 -31.625 -24.907 -11.044
  578   HD23  LEU  76          HD23      LEU  76 -30.678 -24.788  -9.564
  579    H    ASN  77           HN       ASN  77 -30.214 -20.852  -6.140
  580    HA   ASN  77           HA       ASN  77 -28.334 -20.111  -4.848
  581    HB2  ASN  77           HB2      ASN  77 -26.679 -20.999  -6.520
  582    HB3  ASN  77           HB1      ASN  77 -26.952 -19.537  -7.475
  583   HD21  ASN  77          HD21      ASN  77 -24.440 -19.640  -6.892
  584   HD22  ASN  77          HD22      ASN  77 -24.013 -18.724  -5.521
  585    H    ASP  78           HN       ASP  78 -27.926 -17.961  -4.262
  586    HA   ASP  78           HA       ASP  78 -29.835 -16.069  -5.354
  587    HB2  ASP  78           HB2      ASP  78 -29.134 -14.621  -3.506
  588    HB3  ASP  78           HB1      ASP  78 -29.542 -16.230  -2.923
  589    H    ARG  79           HN       ARG  79 -28.587 -16.146  -7.473
  590    HA   ARG  79           HA       ARG  79 -26.783 -13.827  -7.519
  591    HB2  ARG  79           HB2      ARG  79 -25.426 -15.980  -7.444
  592    HB3  ARG  79           HB1      ARG  79 -26.106 -16.353  -9.027
  593    HG2  ARG  79           HG2      ARG  79 -25.216 -14.253  -9.928
  594    HG3  ARG  79           HG1      ARG  79 -24.566 -13.833  -8.346
  595    HD2  ARG  79           HD2      ARG  79 -23.215 -15.957  -8.421
  596    HD3  ARG  79           HD1      ARG  79 -23.755 -16.175 -10.083
  597    HE   ARG  79           HE       ARG  79 -22.671 -13.601  -9.883
  598   HH11  ARG  79          HH21      ARG  79 -21.715 -16.911  -9.584
  599   HH12  ARG  79          HH22      ARG  79 -20.086 -16.632 -10.101
  600   HH21  ARG  79          HH11      ARG  79 -20.536 -13.225 -10.560
  601   HH22  ARG  79          HH12      ARG  79 -19.419 -14.544 -10.653
  602    H    LEU  80           HN       LEU  80 -27.649 -12.437  -8.949
  603    HA   LEU  80           HA       LEU  80 -28.595 -13.441 -11.532
  604    HB2  LEU  80           HB2      LEU  80 -30.474 -13.213  -9.633
  605    HB3  LEU  80           HB1      LEU  80 -30.399 -11.520 -10.115
  606    HG   LEU  80           HG       LEU  80 -32.130 -12.636 -11.395
  607   HD11  LEU  80          HD11      LEU  80 -30.422 -10.953 -12.403
  608   HD12  LEU  80          HD12      LEU  80 -31.571 -11.759 -13.447
  609   HD13  LEU  80          HD13      LEU  80 -29.905 -12.333 -13.371
  610   HD21  LEU  80          HD21      LEU  80 -30.239 -14.391 -12.889
  611   HD22  LEU  80          HD22      LEU  80 -31.910 -14.680 -12.410
  612   HD23  LEU  80          HD23      LEU  80 -30.613 -14.903 -11.241
  613    H    SER  81           HN       SER  81 -28.052 -12.146 -13.135
  614    HA   SER  81           HA       SER  81 -26.960  -9.470 -12.492
  615    HB2  SER  81           HB2      SER  81 -25.487  -9.739 -14.250
  616    HB3  SER  81           HB1      SER  81 -25.592 -11.385 -13.639
  617    HG   SER  81           HG       SER  81 -26.071 -11.724 -15.691
  618    H    SER  82           HN       SER  82 -26.984  -8.401 -15.109
  619    HA   SER  82           HA       SER  82 -29.443  -7.206 -15.250
  620    HB2  SER  82           HB2      SER  82 -28.793  -6.779 -17.684
  621    HB3  SER  82           HB1      SER  82 -27.644  -6.250 -16.457
  622    HG   SER  82           HG       SER  82 -27.299  -8.002 -18.443
  623    H    CYS  83           HN       CYS  83 -30.577  -7.384 -17.655
  624    HA   CYS  83           HA       CYS  83 -31.224 -10.153 -18.262
  625    HB2  CYS  83           HB2      CYS  83 -33.539 -10.006 -17.684
  626    HB3  CYS  83           HB1      CYS  83 -32.659  -9.385 -16.283
  627    HG   CYS  83           HG       CYS  83 -33.623  -7.132 -16.671
  628    H    ARG  84           HN       ARG  84 -32.483 -10.358 -20.228
  629    HA   ARG  84           HA       ARG  84 -32.536  -7.895 -21.882
  630    HB2  ARG  84           HB2      ARG  84 -32.034 -10.764 -22.704
  631    HB3  ARG  84           HB1      ARG  84 -32.185  -9.396 -23.813
  632    HG2  ARG  84           HG2      ARG  84 -30.266  -8.296 -22.773
  633    HG3  ARG  84           HG1      ARG  84 -30.138  -9.594 -21.586
  634    HD2  ARG  84           HD2      ARG  84 -28.514 -10.087 -23.261
  635    HD3  ARG  84           HD1      ARG  84 -29.855 -11.190 -23.552
  636    HE   ARG  84           HE       ARG  84 -30.280  -8.872 -25.086
  637   HH11  ARG  84          HH21      ARG  84 -28.083 -11.529 -24.800
  638   HH12  ARG  84          HH22      ARG  84 -27.687 -11.563 -26.485
  639   HH21  ARG  84          HH11      ARG  84 -29.767  -8.910 -27.298
  640   HH22  ARG  84          HH12      ARG  84 -28.642 -10.081 -27.900
  641    H    ALA  85           HN       ALA  85 -34.478  -7.307 -22.610
  642    HA   ALA  85           HA       ALA  85 -36.850  -8.562 -21.838
  643    HB1  ALA  85           HB1      ALA  85 -37.917  -7.114 -23.593
  644    HB2  ALA  85           HB2      ALA  85 -36.298  -6.637 -24.103
  645    HB3  ALA  85           HB3      ALA  85 -36.864  -6.242 -22.480
  646    H    VAL  86           HN       VAL  86 -38.020 -10.202 -22.624
  647    HA   VAL  86           HA       VAL  86 -37.318 -11.265 -25.325
  648    HB   VAL  86           HB       VAL  86 -37.880 -12.777 -22.763
  649   HG11  VAL  86          HG11      VAL  86 -37.574 -14.806 -24.304
  650   HG12  VAL  86          HG12      VAL  86 -37.864 -13.695 -25.641
  651   HG13  VAL  86          HG13      VAL  86 -39.114 -13.957 -24.426
  652   HG21  VAL  86          HG21      VAL  86 -35.568 -12.221 -22.927
  653   HG22  VAL  86          HG22      VAL  86 -35.529 -12.551 -24.658
  654   HG23  VAL  86          HG23      VAL  86 -35.685 -13.879 -23.513
  655    H    HIS  87           HN       HIS  87 -38.951 -11.502 -26.689
  656    HA   HIS  87           HA       HIS  87 -41.703 -11.078 -25.696
  657    HB2  HIS  87           HB2      HIS  87 -40.768 -11.066 -28.569
  658    HB3  HIS  87           HB1      HIS  87 -42.265 -10.405 -27.909
  659    HD2  HIS  87           HD2      HIS  87 -38.588  -9.323 -28.461
  660    HE1  HIS  87           HE1      HIS  87 -40.444  -6.287 -26.187
  661    HE2  HIS  87           HE2      HIS  87 -38.358  -6.906 -27.498
  662    H    LEU  88           HN       LEU  88 -43.418 -12.364 -26.735
  663    HA   LEU  88           HA       LEU  88 -42.671 -15.170 -26.756
  664    HB2  LEU  88           HB2      LEU  88 -45.480 -14.229 -27.244
  665    HB3  LEU  88           HB1      LEU  88 -44.908 -15.607 -26.303
  666    HG   LEU  88           HG       LEU  88 -44.713 -12.683 -25.518
  667   HD11  LEU  88          HD11      LEU  88 -46.952 -13.844 -25.342
  668   HD12  LEU  88          HD12      LEU  88 -46.313 -13.248 -23.812
  669   HD13  LEU  88          HD13      LEU  88 -46.207 -14.964 -24.201
  670   HD21  LEU  88          HD21      LEU  88 -43.523 -15.198 -24.346
  671   HD22  LEU  88          HD22      LEU  88 -43.964 -13.858 -23.284
  672   HD23  LEU  88          HD23      LEU  88 -42.777 -13.615 -24.561
  673    HA   PRO  89           HA       PRO  89 -42.676 -15.583 -31.176
  674    HB2  PRO  89           HB2      PRO  89 -43.492 -18.189 -31.466
  675    HB3  PRO  89           HB1      PRO  89 -41.870 -17.733 -30.903
  676    HG2  PRO  89           HG2      PRO  89 -44.260 -18.581 -29.313
  677    HG3  PRO  89           HG1      PRO  89 -42.556 -19.040 -29.123
  678    HD2  PRO  89           HD2      PRO  89 -43.714 -17.157 -27.540
  679    HD3  PRO  89           HD1      PRO  89 -42.001 -17.075 -28.004
  680    H    SER  90           HN       SER  90 -44.035 -15.722 -32.998
  681    HA   SER  90           HA       SER  90 -46.798 -16.359 -32.853
  682    HB2  SER  90           HB2      SER  90 -47.835 -14.295 -32.681
  683    HB3  SER  90           HB1      SER  90 -46.432 -14.016 -31.652
  684    HG   SER  90           HG       SER  90 -45.727 -12.623 -33.056
  685    H    GLY  91           HN       GLY  91 -43.992 -15.683 -34.501
  686    HA2  GLY  91           HA2      GLY  91 -45.073 -14.808 -37.000
  687    HA3  GLY  91           HA1      GLY  91 -43.441 -15.417 -36.724
  688    H    GLY  92           HN       GLY  92 -43.657 -17.918 -35.948
  689    HA2  GLY  92           HA2      GLY  92 -45.224 -19.280 -38.080
  690    HA3  GLY  92           HA1      GLY  92 -43.646 -19.817 -37.510
  691    H    GLN  93           HN       GLN  93 -46.765 -18.923 -36.013
  692    HA   GLN  93           HA       GLN  93 -47.750 -19.800 -34.096
  693    HB2  GLN  93           HB2      GLN  93 -48.435 -22.249 -34.613
  694    HB3  GLN  93           HB1      GLN  93 -48.984 -20.976 -35.702
  695    HG2  GLN  93           HG2      GLN  93 -47.219 -21.479 -37.282
  696    HG3  GLN  93           HG1      GLN  93 -46.492 -22.630 -36.171
  697   HE21  GLN  93          HE21      GLN  93 -47.708 -24.651 -35.725
  698   HE22  GLN  93          HE22      GLN  93 -48.843 -25.209 -36.867
  699    H    TYR  94           HN       TYR  94 -46.785 -23.007 -34.448
  700    HA   TYR  94           HA       TYR  94 -44.443 -22.834 -32.725
  701    HB2  TYR  94           HB2      TYR  94 -46.532 -22.740 -31.251
  702    HB3  TYR  94           HB1      TYR  94 -46.817 -24.405 -31.750
  703    HD1  TYR  94           HD1      TYR  94 -44.243 -22.162 -30.255
  704    HD2  TYR  94           HD2      TYR  94 -45.662 -26.186 -30.709
  705    HE1  TYR  94           HE1      TYR  94 -42.584 -22.935 -28.585
  706    HE2  TYR  94           HE2      TYR  94 -44.004 -26.963 -29.041
  707    HH   TYR  94           HH       TYR  94 -42.564 -26.275 -27.432
  708    H    LYS  95           HN       LYS  95 -43.066 -24.150 -33.729
  709    HA   LYS  95           HA       LYS  95 -43.847 -26.903 -34.254
  710    HB2  LYS  95           HB2      LYS  95 -44.519 -25.631 -36.310
  711    HB3  LYS  95           HB1      LYS  95 -42.832 -25.169 -36.514
  712    HG2  LYS  95           HG2      LYS  95 -43.253 -27.101 -37.905
  713    HG3  LYS  95           HG1      LYS  95 -42.223 -27.598 -36.564
  714    HD2  LYS  95           HD2      LYS  95 -43.896 -28.825 -35.521
  715    HD3  LYS  95           HD1      LYS  95 -45.200 -27.852 -36.220
  716    HE2  LYS  95           HE2      LYS  95 -43.438 -29.702 -37.849
  717    HE3  LYS  95           HE1      LYS  95 -45.005 -30.176 -37.189
  718    HZ1  LYS  95           HZ1      LYS  95 -44.397 -28.161 -39.255
  719    HZ2  LYS  95           HZ2      LYS  95 -45.842 -28.077 -38.364
  720    HZ3  LYS  95           HZ3      LYS  95 -45.505 -29.445 -39.312
  721    H    ILE  96           HN       ILE  96 -42.216 -28.273 -34.003
  722    HA   ILE  96           HA       ILE  96 -39.435 -27.265 -34.093
  723    HB   ILE  96           HB       ILE  96 -39.785 -27.219 -31.782
  724   HG12  ILE  96          HG12      ILE  96 -38.984 -30.115 -32.096
  725   HG13  ILE  96          HG11      ILE  96 -37.913 -28.801 -32.576
  726   HG21  ILE  96          HG21      ILE  96 -42.043 -28.181 -31.791
  727   HG22  ILE  96          HG22      ILE  96 -41.053 -28.967 -30.564
  728   HG23  ILE  96          HG23      ILE  96 -41.369 -29.780 -32.095
  729   HD11  ILE  96          HD11      ILE  96 -39.064 -29.273 -29.814
  730   HD12  ILE  96          HD12      ILE  96 -38.102 -27.864 -30.265
  731   HD13  ILE  96          HD13      ILE  96 -37.381 -29.470 -30.295
  732    H    GLN  97           HN       GLN  97 -37.914 -28.710 -34.676
  733    HA   GLN  97           HA       GLN  97 -38.780 -31.441 -35.419
  734    HB2  GLN  97           HB2      GLN  97 -37.363 -29.363 -37.029
  735    HB3  GLN  97           HB1      GLN  97 -36.827 -31.032 -37.222
  736    HG2  GLN  97           HG2      GLN  97 -39.173 -31.710 -37.696
  737    HG3  GLN  97           HG1      GLN  97 -39.672 -30.024 -37.565
  738   HE21  GLN  97          HE21      GLN  97 -36.603 -29.948 -38.867
  739   HE22  GLN  97          HE22      GLN  97 -37.011 -29.942 -40.521
  740    H    ILE  98           HN       ILE  98 -37.594 -32.995 -34.561
  741    HA   ILE  98           HA       ILE  98 -34.985 -32.270 -33.320
  742    HB   ILE  98           HB       ILE  98 -36.758 -34.537 -32.384
  743   HG12  ILE  98          HG12      ILE  98 -36.889 -31.634 -31.498
  744   HG13  ILE  98          HG11      ILE  98 -38.156 -32.489 -32.378
  745   HG21  ILE  98          HG21      ILE  98 -35.540 -34.132 -30.285
  746   HG22  ILE  98          HG22      ILE  98 -34.739 -32.750 -31.023
  747   HG23  ILE  98          HG23      ILE  98 -34.410 -34.377 -31.618
  748   HD11  ILE  98          HD11      ILE  98 -37.913 -34.208 -30.341
  749   HD12  ILE  98          HD12      ILE  98 -38.938 -32.778 -30.226
  750   HD13  ILE  98          HD13      ILE  98 -37.324 -32.759 -29.522
  751    H    PHE  99           HN       PHE  99 -33.265 -33.432 -33.891
  752    HA   PHE  99           HA       PHE  99 -33.711 -35.838 -35.596
  753    HB2  PHE  99           HB2      PHE  99 -31.582 -33.703 -35.638
  754    HB3  PHE  99           HB1      PHE  99 -31.301 -35.284 -36.368
  755    HD1  PHE  99           HD1      PHE  99 -33.658 -32.381 -36.377
  756    HD2  PHE  99           HD2      PHE  99 -32.164 -35.801 -38.507
  757    HE1  PHE  99           HE1      PHE  99 -34.923 -31.684 -38.393
  758    HE2  PHE  99           HE2      PHE  99 -33.428 -35.101 -40.522
  759    HZ   PHE  99           HZ       PHE  99 -34.810 -33.041 -40.463
  760    H    GLU 100           HN       GLU 100 -33.127 -37.702 -34.806
  761    HA   GLU 100           HA       GLU 100 -32.052 -38.079 -32.252
  762    HB2  GLU 100           HB2      GLU 100 -33.324 -39.793 -33.530
  763    HB3  GLU 100           HB1      GLU 100 -31.920 -40.013 -34.578
  764    HG2  GLU 100           HG2      GLU 100 -30.565 -40.705 -32.663
  765    HG3  GLU 100           HG1      GLU 100 -31.912 -40.394 -31.569
  766    H    LYS 101           HN       LYS 101 -30.467 -37.331 -35.234
  767    HA   LYS 101           HA       LYS 101 -27.836 -37.761 -33.935
  768    HB2  LYS 101           HB2      LYS 101 -28.482 -38.200 -36.852
  769    HB3  LYS 101           HB1      LYS 101 -26.936 -38.484 -36.061
  770    HG2  LYS 101           HG2      LYS 101 -27.901 -40.241 -34.706
  771    HG3  LYS 101           HG1      LYS 101 -29.514 -39.897 -35.321
  772    HD2  LYS 101           HD2      LYS 101 -28.702 -40.446 -37.620
  773    HD3  LYS 101           HD1      LYS 101 -27.159 -40.940 -36.916
  774    HE2  LYS 101           HE2      LYS 101 -28.301 -42.636 -35.558
  775    HE3  LYS 101           HE1      LYS 101 -29.859 -42.116 -36.201
  776    HZ1  LYS 101           HZ1      LYS 101 -28.548 -44.110 -37.253
  777    HZ2  LYS 101           HZ2      LYS 101 -27.764 -42.862 -38.099
  778    HZ3  LYS 101           HZ3      LYS 101 -29.448 -43.044 -38.217
  779    H    GLY 102           HN       GLY 102 -26.338 -36.177 -34.285
  780    HA2  GLY 102           HA2      GLY 102 -27.203 -33.571 -34.798
  781    HA3  GLY 102           HA1      GLY 102 -25.520 -34.080 -34.811
  782    H    ASP 103           HN       ASP 103 -25.584 -32.322 -36.536
  783    HA   ASP 103           HA       ASP 103 -25.613 -31.654 -38.735
  784    HB2  ASP 103           HB2      ASP 103 -24.452 -33.136 -40.199
  785    HB3  ASP 103           HB1      ASP 103 -23.808 -33.444 -38.585
  786    H    PHE 104           HN       PHE 104 -28.175 -32.627 -37.649
  787    HA   PHE 104           HA       PHE 104 -30.296 -33.144 -38.359
  788    HB2  PHE 104           HB2      PHE 104 -29.371 -32.479 -41.148
  789    HB3  PHE 104           HB1      PHE 104 -30.960 -32.241 -40.421
  790    HD1  PHE 104           HD2      PHE 104 -30.980 -30.732 -38.239
  791    HD2  PHE 104           HD1      PHE 104 -27.912 -30.654 -41.246
  792    HE1  PHE 104           HE2      PHE 104 -30.300 -28.475 -37.486
  793    HE2  PHE 104           HE1      PHE 104 -27.232 -28.395 -40.493
  794    HZ   PHE 104           HZ       PHE 104 -28.422 -27.309 -38.613
  795    H    SER 105           HN       SER 105 -29.899 -35.416 -37.903
  796    HA   SER 105           HA       SER 105 -30.390 -37.048 -40.231
  797    HB2  SER 105           HB2      SER 105 -27.763 -37.165 -38.783
  798    HB3  SER 105           HB1      SER 105 -28.437 -38.634 -39.488
  799    HG   SER 105           HG       SER 105 -28.208 -37.798 -41.454
  800    H    GLY 106           HN       GLY 106 -30.808 -39.304 -39.636
  801    HA2  GLY 106           HA2      GLY 106 -31.489 -41.005 -38.177
  802    HA3  GLY 106           HA1      GLY 106 -31.306 -39.892 -36.831
  803    H    GLN 107           HN       GLN 107 -33.349 -40.634 -36.048
  804    HA   GLN 107           HA       GLN 107 -35.748 -40.401 -37.534
  805    HB2  GLN 107           HB2      GLN 107 -35.602 -41.853 -35.576
  806    HB3  GLN 107           HB1      GLN 107 -35.299 -40.463 -34.541
  807    HG2  GLN 107           HG2      GLN 107 -37.661 -41.198 -34.433
  808    HG3  GLN 107           HG1      GLN 107 -37.516 -39.555 -35.068
  809   HE21  GLN 107          HE21      GLN 107 -39.374 -39.569 -36.406
  810   HE22  GLN 107          HE22      GLN 107 -39.556 -40.600 -37.743
  811    H    MET 108           HN       MET 108 -37.163 -38.772 -37.799
  812    HA   MET 108           HA       MET 108 -36.483 -36.171 -36.564
  813    HB2  MET 108           HB2      MET 108 -36.116 -36.325 -39.046
  814    HB3  MET 108           HB1      MET 108 -37.856 -36.579 -39.212
  815    HG2  MET 108           HG2      MET 108 -38.263 -34.448 -38.009
  816    HG3  MET 108           HG1      MET 108 -36.522 -34.184 -37.915
  817    HE1  MET 108           HE1      MET 108 -39.677 -33.545 -39.761
  818    HE2  MET 108           HE2      MET 108 -39.358 -35.175 -40.349
  819    HE3  MET 108           HE3      MET 108 -39.334 -33.821 -41.475
  820    H    TYR 109           HN       TYR 109 -37.972 -35.428 -35.175
  821    HA   TYR 109           HA       TYR 109 -40.757 -36.415 -35.451
  822    HB2  TYR 109           HB2      TYR 109 -39.067 -35.724 -33.055
  823    HB3  TYR 109           HB1      TYR 109 -40.821 -35.747 -32.968
  824    HD1  TYR 109           HD2      TYR 109 -41.929 -37.929 -34.127
  825    HD2  TYR 109           HD1      TYR 109 -37.953 -37.706 -32.503
  826    HE1  TYR 109           HE2      TYR 109 -41.897 -40.392 -33.860
  827    HE2  TYR 109           HE1      TYR 109 -37.927 -40.167 -32.237
  828    HH   TYR 109           HH       TYR 109 -40.697 -42.162 -33.269
  829    H    GLU 110           HN       GLU 110 -42.287 -35.005 -35.804
  830    HA   GLU 110           HA       GLU 110 -41.742 -32.122 -35.364
  831    HB2  GLU 110           HB2      GLU 110 -43.505 -31.921 -37.281
  832    HB3  GLU 110           HB1      GLU 110 -41.834 -32.288 -37.688
  833    HG2  GLU 110           HG2      GLU 110 -42.366 -34.672 -37.827
  834    HG3  GLU 110           HG1      GLU 110 -44.026 -34.351 -37.324
  835    H    THR 111           HN       THR 111 -43.004 -31.259 -33.860
  836    HA   THR 111           HA       THR 111 -45.824 -31.996 -33.670
  837    HB   THR 111           HB       THR 111 -44.421 -33.574 -32.183
  838    HG1  THR 111           HG1      THR 111 -46.261 -33.738 -31.235
  839   HG21  THR 111          HG21      THR 111 -43.546 -32.728 -30.148
  840   HG22  THR 111          HG22      THR 111 -44.383 -31.192 -30.332
  841   HG23  THR 111          HG23      THR 111 -43.005 -31.574 -31.365
  842    H    THR 112           HN       THR 112 -47.016 -30.245 -33.225
  843    HA   THR 112           HA       THR 112 -45.628 -27.765 -32.445
  844    HB   THR 112           HB       THR 112 -46.931 -27.538 -34.424
  845    HG1  THR 112           HG1      THR 112 -48.687 -26.530 -32.490
  846   HG21  THR 112          HG21      THR 112 -49.145 -28.808 -32.814
  847   HG22  THR 112          HG22      THR 112 -48.363 -29.461 -34.253
  848   HG23  THR 112          HG23      THR 112 -49.396 -28.037 -34.380
  849    H    GLU 113           HN       GLU 113 -45.771 -29.394 -30.334
  850    HA   GLU 113           HA       GLU 113 -47.626 -27.977 -28.557
  851    HB2  GLU 113           HB2      GLU 113 -48.196 -30.222 -27.459
  852    HB3  GLU 113           HB1      GLU 113 -48.989 -29.861 -28.997
  853    HG2  GLU 113           HG2      GLU 113 -47.381 -31.216 -30.204
  854    HG3  GLU 113           HG1      GLU 113 -46.447 -31.489 -28.733
  855    H    ASP 114           HN       ASP 114 -47.209 -29.092 -26.197
  856    HA   ASP 114           HA       ASP 114 -44.349 -28.693 -25.727
  857    HB2  ASP 114           HB2      ASP 114 -45.051 -28.845 -23.316
  858    HB3  ASP 114           HB1      ASP 114 -45.784 -27.523 -24.211
  859    H    CYS 115           HN       CYS 115 -43.189 -30.162 -24.350
  860    HA   CYS 115           HA       CYS 115 -44.205 -32.924 -24.340
  861    HB2  CYS 115           HB2      CYS 115 -42.765 -32.705 -26.274
  862    HB3  CYS 115           HB1      CYS 115 -41.475 -32.052 -25.265
  863    HG   CYS 115           HG       CYS 115 -41.994 -34.545 -23.946
  864    HA   PRO 116           HA       PRO 116 -42.372 -32.367 -20.224
  865    HB2  PRO 116           HB2      PRO 116 -43.255 -34.700 -19.089
  866    HB3  PRO 116           HB1      PRO 116 -44.312 -33.295 -19.329
  867    HG2  PRO 116           HG2      PRO 116 -44.121 -35.799 -20.920
  868    HG3  PRO 116           HG1      PRO 116 -45.544 -34.833 -20.519
  869    HD2  PRO 116           HD2      PRO 116 -44.222 -34.778 -22.968
  870    HD3  PRO 116           HD1      PRO 116 -45.270 -33.470 -22.359
  871    H    SER 117           HN       SER 117 -42.388 -35.783 -21.351
  872    HA   SER 117           HA       SER 117 -39.454 -35.916 -20.889
  873    HB2  SER 117           HB2      SER 117 -41.610 -38.029 -20.809
  874    HB3  SER 117           HB1      SER 117 -39.895 -38.425 -20.891
  875    HG   SER 117           HG       SER 117 -39.778 -37.996 -18.846
  876    H    ILE 118           HN       ILE 118 -38.326 -35.757 -22.765
  877    HA   ILE 118           HA       ILE 118 -39.545 -36.076 -25.312
  878    HB   ILE 118           HB       ILE 118 -37.414 -34.724 -24.440
  879   HG12  ILE 118          HG12      ILE 118 -37.610 -35.822 -27.257
  880   HG13  ILE 118          HG11      ILE 118 -38.540 -34.455 -26.634
  881   HG21  ILE 118          HG21      ILE 118 -36.133 -37.136 -25.738
  882   HG22  ILE 118          HG22      ILE 118 -36.092 -36.784 -24.008
  883   HG23  ILE 118          HG23      ILE 118 -35.313 -35.696 -25.148
  884   HD11  ILE 118          HD11      ILE 118 -35.558 -34.328 -26.367
  885   HD12  ILE 118          HD12      ILE 118 -36.738 -33.043 -26.630
  886   HD13  ILE 118          HD13      ILE 118 -36.269 -34.092 -27.956
  887    H    MET 119           HN       MET 119 -37.302 -38.028 -23.441
  888    HA   MET 119           HA       MET 119 -36.951 -40.060 -25.359
  889    HB2  MET 119           HB2      MET 119 -35.499 -39.715 -23.367
  890    HB3  MET 119           HB1      MET 119 -36.807 -40.337 -22.362
  891    HG2  MET 119           HG2      MET 119 -36.745 -42.477 -23.471
  892    HG3  MET 119           HG1      MET 119 -35.641 -41.862 -24.697
  893    HE1  MET 119           HE1      MET 119 -34.180 -43.997 -24.234
  894    HE2  MET 119           HE2      MET 119 -35.280 -44.502 -22.953
  895    HE3  MET 119           HE3      MET 119 -33.546 -44.446 -22.643
  896    H    GLU 120           HN       GLU 120 -39.562 -39.391 -23.162
  897    HA   GLU 120           HA       GLU 120 -40.612 -42.014 -23.036
  898    HB2  GLU 120           HB2      GLU 120 -41.233 -40.294 -21.433
  899    HB3  GLU 120           HB1      GLU 120 -41.943 -39.317 -22.719
  900    HG2  GLU 120           HG2      GLU 120 -43.613 -41.045 -23.162
  901    HG3  GLU 120           HG1      GLU 120 -42.861 -42.093 -21.968
  902    H    GLN 121           HN       GLN 121 -41.503 -39.205 -25.028
  903    HA   GLN 121           HA       GLN 121 -43.286 -40.928 -26.597
  904    HB2  GLN 121           HB2      GLN 121 -44.211 -38.858 -27.468
  905    HB3  GLN 121           HB1      GLN 121 -44.163 -38.823 -25.706
  906    HG2  GLN 121           HG2      GLN 121 -42.747 -37.042 -25.663
  907    HG3  GLN 121           HG1      GLN 121 -41.684 -37.746 -26.868
  908   HE21  GLN 121          HE21      GLN 121 -42.889 -34.932 -26.607
  909   HE22  GLN 121          HE22      GLN 121 -43.595 -34.646 -28.126
  910    H    PHE 122           HN       PHE 122 -40.224 -39.311 -26.887
  911    HA   PHE 122           HA       PHE 122 -40.180 -39.957 -29.772
  912    HB2  PHE 122           HB2      PHE 122 -38.658 -37.854 -28.225
  913    HB3  PHE 122           HB1      PHE 122 -38.336 -38.269 -29.902
  914    HD1  PHE 122           HD2      PHE 122 -40.936 -38.590 -31.153
  915    HD2  PHE 122           HD1      PHE 122 -39.755 -35.771 -28.128
  916    HE1  PHE 122           HE2      PHE 122 -42.717 -37.070 -31.880
  917    HE2  PHE 122           HE1      PHE 122 -41.545 -34.234 -28.882
  918    HZ   PHE 122           HZ       PHE 122 -43.027 -34.889 -30.761
  919    H    HIS 123           HN       HIS 123 -39.216 -41.183 -26.924
  920    HA   HIS 123           HA       HIS 123 -37.567 -42.693 -26.314
  921    HB2  HIS 123           HB2      HIS 123 -37.669 -43.102 -29.298
  922    HB3  HIS 123           HB1      HIS 123 -36.772 -44.150 -28.191
  923    HD2  HIS 123           HD2      HIS 123 -39.146 -45.826 -29.413
  924    HE1  HIS 123           HE1      HIS 123 -41.513 -44.671 -26.110
  925    HE2  HIS 123           HE2      HIS 123 -41.308 -46.325 -28.032
  926    H    MET 124           HN       MET 124 -36.860 -39.905 -27.856
  927    HA   MET 124           HA       MET 124 -34.131 -40.268 -28.508
  928    HB2  MET 124           HB2      MET 124 -35.831 -37.836 -27.951
  929    HB3  MET 124           HB1      MET 124 -34.110 -37.721 -28.299
  930    HG2  MET 124           HG2      MET 124 -34.425 -38.859 -30.435
  931    HG3  MET 124           HG1      MET 124 -36.140 -39.070 -30.090
  932    HE1  MET 124           HE1      MET 124 -34.173 -36.852 -32.527
  933    HE2  MET 124           HE2      MET 124 -35.851 -36.609 -33.000
  934    HE3  MET 124           HE3      MET 124 -35.304 -38.214 -32.526
  935    H    ARG 125           HN       ARG 125 -32.377 -40.227 -27.263
  936    HA   ARG 125           HA       ARG 125 -32.747 -39.754 -24.370
  937    HB2  ARG 125           HB2      ARG 125 -30.477 -41.024 -24.338
  938    HB3  ARG 125           HB1      ARG 125 -31.950 -41.942 -24.635
  939    HG2  ARG 125           HG2      ARG 125 -31.553 -41.891 -27.033
  940    HG3  ARG 125           HG1      ARG 125 -30.154 -40.839 -26.809
  941    HD2  ARG 125           HD2      ARG 125 -29.378 -43.124 -27.107
  942    HD3  ARG 125           HD1      ARG 125 -29.076 -42.627 -25.447
  943    HE   ARG 125           HE       ARG 125 -31.608 -43.914 -25.650
  944   HH11  ARG 125          HH21      ARG 125 -28.193 -44.477 -25.687
  945   HH12  ARG 125          HH22      ARG 125 -28.315 -46.094 -25.079
  946   HH21  ARG 125          HH11      ARG 125 -31.774 -46.034 -24.852
  947   HH22  ARG 125          HH12      ARG 125 -30.340 -46.975 -24.607
  948    H    GLU 126           HN       GLU 126 -31.035 -38.731 -27.236
  949    HA   GLU 126           HA       GLU 126 -29.928 -36.495 -25.737
  950    HB2  GLU 126           HB2      GLU 126 -28.070 -38.261 -27.347
  951    HB3  GLU 126           HB1      GLU 126 -27.636 -36.830 -26.432
  952    HG2  GLU 126           HG2      GLU 126 -28.408 -37.981 -24.355
  953    HG3  GLU 126           HG1      GLU 126 -28.663 -39.438 -25.309
  954    H    ILE 127           HN       ILE 127 -30.736 -34.887 -26.870
  955    HA   ILE 127           HA       ILE 127 -31.157 -35.019 -29.728
  956    HB   ILE 127           HB       ILE 127 -31.254 -32.528 -28.021
  957   HG12  ILE 127          HG12      ILE 127 -32.670 -34.022 -26.815
  958   HG13  ILE 127          HG11      ILE 127 -33.764 -33.130 -27.876
  959   HG21  ILE 127          HG21      ILE 127 -31.444 -32.105 -30.377
  960   HG22  ILE 127          HG22      ILE 127 -33.053 -31.969 -29.688
  961   HG23  ILE 127          HG23      ILE 127 -32.588 -33.419 -30.577
  962   HD11  ILE 127          HD11      ILE 127 -33.500 -35.030 -29.548
  963   HD12  ILE 127          HD12      ILE 127 -34.388 -35.425 -28.077
  964   HD13  ILE 127          HD13      ILE 127 -32.715 -35.937 -28.256
  965    H    HIS 128           HN       HIS 128 -29.789 -34.570 -31.260
  966    HA   HIS 128           HA       HIS 128 -27.227 -33.272 -30.582
  967    HB2  HIS 128           HB2      HIS 128 -28.009 -35.058 -32.875
  968    HB3  HIS 128           HB1      HIS 128 -26.390 -34.415 -32.598
  969    HD2  HIS 128           HD2      HIS 128 -24.981 -35.697 -30.468
  970    HE1  HIS 128           HE1      HIS 128 -27.964 -38.557 -29.642
  971    HE2  HIS 128           HE2      HIS 128 -25.558 -37.887 -29.174
  972    H    SER 129           HN       SER 129 -29.914 -33.201 -32.879
  973    HA   SER 129           HA       SER 129 -29.202 -30.432 -33.541
  974    HB2  SER 129           HB2      SER 129 -28.028 -31.464 -35.300
  975    HB3  SER 129           HB1      SER 129 -29.267 -32.699 -35.528
  976    HG   SER 129           HG       SER 129 -30.577 -30.565 -35.884
  977    H    CYS 130           HN       CYS 130 -30.912 -29.190 -34.143
  978    HA   CYS 130           HA       CYS 130 -33.535 -30.430 -34.589
  979    HB2  CYS 130           HB2      CYS 130 -33.717 -30.159 -32.267
  980    HB3  CYS 130           HB1      CYS 130 -32.797 -28.655 -32.275
  981    HG   CYS 130           HG       CYS 130 -34.904 -27.410 -32.631
  982    H    LYS 131           HN       LYS 131 -34.844 -29.250 -35.909
  983    HA   LYS 131           HA       LYS 131 -33.871 -26.584 -36.780
  984    HB2  LYS 131           HB2      LYS 131 -35.065 -28.786 -38.475
  985    HB3  LYS 131           HB1      LYS 131 -34.732 -27.150 -39.041
  986    HG2  LYS 131           HG2      LYS 131 -32.316 -27.565 -38.199
  987    HG3  LYS 131           HG1      LYS 131 -32.771 -29.264 -38.156
  988    HD2  LYS 131           HD2      LYS 131 -33.078 -27.521 -40.617
  989    HD3  LYS 131           HD1      LYS 131 -31.661 -28.516 -40.303
  990    HE2  LYS 131           HE2      LYS 131 -34.509 -29.505 -40.598
  991    HE3  LYS 131           HE1      LYS 131 -33.191 -29.745 -41.741
  992    HZ1  LYS 131           HZ1      LYS 131 -33.409 -30.825 -38.994
  993    HZ2  LYS 131           HZ2      LYS 131 -31.973 -30.866 -39.897
  994    HZ3  LYS 131           HZ3      LYS 131 -33.349 -31.696 -40.448
  995    H    VAL 132           HN       VAL 132 -35.862 -25.776 -38.359
  996    HA   VAL 132           HA       VAL 132 -37.896 -24.719 -38.280
  997    HB   VAL 132           HB       VAL 132 -38.765 -27.255 -36.871
  998   HG11  VAL 132          HG11      VAL 132 -40.203 -25.014 -38.299
  999   HG12  VAL 132          HG12      VAL 132 -40.542 -25.707 -36.714
 1000   HG13  VAL 132          HG13      VAL 132 -40.919 -26.618 -38.176
 1001   HG21  VAL 132          HG21      VAL 132 -38.540 -26.574 -39.819
 1002   HG22  VAL 132          HG22      VAL 132 -39.349 -28.007 -39.185
 1003   HG23  VAL 132          HG23      VAL 132 -37.613 -27.797 -38.952
 1004    H    LEU 133           HN       LEU 133 -36.993 -23.172 -36.791
 1005    HA   LEU 133           HA       LEU 133 -37.788 -23.509 -33.966
 1006    HB2  LEU 133           HB2      LEU 133 -36.146 -21.263 -35.146
 1007    HB3  LEU 133           HB1      LEU 133 -36.276 -21.746 -33.458
 1008    HG   LEU 133           HG       LEU 133 -34.179 -22.592 -34.235
 1009   HD11  LEU 133          HD11      LEU 133 -35.733 -24.133 -32.915
 1010   HD12  LEU 133          HD12      LEU 133 -34.408 -24.912 -33.780
 1011   HD13  LEU 133          HD13      LEU 133 -36.036 -24.962 -34.440
 1012   HD21  LEU 133          HD21      LEU 133 -33.752 -23.386 -36.328
 1013   HD22  LEU 133          HD22      LEU 133 -35.265 -22.606 -36.768
 1014   HD23  LEU 133          HD23      LEU 133 -35.234 -24.329 -36.405
 1015    H    GLU 134           HN       GLU 134 -38.655 -21.508 -32.894
 1016    HA   GLU 134           HA       GLU 134 -40.316 -19.865 -34.697
 1017    HB2  GLU 134           HB2      GLU 134 -41.318 -22.006 -33.193
 1018    HB3  GLU 134           HB1      GLU 134 -41.737 -20.599 -32.229
 1019    HG2  GLU 134           HG2      GLU 134 -42.361 -20.948 -35.182
 1020    HG3  GLU 134           HG1      GLU 134 -43.499 -21.148 -33.863
 1021    H    GLY 135           HN       GLY 135 -39.698 -17.837 -34.308
 1022    HA2  GLY 135           HA2      GLY 135 -38.778 -16.018 -33.181
 1023    HA3  GLY 135           HA1      GLY 135 -40.166 -16.309 -32.136
 1024    H    VAL 136           HN       VAL 136 -39.898 -17.442 -30.214
 1025    HA   VAL 136           HA       VAL 136 -37.099 -17.743 -29.283
 1026    HB   VAL 136           HB       VAL 136 -39.487 -17.123 -27.567
 1027   HG11  VAL 136          HG11      VAL 136 -37.766 -16.452 -25.956
 1028   HG12  VAL 136          HG12      VAL 136 -36.507 -16.779 -27.146
 1029   HG13  VAL 136          HG13      VAL 136 -37.464 -18.104 -26.488
 1030   HG21  VAL 136          HG21      VAL 136 -39.283 -15.284 -29.109
 1031   HG22  VAL 136          HG22      VAL 136 -37.533 -15.242 -28.899
 1032   HG23  VAL 136          HG23      VAL 136 -38.594 -14.778 -27.569
 1033    H    TRP 137           HN       TRP 137 -36.659 -19.471 -27.867
 1034    HA   TRP 137           HA       TRP 137 -38.738 -21.560 -27.615
 1035    HB2  TRP 137           HB2      TRP 137 -37.230 -21.858 -29.698
 1036    HB3  TRP 137           HB1      TRP 137 -35.940 -22.222 -28.552
 1037    HD1  TRP 137           HD1      TRP 137 -36.021 -24.482 -27.282
 1038    HE1  TRP 137           HE1      TRP 137 -37.490 -26.596 -27.521
 1039    HE3  TRP 137           HE3      TRP 137 -39.689 -22.643 -30.298
 1040    HZ2  TRP 137           HZ2      TRP 137 -39.932 -27.373 -28.812
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.572 -24.080 -31.017
 1042    HH2  TRP 137           HH2      TRP 137 -41.692 -26.443 -30.276
 1043    H    ILE 138           HN       ILE 138 -37.975 -23.349 -26.165
 1044    HA   ILE 138           HA       ILE 138 -35.906 -22.579 -24.228
 1045    HB   ILE 138           HB       ILE 138 -38.803 -23.066 -23.502
 1046   HG12  ILE 138          HG12      ILE 138 -36.904 -20.786 -22.839
 1047   HG13  ILE 138          HG11      ILE 138 -38.120 -20.735 -24.110
 1048   HG21  ILE 138          HG21      ILE 138 -37.909 -22.835 -21.110
 1049   HG22  ILE 138          HG22      ILE 138 -36.309 -23.119 -21.788
 1050   HG23  ILE 138          HG23      ILE 138 -37.557 -24.356 -21.922
 1051   HD11  ILE 138          HD11      ILE 138 -38.483 -20.673 -21.148
 1052   HD12  ILE 138          HD12      ILE 138 -39.740 -21.456 -22.106
 1053   HD13  ILE 138          HD13      ILE 138 -39.329 -19.767 -22.398
 1054    H    PHE 139           HN       PHE 139 -34.669 -24.258 -23.826
 1055    HA   PHE 139           HA       PHE 139 -35.786 -27.000 -24.082
 1056    HB2  PHE 139           HB2      PHE 139 -33.332 -25.746 -25.084
 1057    HB3  PHE 139           HB1      PHE 139 -32.966 -27.173 -24.121
 1058    HD1  PHE 139           HD1      PHE 139 -35.979 -26.528 -26.277
 1059    HD2  PHE 139           HD2      PHE 139 -32.365 -28.784 -25.734
 1060    HE1  PHE 139           HE1      PHE 139 -36.625 -28.002 -28.149
 1061    HE2  PHE 139           HE2      PHE 139 -33.017 -30.269 -27.610
 1062    HZ   PHE 139           HZ       PHE 139 -35.144 -29.872 -28.822
 1063    H    TYR 140           HN       TYR 140 -35.855 -28.215 -22.375
 1064    HA   TYR 140           HA       TYR 140 -34.623 -27.201 -19.876
 1065    HB2  TYR 140           HB2      TYR 140 -37.078 -28.781 -20.562
 1066    HB3  TYR 140           HB1      TYR 140 -36.370 -28.978 -18.970
 1067    HD1  TYR 140           HD2      TYR 140 -35.844 -26.807 -17.651
 1068    HD2  TYR 140           HD1      TYR 140 -38.525 -26.961 -20.985
 1069    HE1  TYR 140           HE2      TYR 140 -36.898 -24.710 -16.887
 1070    HE2  TYR 140           HE1      TYR 140 -39.578 -24.853 -20.240
 1071    HH   TYR 140           HH       TYR 140 -39.838 -23.598 -18.052
 1072    H    GLU 141           HN       GLU 141 -32.742 -28.164 -19.445
 1073    HA   GLU 141           HA       GLU 141 -31.763 -30.511 -20.523
 1074    HB2  GLU 141           HB2      GLU 141 -30.489 -28.797 -19.180
 1075    HB3  GLU 141           HB1      GLU 141 -31.161 -29.538 -17.727
 1076    HG2  GLU 141           HG2      GLU 141 -30.192 -31.721 -18.420
 1077    HG3  GLU 141           HG1      GLU 141 -29.469 -30.928 -19.821
 1078    H    LEU 142           HN       LEU 142 -34.054 -30.089 -17.927
 1079    HA   LEU 142           HA       LEU 142 -33.994 -32.999 -17.374
 1080    HB2  LEU 142           HB2      LEU 142 -34.389 -30.653 -15.644
 1081    HB3  LEU 142           HB1      LEU 142 -35.478 -31.967 -15.315
 1082    HG   LEU 142           HG       LEU 142 -33.536 -33.493 -15.125
 1083   HD11  LEU 142          HD11      LEU 142 -31.266 -32.296 -14.912
 1084   HD12  LEU 142          HD12      LEU 142 -32.035 -30.940 -15.738
 1085   HD13  LEU 142          HD13      LEU 142 -31.901 -32.504 -16.542
 1086   HD21  LEU 142          HD21      LEU 142 -33.129 -31.039 -13.398
 1087   HD22  LEU 142          HD22      LEU 142 -32.817 -32.721 -12.969
 1088   HD23  LEU 142          HD23      LEU 142 -34.476 -32.157 -13.171
 1089    HA   PRO 143           HA       PRO 143 -38.065 -33.283 -19.005
 1090    HB2  PRO 143           HB2      PRO 143 -39.130 -35.355 -17.608
 1091    HB3  PRO 143           HB1      PRO 143 -37.797 -35.581 -18.759
 1092    HG2  PRO 143           HG2      PRO 143 -37.716 -35.420 -15.780
 1093    HG3  PRO 143           HG1      PRO 143 -36.807 -36.474 -16.879
 1094    HD2  PRO 143           HD2      PRO 143 -35.779 -34.173 -15.736
 1095    HD3  PRO 143           HD1      PRO 143 -35.179 -34.899 -17.230
 1096    H    ASN 144           HN       ASN 144 -40.373 -33.119 -18.483
 1097    HA   ASN 144           HA       ASN 144 -42.193 -32.329 -17.344
 1098    HB2  ASN 144           HB2      ASN 144 -40.526 -31.995 -14.855
 1099    HB3  ASN 144           HB1      ASN 144 -42.251 -32.287 -14.994
 1100   HD21  ASN 144          HD21      ASN 144 -39.120 -33.823 -14.885
 1101   HD22  ASN 144          HD22      ASN 144 -39.675 -35.422 -15.005
 1102    H    TYR 145           HN       TYR 145 -39.751 -30.673 -18.458
 1103    HA   TYR 145           HA       TYR 145 -39.575 -28.461 -18.968
 1104    HB2  TYR 145           HB2      TYR 145 -41.667 -27.662 -16.957
 1105    HB3  TYR 145           HB1      TYR 145 -41.294 -26.966 -18.528
 1106    HD1  TYR 145           HD2      TYR 145 -41.477 -28.818 -20.529
 1107    HD2  TYR 145           HD1      TYR 145 -43.691 -28.841 -16.849
 1108    HE1  TYR 145           HE2      TYR 145 -43.255 -30.158 -21.602
 1109    HE2  TYR 145           HE1      TYR 145 -45.451 -30.217 -17.921
 1110    HH   TYR 145           HH       TYR 145 -46.055 -31.337 -19.752
 1111    H    ARG 146           HN       ARG 146 -38.184 -29.866 -16.770
 1112    HA   ARG 146           HA       ARG 146 -37.538 -27.553 -15.013
 1113    HB2  ARG 146           HB2      ARG 146 -37.129 -30.492 -14.420
 1114    HB3  ARG 146           HB1      ARG 146 -36.899 -29.146 -13.309
 1115    HG2  ARG 146           HG2      ARG 146 -39.574 -29.636 -14.619
 1116    HG3  ARG 146           HG1      ARG 146 -39.114 -30.480 -13.147
 1117    HD2  ARG 146           HD2      ARG 146 -38.737 -28.315 -12.030
 1118    HD3  ARG 146           HD1      ARG 146 -39.217 -27.471 -13.495
 1119    HE   ARG 146           HE       ARG 146 -41.163 -29.345 -12.382
 1120   HH11  ARG 146          HH21      ARG 146 -40.010 -26.092 -12.698
 1121   HH12  ARG 146          HH22      ARG 146 -41.520 -25.369 -12.256
 1122   HH21  ARG 146          HH11      ARG 146 -43.145 -28.395 -11.794
 1123   HH22  ARG 146          HH12      ARG 146 -43.292 -26.670 -11.743
 1124    H    GLY 147           HN       GLY 147 -35.257 -27.703 -14.131
 1125    HA2  GLY 147           HA2      GLY 147 -32.952 -28.158 -14.470
 1126    HA3  GLY 147           HA1      GLY 147 -33.326 -28.831 -16.045
 1127    H    ARG 148           HN       ARG 148 -31.236 -27.162 -15.818
 1128    HA   ARG 148           HA       ARG 148 -31.560 -24.452 -16.150
 1129    HB2  ARG 148           HB2      ARG 148 -29.369 -25.600 -16.145
 1130    HB3  ARG 148           HB1      ARG 148 -29.715 -26.236 -17.757
 1131    HG2  ARG 148           HG2      ARG 148 -29.846 -23.977 -18.665
 1132    HG3  ARG 148           HG1      ARG 148 -29.635 -23.289 -17.054
 1133    HD2  ARG 148           HD2      ARG 148 -27.403 -24.257 -16.897
 1134    HD3  ARG 148           HD1      ARG 148 -27.615 -25.064 -18.449
 1135    HE   ARG 148           HE       ARG 148 -28.032 -22.340 -18.895
 1136   HH11  ARG 148          HH21      ARG 148 -25.535 -24.461 -17.786
 1137   HH12  ARG 148          HH22      ARG 148 -24.240 -23.481 -18.392
 1138   HH21  ARG 148          HH11      ARG 148 -26.346 -21.050 -19.693
 1139   HH22  ARG 148          HH12      ARG 148 -24.700 -21.548 -19.474
 1140    H    GLN 149           HN       GLN 149 -31.852 -23.097 -17.963
 1141    HA   GLN 149           HA       GLN 149 -33.405 -24.333 -20.161
 1142    HB2  GLN 149           HB2      GLN 149 -33.581 -21.614 -18.881
 1143    HB3  GLN 149           HB1      GLN 149 -34.403 -22.032 -20.386
 1144    HG2  GLN 149           HG2      GLN 149 -35.590 -23.850 -19.255
 1145    HG3  GLN 149           HG1      GLN 149 -34.738 -23.492 -17.750
 1146   HE21  GLN 149          HE21      GLN 149 -36.094 -22.381 -16.360
 1147   HE22  GLN 149          HE22      GLN 149 -37.194 -21.169 -16.828
 1148    H    TYR 150           HN       TYR 150 -32.590 -24.196 -22.149
 1149    HA   TYR 150           HA       TYR 150 -30.230 -22.483 -22.611
 1150    HB2  TYR 150           HB2      TYR 150 -31.402 -24.764 -24.219
 1151    HB3  TYR 150           HB1      TYR 150 -29.996 -23.815 -24.704
 1152    HD1  TYR 150           HD2      TYR 150 -28.002 -23.699 -23.115
 1153    HD2  TYR 150           HD1      TYR 150 -31.171 -26.568 -22.696
 1154    HE1  TYR 150           HE2      TYR 150 -26.540 -25.101 -21.686
 1155    HE2  TYR 150           HE1      TYR 150 -29.707 -27.972 -21.265
 1156    HH   TYR 150           HH       TYR 150 -26.324 -27.053 -20.640
 1157    H    LEU 151           HN       LEU 151 -30.173 -20.929 -24.257
 1158    HA   LEU 151           HA       LEU 151 -32.361 -20.581 -26.068
 1159    HB2  LEU 151           HB2      LEU 151 -33.122 -19.655 -23.743
 1160    HB3  LEU 151           HB1      LEU 151 -32.028 -18.318 -24.103
 1161    HG   LEU 151           HG       LEU 151 -34.305 -19.252 -25.879
 1162   HD11  LEU 151          HD11      LEU 151 -35.272 -18.166 -24.003
 1163   HD12  LEU 151          HD12      LEU 151 -35.171 -16.916 -25.242
 1164   HD13  LEU 151          HD13      LEU 151 -33.989 -16.958 -23.937
 1165   HD21  LEU 151          HD21      LEU 151 -32.727 -18.307 -27.346
 1166   HD22  LEU 151          HD22      LEU 151 -32.175 -17.128 -26.154
 1167   HD23  LEU 151          HD23      LEU 151 -33.740 -16.923 -26.939
 1168    H    LEU 152           HN       LEU 152 -31.026 -20.268 -27.788
 1169    HA   LEU 152           HA       LEU 152 -29.089 -18.029 -27.623
 1170    HB2  LEU 152           HB2      LEU 152 -27.939 -20.250 -27.661
 1171    HB3  LEU 152           HB1      LEU 152 -28.716 -20.585 -29.206
 1172    HG   LEU 152           HG       LEU 152 -27.642 -18.538 -30.154
 1173   HD11  LEU 152          HD11      LEU 152 -26.643 -18.328 -27.329
 1174   HD12  LEU 152          HD12      LEU 152 -27.159 -17.055 -28.437
 1175   HD13  LEU 152          HD13      LEU 152 -25.577 -17.800 -28.632
 1176   HD21  LEU 152          HD21      LEU 152 -25.265 -19.483 -30.038
 1177   HD22  LEU 152          HD22      LEU 152 -26.519 -20.601 -30.571
 1178   HD23  LEU 152          HD23      LEU 152 -25.905 -20.686 -28.920
 1179    H    ASP 153           HN       ASP 153 -29.215 -16.555 -29.195
 1180    HA   ASP 153           HA       ASP 153 -31.400 -16.740 -31.090
 1181    HB2  ASP 153           HB2      ASP 153 -29.359 -14.605 -30.463
 1182    HB3  ASP 153           HB1      ASP 153 -30.535 -14.443 -31.766
 1183    H    LYS 154           HN       LYS 154 -30.746 -18.437 -32.469
 1184    HA   LYS 154           HA       LYS 154 -28.537 -17.725 -34.320
 1185    HB2  LYS 154           HB2      LYS 154 -28.273 -19.793 -32.686
 1186    HB3  LYS 154           HB1      LYS 154 -29.328 -20.590 -33.848
 1187    HG2  LYS 154           HG2      LYS 154 -27.239 -21.071 -34.772
 1188    HG3  LYS 154           HG1      LYS 154 -27.632 -19.582 -35.627
 1189    HD2  LYS 154           HD2      LYS 154 -26.295 -18.279 -34.046
 1190    HD3  LYS 154           HD1      LYS 154 -25.971 -19.725 -33.092
 1191    HE2  LYS 154           HE2      LYS 154 -24.051 -19.314 -34.517
 1192    HE3  LYS 154           HE1      LYS 154 -24.891 -20.744 -35.118
 1193    HZ1  LYS 154           HZ1      LYS 154 -25.375 -18.015 -36.165
 1194    HZ2  LYS 154           HZ2      LYS 154 -25.902 -19.487 -36.827
 1195    HZ3  LYS 154           HZ3      LYS 154 -24.251 -19.085 -36.848
 1196    H    LYS 155           HN       LYS 155 -29.290 -20.193 -35.845
 1197    HA   LYS 155           HA       LYS 155 -31.920 -19.440 -36.942
 1198    HB2  LYS 155           HB2      LYS 155 -29.356 -19.621 -38.547
 1199    HB3  LYS 155           HB1      LYS 155 -30.973 -19.497 -39.242
 1200    HG2  LYS 155           HG2      LYS 155 -31.308 -17.350 -38.055
 1201    HG3  LYS 155           HG1      LYS 155 -29.676 -17.469 -37.398
 1202    HD2  LYS 155           HD2      LYS 155 -28.762 -17.496 -39.700
 1203    HD3  LYS 155           HD1      LYS 155 -30.398 -17.318 -40.335
 1204    HE2  LYS 155           HE2      LYS 155 -30.641 -15.179 -39.146
 1205    HE3  LYS 155           HE1      LYS 155 -29.020 -15.358 -38.476
 1206    HZ1  LYS 155           HZ1      LYS 155 -29.823 -14.446 -41.059
 1207    HZ2  LYS 155           HZ2      LYS 155 -28.694 -15.713 -41.162
 1208    HZ3  LYS 155           HZ3      LYS 155 -28.321 -14.306 -40.285
 1209    H    GLU 156           HN       GLU 156 -29.675 -21.758 -35.999
 1210    HA   GLU 156           HA       GLU 156 -31.397 -23.932 -36.558
 1211    HB2  GLU 156           HB2      GLU 156 -30.353 -23.316 -38.888
 1212    HB3  GLU 156           HB1      GLU 156 -28.912 -24.102 -38.258
 1213    HG2  GLU 156           HG2      GLU 156 -30.234 -26.136 -37.783
 1214    HG3  GLU 156           HG1      GLU 156 -31.669 -25.342 -38.431
 1215    H    TYR 157           HN       TYR 157 -30.424 -26.038 -35.965
 1216    HA   TYR 157           HA       TYR 157 -27.983 -25.770 -34.322
 1217    HB2  TYR 157           HB2      TYR 157 -30.345 -27.433 -33.480
 1218    HB3  TYR 157           HB1      TYR 157 -28.927 -26.990 -32.528
 1219    HD1  TYR 157           HD2      TYR 157 -28.606 -24.121 -32.914
 1220    HD2  TYR 157           HD1      TYR 157 -32.233 -26.402 -32.559
 1221    HE1  TYR 157           HE2      TYR 157 -29.786 -22.112 -32.119
 1222    HE2  TYR 157           HE1      TYR 157 -33.414 -24.379 -31.753
 1223    HH   TYR 157           HH       TYR 157 -32.787 -21.594 -32.199
 1224    H    ARG 158           HN       ARG 158 -26.505 -26.904 -35.307
 1225    HA   ARG 158           HA       ARG 158 -27.223 -29.530 -36.476
 1226    HB2  ARG 158           HB2      ARG 158 -25.260 -29.300 -37.871
 1227    HB3  ARG 158           HB1      ARG 158 -26.234 -27.841 -38.019
 1228    HG2  ARG 158           HG2      ARG 158 -24.777 -26.765 -36.277
 1229    HG3  ARG 158           HG1      ARG 158 -23.746 -28.196 -36.336
 1230    HD2  ARG 158           HD2      ARG 158 -23.339 -27.838 -38.721
 1231    HD3  ARG 158           HD1      ARG 158 -24.395 -26.429 -38.705
 1232    HE   ARG 158           HE       ARG 158 -22.404 -26.059 -36.753
 1233   HH11  ARG 158          HH21      ARG 158 -22.787 -26.339 -40.179
 1234   HH12  ARG 158          HH22      ARG 158 -21.432 -25.325 -40.553
 1235   HH21  ARG 158          HH11      ARG 158 -20.631 -24.727 -37.232
 1236   HH22  ARG 158          HH12      ARG 158 -20.211 -24.411 -38.883
 1237    H    LYS 159           HN       LYS 159 -25.384 -27.962 -34.010
 1238    HA   LYS 159           HA       LYS 159 -24.128 -30.558 -33.312
 1239    HB2  LYS 159           HB2      LYS 159 -22.381 -28.969 -32.151
 1240    HB3  LYS 159           HB1      LYS 159 -22.267 -29.267 -33.884
 1241    HG2  LYS 159           HG2      LYS 159 -23.540 -27.156 -34.288
 1242    HG3  LYS 159           HG1      LYS 159 -23.570 -26.894 -32.556
 1243    HD2  LYS 159           HD2      LYS 159 -21.153 -26.766 -32.472
 1244    HD3  LYS 159           HD1      LYS 159 -21.051 -27.135 -34.194
 1245    HE2  LYS 159           HE2      LYS 159 -22.586 -24.751 -33.139
 1246    HE3  LYS 159           HE1      LYS 159 -20.877 -24.658 -33.568
 1247    HZ1  LYS 159           HZ1      LYS 159 -21.856 -24.095 -35.538
 1248    HZ2  LYS 159           HZ2      LYS 159 -23.208 -25.094 -35.295
 1249    HZ3  LYS 159           HZ3      LYS 159 -21.717 -25.773 -35.749
 1250    HA   PRO 160           HA       PRO 160 -26.140 -30.356 -29.430
 1251    HB2  PRO 160           HB2      PRO 160 -24.077 -31.108 -27.700
 1252    HB3  PRO 160           HB1      PRO 160 -25.085 -32.201 -28.631
 1253    HG2  PRO 160           HG2      PRO 160 -22.368 -31.211 -29.238
 1254    HG3  PRO 160           HG1      PRO 160 -23.057 -32.823 -29.496
 1255    HD2  PRO 160           HD2      PRO 160 -22.745 -31.091 -31.522
 1256    HD3  PRO 160           HD1      PRO 160 -24.127 -32.185 -31.465
 1257    H    ILE 161           HN       ILE 161 -23.275 -28.477 -29.932
 1258    HA   ILE 161           HA       ILE 161 -23.724 -26.922 -27.482
 1259    HB   ILE 161           HB       ILE 161 -21.541 -26.621 -29.557
 1260   HG12  ILE 161          HG12      ILE 161 -20.377 -27.855 -27.369
 1261   HG13  ILE 161          HG11      ILE 161 -21.950 -28.644 -27.400
 1262   HG21  ILE 161          HG21      ILE 161 -21.986 -25.598 -26.748
 1263   HG22  ILE 161          HG22      ILE 161 -21.641 -24.677 -28.211
 1264   HG23  ILE 161          HG23      ILE 161 -20.380 -25.658 -27.471
 1265   HD11  ILE 161          HD11      ILE 161 -21.556 -29.107 -29.865
 1266   HD12  ILE 161          HD12      ILE 161 -20.460 -29.953 -28.772
 1267   HD13  ILE 161          HD13      ILE 161 -19.906 -28.524 -29.640
 1268    H    ASP 162           HN       ASP 162 -24.719 -26.942 -30.667
 1269    HA   ASP 162           HA       ASP 162 -24.487 -24.310 -31.498
 1270    HB2  ASP 162           HB2      ASP 162 -25.653 -26.476 -32.630
 1271    HB3  ASP 162           HB1      ASP 162 -27.088 -25.641 -32.107
 1272    H    TRP 163           HN       TRP 163 -26.721 -25.750 -29.205
 1273    HA   TRP 163           HA       TRP 163 -28.110 -23.162 -28.899
 1274    HB2  TRP 163           HB2      TRP 163 -29.631 -24.621 -27.407
 1275    HB3  TRP 163           HB1      TRP 163 -29.713 -24.839 -29.158
 1276    HD1  TRP 163           HD1      TRP 163 -27.505 -26.285 -26.338
 1277    HE1  TRP 163           HE1      TRP 163 -27.320 -28.840 -26.707
 1278    HE3  TRP 163           HE3      TRP 163 -30.268 -26.809 -30.611
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.191 -30.806 -28.515
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.556 -29.051 -31.641
 1281    HH2  TRP 163           HH2      TRP 163 -29.497 -31.034 -30.593
 1282    H    GLY 164           HN       GLY 164 -25.346 -23.906 -27.880
 1283    HA2  GLY 164           HA2      GLY 164 -24.129 -23.229 -26.061
 1284    HA3  GLY 164           HA1      GLY 164 -25.607 -22.533 -25.417
 1285    H    ALA 165           HN       ALA 165 -25.343 -25.986 -26.157
 1286    HA   ALA 165           HA       ALA 165 -25.448 -26.521 -23.230
 1287    HB1  ALA 165           HB1      ALA 165 -27.401 -27.381 -24.397
 1288    HB2  ALA 165           HB2      ALA 165 -26.393 -28.702 -23.819
 1289    HB3  ALA 165           HB3      ALA 165 -26.344 -28.246 -25.509
 1290    H    ALA 166           HN       ALA 166 -23.962 -27.782 -22.291
 1291    HA   ALA 166           HA       ALA 166 -21.535 -28.301 -23.746
 1292    HB1  ALA 166           HB1      ALA 166 -20.709 -29.144 -21.585
 1293    HB2  ALA 166           HB2      ALA 166 -22.336 -29.017 -20.914
 1294    HB3  ALA 166           HB3      ALA 166 -21.469 -27.561 -21.409
 1295    H    SER 167           HN       SER 167 -24.093 -29.766 -24.449
 1296    HA   SER 167           HA       SER 167 -23.079 -32.150 -25.288
 1297    HB2  SER 167           HB2      SER 167 -23.769 -32.219 -22.412
 1298    HB3  SER 167           HB1      SER 167 -24.341 -33.591 -23.356
 1299    HG   SER 167           HG       SER 167 -22.293 -34.095 -23.882
 1300    HA   PRO 168           HA       PRO 168 -27.215 -32.363 -26.924
 1301    HB2  PRO 168           HB2      PRO 168 -27.342 -34.972 -27.738
 1302    HB3  PRO 168           HB1      PRO 168 -26.381 -33.766 -28.579
 1303    HG2  PRO 168           HG2      PRO 168 -25.503 -35.820 -26.627
 1304    HG3  PRO 168           HG1      PRO 168 -24.711 -35.278 -28.114
 1305    HD2  PRO 168           HD2      PRO 168 -23.932 -34.431 -25.621
 1306    HD3  PRO 168           HD1      PRO 168 -23.745 -33.438 -27.083
 1307    H    ALA 169           HN       ALA 169 -26.211 -34.182 -24.237
 1308    HA   ALA 169           HA       ALA 169 -28.478 -35.756 -23.708
 1309    HB1  ALA 169           HB1      ALA 169 -26.679 -34.499 -21.627
 1310    HB2  ALA 169           HB2      ALA 169 -26.220 -35.918 -22.568
 1311    HB3  ALA 169           HB3      ALA 169 -27.609 -35.990 -21.483
 1312    H    VAL 170           HN       VAL 170 -30.057 -34.021 -24.464
 1313    HA   VAL 170           HA       VAL 170 -30.764 -32.180 -22.272
 1314    HB   VAL 170           HB       VAL 170 -32.076 -32.260 -24.984
 1315   HG11  VAL 170          HG11      VAL 170 -31.613 -29.651 -23.704
 1316   HG12  VAL 170          HG12      VAL 170 -32.523 -30.727 -22.659
 1317   HG13  VAL 170          HG13      VAL 170 -33.124 -30.366 -24.266
 1318   HG21  VAL 170          HG21      VAL 170 -29.337 -31.283 -24.245
 1319   HG22  VAL 170          HG22      VAL 170 -30.293 -30.253 -25.309
 1320   HG23  VAL 170          HG23      VAL 170 -29.929 -31.905 -25.784
 1321    H    GLN 171           HN       GLN 171 -33.520 -32.036 -23.154
 1322    HA   GLN 171           HA       GLN 171 -34.634 -34.673 -22.766
 1323    HB2  GLN 171           HB2      GLN 171 -34.930 -32.530 -20.665
 1324    HB3  GLN 171           HB1      GLN 171 -36.063 -33.861 -20.815
 1325    HG2  GLN 171           HG2      GLN 171 -33.087 -34.216 -20.424
 1326    HG3  GLN 171           HG1      GLN 171 -34.273 -34.298 -19.168
 1327   HE21  GLN 171          HE21      GLN 171 -32.758 -36.140 -21.638
 1328   HE22  GLN 171          HE22      GLN 171 -33.751 -37.513 -21.522
 1329    H    SER 172           HN       SER 172 -37.003 -32.838 -21.687
 1330    HA   SER 172           HA       SER 172 -38.171 -32.594 -24.356
 1331    HB2  SER 172           HB2      SER 172 -40.184 -32.902 -23.324
 1332    HB3  SER 172           HB1      SER 172 -39.119 -33.751 -22.220
 1333    HG   SER 172           HG       SER 172 -39.502 -32.294 -20.754
 1334    H    PHE 173           HN       PHE 173 -40.236 -30.802 -23.523
 1335    HA   PHE 173           HA       PHE 173 -39.109 -28.323 -22.741
 1336    HB2  PHE 173           HB2      PHE 173 -39.170 -27.179 -24.927
 1337    HB3  PHE 173           HB1      PHE 173 -37.965 -28.473 -24.885
 1338    HD1  PHE 173           HD1      PHE 173 -41.356 -27.561 -26.065
 1339    HD2  PHE 173           HD2      PHE 173 -38.175 -30.439 -26.223
 1340    HE1  PHE 173           HE1      PHE 173 -42.464 -28.683 -27.975
 1341    HE2  PHE 173           HE2      PHE 173 -39.284 -31.561 -28.134
 1342    HZ   PHE 173           HZ       PHE 173 -41.429 -30.683 -29.012
 1343    H    ARG 174           HN       ARG 174 -40.627 -26.464 -23.676
 1344    HA   ARG 174           HA       ARG 174 -43.375 -27.312 -24.007
 1345    HB2  ARG 174           HB2      ARG 174 -44.086 -25.911 -22.001
 1346    HB3  ARG 174           HB1      ARG 174 -43.383 -27.492 -21.665
 1347    HG2  ARG 174           HG2      ARG 174 -41.344 -26.588 -20.929
 1348    HG3  ARG 174           HG1      ARG 174 -41.592 -25.068 -21.774
 1349    HD2  ARG 174           HD2      ARG 174 -43.240 -25.984 -19.404
 1350    HD3  ARG 174           HD1      ARG 174 -41.873 -24.873 -19.302
 1351    HE   ARG 174           HE       ARG 174 -43.594 -23.815 -21.210
 1352   HH11  ARG 174          HH21      ARG 174 -43.612 -24.659 -17.851
 1353   HH12  ARG 174          HH22      ARG 174 -44.763 -23.442 -17.409
 1354   HH21  ARG 174          HH11      ARG 174 -45.099 -22.216 -20.637
 1355   HH22  ARG 174          HH12      ARG 174 -45.605 -22.059 -18.987
 1356    H    ARG 175           HN       ARG 175 -44.386 -25.892 -25.271
 1357    HA   ARG 175           HA       ARG 175 -43.144 -23.723 -26.445
 1358    HB2  ARG 175           HB2      ARG 175 -45.348 -23.094 -27.246
 1359    HB3  ARG 175           HB1      ARG 175 -45.251 -24.853 -27.240
 1360    HG2  ARG 175           HG2      ARG 175 -46.311 -24.777 -24.929
 1361    HG3  ARG 175           HG1      ARG 175 -46.660 -23.082 -25.252
 1362    HD2  ARG 175           HD2      ARG 175 -47.886 -23.734 -27.307
 1363    HD3  ARG 175           HD1      ARG 175 -47.571 -25.426 -26.933
 1364    HE   ARG 175           HE       ARG 175 -49.123 -25.308 -25.177
 1365   HH11  ARG 175          HH21      ARG 175 -48.554 -22.222 -26.643
 1366   HH12  ARG 175          HH22      ARG 175 -49.922 -21.467 -25.899
 1367   HH21  ARG 175          HH11      ARG 175 -50.909 -24.315 -24.190
 1368   HH22  ARG 175          HH12      ARG 175 -51.251 -22.648 -24.513
 1369    H    ILE 176           HN       ILE 176 -42.695 -21.773 -25.871
 1370    HA   ILE 176           HA       ILE 176 -43.015 -20.803 -23.238
 1371    HB   ILE 176           HB       ILE 176 -42.570 -19.065 -25.670
 1372   HG12  ILE 176          HG12      ILE 176 -40.594 -20.780 -24.137
 1373   HG13  ILE 176          HG11      ILE 176 -41.036 -20.951 -25.836
 1374   HG21  ILE 176          HG21      ILE 176 -41.470 -17.605 -24.146
 1375   HG22  ILE 176          HG22      ILE 176 -41.415 -18.838 -22.888
 1376   HG23  ILE 176          HG23      ILE 176 -42.952 -18.096 -23.326
 1377   HD11  ILE 176          HD11      ILE 176 -39.377 -18.823 -24.522
 1378   HD12  ILE 176          HD12      ILE 176 -40.279 -18.438 -25.976
 1379   HD13  ILE 176          HD13      ILE 176 -39.073 -19.718 -26.010
 1380    H    VAL 177           HN       VAL 177 -44.668 -19.803 -22.263
 1381    HA   VAL 177           HA       VAL 177 -46.727 -18.460 -23.894
 1382    HB   VAL 177           HB       VAL 177 -48.430 -19.576 -22.279
 1383   HG11  VAL 177          HG11      VAL 177 -48.353 -21.713 -23.772
 1384   HG12  VAL 177          HG12      VAL 177 -47.013 -20.905 -24.583
 1385   HG13  VAL 177          HG13      VAL 177 -48.605 -20.153 -24.552
 1386   HG21  VAL 177          HG21      VAL 177 -46.534 -20.517 -20.854
 1387   HG22  VAL 177          HG22      VAL 177 -46.225 -21.650 -22.169
 1388   HG23  VAL 177          HG23      VAL 177 -47.773 -21.679 -21.326
 1389    H    GLU 178           HN       GLU 178 -47.944 -16.906 -22.757
 1390    HA   GLU 178           HA       GLU 178 -47.627 -16.358 -20.003
 1391    HB2  GLU 178           HB2      GLU 178 -45.330 -15.733 -20.936
 1392    HB3  GLU 178           HB1      GLU 178 -46.147 -14.426 -21.795
 1393    HG2  GLU 178           HG2      GLU 178 -46.413 -14.820 -18.808
 1394    HG3  GLU 178           HG1      GLU 178 -45.160 -13.818 -19.525
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1 -50.585   0.382 -19.597
    2    H2   GLY   1           HT2      GLY   1 -50.640   1.107 -21.134
    3    H3   GLY   1           HT3      GLY   1 -50.000   1.959 -19.812
    4    HA2  GLY   1           HA2      GLY   1 -48.661   0.295 -21.622
    5    HA3  GLY   1           HA1      GLY   1 -47.988   1.195 -20.261
    6    H    SER   2           HN       SER   2 -48.985  -1.885 -21.431
    7    HA   SER   2           HA       SER   2 -47.900  -3.179 -19.017
    8    HB2  SER   2           HB2      SER   2 -50.652  -3.604 -20.172
    9    HB3  SER   2           HB1      SER   2 -49.844  -4.861 -19.238
   10    HG   SER   2           HG       SER   2 -49.962  -2.229 -18.256
   11    H    LYS   3           HN       LYS   3 -49.665  -4.368 -21.855
   12    HA   LYS   3           HA       LYS   3 -47.558  -6.299 -22.399
   13    HB2  LYS   3           HB2      LYS   3 -49.102  -7.045 -24.211
   14    HB3  LYS   3           HB1      LYS   3 -49.836  -7.078 -22.608
   15    HG2  LYS   3           HG2      LYS   3 -50.868  -4.861 -23.060
   16    HG3  LYS   3           HG1      LYS   3 -50.184  -4.887 -24.682
   17    HD2  LYS   3           HD2      LYS   3 -52.025  -7.046 -23.625
   18    HD3  LYS   3           HD1      LYS   3 -52.604  -5.639 -24.512
   19    HE2  LYS   3           HE2      LYS   3 -50.942  -6.322 -26.356
   20    HE3  LYS   3           HE1      LYS   3 -50.808  -7.860 -25.504
   21    HZ1  LYS   3           HZ1      LYS   3 -53.515  -6.991 -25.875
   22    HZ2  LYS   3           HZ2      LYS   3 -52.801  -8.500 -26.193
   23    HZ3  LYS   3           HZ3      LYS   3 -52.692  -7.248 -27.335
   24    H    THR   4           HN       THR   4 -46.433  -3.885 -22.711
   25    HA   THR   4           HA       THR   4 -46.019  -3.716 -25.633
   26    HB   THR   4           HB       THR   4 -46.094  -1.325 -25.624
   27    HG1  THR   4           HG1      THR   4 -46.053  -1.720 -22.859
   28   HG21  THR   4          HG21      THR   4 -48.294  -2.667 -25.552
   29   HG22  THR   4          HG22      THR   4 -48.395  -0.941 -25.195
   30   HG23  THR   4          HG23      THR   4 -48.427  -2.116 -23.881
   31    H    GLY   5           HN       GLY   5 -44.862  -2.617 -22.440
   32    HA2  GLY   5           HA2      GLY   5 -42.071  -2.950 -23.412
   33    HA3  GLY   5           HA1      GLY   5 -42.563  -1.710 -22.263
   34    H    THR   6           HN       THR   6 -40.821  -4.337 -22.312
   35    HA   THR   6           HA       THR   6 -41.968  -5.842 -20.113
   36    HB   THR   6           HB       THR   6 -39.777  -7.092 -20.279
   37    HG1  THR   6           HG1      THR   6 -39.463  -5.343 -22.490
   38   HG21  THR   6          HG21      THR   6 -40.382  -8.206 -22.334
   39   HG22  THR   6          HG22      THR   6 -41.252  -6.781 -22.904
   40   HG23  THR   6          HG23      THR   6 -41.871  -7.704 -21.533
   41    H    LYS   7           HN       LYS   7 -40.826  -6.162 -18.096
   42    HA   LYS   7           HA       LYS   7 -38.746  -4.296 -17.342
   43    HB2  LYS   7           HB2      LYS   7 -40.442  -2.732 -16.970
   44    HB3  LYS   7           HB1      LYS   7 -41.564  -3.953 -16.370
   45    HG2  LYS   7           HG2      LYS   7 -40.449  -4.130 -14.287
   46    HG3  LYS   7           HG1      LYS   7 -38.979  -3.368 -14.910
   47    HD2  LYS   7           HD2      LYS   7 -39.967  -1.218 -14.920
   48    HD3  LYS   7           HD1      LYS   7 -41.599  -1.866 -14.798
   49    HE2  LYS   7           HE2      LYS   7 -41.296  -2.492 -12.524
   50    HE3  LYS   7           HE1      LYS   7 -39.548  -2.290 -12.618
   51    HZ1  LYS   7           HZ1      LYS   7 -39.718  -0.015 -12.570
   52    HZ2  LYS   7           HZ2      LYS   7 -41.006  -0.452 -11.554
   53    HZ3  LYS   7           HZ3      LYS   7 -41.307   0.004 -13.162
   54    H    ILE   8           HN       ILE   8 -37.700  -4.816 -15.429
   55    HA   ILE   8           HA       ILE   8 -38.657  -7.119 -13.910
   56    HB   ILE   8           HB       ILE   8 -37.225  -7.988 -15.782
   57   HG12  ILE   8          HG12      ILE   8 -35.832  -8.420 -13.135
   58   HG13  ILE   8          HG11      ILE   8 -37.474  -9.004 -13.375
   59   HG21  ILE   8          HG21      ILE   8 -35.636  -6.141 -15.933
   60   HG22  ILE   8          HG22      ILE   8 -34.801  -7.647 -15.561
   61   HG23  ILE   8          HG23      ILE   8 -35.062  -6.470 -14.299
   62   HD11  ILE   8          HD11      ILE   8 -36.838 -10.509 -15.057
   63   HD12  ILE   8          HD12      ILE   8 -35.490 -10.601 -13.928
   64   HD13  ILE   8          HD13      ILE   8 -35.339  -9.646 -15.401
   65    H    THR   9           HN       THR   9 -38.075  -7.177 -11.793
   66    HA   THR   9           HA       THR   9 -36.172  -5.116 -10.906
   67    HB   THR   9           HB       THR   9 -38.780  -5.883  -9.583
   68    HG1  THR   9           HG1      THR   9 -39.464  -4.312 -10.768
   69   HG21  THR   9          HG21      THR   9 -36.549  -4.021  -8.727
   70   HG22  THR   9          HG22      THR   9 -37.094  -5.467  -7.889
   71   HG23  THR   9          HG23      THR   9 -38.143  -4.056  -7.981
   72    H    PHE  10           HN       PHE  10 -34.714  -5.724  -9.400
   73    HA   PHE  10           HA       PHE  10 -34.850  -8.524  -8.431
   74    HB2  PHE  10           HB2      PHE  10 -32.397  -6.845  -8.979
   75    HB3  PHE  10           HB1      PHE  10 -32.426  -8.545  -8.514
   76    HD1  PHE  10           HD2      PHE  10 -33.478 -10.224 -10.102
   77    HD2  PHE  10           HD1      PHE  10 -32.661  -6.169 -11.238
   78    HE1  PHE  10           HE2      PHE  10 -33.665 -10.858 -12.494
   79    HE2  PHE  10           HE1      PHE  10 -32.847  -6.804 -13.631
   80    HZ   PHE  10           HZ       PHE  10 -33.358  -9.141 -14.256
   81    H    TYR  11           HN       TYR  11 -35.325  -8.525  -6.298
   82    HA   TYR  11           HA       TYR  11 -34.610  -6.207  -4.653
   83    HB2  TYR  11           HB2      TYR  11 -36.410  -8.596  -4.240
   84    HB3  TYR  11           HB1      TYR  11 -36.074  -7.417  -2.987
   85    HD1  TYR  11           HD2      TYR  11 -36.864  -5.113  -3.151
   86    HD2  TYR  11           HD1      TYR  11 -37.755  -7.999  -6.210
   87    HE1  TYR  11           HE2      TYR  11 -38.629  -3.618  -4.052
   88    HE2  TYR  11           HE1      TYR  11 -39.528  -6.510  -7.097
   89    HH   TYR  11           HH       TYR  11 -39.911  -3.229  -5.976
   90    H    GLU  12           HN       GLU  12 -33.214  -6.273  -3.015
   91    HA   GLU  12           HA       GLU  12 -31.189  -8.216  -2.978
   92    HB2  GLU  12           HB2      GLU  12 -31.311  -5.744  -2.041
   93    HB3  GLU  12           HB1      GLU  12 -31.737  -6.553  -0.541
   94    HG2  GLU  12           HG2      GLU  12 -29.293  -7.292  -2.181
   95    HG3  GLU  12           HG1      GLU  12 -29.259  -6.093  -0.905
   96    H    ASP  13           HN       ASP  13 -33.888  -7.647  -0.709
   97    HA   ASP  13           HA       ASP  13 -33.386 -10.271   0.501
   98    HB2  ASP  13           HB2      ASP  13 -35.112  -7.929   1.302
   99    HB3  ASP  13           HB1      ASP  13 -35.175  -9.494   2.115
  100    H    LYS  14           HN       LYS  14 -35.671 -11.176   1.269
  101    HA   LYS  14           HA       LYS  14 -36.980 -11.971  -1.179
  102    HB2  LYS  14           HB2      LYS  14 -37.373 -12.775   1.699
  103    HB3  LYS  14           HB1      LYS  14 -38.297 -13.441   0.355
  104    HG2  LYS  14           HG2      LYS  14 -36.604 -15.020   0.388
  105    HG3  LYS  14           HG1      LYS  14 -35.809 -13.844  -0.646
  106    HD2  LYS  14           HD2      LYS  14 -34.145 -14.181   0.942
  107    HD3  LYS  14           HD1      LYS  14 -35.001 -12.830   1.679
  108    HE2  LYS  14           HE2      LYS  14 -34.850 -14.338   3.465
  109    HE3  LYS  14           HE1      LYS  14 -36.446 -14.713   2.815
  110    HZ1  LYS  14           HZ1      LYS  14 -35.515 -16.529   1.578
  111    HZ2  LYS  14           HZ2      LYS  14 -35.074 -16.696   3.210
  112    HZ3  LYS  14           HZ3      LYS  14 -33.944 -16.130   2.074
  113    H    ASN  15           HN       ASN  15 -39.486 -12.370  -0.718
  114    HA   ASN  15           HA       ASN  15 -41.497 -11.300  -0.941
  115    HB2  ASN  15           HB2      ASN  15 -40.721  -9.837   1.576
  116    HB3  ASN  15           HB1      ASN  15 -42.308 -10.413   1.078
  117   HD21  ASN  15          HD21      ASN  15 -40.828 -13.014   0.161
  118   HD22  ASN  15          HD22      ASN  15 -40.658 -13.875   1.617
  119    H    PHE  16           HN       PHE  16 -39.101  -9.920  -2.069
  120    HA   PHE  16           HA       PHE  16 -38.625  -8.000  -3.152
  121    HB2  PHE  16           HB2      PHE  16 -41.375  -6.915  -2.672
  122    HB3  PHE  16           HB1      PHE  16 -40.370  -6.820  -4.118
  123    HD1  PHE  16           HD2      PHE  16 -39.858  -9.012  -5.357
  124    HD2  PHE  16           HD1      PHE  16 -43.008  -8.608  -2.475
  125    HE1  PHE  16           HE2      PHE  16 -40.965 -11.027  -6.288
  126    HE2  PHE  16           HE1      PHE  16 -44.120 -10.620  -3.408
  127    HZ   PHE  16           HZ       PHE  16 -43.094 -11.828  -5.311
  128    H    GLN  17           HN       GLN  17 -37.917  -8.046  -0.462
  129    HA   GLN  17           HA       GLN  17 -38.529  -5.327   0.512
  130    HB2  GLN  17           HB2      GLN  17 -37.550  -7.810   1.928
  131    HB3  GLN  17           HB1      GLN  17 -37.644  -6.219   2.683
  132    HG2  GLN  17           HG2      GLN  17 -40.034  -6.119   2.323
  133    HG3  GLN  17           HG1      GLN  17 -40.000  -7.610   1.380
  134   HE21  GLN  17          HE21      GLN  17 -38.902  -9.529   2.719
  135   HE22  GLN  17          HE22      GLN  17 -39.422  -9.660   4.333
  136    H    GLY  18           HN       GLY  18 -36.729  -4.288   1.695
  137    HA2  GLY  18           HA2      GLY  18 -34.547  -3.575   1.900
  138    HA3  GLY  18           HA1      GLY  18 -34.035  -5.043   1.080
  139    H    ARG  19           HN       ARG  19 -32.569  -3.877  -0.074
  140    HA   ARG  19           HA       ARG  19 -33.100  -1.625  -1.716
  141    HB2  ARG  19           HB2      ARG  19 -30.796  -2.855  -1.117
  142    HB3  ARG  19           HB1      ARG  19 -31.074  -3.615  -2.676
  143    HG2  ARG  19           HG2      ARG  19 -31.085  -1.523  -3.824
  144    HG3  ARG  19           HG1      ARG  19 -31.160  -0.615  -2.313
  145    HD2  ARG  19           HD2      ARG  19 -28.871  -0.778  -3.426
  146    HD3  ARG  19           HD1      ARG  19 -28.952  -1.195  -1.718
  147    HE   ARG  19           HE       ARG  19 -29.320  -3.515  -3.337
  148   HH11  ARG  19          HH21      ARG  19 -26.976  -1.226  -2.229
  149   HH12  ARG  19          HH22      ARG  19 -25.651  -2.340  -2.290
  150   HH21  ARG  19          HH11      ARG  19 -27.591  -4.990  -3.409
  151   HH22  ARG  19          HH12      ARG  19 -26.000  -4.473  -2.962
  152    H    ARG  20           HN       ARG  20 -32.844  -1.839  -4.310
  153    HA   ARG  20           HA       ARG  20 -33.968  -4.144  -5.487
  154    HB2  ARG  20           HB2      ARG  20 -36.152  -3.297  -6.086
  155    HB3  ARG  20           HB1      ARG  20 -35.993  -3.247  -4.329
  156    HG2  ARG  20           HG2      ARG  20 -36.616  -1.042  -4.491
  157    HG3  ARG  20           HG1      ARG  20 -34.985  -0.753  -5.092
  158    HD2  ARG  20           HD2      ARG  20 -35.939  -1.345  -7.416
  159    HD3  ARG  20           HD1      ARG  20 -37.519  -1.139  -6.673
  160    HE   ARG  20           HE       ARG  20 -35.718   1.081  -6.212
  161   HH11  ARG  20          HH21      ARG  20 -38.066  -0.384  -8.276
  162   HH12  ARG  20          HH22      ARG  20 -38.540   1.103  -9.029
  163   HH21  ARG  20          HH11      ARG  20 -36.329   3.040  -7.186
  164   HH22  ARG  20          HH12      ARG  20 -37.555   3.046  -8.411
  165    H    TYR  21           HN       TYR  21 -34.080  -3.882  -7.817
  166    HA   TYR  21           HA       TYR  21 -32.905  -1.354  -8.838
  167    HB2  TYR  21           HB2      TYR  21 -31.212  -3.202  -8.782
  168    HB3  TYR  21           HB1      TYR  21 -32.266  -4.137  -9.847
  169    HD1  TYR  21           HD1      TYR  21 -30.824  -0.673  -9.620
  170    HD2  TYR  21           HD2      TYR  21 -31.866  -3.986 -12.155
  171    HE1  TYR  21           HE1      TYR  21 -29.904   0.534 -11.575
  172    HE2  TYR  21           HE2      TYR  21 -30.939  -2.776 -14.109
  173    HH   TYR  21           HH       TYR  21 -29.256   0.315 -13.732
  174    H    ASP  22           HN       ASP  22 -34.032  -0.485 -10.480
  175    HA   ASP  22           HA       ASP  22 -36.124  -2.154 -11.784
  176    HB2  ASP  22           HB2      ASP  22 -37.425  -0.069 -12.028
  177    HB3  ASP  22           HB1      ASP  22 -37.131  -0.486 -10.343
  178    H    CYS  23           HN       CYS  23 -35.817  -2.491 -13.881
  179    HA   CYS  23           HA       CYS  23 -34.845  -0.344 -15.596
  180    HB2  CYS  23           HB2      CYS  23 -32.804  -1.577 -14.817
  181    HB3  CYS  23           HB1      CYS  23 -33.460  -3.035 -15.567
  182    HG   CYS  23           HG       CYS  23 -32.597  -0.480 -17.149
  183    H    ASP  24           HN       ASP  24 -35.616  -0.495 -17.663
  184    HA   ASP  24           HA       ASP  24 -37.238  -2.870 -18.337
  185    HB2  ASP  24           HB2      ASP  24 -38.877  -1.434 -19.366
  186    HB3  ASP  24           HB1      ASP  24 -38.612  -0.872 -17.717
  187    H    CYS  25           HN       CYS  25 -34.430  -2.087 -19.023
  188    HA   CYS  25           HA       CYS  25 -34.673  -2.489 -21.917
  189    HB2  CYS  25           HB2      CYS  25 -33.066  -0.221 -20.710
  190    HB3  CYS  25           HB1      CYS  25 -33.058  -0.691 -22.410
  191    HG   CYS  25           HG       CYS  25 -35.885  -0.118 -21.479
  192    H    ASP  26           HN       ASP  26 -32.947  -3.596 -22.809
  193    HA   ASP  26           HA       ASP  26 -31.539  -5.442 -21.435
  194    HB2  ASP  26           HB2      ASP  26 -29.886  -5.443 -23.259
  195    HB3  ASP  26           HB1      ASP  26 -31.529  -5.304 -23.879
  196    H    CYS  27           HN       CYS  27 -29.325  -5.634 -20.712
  197    HA   CYS  27           HA       CYS  27 -27.808  -3.226 -20.159
  198    HB2  CYS  27           HB2      CYS  27 -29.329  -3.093 -18.298
  199    HB3  CYS  27           HB1      CYS  27 -29.112  -4.804 -17.929
  200    HG   CYS  27           HG       CYS  27 -26.924  -2.615 -17.482
  201    H    ALA  28           HN       ALA  28 -25.731  -3.754 -19.069
  202    HA   ALA  28           HA       ALA  28 -24.747  -6.356 -20.015
  203    HB1  ALA  28           HB1      ALA  28 -22.556  -5.433 -19.799
  204    HB2  ALA  28           HB2      ALA  28 -23.146  -4.088 -18.820
  205    HB3  ALA  28           HB3      ALA  28 -23.558  -4.183 -20.533
  206    H    ASP  29           HN       ASP  29 -24.440  -4.341 -17.102
  207    HA   ASP  29           HA       ASP  29 -24.749  -6.690 -15.396
  208    HB2  ASP  29           HB2      ASP  29 -22.327  -6.641 -15.913
  209    HB3  ASP  29           HB1      ASP  29 -22.245  -5.000 -15.277
  210    H    PHE  30           HN       PHE  30 -26.271  -6.047 -14.068
  211    HA   PHE  30           HA       PHE  30 -26.259  -3.278 -13.042
  212    HB2  PHE  30           HB2      PHE  30 -28.559  -3.409 -12.882
  213    HB3  PHE  30           HB1      PHE  30 -28.323  -4.610 -14.148
  214    HD1  PHE  30           HD2      PHE  30 -28.209  -7.048 -13.516
  215    HD2  PHE  30           HD1      PHE  30 -29.379  -4.015 -10.739
  216    HE1  PHE  30           HE2      PHE  30 -29.224  -8.786 -12.060
  217    HE2  PHE  30           HE1      PHE  30 -30.397  -5.730  -9.278
  218    HZ   PHE  30           HZ       PHE  30 -30.334  -8.121  -9.939
  219    H    HIS  31           HN       HIS  31 -24.852  -6.015 -12.215
  220    HA   HIS  31           HA       HIS  31 -25.678  -6.640  -9.614
  221    HB2  HIS  31           HB2      HIS  31 -24.127  -8.063 -10.860
  222    HB3  HIS  31           HB1      HIS  31 -22.895  -6.798 -10.793
  223    HD2  HIS  31           HD2      HIS  31 -21.454  -6.714  -8.391
  224    HE1  HIS  31           HE1      HIS  31 -23.779  -9.530  -6.266
  225    HE2  HIS  31           HE2      HIS  31 -21.677  -8.106  -6.191
  226    H    THR  32           HN       THR  32 -23.816  -4.024 -10.867
  227    HA   THR  32           HA       THR  32 -22.532  -3.199  -8.490
  228    HB   THR  32           HB       THR  32 -22.358  -0.976  -9.579
  229    HG1  THR  32           HG1      THR  32 -23.731  -0.472 -11.070
  230   HG21  THR  32          HG21      THR  32 -21.015  -1.717 -11.439
  231   HG22  THR  32          HG22      THR  32 -21.913  -3.231 -11.547
  232   HG23  THR  32          HG23      THR  32 -20.865  -2.924 -10.164
  233    H    TYR  33           HN       TYR  33 -25.788  -2.775  -9.660
  234    HA   TYR  33           HA       TYR  33 -26.470  -0.797  -7.629
  235    HB2  TYR  33           HB2      TYR  33 -28.156  -2.236  -9.678
  236    HB3  TYR  33           HB1      TYR  33 -28.734  -0.963  -8.605
  237    HD1  TYR  33           HD2      TYR  33 -27.383   1.285  -8.626
  238    HD2  TYR  33           HD1      TYR  33 -27.230  -1.645 -11.754
  239    HE1  TYR  33           HE2      TYR  33 -26.533   3.006 -10.196
  240    HE2  TYR  33           HE1      TYR  33 -26.374   0.071 -13.327
  241    HH   TYR  33           HH       TYR  33 -25.301   2.178 -13.333
  242    H    LEU  34           HN       LEU  34 -26.383  -4.194  -7.886
  243    HA   LEU  34           HA       LEU  34 -27.791  -4.430  -5.329
  244    HB2  LEU  34           HB2      LEU  34 -29.360  -4.884  -7.304
  245    HB3  LEU  34           HB1      LEU  34 -28.401  -6.332  -7.585
  246    HG   LEU  34           HG       LEU  34 -28.847  -7.014  -5.226
  247   HD11  LEU  34          HD11      LEU  34 -29.435  -5.223  -3.902
  248   HD12  LEU  34          HD12      LEU  34 -31.064  -5.700  -4.369
  249   HD13  LEU  34          HD13      LEU  34 -30.254  -4.379  -5.212
  250   HD21  LEU  34          HD21      LEU  34 -31.132  -6.553  -7.129
  251   HD22  LEU  34          HD22      LEU  34 -31.354  -7.448  -5.632
  252   HD23  LEU  34          HD23      LEU  34 -30.233  -8.043  -6.858
  253    H    SER  35           HN       SER  35 -26.922  -5.929  -3.980
  254    HA   SER  35           HA       SER  35 -24.472  -7.281  -4.929
  255    HB2  SER  35           HB2      SER  35 -25.489  -6.549  -2.191
  256    HB3  SER  35           HB1      SER  35 -24.084  -7.579  -2.446
  257    HG   SER  35           HG       SER  35 -23.014  -5.905  -3.333
  258    H    ARG  36           HN       ARG  36 -27.711  -7.949  -4.293
  259    HA   ARG  36           HA       ARG  36 -27.221 -10.809  -4.457
  260    HB2  ARG  36           HB2      ARG  36 -27.178 -10.167  -1.974
  261    HB3  ARG  36           HB1      ARG  36 -28.889  -9.800  -2.162
  262    HG2  ARG  36           HG2      ARG  36 -29.227 -12.122  -3.060
  263    HG3  ARG  36           HG1      ARG  36 -27.547 -12.466  -2.644
  264    HD2  ARG  36           HD2      ARG  36 -29.670 -11.537  -0.693
  265    HD3  ARG  36           HD1      ARG  36 -29.102 -13.195  -0.856
  266    HE   ARG  36           HE       ARG  36 -27.680 -10.986   0.397
  267   HH11  ARG  36          HH21      ARG  36 -27.545 -14.141  -1.016
  268   HH12  ARG  36          HH22      ARG  36 -26.084 -14.591  -0.203
  269   HH21  ARG  36          HH11      ARG  36 -25.766 -11.571   1.468
  270   HH22  ARG  36          HH12      ARG  36 -25.076 -13.138   1.203
  271    H    CYS  37           HN       CYS  37 -28.944 -11.909  -5.346
  272    HA   CYS  37           HA       CYS  37 -31.245 -10.235  -6.189
  273    HB2  CYS  37           HB2      CYS  37 -31.461 -12.037  -7.958
  274    HB3  CYS  37           HB1      CYS  37 -30.036 -11.001  -8.068
  275    HG   CYS  37           HG       CYS  37 -29.195 -13.469  -8.247
  276    H    ASN  38           HN       ASN  38 -32.781 -10.524  -4.714
  277    HA   ASN  38           HA       ASN  38 -33.733 -13.276  -4.214
  278    HB2  ASN  38           HB2      ASN  38 -33.685 -10.941  -2.299
  279    HB3  ASN  38           HB1      ASN  38 -34.457 -12.485  -1.988
  280   HD21  ASN  38          HD21      ASN  38 -32.544 -11.888  -0.155
  281   HD22  ASN  38          HD22      ASN  38 -31.111 -12.756  -0.446
  282    H    SER  39           HN       SER  39 -36.015 -13.366  -3.905
  283    HA   SER  39           HA       SER  39 -38.027 -13.025  -4.945
  284    HB2  SER  39           HB2      SER  39 -39.159 -11.003  -3.927
  285    HB3  SER  39           HB1      SER  39 -38.487 -12.177  -2.823
  286    HG   SER  39           HG       SER  39 -36.652 -10.329  -3.570
  287    H    ILE  40           HN       ILE  40 -38.897 -12.447  -6.744
  288    HA   ILE  40           HA       ILE  40 -38.112  -9.915  -8.068
  289    HB   ILE  40           HB       ILE  40 -37.658 -12.701  -9.096
  290   HG12  ILE  40          HG12      ILE  40 -35.894 -10.281  -9.476
  291   HG13  ILE  40          HG11      ILE  40 -35.864 -11.159  -7.951
  292   HG21  ILE  40          HG21      ILE  40 -37.153 -11.486 -11.341
  293   HG22  ILE  40          HG22      ILE  40 -38.184 -10.207 -10.707
  294   HG23  ILE  40          HG23      ILE  40 -38.837 -11.829 -10.942
  295   HD11  ILE  40          HD11      ILE  40 -35.028 -12.063 -10.684
  296   HD12  ILE  40          HD12      ILE  40 -35.531 -13.268  -9.497
  297   HD13  ILE  40          HD13      ILE  40 -34.171 -12.206  -9.156
  298    H    LYS  41           HN       LYS  41 -39.587  -9.096  -9.467
  299    HA   LYS  41           HA       LYS  41 -41.881 -10.677 -10.338
  300    HB2  LYS  41           HB2      LYS  41 -43.444  -8.820  -9.412
  301    HB3  LYS  41           HB1      LYS  41 -42.878 -10.085  -8.325
  302    HG2  LYS  41           HG2      LYS  41 -41.320  -8.689  -7.300
  303    HG3  LYS  41           HG1      LYS  41 -41.323  -7.533  -8.608
  304    HD2  LYS  41           HD2      LYS  41 -42.563  -6.852  -6.466
  305    HD3  LYS  41           HD1      LYS  41 -43.429  -6.646  -7.984
  306    HE2  LYS  41           HE2      LYS  41 -44.848  -8.454  -7.570
  307    HE3  LYS  41           HE1      LYS  41 -43.728  -9.220  -6.449
  308    HZ1  LYS  41           HZ1      LYS  41 -44.516  -8.041  -4.745
  309    HZ2  LYS  41           HZ2      LYS  41 -45.853  -7.722  -5.743
  310    HZ3  LYS  41           HZ3      LYS  41 -44.584  -6.599  -5.636
  311    H    VAL  42           HN       VAL  42 -41.503 -10.233 -12.460
  312    HA   VAL  42           HA       VAL  42 -40.711  -7.702 -13.391
  313    HB   VAL  42           HB       VAL  42 -41.355  -8.724 -15.628
  314   HG11  VAL  42          HG11      VAL  42 -39.483 -10.069 -13.690
  315   HG12  VAL  42          HG12      VAL  42 -39.101  -9.009 -15.039
  316   HG13  VAL  42          HG13      VAL  42 -39.635 -10.648 -15.347
  317   HG21  VAL  42          HG21      VAL  42 -41.881 -11.087 -15.603
  318   HG22  VAL  42          HG22      VAL  42 -43.133 -10.148 -14.774
  319   HG23  VAL  42          HG23      VAL  42 -41.962 -11.084 -13.848
  320    H    GLU  43           HN       GLU  43 -41.839  -6.051 -14.225
  321    HA   GLU  43           HA       GLU  43 -44.775  -6.134 -13.873
  322    HB2  GLU  43           HB2      GLU  43 -42.832  -3.812 -13.844
  323    HB3  GLU  43           HB1      GLU  43 -44.582  -3.669 -13.684
  324    HG2  GLU  43           HG2      GLU  43 -44.490  -5.150 -11.688
  325    HG3  GLU  43           HG1      GLU  43 -42.737  -5.192 -11.828
  326    H    GLY  44           HN       GLY  44 -44.144  -7.304 -16.161
  327    HA2  GLY  44           HA2      GLY  44 -45.210  -5.535 -18.140
  328    HA3  GLY  44           HA1      GLY  44 -43.494  -5.799 -18.390
  329    H    GLY  45           HN       GLY  45 -42.752  -7.816 -19.070
  330    HA2  GLY  45           HA2      GLY  45 -44.765  -9.910 -19.610
  331    HA3  GLY  45           HA1      GLY  45 -43.781  -9.291 -20.935
  332    H    THR  46           HN       THR  46 -42.559 -11.043 -21.401
  333    HA   THR  46           HA       THR  46 -41.325 -12.641 -19.339
  334    HB   THR  46           HB       THR  46 -41.120 -12.691 -22.351
  335    HG1  THR  46           HG1      THR  46 -42.534 -14.108 -20.381
  336   HG21  THR  46          HG21      THR  46 -39.060 -13.610 -21.597
  337   HG22  THR  46          HG22      THR  46 -40.109 -14.999 -21.870
  338   HG23  THR  46          HG23      THR  46 -39.833 -14.412 -20.231
  339    H    TRP  47           HN       TRP  47 -38.965 -13.105 -19.413
  340    HA   TRP  47           HA       TRP  47 -37.255 -10.942 -20.372
  341    HB2  TRP  47           HB2      TRP  47 -38.009 -11.350 -17.519
  342    HB3  TRP  47           HB1      TRP  47 -36.319 -10.985 -17.836
  343    HD1  TRP  47           HD1      TRP  47 -39.613  -9.416 -17.422
  344    HE1  TRP  47           HE1      TRP  47 -39.424  -6.876 -17.898
  345    HE3  TRP  47           HE3      TRP  47 -35.074  -9.257 -19.743
  346    HZ2  TRP  47           HZ2      TRP  47 -37.664  -5.067 -19.234
  347    HZ3  TRP  47           HZ3      TRP  47 -34.177  -7.116 -20.615
  348    HH2  TRP  47           HH2      TRP  47 -35.467  -5.025 -20.360
  349    H    ALA  48           HN       ALA  48 -35.048 -11.430 -20.283
  350    HA   ALA  48           HA       ALA  48 -34.410 -14.294 -19.863
  351    HB1  ALA  48           HB1      ALA  48 -33.372 -12.261 -21.845
  352    HB2  ALA  48           HB2      ALA  48 -34.056 -13.854 -22.161
  353    HB3  ALA  48           HB3      ALA  48 -32.455 -13.712 -21.446
  354    H    VAL  49           HN       VAL  49 -33.219 -14.597 -18.104
  355    HA   VAL  49           HA       VAL  49 -31.394 -12.425 -17.203
  356    HB   VAL  49           HB       VAL  49 -31.716 -13.541 -14.914
  357   HG11  VAL  49          HG11      VAL  49 -32.770 -11.362 -15.678
  358   HG12  VAL  49          HG12      VAL  49 -33.687 -12.233 -14.449
  359   HG13  VAL  49          HG13      VAL  49 -34.193 -12.298 -16.135
  360   HG21  VAL  49          HG21      VAL  49 -32.794 -15.588 -15.975
  361   HG22  VAL  49          HG22      VAL  49 -34.225 -14.597 -16.227
  362   HG23  VAL  49          HG23      VAL  49 -33.646 -14.911 -14.591
  363    H    TYR  50           HN       TYR  50 -29.321 -12.893 -16.977
  364    HA   TYR  50           HA       TYR  50 -28.458 -15.696 -17.384
  365    HB2  TYR  50           HB2      TYR  50 -27.025 -13.056 -17.782
  366    HB3  TYR  50           HB1      TYR  50 -26.247 -14.634 -17.926
  367    HD1  TYR  50           HD1      TYR  50 -28.838 -12.402 -19.355
  368    HD2  TYR  50           HD2      TYR  50 -26.640 -16.063 -19.816
  369    HE1  TYR  50           HE1      TYR  50 -29.671 -12.611 -21.682
  370    HE2  TYR  50           HE2      TYR  50 -27.472 -16.273 -22.142
  371    HH   TYR  50           HH       TYR  50 -29.573 -15.398 -23.422
  372    H    GLU  51           HN       GLU  51 -28.038 -16.725 -15.539
  373    HA   GLU  51           HA       GLU  51 -27.878 -15.997 -13.016
  374    HB2  GLU  51           HB2      GLU  51 -27.374 -18.279 -13.796
  375    HB3  GLU  51           HB1      GLU  51 -25.764 -17.742 -14.284
  376    HG2  GLU  51           HG2      GLU  51 -25.238 -17.149 -11.955
  377    HG3  GLU  51           HG1      GLU  51 -26.863 -17.609 -11.457
  378    H    ARG  52           HN       ARG  52 -25.351 -15.242 -15.352
  379    HA   ARG  52           HA       ARG  52 -24.115 -13.523 -13.305
  380    HB2  ARG  52           HB2      ARG  52 -22.465 -14.682 -15.502
  381    HB3  ARG  52           HB1      ARG  52 -21.963 -14.139 -13.919
  382    HG2  ARG  52           HG2      ARG  52 -23.018 -16.043 -12.861
  383    HG3  ARG  52           HG1      ARG  52 -23.668 -16.586 -14.397
  384    HD2  ARG  52           HD2      ARG  52 -21.118 -16.530 -15.132
  385    HD3  ARG  52           HD1      ARG  52 -20.852 -16.694 -13.398
  386    HE   ARG  52           HE       ARG  52 -22.747 -18.614 -14.107
  387   HH11  ARG  52          HH21      ARG  52 -19.481 -17.756 -14.854
  388   HH12  ARG  52          HH22      ARG  52 -18.977 -19.384 -15.173
  389   HH21  ARG  52          HH11      ARG  52 -22.099 -20.754 -14.523
  390   HH22  ARG  52          HH12      ARG  52 -20.461 -21.082 -14.985
  391    HA   PRO  53           HA       PRO  53 -24.414 -10.285 -16.314
  392    HB2  PRO  53           HB2      PRO  53 -21.837  -9.097 -15.623
  393    HB3  PRO  53           HB1      PRO  53 -23.456  -8.558 -15.163
  394    HG2  PRO  53           HG2      PRO  53 -21.613  -9.612 -13.413
  395    HG3  PRO  53           HG1      PRO  53 -23.362  -9.587 -13.138
  396    HD2  PRO  53           HD2      PRO  53 -21.626 -11.868 -14.021
  397    HD3  PRO  53           HD1      PRO  53 -23.072 -11.856 -13.006
  398    H    ASN  54           HN       ASN  54 -23.254  -9.150 -18.080
  399    HA   ASN  54           HA       ASN  54 -21.909  -9.074 -19.944
  400    HB2  ASN  54           HB2      ASN  54 -20.457 -11.575 -19.104
  401    HB3  ASN  54           HB1      ASN  54 -19.864 -10.195 -20.021
  402   HD21  ASN  54          HD21      ASN  54 -20.770  -8.072 -18.324
  403   HD22  ASN  54          HD22      ASN  54 -19.930  -8.173 -16.853
  404    H    PHE  55           HN       PHE  55 -23.838 -11.645 -18.937
  405    HA   PHE  55           HA       PHE  55 -25.310 -12.902 -20.188
  406    HB2  PHE  55           HB2      PHE  55 -23.751 -12.365 -22.715
  407    HB3  PHE  55           HB1      PHE  55 -25.448 -12.781 -22.523
  408    HD1  PHE  55           HD2      PHE  55 -26.659 -11.064 -20.722
  409    HD2  PHE  55           HD1      PHE  55 -23.417 -10.134 -23.387
  410    HE1  PHE  55           HE2      PHE  55 -27.278  -8.666 -20.645
  411    HE2  PHE  55           HE1      PHE  55 -24.040  -7.736 -23.303
  412    HZ   PHE  55           HZ       PHE  55 -25.972  -7.005 -21.938
  413    H    ALA  56           HN       ALA  56 -23.398 -14.105 -18.720
  414    HA   ALA  56           HA       ALA  56 -22.807 -16.464 -20.356
  415    HB1  ALA  56           HB1      ALA  56 -20.477 -16.551 -19.820
  416    HB2  ALA  56           HB2      ALA  56 -20.620 -15.185 -18.713
  417    HB3  ALA  56           HB3      ALA  56 -20.781 -14.932 -20.450
  418    H    GLY  57           HN       GLY  57 -23.744 -18.040 -19.198
  419    HA2  GLY  57           HA2      GLY  57 -23.157 -19.383 -17.068
  420    HA3  GLY  57           HA1      GLY  57 -23.622 -17.916 -16.231
  421    H    TYR  58           HN       TYR  58 -24.689 -20.855 -17.303
  422    HA   TYR  58           HA       TYR  58 -26.767 -21.813 -17.708
  423    HB2  TYR  58           HB2      TYR  58 -27.242 -19.949 -15.384
  424    HB3  TYR  58           HB1      TYR  58 -28.424 -21.139 -15.916
  425    HD1  TYR  58           HD1      TYR  58 -24.808 -20.847 -14.980
  426    HD2  TYR  58           HD2      TYR  58 -28.321 -23.318 -15.037
  427    HE1  TYR  58           HE1      TYR  58 -23.603 -22.589 -13.691
  428    HE2  TYR  58           HE2      TYR  58 -27.115 -25.060 -13.749
  429    HH   TYR  58           HH       TYR  58 -24.046 -25.389 -13.528
  430    H    MET  59           HN       MET  59 -29.280 -21.148 -17.755
  431    HA   MET  59           HA       MET  59 -29.741 -18.527 -18.915
  432    HB2  MET  59           HB2      MET  59 -29.300 -20.903 -20.595
  433    HB3  MET  59           HB1      MET  59 -30.854 -20.140 -20.921
  434    HG2  MET  59           HG2      MET  59 -29.842 -18.065 -21.484
  435    HG3  MET  59           HG1      MET  59 -28.300 -18.527 -20.773
  436    HE1  MET  59           HE1      MET  59 -26.291 -19.368 -22.397
  437    HE2  MET  59           HE2      MET  59 -26.690 -20.953 -23.053
  438    HE3  MET  59           HE3      MET  59 -27.094 -20.575 -21.382
  439    H    TYR  60           HN       TYR  60 -31.497 -17.920 -17.867
  440    HA   TYR  60           HA       TYR  60 -33.770 -19.815 -17.673
  441    HB2  TYR  60           HB2      TYR  60 -32.498 -19.456 -15.465
  442    HB3  TYR  60           HB1      TYR  60 -33.121 -17.814 -15.503
  443    HD1  TYR  60           HD2      TYR  60 -35.557 -17.378 -15.354
  444    HD2  TYR  60           HD1      TYR  60 -33.945 -21.347 -15.074
  445    HE1  TYR  60           HE2      TYR  60 -37.716 -18.202 -14.444
  446    HE2  TYR  60           HE1      TYR  60 -36.103 -22.162 -14.164
  447    HH   TYR  60           HH       TYR  60 -38.068 -21.370 -13.102
  448    H    ILE  61           HN       ILE  61 -35.635 -19.001 -18.377
  449    HA   ILE  61           HA       ILE  61 -35.726 -16.133 -19.120
  450    HB   ILE  61           HB       ILE  61 -37.334 -18.516 -20.085
  451   HG12  ILE  61          HG12      ILE  61 -36.202 -17.910 -22.267
  452   HG13  ILE  61          HG11      ILE  61 -35.200 -16.782 -21.360
  453   HG21  ILE  61          HG21      ILE  61 -38.794 -16.642 -20.130
  454   HG22  ILE  61          HG22      ILE  61 -38.175 -16.810 -21.769
  455   HG23  ILE  61          HG23      ILE  61 -37.520 -15.567 -20.704
  456   HD11  ILE  61          HD11      ILE  61 -35.303 -19.573 -20.307
  457   HD12  ILE  61          HD12      ILE  61 -33.952 -18.449 -20.399
  458   HD13  ILE  61          HD13      ILE  61 -34.453 -19.334 -21.835
  459    H    LEU  62           HN       LEU  62 -36.400 -15.242 -17.152
  460    HA   LEU  62           HA       LEU  62 -38.481 -16.347 -15.571
  461    HB2  LEU  62           HB2      LEU  62 -36.684 -14.066 -15.492
  462    HB3  LEU  62           HB1      LEU  62 -38.297 -13.569 -15.003
  463    HG   LEU  62           HG       LEU  62 -36.941 -16.029 -13.842
  464   HD11  LEU  62          HD11      LEU  62 -36.820 -13.145 -12.947
  465   HD12  LEU  62          HD12      LEU  62 -35.473 -14.240 -13.258
  466   HD13  LEU  62          HD13      LEU  62 -36.512 -14.491 -11.853
  467   HD21  LEU  62          HD21      LEU  62 -39.330 -14.316 -13.105
  468   HD22  LEU  62          HD22      LEU  62 -38.569 -15.403 -11.946
  469   HD23  LEU  62          HD23      LEU  62 -39.283 -16.047 -13.419
  470    HA   PRO  63           HA       PRO  63 -41.615 -14.674 -18.412
  471    HB2  PRO  63           HB2      PRO  63 -43.680 -16.279 -17.771
  472    HB3  PRO  63           HB1      PRO  63 -42.296 -16.856 -18.717
  473    HG2  PRO  63           HG2      PRO  63 -42.921 -17.282 -15.833
  474    HG3  PRO  63           HG1      PRO  63 -42.209 -18.401 -17.008
  475    HD2  PRO  63           HD2      PRO  63 -40.759 -16.909 -15.134
  476    HD3  PRO  63           HD1      PRO  63 -40.089 -17.658 -16.580
  477    H    GLN  64           HN       GLN  64 -43.665 -13.518 -18.223
  478    HA   GLN  64           HA       GLN  64 -43.843 -11.694 -16.199
  479    HB2  GLN  64           HB2      GLN  64 -45.160 -11.940 -18.476
  480    HB3  GLN  64           HB1      GLN  64 -46.406 -12.602 -17.421
  481    HG2  GLN  64           HG2      GLN  64 -45.062  -9.892 -17.134
  482    HG3  GLN  64           HG1      GLN  64 -46.727 -10.184 -17.646
  483   HE21  GLN  64          HE21      GLN  64 -44.830  -9.486 -14.932
  484   HE22  GLN  64          HE22      GLN  64 -45.932  -9.958 -13.733
  485    H    GLY  65           HN       GLY  65 -44.140 -11.912 -14.056
  486    HA2  GLY  65           HA2      GLY  65 -46.324 -13.053 -12.816
  487    HA3  GLY  65           HA1      GLY  65 -45.127 -14.338 -12.916
  488    H    GLU  66           HN       GLU  66 -45.672 -13.866 -10.457
  489    HA   GLU  66           HA       GLU  66 -43.770 -11.878  -9.387
  490    HB2  GLU  66           HB2      GLU  66 -46.136 -13.270  -8.128
  491    HB3  GLU  66           HB1      GLU  66 -45.003 -12.240  -7.246
  492    HG2  GLU  66           HG2      GLU  66 -45.517 -10.362  -8.733
  493    HG3  GLU  66           HG1      GLU  66 -46.605 -11.381  -9.668
  494    H    TYR  67           HN       TYR  67 -42.424 -12.497  -7.628
  495    HA   TYR  67           HA       TYR  67 -42.036 -15.347  -7.140
  496    HB2  TYR  67           HB2      TYR  67 -39.726 -13.648  -8.124
  497    HB3  TYR  67           HB1      TYR  67 -39.696 -15.330  -7.717
  498    HD1  TYR  67           HD1      TYR  67 -41.428 -12.966 -10.092
  499    HD2  TYR  67           HD2      TYR  67 -40.118 -16.982  -9.350
  500    HE1  TYR  67           HE1      TYR  67 -42.107 -13.590 -12.355
  501    HE2  TYR  67           HE2      TYR  67 -40.821 -17.611 -11.636
  502    HH   TYR  67           HH       TYR  67 -42.481 -15.291 -13.745
  503    HA   PRO  68           HA       PRO  68 -41.780 -12.691  -3.338
  504    HB2  PRO  68           HB2      PRO  68 -42.555 -15.310  -2.148
  505    HB3  PRO  68           HB1      PRO  68 -43.237 -13.695  -1.872
  506    HG2  PRO  68           HG2      PRO  68 -44.541 -15.521  -3.318
  507    HG3  PRO  68           HG1      PRO  68 -44.583 -13.800  -3.751
  508    HD2  PRO  68           HD2      PRO  68 -43.008 -16.025  -5.010
  509    HD3  PRO  68           HD1      PRO  68 -43.807 -14.636  -5.784
  510    H    GLU  69           HN       GLU  69 -40.207 -15.579  -4.349
  511    HA   GLU  69           HA       GLU  69 -37.929 -14.949  -2.632
  512    HB2  GLU  69           HB2      GLU  69 -39.375 -17.618  -2.586
  513    HB3  GLU  69           HB1      GLU  69 -37.756 -17.358  -1.937
  514    HG2  GLU  69           HG2      GLU  69 -38.665 -15.606  -0.436
  515    HG3  GLU  69           HG1      GLU  69 -40.279 -15.939  -1.041
  516    H    TYR  70           HN       TYR  70 -36.030 -16.192  -3.300
  517    HA   TYR  70           HA       TYR  70 -35.722 -16.192  -6.100
  518    HB2  TYR  70           HB2      TYR  70 -33.504 -17.256  -5.607
  519    HB3  TYR  70           HB1      TYR  70 -33.807 -15.766  -4.719
  520    HD1  TYR  70           HD2      TYR  70 -34.749 -15.962  -2.312
  521    HD2  TYR  70           HD1      TYR  70 -32.996 -19.253  -4.463
  522    HE1  TYR  70           HE2      TYR  70 -34.456 -17.190  -0.189
  523    HE2  TYR  70           HE1      TYR  70 -32.679 -20.473  -2.328
  524    HH   TYR  70           HH       TYR  70 -32.779 -20.316  -0.080
  525    H    GLN  71           HN       GLN  71 -35.859 -18.907  -3.790
  526    HA   GLN  71           HA       GLN  71 -35.565 -21.093  -5.409
  527    HB2  GLN  71           HB2      GLN  71 -37.711 -20.887  -3.293
  528    HB3  GLN  71           HB1      GLN  71 -36.915 -22.356  -3.867
  529    HG2  GLN  71           HG2      GLN  71 -34.732 -21.392  -3.085
  530    HG3  GLN  71           HG1      GLN  71 -35.646 -20.059  -2.371
  531   HE21  GLN  71          HE21      GLN  71 -37.909 -21.559  -1.426
  532   HE22  GLN  71          HE22      GLN  71 -37.370 -22.578  -0.171
  533    H    ARG  72           HN       ARG  72 -37.924 -18.756  -5.815
  534    HA   ARG  72           HA       ARG  72 -40.022 -20.388  -6.895
  535    HB2  ARG  72           HB2      ARG  72 -39.441 -17.452  -7.197
  536    HB3  ARG  72           HB1      ARG  72 -40.971 -18.229  -7.574
  537    HG2  ARG  72           HG2      ARG  72 -39.751 -18.398  -4.812
  538    HG3  ARG  72           HG1      ARG  72 -40.746 -17.026  -5.287
  539    HD2  ARG  72           HD2      ARG  72 -41.595 -19.934  -5.303
  540    HD3  ARG  72           HD1      ARG  72 -42.131 -18.695  -4.179
  541    HE   ARG  72           HE       ARG  72 -42.697 -17.762  -6.750
  542   HH11  ARG  72          HH21      ARG  72 -43.536 -20.380  -4.655
  543   HH12  ARG  72          HH22      ARG  72 -45.132 -20.567  -5.301
  544   HH21  ARG  72          HH11      ARG  72 -44.779 -17.992  -7.603
  545   HH22  ARG  72          HH12      ARG  72 -45.837 -19.210  -6.974
  546    H    TRP  73           HN       TRP  73 -36.963 -19.597  -8.058
  547    HA   TRP  73           HA       TRP  73 -37.851 -19.826 -10.900
  548    HB2  TRP  73           HB2      TRP  73 -35.753 -18.652 -11.498
  549    HB3  TRP  73           HB1      TRP  73 -36.821 -17.662 -10.510
  550    HD1  TRP  73           HD1      TRP  73 -35.088 -20.198  -8.411
  551    HE1  TRP  73           HE1      TRP  73 -33.219 -19.147  -7.087
  552    HE3  TRP  73           HE3      TRP  73 -34.801 -15.735 -10.821
  553    HZ2  TRP  73           HZ2      TRP  73 -31.748 -16.698  -7.038
  554    HZ3  TRP  73           HZ3      TRP  73 -33.134 -14.057 -10.112
  555    HH2  TRP  73           HH2      TRP  73 -31.604 -14.527  -8.226
  556    H    MET  74           HN       MET  74 -37.180 -21.891  -8.819
  557    HA   MET  74           HA       MET  74 -36.390 -24.045  -8.996
  558    HB2  MET  74           HB2      MET  74 -34.611 -23.134 -11.282
  559    HB3  MET  74           HB1      MET  74 -34.849 -24.778 -10.730
  560    HG2  MET  74           HG2      MET  74 -37.120 -23.036 -11.705
  561    HG3  MET  74           HG1      MET  74 -36.219 -24.132 -12.750
  562    HE1  MET  74           HE1      MET  74 -39.689 -25.070 -10.110
  563    HE2  MET  74           HE2      MET  74 -39.404 -23.828 -11.327
  564    HE3  MET  74           HE3      MET  74 -38.607 -23.715  -9.759
  565    H    GLY  75           HN       GLY  75 -35.320 -21.727  -7.468
  566    HA2  GLY  75           HA2      GLY  75 -33.405 -21.093  -6.267
  567    HA3  GLY  75           HA1      GLY  75 -33.558 -22.776  -5.776
  568    H    LEU  76           HN       LEU  76 -32.461 -21.223  -8.809
  569    HA   LEU  76           HA       LEU  76 -30.324 -23.110  -9.119
  570    HB2  LEU  76           HB2      LEU  76 -30.765 -20.507 -10.584
  571    HB3  LEU  76           HB1      LEU  76 -29.841 -21.904 -11.152
  572    HG   LEU  76           HG       LEU  76 -32.805 -21.947 -10.545
  573   HD11  LEU  76          HD11      LEU  76 -33.143 -21.892 -12.954
  574   HD12  LEU  76          HD12      LEU  76 -31.401 -21.844 -13.227
  575   HD13  LEU  76          HD13      LEU  76 -32.214 -20.472 -12.472
  576   HD21  LEU  76          HD21      LEU  76 -32.587 -24.060 -12.019
  577   HD22  LEU  76          HD22      LEU  76 -31.943 -24.174 -10.386
  578   HD23  LEU  76          HD23      LEU  76 -30.852 -23.926 -11.745
  579    H    ASN  77           HN       ASN  77 -30.496 -20.957  -6.870
  580    HA   ASN  77           HA       ASN  77 -28.582 -20.404  -5.544
  581    HB2  ASN  77           HB2      ASN  77 -26.956 -21.085  -7.347
  582    HB3  ASN  77           HB1      ASN  77 -27.240 -19.515  -8.114
  583   HD21  ASN  77          HD21      ASN  77 -25.111 -18.711  -7.753
  584   HD22  ASN  77          HD22      ASN  77 -24.517 -18.367  -6.194
  585    H    ASP  78           HN       ASP  78 -27.780 -18.172  -5.014
  586    HA   ASP  78           HA       ASP  78 -29.864 -16.223  -5.735
  587    HB2  ASP  78           HB2      ASP  78 -29.059 -14.966  -3.798
  588    HB3  ASP  78           HB1      ASP  78 -29.451 -16.622  -3.346
  589    H    ARG  79           HN       ARG  79 -28.553 -16.277  -7.898
  590    HA   ARG  79           HA       ARG  79 -26.782 -13.926  -7.844
  591    HB2  ARG  79           HB2      ARG  79 -25.443 -16.109  -7.873
  592    HB3  ARG  79           HB1      ARG  79 -26.095 -16.361  -9.488
  593    HG2  ARG  79           HG2      ARG  79 -25.166 -14.204 -10.211
  594    HG3  ARG  79           HG1      ARG  79 -24.532 -13.924  -8.593
  595    HD2  ARG  79           HD2      ARG  79 -23.783 -16.280 -10.342
  596    HD3  ARG  79           HD1      ARG  79 -22.812 -14.824 -10.158
  597    HE   ARG  79           HE       ARG  79 -23.296 -15.782  -7.589
  598   HH11  ARG  79          HH21      ARG  79 -21.794 -16.827 -10.525
  599   HH12  ARG  79          HH22      ARG  79 -20.629 -17.837  -9.732
  600   HH21  ARG  79          HH11      ARG  79 -21.779 -17.105  -6.542
  601   HH22  ARG  79          HH12      ARG  79 -20.622 -17.995  -7.476
  602    H    LEU  80           HN       LEU  80 -27.708 -12.480  -9.168
  603    HA   LEU  80           HA       LEU  80 -28.676 -13.385 -11.791
  604    HB2  LEU  80           HB2      LEU  80 -30.531 -13.118  -9.859
  605    HB3  LEU  80           HB1      LEU  80 -30.396 -11.419 -10.311
  606    HG   LEU  80           HG       LEU  80 -32.172 -12.446 -11.597
  607   HD11  LEU  80          HD11      LEU  80 -31.561 -11.602 -13.682
  608   HD12  LEU  80          HD12      LEU  80 -29.914 -12.213 -13.569
  609   HD13  LEU  80          HD13      LEU  80 -30.401 -10.810 -12.618
  610   HD21  LEU  80          HD21      LEU  80 -30.746 -14.782 -11.489
  611   HD22  LEU  80          HD22      LEU  80 -30.376 -14.267 -13.133
  612   HD23  LEU  80          HD23      LEU  80 -32.049 -14.487 -12.637
  613    H    SER  81           HN       SER  81 -28.020 -12.099 -13.335
  614    HA   SER  81           HA       SER  81 -26.915  -9.439 -12.629
  615    HB2  SER  81           HB2      SER  81 -25.357  -9.715 -14.365
  616    HB3  SER  81           HB1      SER  81 -25.372 -11.247 -13.509
  617    HG   SER  81           HG       SER  81 -26.859 -12.002 -15.104
  618    H    SER  82           HN       SER  82 -26.655  -8.497 -15.263
  619    HA   SER  82           HA       SER  82 -28.977  -7.124 -15.697
  620    HB2  SER  82           HB2      SER  82 -28.207  -6.974 -18.114
  621    HB3  SER  82           HB1      SER  82 -27.044  -6.456 -16.899
  622    HG   SER  82           HG       SER  82 -27.170  -8.961 -18.234
  623    H    CYS  83           HN       CYS  83 -30.178  -7.372 -17.995
  624    HA   CYS  83           HA       CYS  83 -30.956 -10.128 -18.516
  625    HB2  CYS  83           HB2      CYS  83 -33.208  -9.929 -17.835
  626    HB3  CYS  83           HB1      CYS  83 -32.286  -9.223 -16.505
  627    HG   CYS  83           HG       CYS  83 -32.918  -6.845 -17.366
  628    H    ARG  84           HN       ARG  84 -32.414 -10.266 -20.428
  629    HA   ARG  84           HA       ARG  84 -32.417  -7.807 -22.089
  630    HB2  ARG  84           HB2      ARG  84 -31.974 -10.668 -22.988
  631    HB3  ARG  84           HB1      ARG  84 -32.049  -9.253 -24.040
  632    HG2  ARG  84           HG2      ARG  84 -30.106  -8.275 -22.898
  633    HG3  ARG  84           HG1      ARG  84 -30.033  -9.659 -21.809
  634    HD2  ARG  84           HD2      ARG  84 -28.410 -10.044 -23.539
  635    HD3  ARG  84           HD1      ARG  84 -29.764 -11.127 -23.851
  636    HE   ARG  84           HE       ARG  84 -30.141  -8.684 -25.246
  637   HH11  ARG  84          HH21      ARG  84 -28.219 -11.562 -25.195
  638   HH12  ARG  84          HH22      ARG  84 -27.902 -11.549 -26.897
  639   HH21  ARG  84          HH11      ARG  84 -29.728  -8.658 -27.480
  640   HH22  ARG  84          HH12      ARG  84 -28.759  -9.902 -28.194
  641    H    ALA  85           HN       ALA  85 -34.370  -7.260 -22.872
  642    HA   ALA  85           HA       ALA  85 -36.722  -8.573 -22.023
  643    HB1  ALA  85           HB1      ALA  85 -36.329  -6.586 -24.275
  644    HB2  ALA  85           HB2      ALA  85 -36.705  -6.193 -22.597
  645    HB3  ALA  85           HB3      ALA  85 -37.887  -7.048 -23.590
  646    H    VAL  86           HN       VAL  86 -37.776 -10.280 -22.805
  647    HA   VAL  86           HA       VAL  86 -37.204 -11.133 -25.604
  648    HB   VAL  86           HB       VAL  86 -37.442 -12.824 -23.101
  649   HG11  VAL  86          HG11      VAL  86 -37.451 -13.566 -26.030
  650   HG12  VAL  86          HG12      VAL  86 -38.654 -14.001 -24.815
  651   HG13  VAL  86          HG13      VAL  86 -37.045 -14.723 -24.767
  652   HG21  VAL  86          HG21      VAL  86 -35.189 -13.662 -24.135
  653   HG22  VAL  86          HG22      VAL  86 -35.197 -12.112 -23.298
  654   HG23  VAL  86          HG23      VAL  86 -35.228 -12.162 -25.058
  655    H    HIS  87           HN       HIS  87 -38.912 -11.539 -26.848
  656    HA   HIS  87           HA       HIS  87 -41.602 -11.351 -25.634
  657    HB2  HIS  87           HB2      HIS  87 -40.764 -11.150 -28.537
  658    HB3  HIS  87           HB1      HIS  87 -42.378 -10.848 -27.890
  659    HD2  HIS  87           HD2      HIS  87 -39.109  -8.929 -28.481
  660    HE1  HIS  87           HE1      HIS  87 -41.421  -6.545 -25.875
  661    HE2  HIS  87           HE2      HIS  87 -39.353  -6.590 -27.349
  662    H    LEU  88           HN       LEU  88 -43.268 -12.805 -26.380
  663    HA   LEU  88           HA       LEU  88 -42.301 -15.525 -26.577
  664    HB2  LEU  88           HB2      LEU  88 -45.079 -15.656 -26.796
  665    HB3  LEU  88           HB1      LEU  88 -44.171 -15.739 -25.288
  666    HG   LEU  88           HG       LEU  88 -44.978 -13.084 -26.494
  667   HD11  LEU  88          HD11      LEU  88 -46.564 -14.928 -24.709
  668   HD12  LEU  88          HD12      LEU  88 -47.064 -14.197 -26.234
  669   HD13  LEU  88          HD13      LEU  88 -46.873 -13.196 -24.793
  670   HD21  LEU  88          HD21      LEU  88 -44.816 -13.458 -23.550
  671   HD22  LEU  88          HD22      LEU  88 -44.147 -12.181 -24.560
  672   HD23  LEU  88          HD23      LEU  88 -43.282 -13.701 -24.386
  673    HA   PRO  89           HA       PRO  89 -42.832 -15.977 -30.952
  674    HB2  PRO  89           HB2      PRO  89 -43.417 -18.606 -31.207
  675    HB3  PRO  89           HB1      PRO  89 -41.825 -18.052 -30.647
  676    HG2  PRO  89           HG2      PRO  89 -44.148 -19.067 -29.053
  677    HG3  PRO  89           HG1      PRO  89 -42.420 -19.437 -28.886
  678    HD2  PRO  89           HD2      PRO  89 -43.707 -17.599 -27.293
  679    HD3  PRO  89           HD1      PRO  89 -41.974 -17.507 -27.689
  680    H    SER  90           HN       SER  90 -44.358 -16.251 -32.647
  681    HA   SER  90           HA       SER  90 -47.020 -17.117 -32.260
  682    HB2  SER  90           HB2      SER  90 -48.238 -15.168 -31.949
  683    HB3  SER  90           HB1      SER  90 -46.802 -14.807 -30.992
  684    HG   SER  90           HG       SER  90 -46.416 -13.244 -32.324
  685    H    GLY  91           HN       GLY  91 -44.542 -15.631 -34.086
  686    HA2  GLY  91           HA2      GLY  91 -45.937 -14.992 -36.438
  687    HA3  GLY  91           HA1      GLY  91 -44.214 -15.348 -36.340
  688    H    GLY  92           HN       GLY  92 -44.603 -18.020 -35.256
  689    HA2  GLY  92           HA2      GLY  92 -45.835 -19.429 -37.574
  690    HA3  GLY  92           HA1      GLY  92 -44.233 -19.858 -36.983
  691    H    GLN  93           HN       GLN  93 -47.424 -19.234 -35.521
  692    HA   GLN  93           HA       GLN  93 -48.363 -20.248 -33.623
  693    HB2  GLN  93           HB2      GLN  93 -48.864 -22.736 -34.263
  694    HB3  GLN  93           HB1      GLN  93 -49.547 -21.443 -35.247
  695    HG2  GLN  93           HG2      GLN  93 -47.759 -21.682 -36.883
  696    HG3  GLN  93           HG1      GLN  93 -46.958 -22.888 -35.887
  697   HE21  GLN  93          HE21      GLN  93 -48.318 -24.922 -35.437
  698   HE22  GLN  93          HE22      GLN  93 -49.341 -25.457 -36.689
  699    H    TYR  94           HN       TYR  94 -47.111 -23.366 -34.176
  700    HA   TYR  94           HA       TYR  94 -44.794 -23.125 -32.476
  701    HB2  TYR  94           HB2      TYR  94 -46.819 -23.097 -30.936
  702    HB3  TYR  94           HB1      TYR  94 -47.069 -24.771 -31.416
  703    HD1  TYR  94           HD1      TYR  94 -44.431 -22.461 -30.124
  704    HD2  TYR  94           HD2      TYR  94 -45.900 -26.479 -30.297
  705    HE1  TYR  94           HE1      TYR  94 -42.690 -23.168 -28.512
  706    HE2  TYR  94           HE2      TYR  94 -44.170 -27.194 -28.680
  707    HH   TYR  94           HH       TYR  94 -42.280 -26.581 -27.634
  708    H    LYS  95           HN       LYS  95 -43.401 -24.383 -33.561
  709    HA   LYS  95           HA       LYS  95 -44.124 -27.166 -34.081
  710    HB2  LYS  95           HB2      LYS  95 -44.852 -25.876 -36.101
  711    HB3  LYS  95           HB1      LYS  95 -43.179 -25.376 -36.324
  712    HG2  LYS  95           HG2      LYS  95 -43.623 -27.292 -37.743
  713    HG3  LYS  95           HG1      LYS  95 -42.520 -27.778 -36.457
  714    HD2  LYS  95           HD2      LYS  95 -44.099 -29.090 -35.379
  715    HD3  LYS  95           HD1      LYS  95 -45.464 -28.124 -35.954
  716    HE2  LYS  95           HE2      LYS  95 -43.783 -29.867 -37.766
  717    HE3  LYS  95           HE1      LYS  95 -45.271 -30.423 -36.993
  718    HZ1  LYS  95           HZ1      LYS  95 -45.869 -27.983 -38.128
  719    HZ2  LYS  95           HZ2      LYS  95 -46.362 -29.515 -38.674
  720    HZ3  LYS  95           HZ3      LYS  95 -44.952 -28.799 -39.297
  721    H    ILE  96           HN       ILE  96 -42.451 -28.490 -33.812
  722    HA   ILE  96           HA       ILE  96 -39.701 -27.407 -33.919
  723    HB   ILE  96           HB       ILE  96 -40.027 -27.401 -31.625
  724   HG12  ILE  96          HG12      ILE  96 -39.179 -30.280 -31.950
  725   HG13  ILE  96          HG11      ILE  96 -38.128 -28.952 -32.431
  726   HG21  ILE  96          HG21      ILE  96 -41.588 -29.976 -31.959
  727   HG22  ILE  96          HG22      ILE  96 -42.269 -28.387 -31.606
  728   HG23  ILE  96          HG23      ILE  96 -41.254 -29.197 -30.415
  729   HD11  ILE  96          HD11      ILE  96 -39.273 -29.422 -29.666
  730   HD12  ILE  96          HD12      ILE  96 -38.298 -28.025 -30.125
  731   HD13  ILE  96          HD13      ILE  96 -37.593 -29.637 -30.151
  732    H    GLN  97           HN       GLN  97 -38.159 -28.726 -34.627
  733    HA   GLN  97           HA       GLN  97 -38.896 -31.492 -35.375
  734    HB2  GLN  97           HB2      GLN  97 -37.546 -29.321 -36.945
  735    HB3  GLN  97           HB1      GLN  97 -36.942 -30.964 -37.160
  736    HG2  GLN  97           HG2      GLN  97 -39.247 -31.721 -37.668
  737    HG3  GLN  97           HG1      GLN  97 -39.817 -30.062 -37.517
  738   HE21  GLN  97          HE21      GLN  97 -36.712 -29.933 -38.789
  739   HE22  GLN  97          HE22      GLN  97 -37.111 -29.885 -40.444
  740    H    ILE  98           HN       ILE  98 -37.626 -32.988 -34.499
  741    HA   ILE  98           HA       ILE  98 -35.095 -32.112 -33.189
  742    HB   ILE  98           HB       ILE  98 -36.827 -34.467 -32.400
  743   HG12  ILE  98          HG12      ILE  98 -36.948 -31.622 -31.359
  744   HG13  ILE  98          HG11      ILE  98 -38.215 -32.449 -32.264
  745   HG21  ILE  98          HG21      ILE  98 -34.905 -32.797 -30.778
  746   HG22  ILE  98          HG22      ILE  98 -34.427 -34.256 -31.648
  747   HG23  ILE  98          HG23      ILE  98 -35.614 -34.353 -30.345
  748   HD11  ILE  98          HD11      ILE  98 -37.335 -32.868 -29.435
  749   HD12  ILE  98          HD12      ILE  98 -37.969 -34.254 -30.323
  750   HD13  ILE  98          HD13      ILE  98 -38.962 -32.816 -30.103
  751    H    PHE  99           HN       PHE  99 -33.278 -33.144 -33.825
  752    HA   PHE  99           HA       PHE  99 -33.574 -35.571 -35.526
  753    HB2  PHE  99           HB2      PHE  99 -31.561 -33.323 -35.540
  754    HB3  PHE  99           HB1      PHE  99 -31.223 -34.872 -36.313
  755    HD1  PHE  99           HD1      PHE  99 -33.549 -31.966 -36.292
  756    HD2  PHE  99           HD2      PHE  99 -32.237 -35.475 -38.391
  757    HE1  PHE  99           HE1      PHE  99 -34.855 -31.267 -38.282
  758    HE2  PHE  99           HE2      PHE  99 -33.541 -34.775 -40.379
  759    HZ   PHE  99           HZ       PHE  99 -34.844 -32.668 -40.327
  760    H    GLU 100           HN       GLU 100 -32.781 -37.414 -34.803
  761    HA   GLU 100           HA       GLU 100 -31.721 -37.725 -32.226
  762    HB2  GLU 100           HB2      GLU 100 -32.877 -39.526 -33.448
  763    HB3  GLU 100           HB1      GLU 100 -31.528 -39.610 -34.589
  764    HG2  GLU 100           HG2      GLU 100 -30.002 -40.242 -32.784
  765    HG3  GLU 100           HG1      GLU 100 -31.288 -40.045 -31.593
  766    H    LYS 101           HN       LYS 101 -30.194 -37.103 -35.281
  767    HA   LYS 101           HA       LYS 101 -27.519 -37.340 -34.010
  768    HB2  LYS 101           HB2      LYS 101 -28.261 -37.575 -36.926
  769    HB3  LYS 101           HB1      LYS 101 -26.655 -37.789 -36.235
  770    HG2  LYS 101           HG2      LYS 101 -27.396 -39.700 -34.969
  771    HG3  LYS 101           HG1      LYS 101 -29.066 -39.448 -35.468
  772    HD2  LYS 101           HD2      LYS 101 -28.358 -39.774 -37.841
  773    HD3  LYS 101           HD1      LYS 101 -26.736 -40.177 -37.265
  774    HE2  LYS 101           HE2      LYS 101 -29.217 -41.627 -36.321
  775    HE3  LYS 101           HE1      LYS 101 -28.265 -42.168 -37.703
  776    HZ1  LYS 101           HZ1      LYS 101 -27.463 -43.319 -35.822
  777    HZ2  LYS 101           HZ2      LYS 101 -27.389 -41.906 -34.883
  778    HZ3  LYS 101           HZ3      LYS 101 -26.303 -42.132 -36.169
  779    H    GLY 102           HN       GLY 102 -26.058 -35.652 -34.345
  780    HA2  GLY 102           HA2      GLY 102 -27.171 -33.072 -34.630
  781    HA3  GLY 102           HA1      GLY 102 -25.454 -33.434 -34.606
  782    H    ASP 103           HN       ASP 103 -26.160 -31.463 -36.227
  783    HA   ASP 103           HA       ASP 103 -26.010 -30.700 -38.372
  784    HB2  ASP 103           HB2      ASP 103 -24.051 -32.342 -38.342
  785    HB3  ASP 103           HB1      ASP 103 -25.121 -33.475 -39.164
  786    H    PHE 104           HN       PHE 104 -28.465 -31.931 -37.393
  787    HA   PHE 104           HA       PHE 104 -30.528 -32.585 -38.139
  788    HB2  PHE 104           HB2      PHE 104 -29.669 -31.723 -40.895
  789    HB3  PHE 104           HB1      PHE 104 -31.264 -31.634 -40.150
  790    HD1  PHE 104           HD2      PHE 104 -31.114 -30.370 -37.705
  791    HD2  PHE 104           HD1      PHE 104 -28.627 -29.642 -41.132
  792    HE1  PHE 104           HE2      PHE 104 -30.611 -28.099 -36.861
  793    HE2  PHE 104           HE1      PHE 104 -28.128 -27.371 -40.284
  794    HZ   PHE 104           HZ       PHE 104 -29.120 -26.604 -38.152
  795    H    SER 105           HN       SER 105 -29.950 -34.841 -37.790
  796    HA   SER 105           HA       SER 105 -30.348 -36.389 -40.188
  797    HB2  SER 105           HB2      SER 105 -27.684 -36.350 -38.799
  798    HB3  SER 105           HB1      SER 105 -28.238 -37.815 -39.602
  799    HG   SER 105           HG       SER 105 -28.714 -36.179 -41.391
  800    H    GLY 106           HN       GLY 106 -30.598 -38.692 -39.698
  801    HA2  GLY 106           HA2      GLY 106 -31.083 -40.510 -38.289
  802    HA3  GLY 106           HA1      GLY 106 -30.956 -39.440 -36.900
  803    H    GLN 107           HN       GLN 107 -32.900 -40.256 -36.049
  804    HA   GLN 107           HA       GLN 107 -35.359 -40.203 -37.489
  805    HB2  GLN 107           HB2      GLN 107 -35.080 -41.700 -35.593
  806    HB3  GLN 107           HB1      GLN 107 -34.813 -40.335 -34.512
  807    HG2  GLN 107           HG2      GLN 107 -37.129 -41.214 -34.361
  808    HG3  GLN 107           HG1      GLN 107 -37.098 -39.538 -34.917
  809   HE21  GLN 107          HE21      GLN 107 -38.968 -39.556 -36.223
  810   HE22  GLN 107          HE22      GLN 107 -39.157 -40.548 -37.588
  811    H    MET 108           HN       MET 108 -36.894 -38.646 -37.670
  812    HA   MET 108           HA       MET 108 -36.400 -36.079 -36.303
  813    HB2  MET 108           HB2      MET 108 -35.904 -36.013 -38.741
  814    HB3  MET 108           HB1      MET 108 -37.596 -36.413 -39.040
  815    HG2  MET 108           HG2      MET 108 -38.275 -34.398 -37.745
  816    HG3  MET 108           HG1      MET 108 -36.574 -33.989 -37.524
  817    HE1  MET 108           HE1      MET 108 -39.226 -33.581 -41.187
  818    HE2  MET 108           HE2      MET 108 -39.661 -33.649 -39.482
  819    HE3  MET 108           HE3      MET 108 -39.106 -35.108 -40.302
  820    H    TYR 109           HN       TYR 109 -37.992 -35.395 -34.993
  821    HA   TYR 109           HA       TYR 109 -40.700 -36.504 -35.431
  822    HB2  TYR 109           HB2      TYR 109 -39.235 -35.790 -32.898
  823    HB3  TYR 109           HB1      TYR 109 -40.975 -36.044 -32.970
  824    HD1  TYR 109           HD2      TYR 109 -41.712 -38.262 -34.278
  825    HD2  TYR 109           HD1      TYR 109 -37.893 -37.653 -32.401
  826    HE1  TYR 109           HE2      TYR 109 -41.387 -40.715 -34.146
  827    HE2  TYR 109           HE1      TYR 109 -37.569 -40.109 -32.272
  828    HH   TYR 109           HH       TYR 109 -38.848 -42.133 -32.293
  829    H    GLU 110           HN       GLU 110 -42.325 -35.135 -35.640
  830    HA   GLU 110           HA       GLU 110 -41.836 -32.249 -35.184
  831    HB2  GLU 110           HB2      GLU 110 -43.636 -32.064 -37.083
  832    HB3  GLU 110           HB1      GLU 110 -41.955 -32.368 -37.509
  833    HG2  GLU 110           HG2      GLU 110 -42.391 -34.752 -37.694
  834    HG3  GLU 110           HG1      GLU 110 -44.046 -34.525 -37.129
  835    H    THR 111           HN       THR 111 -43.069 -31.457 -33.608
  836    HA   THR 111           HA       THR 111 -45.877 -32.280 -33.400
  837    HB   THR 111           HB       THR 111 -44.374 -33.733 -31.895
  838    HG1  THR 111           HG1      THR 111 -45.941 -32.958 -30.044
  839   HG21  THR 111          HG21      THR 111 -43.528 -32.777 -29.880
  840   HG22  THR 111          HG22      THR 111 -44.404 -31.275 -30.139
  841   HG23  THR 111          HG23      THR 111 -43.023 -31.675 -31.159
  842    H    THR 112           HN       THR 112 -47.103 -30.526 -33.157
  843    HA   THR 112           HA       THR 112 -45.845 -27.975 -32.438
  844    HB   THR 112           HB       THR 112 -47.219 -27.844 -34.357
  845    HG1  THR 112           HG1      THR 112 -47.950 -26.073 -33.544
  846   HG21  THR 112          HG21      THR 112 -49.255 -29.322 -32.691
  847   HG22  THR 112          HG22      THR 112 -48.513 -29.837 -34.208
  848   HG23  THR 112          HG23      THR 112 -49.666 -28.502 -34.197
  849    H    GLU 113           HN       GLU 113 -45.999 -29.775 -30.329
  850    HA   GLU 113           HA       GLU 113 -47.744 -28.279 -28.480
  851    HB2  GLU 113           HB2      GLU 113 -48.231 -30.555 -27.348
  852    HB3  GLU 113           HB1      GLU 113 -49.131 -30.153 -28.814
  853    HG2  GLU 113           HG2      GLU 113 -47.619 -31.483 -30.167
  854    HG3  GLU 113           HG1      GLU 113 -46.593 -31.806 -28.771
  855    H    ASP 114           HN       ASP 114 -47.247 -29.233 -26.140
  856    HA   ASP 114           HA       ASP 114 -44.379 -28.865 -25.742
  857    HB2  ASP 114           HB2      ASP 114 -45.000 -29.027 -23.315
  858    HB3  ASP 114           HB1      ASP 114 -45.802 -27.726 -24.188
  859    H    CYS 115           HN       CYS 115 -43.164 -30.325 -24.389
  860    HA   CYS 115           HA       CYS 115 -44.111 -33.122 -24.455
  861    HB2  CYS 115           HB2      CYS 115 -42.618 -32.798 -26.336
  862    HB3  CYS 115           HB1      CYS 115 -41.390 -32.106 -25.278
  863    HG   CYS 115           HG       CYS 115 -40.871 -34.394 -24.320
  864    HA   PRO 116           HA       PRO 116 -42.438 -32.538 -20.263
  865    HB2  PRO 116           HB2      PRO 116 -43.414 -34.818 -19.125
  866    HB3  PRO 116           HB1      PRO 116 -44.447 -33.414 -19.459
  867    HG2  PRO 116           HG2      PRO 116 -44.161 -35.956 -20.990
  868    HG3  PRO 116           HG1      PRO 116 -45.615 -35.001 -20.661
  869    HD2  PRO 116           HD2      PRO 116 -44.208 -34.941 -23.056
  870    HD3  PRO 116           HD1      PRO 116 -45.265 -33.629 -22.484
  871    H    SER 117           HN       SER 117 -42.417 -35.840 -21.630
  872    HA   SER 117           HA       SER 117 -39.531 -36.096 -20.924
  873    HB2  SER 117           HB2      SER 117 -41.699 -38.213 -20.964
  874    HB3  SER 117           HB1      SER 117 -39.976 -38.570 -20.843
  875    HG   SER 117           HG       SER 117 -41.674 -37.215 -19.039
  876    H    ILE 118           HN       ILE 118 -38.396 -35.867 -22.741
  877    HA   ILE 118           HA       ILE 118 -39.478 -36.216 -25.325
  878    HB   ILE 118           HB       ILE 118 -37.376 -34.860 -24.364
  879   HG12  ILE 118          HG12      ILE 118 -37.378 -35.954 -27.193
  880   HG13  ILE 118          HG11      ILE 118 -38.430 -34.656 -26.633
  881   HG21  ILE 118          HG21      ILE 118 -36.032 -37.264 -25.589
  882   HG22  ILE 118          HG22      ILE 118 -36.071 -36.900 -23.867
  883   HG23  ILE 118          HG23      ILE 118 -35.254 -35.809 -24.978
  884   HD11  ILE 118          HD11      ILE 118 -35.468 -34.392 -26.222
  885   HD12  ILE 118          HD12      ILE 118 -36.700 -33.143 -26.406
  886   HD13  ILE 118          HD13      ILE 118 -36.173 -34.065 -27.803
  887    H    MET 119           HN       MET 119 -37.339 -38.191 -23.358
  888    HA   MET 119           HA       MET 119 -36.886 -40.205 -25.298
  889    HB2  MET 119           HB2      MET 119 -35.468 -39.837 -23.289
  890    HB3  MET 119           HB1      MET 119 -36.792 -40.449 -22.294
  891    HG2  MET 119           HG2      MET 119 -36.708 -42.600 -23.380
  892    HG3  MET 119           HG1      MET 119 -35.559 -42.003 -24.574
  893    HE1  MET 119           HE1      MET 119 -33.996 -43.973 -24.159
  894    HE2  MET 119           HE2      MET 119 -35.161 -44.614 -23.003
  895    HE3  MET 119           HE3      MET 119 -33.457 -44.523 -22.566
  896    H    GLU 120           HN       GLU 120 -39.554 -39.565 -23.180
  897    HA   GLU 120           HA       GLU 120 -40.551 -42.235 -23.067
  898    HB2  GLU 120           HB2      GLU 120 -41.152 -40.458 -21.468
  899    HB3  GLU 120           HB1      GLU 120 -42.038 -39.638 -22.753
  900    HG2  GLU 120           HG2      GLU 120 -43.630 -40.907 -21.485
  901    HG3  GLU 120           HG1      GLU 120 -43.423 -41.752 -23.010
  902    H    GLN 121           HN       GLN 121 -41.470 -39.415 -25.046
  903    HA   GLN 121           HA       GLN 121 -43.222 -41.158 -26.634
  904    HB2  GLN 121           HB2      GLN 121 -44.212 -39.146 -27.466
  905    HB3  GLN 121           HB1      GLN 121 -44.140 -39.097 -25.712
  906    HG2  GLN 121           HG2      GLN 121 -42.628 -37.344 -25.667
  907    HG3  GLN 121           HG1      GLN 121 -41.811 -37.870 -27.131
  908   HE21  GLN 121          HE21      GLN 121 -42.863 -35.150 -26.458
  909   HE22  GLN 121          HE22      GLN 121 -43.946 -34.760 -27.701
  910    H    PHE 122           HN       PHE 122 -40.197 -39.431 -26.914
  911    HA   PHE 122           HA       PHE 122 -40.166 -40.056 -29.812
  912    HB2  PHE 122           HB2      PHE 122 -38.612 -37.961 -28.278
  913    HB3  PHE 122           HB1      PHE 122 -38.421 -38.315 -29.990
  914    HD1  PHE 122           HD2      PHE 122 -40.977 -38.549 -31.174
  915    HD2  PHE 122           HD1      PHE 122 -39.835 -36.001 -27.902
  916    HE1  PHE 122           HE2      PHE 122 -42.834 -37.030 -31.704
  917    HE2  PHE 122           HE1      PHE 122 -41.693 -34.468 -28.465
  918    HZ   PHE 122           HZ       PHE 122 -43.195 -34.998 -30.364
  919    H    HIS 123           HN       HIS 123 -39.183 -41.326 -27.001
  920    HA   HIS 123           HA       HIS 123 -37.498 -42.783 -26.404
  921    HB2  HIS 123           HB2      HIS 123 -37.620 -43.204 -29.393
  922    HB3  HIS 123           HB1      HIS 123 -36.718 -44.247 -28.287
  923    HD2  HIS 123           HD2      HIS 123 -39.136 -45.881 -29.531
  924    HE1  HIS 123           HE1      HIS 123 -41.426 -44.783 -26.157
  925    HE2  HIS 123           HE2      HIS 123 -41.273 -46.392 -28.119
  926    H    MET 124           HN       MET 124 -36.831 -39.948 -27.608
  927    HA   MET 124           HA       MET 124 -34.103 -40.274 -28.485
  928    HB2  MET 124           HB2      MET 124 -35.794 -37.866 -27.796
  929    HB3  MET 124           HB1      MET 124 -34.105 -37.760 -28.267
  930    HG2  MET 124           HG2      MET 124 -35.762 -39.425 -30.077
  931    HG3  MET 124           HG1      MET 124 -36.204 -37.727 -30.043
  932    HE1  MET 124           HE1      MET 124 -35.560 -37.767 -32.704
  933    HE2  MET 124           HE2      MET 124 -34.196 -36.669 -32.859
  934    HE3  MET 124           HE3      MET 124 -35.467 -36.317 -31.700
  935    H    ARG 125           HN       ARG 125 -32.309 -40.123 -27.268
  936    HA   ARG 125           HA       ARG 125 -32.665 -39.728 -24.357
  937    HB2  ARG 125           HB2      ARG 125 -30.378 -40.972 -24.377
  938    HB3  ARG 125           HB1      ARG 125 -31.842 -41.903 -24.677
  939    HG2  ARG 125           HG2      ARG 125 -31.475 -41.760 -27.096
  940    HG3  ARG 125           HG1      ARG 125 -30.048 -40.755 -26.836
  941    HD2  ARG 125           HD2      ARG 125 -29.358 -43.063 -27.216
  942    HD3  ARG 125           HD1      ARG 125 -29.013 -42.612 -25.550
  943    HE   ARG 125           HE       ARG 125 -30.707 -44.071 -24.830
  944   HH11  ARG 125          HH21      ARG 125 -30.630 -43.754 -28.280
  945   HH12  ARG 125          HH22      ARG 125 -31.677 -45.103 -28.562
  946   HH21  ARG 125          HH11      ARG 125 -32.078 -45.836 -25.198
  947   HH22  ARG 125          HH12      ARG 125 -32.497 -46.281 -26.818
  948    H    GLU 126           HN       GLU 126 -30.990 -38.687 -27.243
  949    HA   GLU 126           HA       GLU 126 -29.903 -36.439 -25.752
  950    HB2  GLU 126           HB2      GLU 126 -28.050 -38.192 -27.377
  951    HB3  GLU 126           HB1      GLU 126 -27.624 -36.745 -26.488
  952    HG2  GLU 126           HG2      GLU 126 -28.335 -37.860 -24.377
  953    HG3  GLU 126           HG1      GLU 126 -28.598 -39.337 -25.299
  954    H    ILE 127           HN       ILE 127 -30.784 -34.875 -26.843
  955    HA   ILE 127           HA       ILE 127 -31.119 -34.933 -29.712
  956    HB   ILE 127           HB       ILE 127 -31.394 -32.489 -27.968
  957   HG12  ILE 127          HG12      ILE 127 -32.762 -34.121 -26.859
  958   HG13  ILE 127          HG11      ILE 127 -33.860 -33.192 -27.881
  959   HG21  ILE 127          HG21      ILE 127 -33.087 -31.911 -29.672
  960   HG22  ILE 127          HG22      ILE 127 -32.644 -33.369 -30.554
  961   HG23  ILE 127          HG23      ILE 127 -31.470 -32.084 -30.341
  962   HD11  ILE 127          HD11      ILE 127 -34.422 -35.481 -28.251
  963   HD12  ILE 127          HD12      ILE 127 -32.726 -35.945 -28.374
  964   HD13  ILE 127          HD13      ILE 127 -33.472 -34.999 -29.656
  965    H    HIS 128           HN       HIS 128 -29.708 -34.381 -31.174
  966    HA   HIS 128           HA       HIS 128 -27.247 -32.976 -30.359
  967    HB2  HIS 128           HB2      HIS 128 -27.859 -34.684 -32.758
  968    HB3  HIS 128           HB1      HIS 128 -26.280 -34.008 -32.366
  969    HD2  HIS 128           HD2      HIS 128 -24.924 -35.374 -30.260
  970    HE1  HIS 128           HE1      HIS 128 -27.882 -38.333 -29.688
  971    HE2  HIS 128           HE2      HIS 128 -25.510 -37.636 -29.092
  972    H    SER 129           HN       SER 129 -29.977 -32.829 -32.546
  973    HA   SER 129           HA       SER 129 -29.383 -30.050 -33.120
  974    HB2  SER 129           HB2      SER 129 -28.054 -30.959 -34.866
  975    HB3  SER 129           HB1      SER 129 -29.287 -32.149 -35.288
  976    HG   SER 129           HG       SER 129 -30.639 -30.211 -35.700
  977    H    CYS 130           HN       CYS 130 -31.140 -28.921 -34.010
  978    HA   CYS 130           HA       CYS 130 -33.659 -30.354 -34.450
  979    HB2  CYS 130           HB2      CYS 130 -34.045 -29.996 -32.180
  980    HB3  CYS 130           HB1      CYS 130 -33.088 -28.516 -32.146
  981    HG   CYS 130           HG       CYS 130 -35.078 -27.277 -33.338
  982    H    LYS 131           HN       LYS 131 -35.190 -29.142 -35.611
  983    HA   LYS 131           HA       LYS 131 -34.271 -26.548 -36.714
  984    HB2  LYS 131           HB2      LYS 131 -35.303 -28.953 -38.221
  985    HB3  LYS 131           HB1      LYS 131 -35.260 -27.332 -38.908
  986    HG2  LYS 131           HG2      LYS 131 -32.849 -27.220 -38.613
  987    HG3  LYS 131           HG1      LYS 131 -32.848 -28.763 -37.757
  988    HD2  LYS 131           HD2      LYS 131 -32.146 -29.007 -40.137
  989    HD3  LYS 131           HD1      LYS 131 -33.608 -29.923 -39.776
  990    HE2  LYS 131           HE2      LYS 131 -34.986 -28.419 -40.939
  991    HE3  LYS 131           HE1      LYS 131 -33.804 -27.111 -40.848
  992    HZ1  LYS 131           HZ1      LYS 131 -32.969 -27.753 -42.776
  993    HZ2  LYS 131           HZ2      LYS 131 -34.166 -28.952 -42.899
  994    HZ3  LYS 131           HZ3      LYS 131 -32.670 -29.314 -42.180
  995    H    VAL 132           HN       VAL 132 -36.304 -25.894 -38.301
  996    HA   VAL 132           HA       VAL 132 -38.338 -24.818 -38.180
  997    HB   VAL 132           HB       VAL 132 -39.128 -27.490 -36.991
  998   HG11  VAL 132          HG11      VAL 132 -40.672 -25.162 -38.136
  999   HG12  VAL 132          HG12      VAL 132 -40.962 -26.047 -36.641
 1000   HG13  VAL 132          HG13      VAL 132 -41.334 -26.795 -38.192
 1001   HG21  VAL 132          HG21      VAL 132 -38.008 -27.765 -39.142
 1002   HG22  VAL 132          HG22      VAL 132 -38.992 -26.487 -39.851
 1003   HG23  VAL 132          HG23      VAL 132 -39.741 -28.008 -39.364
 1004    H    LEU 133           HN       LEU 133 -37.424 -23.388 -36.526
 1005    HA   LEU 133           HA       LEU 133 -38.423 -23.865 -33.788
 1006    HB2  LEU 133           HB2      LEU 133 -36.492 -21.759 -34.775
 1007    HB3  LEU 133           HB1      LEU 133 -36.893 -22.125 -33.094
 1008    HG   LEU 133           HG       LEU 133 -35.580 -24.035 -35.056
 1009   HD11  LEU 133          HD11      LEU 133 -34.175 -22.160 -34.233
 1010   HD12  LEU 133          HD12      LEU 133 -33.595 -23.732 -33.695
 1011   HD13  LEU 133          HD13      LEU 133 -34.478 -22.686 -32.581
 1012   HD21  LEU 133          HD21      LEU 133 -36.629 -24.344 -32.245
 1013   HD22  LEU 133          HD22      LEU 133 -35.222 -25.281 -32.750
 1014   HD23  LEU 133          HD23      LEU 133 -36.751 -25.458 -33.606
 1015    H    GLU 134           HN       GLU 134 -39.106 -21.715 -32.649
 1016    HA   GLU 134           HA       GLU 134 -40.701 -20.048 -34.476
 1017    HB2  GLU 134           HB2      GLU 134 -41.684 -21.960 -32.438
 1018    HB3  GLU 134           HB1      GLU 134 -42.406 -20.360 -32.331
 1019    HG2  GLU 134           HG2      GLU 134 -43.707 -21.788 -33.804
 1020    HG3  GLU 134           HG1      GLU 134 -43.001 -20.471 -34.722
 1021    H    GLY 135           HN       GLY 135 -40.011 -18.051 -34.130
 1022    HA2  GLY 135           HA2      GLY 135 -39.028 -16.240 -33.059
 1023    HA3  GLY 135           HA1      GLY 135 -40.365 -16.506 -31.942
 1024    H    VAL 136           HN       VAL 136 -40.000 -17.586 -29.996
 1025    HA   VAL 136           HA       VAL 136 -37.155 -17.968 -29.238
 1026    HB   VAL 136           HB       VAL 136 -39.432 -17.082 -27.466
 1027   HG11  VAL 136          HG11      VAL 136 -37.475 -18.336 -26.417
 1028   HG12  VAL 136          HG12      VAL 136 -37.720 -16.702 -25.809
 1029   HG13  VAL 136          HG13      VAL 136 -36.442 -17.024 -26.976
 1030   HG21  VAL 136          HG21      VAL 136 -38.418 -14.880 -27.579
 1031   HG22  VAL 136          HG22      VAL 136 -38.815 -15.408 -29.203
 1032   HG23  VAL 136          HG23      VAL 136 -37.147 -15.476 -28.634
 1033    H    TRP 137           HN       TRP 137 -36.614 -19.831 -28.250
 1034    HA   TRP 137           HA       TRP 137 -38.789 -21.773 -27.674
 1035    HB2  TRP 137           HB2      TRP 137 -37.275 -22.123 -29.744
 1036    HB3  TRP 137           HB1      TRP 137 -36.010 -22.527 -28.579
 1037    HD1  TRP 137           HD1      TRP 137 -36.179 -24.768 -27.329
 1038    HE1  TRP 137           HE1      TRP 137 -37.748 -26.820 -27.531
 1039    HE3  TRP 137           HE3      TRP 137 -39.774 -22.794 -30.333
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.229 -27.493 -28.805
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.726 -24.149 -31.032
 1042    HH2  TRP 137           HH2      TRP 137 -41.949 -26.496 -30.275
 1043    H    ILE 138           HN       ILE 138 -37.965 -23.593 -26.238
 1044    HA   ILE 138           HA       ILE 138 -35.936 -22.777 -24.285
 1045    HB   ILE 138           HB       ILE 138 -38.841 -23.207 -23.568
 1046   HG12  ILE 138          HG12      ILE 138 -36.859 -21.016 -22.874
 1047   HG13  ILE 138          HG11      ILE 138 -38.081 -20.900 -24.136
 1048   HG21  ILE 138          HG21      ILE 138 -37.649 -24.564 -21.986
 1049   HG22  ILE 138          HG22      ILE 138 -37.982 -23.048 -21.166
 1050   HG23  ILE 138          HG23      ILE 138 -36.373 -23.365 -21.811
 1051   HD11  ILE 138          HD11      ILE 138 -39.688 -21.602 -22.082
 1052   HD12  ILE 138          HD12      ILE 138 -39.273 -19.923 -22.424
 1053   HD13  ILE 138          HD13      ILE 138 -38.401 -20.806 -21.177
 1054    H    PHE 139           HN       PHE 139 -34.699 -24.453 -23.811
 1055    HA   PHE 139           HA       PHE 139 -35.795 -27.204 -24.054
 1056    HB2  PHE 139           HB2      PHE 139 -33.303 -25.940 -25.003
 1057    HB3  PHE 139           HB1      PHE 139 -32.986 -27.390 -24.072
 1058    HD1  PHE 139           HD1      PHE 139 -35.970 -26.686 -26.209
 1059    HD2  PHE 139           HD2      PHE 139 -32.340 -28.932 -25.782
 1060    HE1  PHE 139           HE1      PHE 139 -36.610 -28.073 -28.143
 1061    HE2  PHE 139           HE2      PHE 139 -32.991 -30.333 -27.712
 1062    HZ   PHE 139           HZ       PHE 139 -35.124 -29.899 -28.898
 1063    H    TYR 140           HN       TYR 140 -35.819 -28.450 -22.341
 1064    HA   TYR 140           HA       TYR 140 -34.664 -27.340 -19.842
 1065    HB2  TYR 140           HB2      TYR 140 -37.099 -28.970 -20.477
 1066    HB3  TYR 140           HB1      TYR 140 -36.383 -29.124 -18.894
 1067    HD1  TYR 140           HD2      TYR 140 -35.974 -26.983 -17.535
 1068    HD2  TYR 140           HD1      TYR 140 -38.479 -27.118 -21.004
 1069    HE1  TYR 140           HE2      TYR 140 -37.095 -24.908 -16.801
 1070    HE2  TYR 140           HE1      TYR 140 -39.591 -25.031 -20.289
 1071    HH   TYR 140           HH       TYR 140 -39.742 -23.472 -18.716
 1072    H    GLU 141           HN       GLU 141 -32.778 -28.223 -19.349
 1073    HA   GLU 141           HA       GLU 141 -31.670 -30.540 -20.307
 1074    HB2  GLU 141           HB2      GLU 141 -30.517 -28.805 -18.926
 1075    HB3  GLU 141           HB1      GLU 141 -31.262 -29.530 -17.497
 1076    HG2  GLU 141           HG2      GLU 141 -30.227 -31.708 -18.082
 1077    HG3  GLU 141           HG1      GLU 141 -29.463 -30.951 -19.476
 1078    H    LEU 142           HN       LEU 142 -34.104 -30.204 -17.813
 1079    HA   LEU 142           HA       LEU 142 -33.971 -33.123 -17.311
 1080    HB2  LEU 142           HB2      LEU 142 -34.374 -30.785 -15.576
 1081    HB3  LEU 142           HB1      LEU 142 -35.586 -32.016 -15.315
 1082    HG   LEU 142           HG       LEU 142 -33.748 -33.697 -15.063
 1083   HD11  LEU 142          HD11      LEU 142 -31.940 -32.691 -16.249
 1084   HD12  LEU 142          HD12      LEU 142 -31.469 -32.639 -14.552
 1085   HD13  LEU 142          HD13      LEU 142 -32.082 -31.187 -15.341
 1086   HD21  LEU 142          HD21      LEU 142 -33.637 -31.302 -13.203
 1087   HD22  LEU 142          HD22      LEU 142 -33.083 -32.931 -12.815
 1088   HD23  LEU 142          HD23      LEU 142 -34.796 -32.628 -13.105
 1089    HA   PRO 143           HA       PRO 143 -38.035 -33.403 -18.990
 1090    HB2  PRO 143           HB2      PRO 143 -39.074 -35.558 -17.731
 1091    HB3  PRO 143           HB1      PRO 143 -37.677 -35.689 -18.819
 1092    HG2  PRO 143           HG2      PRO 143 -37.775 -35.786 -15.851
 1093    HG3  PRO 143           HG1      PRO 143 -36.672 -36.597 -16.973
 1094    HD2  PRO 143           HD2      PRO 143 -36.143 -34.224 -15.513
 1095    HD3  PRO 143           HD1      PRO 143 -35.153 -34.904 -16.809
 1096    H    ASN 144           HN       ASN 144 -40.371 -33.327 -18.535
 1097    HA   ASN 144           HA       ASN 144 -42.247 -32.608 -17.431
 1098    HB2  ASN 144           HB2      ASN 144 -40.706 -32.319 -14.858
 1099    HB3  ASN 144           HB1      ASN 144 -42.404 -32.713 -15.098
 1100   HD21  ASN 144          HD21      ASN 144 -41.438 -34.614 -17.374
 1101   HD22  ASN 144          HD22      ASN 144 -40.937 -35.995 -16.526
 1102    H    TYR 145           HN       TYR 145 -39.824 -30.906 -18.426
 1103    HA   TYR 145           HA       TYR 145 -39.649 -28.670 -18.867
 1104    HB2  TYR 145           HB2      TYR 145 -41.760 -27.943 -16.854
 1105    HB3  TYR 145           HB1      TYR 145 -41.373 -27.201 -18.402
 1106    HD1  TYR 145           HD2      TYR 145 -41.516 -29.052 -20.441
 1107    HD2  TYR 145           HD1      TYR 145 -43.811 -29.077 -16.812
 1108    HE1  TYR 145           HE2      TYR 145 -43.281 -30.381 -21.566
 1109    HE2  TYR 145           HE1      TYR 145 -45.555 -30.437 -17.929
 1110    HH   TYR 145           HH       TYR 145 -46.296 -31.213 -19.905
 1111    H    ARG 146           HN       ARG 146 -38.350 -30.151 -16.623
 1112    HA   ARG 146           HA       ARG 146 -37.765 -27.922 -14.775
 1113    HB2  ARG 146           HB2      ARG 146 -37.420 -30.909 -14.485
 1114    HB3  ARG 146           HB1      ARG 146 -36.782 -29.736 -13.332
 1115    HG2  ARG 146           HG2      ARG 146 -39.064 -28.863 -12.966
 1116    HG3  ARG 146           HG1      ARG 146 -39.696 -30.039 -14.119
 1117    HD2  ARG 146           HD2      ARG 146 -38.163 -30.783 -11.614
 1118    HD3  ARG 146           HD1      ARG 146 -39.920 -30.758 -11.722
 1119    HE   ARG 146           HE       ARG 146 -39.009 -32.347 -13.825
 1120   HH11  ARG 146          HH21      ARG 146 -38.912 -32.269 -10.368
 1121   HH12  ARG 146          HH22      ARG 146 -38.864 -33.991 -10.192
 1122   HH21  ARG 146          HH11      ARG 146 -38.942 -34.607 -13.603
 1123   HH22  ARG 146          HH12      ARG 146 -38.882 -35.316 -12.023
 1124    H    GLY 147           HN       GLY 147 -35.479 -27.866 -13.991
 1125    HA2  GLY 147           HA2      GLY 147 -33.140 -28.141 -14.403
 1126    HA3  GLY 147           HA1      GLY 147 -33.515 -28.729 -16.018
 1127    H    ARG 148           HN       ARG 148 -31.560 -26.939 -15.816
 1128    HA   ARG 148           HA       ARG 148 -32.365 -24.221 -16.023
 1129    HB2  ARG 148           HB2      ARG 148 -30.125 -23.831 -16.860
 1130    HB3  ARG 148           HB1      ARG 148 -30.040 -24.983 -15.523
 1131    HG2  ARG 148           HG2      ARG 148 -30.140 -26.827 -17.285
 1132    HG3  ARG 148           HG1      ARG 148 -29.879 -25.567 -18.488
 1133    HD2  ARG 148           HD2      ARG 148 -27.717 -26.460 -17.948
 1134    HD3  ARG 148           HD1      ARG 148 -27.826 -24.880 -17.176
 1135    HE   ARG 148           HE       ARG 148 -28.713 -26.617 -15.255
 1136   HH11  ARG 148          HH21      ARG 148 -25.906 -26.379 -17.262
 1137   HH12  ARG 148          HH22      ARG 148 -24.845 -27.106 -16.102
 1138   HH21  ARG 148          HH11      ARG 148 -27.332 -27.567 -13.729
 1139   HH22  ARG 148          HH12      ARG 148 -25.654 -27.778 -14.099
 1140    H    GLN 149           HN       GLN 149 -32.705 -22.950 -17.838
 1141    HA   GLN 149           HA       GLN 149 -33.610 -24.416 -20.203
 1142    HB2  GLN 149           HB2      GLN 149 -34.023 -21.617 -19.209
 1143    HB3  GLN 149           HB1      GLN 149 -34.503 -22.102 -20.832
 1144    HG2  GLN 149           HG2      GLN 149 -36.454 -22.416 -19.558
 1145    HG3  GLN 149           HG1      GLN 149 -35.768 -24.036 -19.624
 1146   HE21  GLN 149          HE21      GLN 149 -36.968 -21.676 -17.506
 1147   HE22  GLN 149          HE22      GLN 149 -36.313 -22.295 -16.064
 1148    H    TYR 150           HN       TYR 150 -32.900 -23.958 -22.297
 1149    HA   TYR 150           HA       TYR 150 -30.273 -22.579 -22.444
 1150    HB2  TYR 150           HB2      TYR 150 -31.405 -24.905 -24.000
 1151    HB3  TYR 150           HB1      TYR 150 -29.974 -24.014 -24.521
 1152    HD1  TYR 150           HD2      TYR 150 -28.170 -23.615 -22.593
 1153    HD2  TYR 150           HD1      TYR 150 -31.075 -26.781 -22.634
 1154    HE1  TYR 150           HE2      TYR 150 -26.755 -24.935 -21.044
 1155    HE2  TYR 150           HE1      TYR 150 -29.657 -28.100 -21.085
 1156    HH   TYR 150           HH       TYR 150 -27.906 -27.843 -19.529
 1157    H    LEU 151           HN       LEU 151 -30.065 -20.875 -23.731
 1158    HA   LEU 151           HA       LEU 151 -31.859 -20.462 -26.002
 1159    HB2  LEU 151           HB2      LEU 151 -33.014 -19.375 -24.097
 1160    HB3  LEU 151           HB1      LEU 151 -31.572 -18.408 -23.791
 1161    HG   LEU 151           HG       LEU 151 -31.759 -17.430 -26.070
 1162   HD11  LEU 151          HD11      LEU 151 -34.056 -19.369 -26.221
 1163   HD12  LEU 151          HD12      LEU 151 -32.856 -18.959 -27.447
 1164   HD13  LEU 151          HD13      LEU 151 -34.172 -17.842 -27.101
 1165   HD21  LEU 151          HD21      LEU 151 -34.221 -17.252 -24.314
 1166   HD22  LEU 151          HD22      LEU 151 -33.853 -16.125 -25.619
 1167   HD23  LEU 151          HD23      LEU 151 -32.779 -16.238 -24.223
 1168    H    LEU 152           HN       LEU 152 -30.174 -20.508 -27.437
 1169    HA   LEU 152           HA       LEU 152 -28.415 -18.182 -27.437
 1170    HB2  LEU 152           HB2      LEU 152 -27.453 -20.567 -26.330
 1171    HB3  LEU 152           HB1      LEU 152 -26.802 -20.588 -27.965
 1172    HG   LEU 152           HG       LEU 152 -26.530 -18.287 -25.998
 1173   HD11  LEU 152          HD11      LEU 152 -24.115 -18.984 -26.022
 1174   HD12  LEU 152          HD12      LEU 152 -24.592 -20.426 -26.918
 1175   HD13  LEU 152          HD13      LEU 152 -25.190 -20.171 -25.278
 1176   HD21  LEU 152          HD21      LEU 152 -24.696 -17.711 -27.829
 1177   HD22  LEU 152          HD22      LEU 152 -26.375 -17.261 -28.099
 1178   HD23  LEU 152          HD23      LEU 152 -25.717 -18.702 -28.873
 1179    H    ASP 153           HN       ASP 153 -27.425 -17.775 -29.460
 1180    HA   ASP 153           HA       ASP 153 -27.184 -17.848 -31.743
 1181    HB2  ASP 153           HB2      ASP 153 -27.130 -20.441 -31.238
 1182    HB3  ASP 153           HB1      ASP 153 -28.743 -20.409 -31.940
 1183    H    LYS 154           HN       LYS 154 -28.553 -17.671 -33.713
 1184    HA   LYS 154           HA       LYS 154 -30.865 -16.132 -33.195
 1185    HB2  LYS 154           HB2      LYS 154 -29.858 -17.430 -35.734
 1186    HB3  LYS 154           HB1      LYS 154 -31.217 -16.306 -35.669
 1187    HG2  LYS 154           HG2      LYS 154 -29.785 -14.557 -34.758
 1188    HG3  LYS 154           HG1      LYS 154 -28.426 -15.676 -34.672
 1189    HD2  LYS 154           HD2      LYS 154 -28.076 -14.428 -36.673
 1190    HD3  LYS 154           HD1      LYS 154 -28.700 -15.992 -37.195
 1191    HE2  LYS 154           HE2      LYS 154 -30.874 -15.099 -37.610
 1192    HE3  LYS 154           HE1      LYS 154 -30.512 -13.609 -36.737
 1193    HZ1  LYS 154           HZ1      LYS 154 -30.388 -13.726 -39.329
 1194    HZ2  LYS 154           HZ2      LYS 154 -28.833 -14.334 -39.021
 1195    HZ3  LYS 154           HZ3      LYS 154 -29.279 -12.798 -38.445
 1196    H    LYS 155           HN       LYS 155 -30.888 -18.989 -35.287
 1197    HA   LYS 155           HA       LYS 155 -32.878 -20.337 -33.708
 1198    HB2  LYS 155           HB2      LYS 155 -34.585 -20.259 -35.611
 1199    HB3  LYS 155           HB1      LYS 155 -34.415 -18.793 -34.644
 1200    HG2  LYS 155           HG2      LYS 155 -32.884 -17.852 -36.344
 1201    HG3  LYS 155           HG1      LYS 155 -33.076 -19.309 -37.320
 1202    HD2  LYS 155           HD2      LYS 155 -35.528 -18.867 -37.425
 1203    HD3  LYS 155           HD1      LYS 155 -35.264 -17.360 -36.546
 1204    HE2  LYS 155           HE2      LYS 155 -34.024 -18.074 -39.220
 1205    HE3  LYS 155           HE1      LYS 155 -35.362 -16.950 -38.977
 1206    HZ1  LYS 155           HZ1      LYS 155 -33.769 -15.778 -37.384
 1207    HZ2  LYS 155           HZ2      LYS 155 -33.501 -15.594 -39.052
 1208    HZ3  LYS 155           HZ3      LYS 155 -32.544 -16.668 -38.149
 1209    H    GLU 156           HN       GLU 156 -30.821 -21.668 -34.109
 1210    HA   GLU 156           HA       GLU 156 -31.471 -23.776 -35.894
 1211    HB2  GLU 156           HB2      GLU 156 -30.609 -22.109 -37.547
 1212    HB3  GLU 156           HB1      GLU 156 -29.063 -22.132 -36.699
 1213    HG2  GLU 156           HG2      GLU 156 -28.853 -24.545 -37.111
 1214    HG3  GLU 156           HG1      GLU 156 -30.416 -24.551 -37.935
 1215    H    TYR 157           HN       TYR 157 -30.538 -25.611 -35.138
 1216    HA   TYR 157           HA       TYR 157 -28.072 -25.353 -33.537
 1217    HB2  TYR 157           HB2      TYR 157 -30.281 -27.207 -32.695
 1218    HB3  TYR 157           HB1      TYR 157 -28.910 -26.619 -31.754
 1219    HD1  TYR 157           HD2      TYR 157 -28.824 -23.832 -31.862
 1220    HD2  TYR 157           HD1      TYR 157 -32.330 -26.307 -32.026
 1221    HE1  TYR 157           HE2      TYR 157 -30.201 -21.955 -31.017
 1222    HE2  TYR 157           HE1      TYR 157 -33.699 -24.424 -31.185
 1223    HH   TYR 157           HH       TYR 157 -33.721 -22.216 -30.761
 1224    H    ARG 158           HN       ARG 158 -26.590 -26.422 -34.658
 1225    HA   ARG 158           HA       ARG 158 -27.325 -28.990 -35.918
 1226    HB2  ARG 158           HB2      ARG 158 -25.414 -28.685 -37.349
 1227    HB3  ARG 158           HB1      ARG 158 -26.354 -27.195 -37.366
 1228    HG2  ARG 158           HG2      ARG 158 -24.820 -26.266 -35.619
 1229    HG3  ARG 158           HG1      ARG 158 -23.836 -27.724 -35.765
 1230    HD2  ARG 158           HD2      ARG 158 -22.858 -26.037 -37.177
 1231    HD3  ARG 158           HD1      ARG 158 -23.601 -27.254 -38.210
 1232    HE   ARG 158           HE       ARG 158 -25.449 -25.160 -37.667
 1233   HH11  ARG 158          HH21      ARG 158 -22.601 -25.966 -39.451
 1234   HH12  ARG 158          HH22      ARG 158 -22.896 -24.816 -40.712
 1235   HH21  ARG 158          HH11      ARG 158 -25.849 -23.648 -39.314
 1236   HH22  ARG 158          HH12      ARG 158 -24.737 -23.501 -40.633
 1237    H    LYS 159           HN       LYS 159 -25.328 -27.514 -33.483
 1238    HA   LYS 159           HA       LYS 159 -24.123 -30.155 -32.888
 1239    HB2  LYS 159           HB2      LYS 159 -22.337 -28.641 -31.699
 1240    HB3  LYS 159           HB1      LYS 159 -22.262 -28.849 -33.452
 1241    HG2  LYS 159           HG2      LYS 159 -23.547 -26.712 -33.704
 1242    HG3  LYS 159           HG1      LYS 159 -23.509 -26.550 -31.955
 1243    HD2  LYS 159           HD2      LYS 159 -21.118 -26.407 -31.935
 1244    HD3  LYS 159           HD1      LYS 159 -21.035 -26.750 -33.663
 1245    HE2  LYS 159           HE2      LYS 159 -22.459 -24.659 -34.014
 1246    HE3  LYS 159           HE1      LYS 159 -22.171 -24.286 -32.314
 1247    HZ1  LYS 159           HZ1      LYS 159 -20.474 -23.854 -34.519
 1248    HZ2  LYS 159           HZ2      LYS 159 -19.715 -24.934 -33.448
 1249    HZ3  LYS 159           HZ3      LYS 159 -20.236 -23.412 -32.897
 1250    HA   PRO 160           HA       PRO 160 -26.067 -30.072 -28.977
 1251    HB2  PRO 160           HB2      PRO 160 -23.997 -30.942 -27.305
 1252    HB3  PRO 160           HB1      PRO 160 -25.067 -31.967 -28.253
 1253    HG2  PRO 160           HG2      PRO 160 -22.327 -31.058 -28.871
 1254    HG3  PRO 160           HG1      PRO 160 -23.091 -32.621 -29.201
 1255    HD2  PRO 160           HD2      PRO 160 -22.734 -30.784 -31.138
 1256    HD3  PRO 160           HD1      PRO 160 -24.146 -31.840 -31.124
 1257    H    ILE 161           HN       ILE 161 -23.303 -28.131 -29.515
 1258    HA   ILE 161           HA       ILE 161 -23.677 -26.710 -26.961
 1259    HB   ILE 161           HB       ILE 161 -21.505 -26.358 -29.037
 1260   HG12  ILE 161          HG12      ILE 161 -20.334 -27.704 -26.929
 1261   HG13  ILE 161          HG11      ILE 161 -21.922 -28.457 -26.954
 1262   HG21  ILE 161          HG21      ILE 161 -20.313 -25.515 -26.911
 1263   HG22  ILE 161          HG22      ILE 161 -21.917 -25.439 -26.188
 1264   HG23  ILE 161          HG23      ILE 161 -21.545 -24.470 -27.614
 1265   HD11  ILE 161          HD11      ILE 161 -19.961 -28.276 -29.257
 1266   HD12  ILE 161          HD12      ILE 161 -21.610 -28.877 -29.412
 1267   HD13  ILE 161          HD13      ILE 161 -20.453 -29.733 -28.394
 1268    H    ASP 162           HN       ASP 162 -24.726 -26.629 -30.090
 1269    HA   ASP 162           HA       ASP 162 -24.469 -23.960 -30.848
 1270    HB2  ASP 162           HB2      ASP 162 -25.597 -26.098 -32.079
 1271    HB3  ASP 162           HB1      ASP 162 -27.043 -25.295 -31.533
 1272    H    TRP 163           HN       TRP 163 -26.589 -25.486 -28.533
 1273    HA   TRP 163           HA       TRP 163 -28.093 -22.964 -28.199
 1274    HB2  TRP 163           HB2      TRP 163 -29.573 -24.556 -26.770
 1275    HB3  TRP 163           HB1      TRP 163 -29.653 -24.675 -28.528
 1276    HD1  TRP 163           HD1      TRP 163 -27.232 -26.198 -25.927
 1277    HE1  TRP 163           HE1      TRP 163 -27.052 -28.721 -26.378
 1278    HE3  TRP 163           HE3      TRP 163 -30.415 -26.650 -29.887
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.077 -30.657 -28.165
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.759 -28.861 -30.967
 1281    HH2  TRP 163           HH2      TRP 163 -29.561 -30.860 -30.105
 1282    H    GLY 164           HN       GLY 164 -25.323 -23.670 -27.198
 1283    HA2  GLY 164           HA2      GLY 164 -24.119 -23.088 -25.335
 1284    HA3  GLY 164           HA1      GLY 164 -25.610 -22.449 -24.658
 1285    H    ALA 165           HN       ALA 165 -25.322 -25.861 -25.560
 1286    HA   ALA 165           HA       ALA 165 -25.383 -26.517 -22.646
 1287    HB1  ALA 165           HB1      ALA 165 -27.365 -27.281 -23.911
 1288    HB2  ALA 165           HB2      ALA 165 -26.427 -28.613 -23.245
 1289    HB3  ALA 165           HB3      ALA 165 -26.298 -28.216 -24.948
 1290    H    ALA 166           HN       ALA 166 -23.933 -27.893 -21.803
 1291    HA   ALA 166           HA       ALA 166 -21.509 -28.336 -23.298
 1292    HB1  ALA 166           HB1      ALA 166 -22.187 -29.387 -20.546
 1293    HB2  ALA 166           HB2      ALA 166 -21.610 -27.747 -20.835
 1294    HB3  ALA 166           HB3      ALA 166 -20.585 -29.125 -21.236
 1295    H    SER 167           HN       SER 167 -24.136 -29.740 -23.983
 1296    HA   SER 167           HA       SER 167 -23.109 -32.096 -24.973
 1297    HB2  SER 167           HB2      SER 167 -23.852 -32.268 -22.122
 1298    HB3  SER 167           HB1      SER 167 -24.469 -33.573 -23.133
 1299    HG   SER 167           HG       SER 167 -22.439 -34.173 -22.513
 1300    HA   PRO 168           HA       PRO 168 -27.164 -32.135 -26.764
 1301    HB2  PRO 168           HB2      PRO 168 -27.402 -34.759 -27.540
 1302    HB3  PRO 168           HB1      PRO 168 -26.385 -33.599 -28.388
 1303    HG2  PRO 168           HG2      PRO 168 -25.603 -35.649 -26.390
 1304    HG3  PRO 168           HG1      PRO 168 -24.770 -35.159 -27.872
 1305    HD2  PRO 168           HD2      PRO 168 -23.988 -34.308 -25.392
 1306    HD3  PRO 168           HD1      PRO 168 -23.775 -33.314 -26.849
 1307    H    ALA 169           HN       ALA 169 -26.426 -34.644 -24.411
 1308    HA   ALA 169           HA       ALA 169 -28.929 -35.659 -23.852
 1309    HB1  ALA 169           HB1      ALA 169 -27.000 -36.615 -22.800
 1310    HB2  ALA 169           HB2      ALA 169 -28.060 -36.024 -21.520
 1311    HB3  ALA 169           HB3      ALA 169 -26.630 -35.098 -21.980
 1312    H    VAL 170           HN       VAL 170 -30.442 -33.896 -24.162
 1313    HA   VAL 170           HA       VAL 170 -30.457 -31.903 -21.969
 1314    HB   VAL 170           HB       VAL 170 -30.608 -30.779 -24.020
 1315   HG11  VAL 170          HG11      VAL 170 -32.055 -33.219 -24.875
 1316   HG12  VAL 170          HG12      VAL 170 -31.014 -32.146 -25.796
 1317   HG13  VAL 170          HG13      VAL 170 -32.702 -31.730 -25.558
 1318   HG21  VAL 170          HG21      VAL 170 -33.567 -30.871 -23.825
 1319   HG22  VAL 170          HG22      VAL 170 -32.473 -29.526 -23.574
 1320   HG23  VAL 170          HG23      VAL 170 -32.793 -30.628 -22.269
 1321    H    GLN 171           HN       GLN 171 -33.348 -32.752 -23.726
 1322    HA   GLN 171           HA       GLN 171 -34.583 -34.705 -22.487
 1323    HB2  GLN 171           HB2      GLN 171 -34.061 -32.793 -20.372
 1324    HB3  GLN 171           HB1      GLN 171 -35.765 -32.836 -20.612
 1325    HG2  GLN 171           HG2      GLN 171 -34.988 -34.499 -18.972
 1326    HG3  GLN 171           HG1      GLN 171 -35.838 -35.226 -20.312
 1327   HE21  GLN 171          HE21      GLN 171 -34.626 -36.590 -21.756
 1328   HE22  GLN 171          HE22      GLN 171 -33.022 -37.063 -21.450
 1329    H    SER 172           HN       SER 172 -36.987 -33.059 -21.567
 1330    HA   SER 172           HA       SER 172 -38.121 -32.805 -24.226
 1331    HB2  SER 172           HB2      SER 172 -40.118 -33.180 -23.168
 1332    HB3  SER 172           HB1      SER 172 -39.026 -33.949 -22.038
 1333    HG   SER 172           HG       SER 172 -38.959 -31.923 -20.913
 1334    H    PHE 173           HN       PHE 173 -40.209 -31.011 -23.450
 1335    HA   PHE 173           HA       PHE 173 -39.073 -28.519 -22.695
 1336    HB2  PHE 173           HB2      PHE 173 -39.140 -27.416 -24.901
 1337    HB3  PHE 173           HB1      PHE 173 -37.956 -28.731 -24.863
 1338    HD1  PHE 173           HD1      PHE 173 -41.350 -27.767 -25.981
 1339    HD2  PHE 173           HD2      PHE 173 -38.232 -30.709 -26.171
 1340    HE1  PHE 173           HE1      PHE 173 -42.534 -28.899 -27.839
 1341    HE2  PHE 173           HE2      PHE 173 -39.412 -31.844 -28.029
 1342    HZ   PHE 173           HZ       PHE 173 -41.565 -30.939 -28.866
 1343    H    ARG 174           HN       ARG 174 -40.586 -26.678 -23.685
 1344    HA   ARG 174           HA       ARG 174 -43.325 -27.496 -24.013
 1345    HB2  ARG 174           HB2      ARG 174 -44.077 -26.172 -21.983
 1346    HB3  ARG 174           HB1      ARG 174 -43.343 -27.738 -21.665
 1347    HG2  ARG 174           HG2      ARG 174 -41.339 -26.802 -20.882
 1348    HG3  ARG 174           HG1      ARG 174 -41.617 -25.266 -21.696
 1349    HD2  ARG 174           HD2      ARG 174 -43.276 -26.295 -19.388
 1350    HD3  ARG 174           HD1      ARG 174 -41.952 -25.139 -19.231
 1351    HE   ARG 174           HE       ARG 174 -43.590 -24.031 -21.124
 1352   HH11  ARG 174          HH21      ARG 174 -43.952 -25.236 -17.904
 1353   HH12  ARG 174          HH22      ARG 174 -45.228 -24.141 -17.486
 1354   HH21  ARG 174          HH11      ARG 174 -45.261 -22.585 -20.587
 1355   HH22  ARG 174          HH12      ARG 174 -45.969 -22.636 -19.008
 1356    H    ARG 175           HN       ARG 175 -44.361 -26.024 -25.176
 1357    HA   ARG 175           HA       ARG 175 -43.151 -23.835 -26.321
 1358    HB2  ARG 175           HB2      ARG 175 -45.321 -23.204 -27.103
 1359    HB3  ARG 175           HB1      ARG 175 -45.329 -24.961 -26.996
 1360    HG2  ARG 175           HG2      ARG 175 -46.245 -24.512 -24.551
 1361    HG3  ARG 175           HG1      ARG 175 -46.724 -22.963 -25.243
 1362    HD2  ARG 175           HD2      ARG 175 -47.551 -25.728 -26.138
 1363    HD3  ARG 175           HD1      ARG 175 -48.587 -24.440 -25.528
 1364    HE   ARG 175           HE       ARG 175 -47.113 -23.829 -27.967
 1365   HH11  ARG 175          HH21      ARG 175 -50.015 -24.997 -26.494
 1366   HH12  ARG 175          HH22      ARG 175 -51.009 -24.678 -27.877
 1367   HH21  ARG 175          HH11      ARG 175 -48.410 -23.408 -29.787
 1368   HH22  ARG 175          HH12      ARG 175 -50.102 -23.778 -29.739
 1369    H    ILE 176           HN       ILE 176 -42.832 -21.764 -25.831
 1370    HA   ILE 176           HA       ILE 176 -43.025 -20.931 -23.116
 1371    HB   ILE 176           HB       ILE 176 -42.611 -19.124 -25.504
 1372   HG12  ILE 176          HG12      ILE 176 -40.614 -20.902 -24.076
 1373   HG13  ILE 176          HG11      ILE 176 -41.140 -21.070 -25.749
 1374   HG21  ILE 176          HG21      ILE 176 -42.905 -18.179 -23.171
 1375   HG22  ILE 176          HG22      ILE 176 -41.362 -17.790 -23.930
 1376   HG23  ILE 176          HG23      ILE 176 -41.449 -19.056 -22.706
 1377   HD11  ILE 176          HD11      ILE 176 -39.143 -19.889 -25.988
 1378   HD12  ILE 176          HD12      ILE 176 -39.406 -18.941 -24.525
 1379   HD13  ILE 176          HD13      ILE 176 -40.334 -18.593 -25.982
 1380    H    VAL 177           HN       VAL 177 -44.559 -19.731 -22.094
 1381    HA   VAL 177           HA       VAL 177 -46.761 -18.578 -23.699
 1382    HB   VAL 177           HB       VAL 177 -48.385 -19.459 -22.069
 1383   HG11  VAL 177          HG11      VAL 177 -48.423 -21.708 -22.907
 1384   HG12  VAL 177          HG12      VAL 177 -46.677 -21.711 -23.155
 1385   HG13  VAL 177          HG13      VAL 177 -47.713 -20.715 -24.178
 1386   HG21  VAL 177          HG21      VAL 177 -47.631 -21.232 -20.488
 1387   HG22  VAL 177          HG22      VAL 177 -46.895 -19.669 -20.131
 1388   HG23  VAL 177          HG23      VAL 177 -45.962 -20.914 -20.962
 1389    H    GLU 178           HN       GLU 178 -47.979 -16.960 -22.555
 1390    HA   GLU 178           HA       GLU 178 -46.984 -15.949 -20.035
 1391    HB2  GLU 178           HB2      GLU 178 -45.383 -15.066 -21.791
 1392    HB3  GLU 178           HB1      GLU 178 -46.747 -14.182 -22.476
 1393    HG2  GLU 178           HG2      GLU 178 -45.983 -13.929 -19.562
 1394    HG3  GLU 178           HG1      GLU 178 -45.268 -12.913 -20.807
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1 -46.726   7.793 -22.733
    2    H2   GLY   1           HT2      GLY   1 -45.606   8.544 -21.704
    3    H3   GLY   1           HT3      GLY   1 -45.906   6.878 -21.565
    4    HA2  GLY   1           HA2      GLY   1 -45.169   7.251 -24.189
    5    HA3  GLY   1           HA1      GLY   1 -44.056   8.232 -23.236
    6    H    SER   2           HN       SER   2 -42.335   7.217 -22.423
    7    HA   SER   2           HA       SER   2 -40.863   5.495 -21.978
    8    HB2  SER   2           HB2      SER   2 -43.183   4.119 -20.653
    9    HB3  SER   2           HB1      SER   2 -41.497   4.165 -20.152
   10    HG   SER   2           HG       SER   2 -43.439   6.226 -20.073
   11    H    LYS   3           HN       LYS   3 -41.177   2.772 -21.680
   12    HA   LYS   3           HA       LYS   3 -41.965   1.943 -24.416
   13    HB2  LYS   3           HB2      LYS   3 -40.023   0.671 -22.474
   14    HB3  LYS   3           HB1      LYS   3 -40.389   0.085 -24.097
   15    HG2  LYS   3           HG2      LYS   3 -39.687   2.382 -24.949
   16    HG3  LYS   3           HG1      LYS   3 -39.083   2.705 -23.327
   17    HD2  LYS   3           HD2      LYS   3 -37.134   1.842 -24.196
   18    HD3  LYS   3           HD1      LYS   3 -37.879   0.312 -23.749
   19    HE2  LYS   3           HE2      LYS   3 -37.766   1.609 -26.478
   20    HE3  LYS   3           HE1      LYS   3 -37.180   0.016 -26.000
   21    HZ1  LYS   3           HZ1      LYS   3 -39.473  -0.647 -25.589
   22    HZ2  LYS   3           HZ2      LYS   3 -39.253  -0.160 -27.201
   23    HZ3  LYS   3           HZ3      LYS   3 -40.019   0.876 -26.093
   24    H    THR   4           HN       THR   4 -41.947   0.838 -21.021
   25    HA   THR   4           HA       THR   4 -43.225  -0.732 -19.935
   26    HB   THR   4           HB       THR   4 -45.636  -0.564 -20.368
   27    HG1  THR   4           HG1      THR   4 -46.241   0.898 -22.091
   28   HG21  THR   4          HG21      THR   4 -45.765   2.017 -20.255
   29   HG22  THR   4          HG22      THR   4 -44.004   1.968 -20.322
   30   HG23  THR   4          HG23      THR   4 -44.857   1.185 -18.994
   31    H    GLY   5           HN       GLY   5 -44.871  -2.617 -20.356
   32    HA2  GLY   5           HA2      GLY   5 -45.578  -4.420 -21.718
   33    HA3  GLY   5           HA1      GLY   5 -44.367  -3.973 -22.917
   34    H    THR   6           HN       THR   6 -42.140  -3.739 -21.193
   35    HA   THR   6           HA       THR   6 -41.832  -6.423 -20.001
   36    HB   THR   6           HB       THR   6 -39.602  -6.608 -21.116
   37    HG1  THR   6           HG1      THR   6 -38.940  -5.066 -22.389
   38   HG21  THR   6          HG21      THR   6 -41.699  -7.685 -22.000
   39   HG22  THR   6          HG22      THR   6 -40.485  -7.360 -23.237
   40   HG23  THR   6          HG23      THR   6 -41.889  -6.303 -23.079
   41    H    LYS   7           HN       LYS   7 -40.901  -6.329 -18.090
   42    HA   LYS   7           HA       LYS   7 -38.786  -4.480 -17.480
   43    HB2  LYS   7           HB2      LYS   7 -40.427  -2.851 -17.101
   44    HB3  LYS   7           HB1      LYS   7 -41.540  -4.014 -16.381
   45    HG2  LYS   7           HG2      LYS   7 -40.304  -4.145 -14.379
   46    HG3  LYS   7           HG1      LYS   7 -38.861  -3.432 -15.110
   47    HD2  LYS   7           HD2      LYS   7 -39.791  -1.266 -15.105
   48    HD3  LYS   7           HD1      LYS   7 -41.434  -1.866 -14.917
   49    HE2  LYS   7           HE2      LYS   7 -41.094  -2.418 -12.636
   50    HE3  LYS   7           HE1      LYS   7 -39.341  -2.327 -12.784
   51    HZ1  LYS   7           HZ1      LYS   7 -39.428   0.001 -12.992
   52    HZ2  LYS   7           HZ2      LYS   7 -40.467  -0.376 -11.700
   53    HZ3  LYS   7           HZ3      LYS   7 -41.109   0.006 -13.225
   54    H    ILE   8           HN       ILE   8 -37.754  -4.923 -15.495
   55    HA   ILE   8           HA       ILE   8 -38.731  -7.169 -13.919
   56    HB   ILE   8           HB       ILE   8 -37.338  -8.149 -15.745
   57   HG12  ILE   8          HG12      ILE   8 -35.869  -8.439 -13.127
   58   HG13  ILE   8          HG11      ILE   8 -37.513  -9.017 -13.271
   59   HG21  ILE   8          HG21      ILE   8 -34.884  -7.800 -15.548
   60   HG22  ILE   8          HG22      ILE   8 -35.168  -6.491 -14.438
   61   HG23  ILE   8          HG23      ILE   8 -35.742  -6.373 -16.099
   62   HD11  ILE   8          HD11      ILE   8 -36.963 -10.633 -14.874
   63   HD12  ILE   8          HD12      ILE   8 -35.557 -10.663 -13.814
   64   HD13  ILE   8          HD13      ILE   8 -35.483  -9.800 -15.350
   65    H    THR   9           HN       THR   9 -38.024  -7.254 -11.801
   66    HA   THR   9           HA       THR   9 -36.107  -5.193 -11.007
   67    HB   THR   9           HB       THR   9 -38.610  -5.850  -9.465
   68    HG1  THR   9           HG1      THR   9 -38.106  -4.025 -11.496
   69   HG21  THR   9          HG21      THR   9 -36.299  -4.648  -8.579
   70   HG22  THR   9          HG22      THR   9 -37.891  -4.339  -7.905
   71   HG23  THR   9          HG23      THR   9 -37.236  -3.256  -9.118
   72    H    PHE  10           HN       PHE  10 -34.718  -5.717  -9.429
   73    HA   PHE  10           HA       PHE  10 -34.876  -8.470  -8.338
   74    HB2  PHE  10           HB2      PHE  10 -32.406  -6.896  -9.055
   75    HB3  PHE  10           HB1      PHE  10 -32.451  -8.554  -8.465
   76    HD1  PHE  10           HD2      PHE  10 -33.474 -10.339  -9.913
   77    HD2  PHE  10           HD1      PHE  10 -32.814  -6.339 -11.317
   78    HE1  PHE  10           HE2      PHE  10 -33.733 -11.117 -12.254
   79    HE2  PHE  10           HE1      PHE  10 -33.063  -7.115 -13.654
   80    HZ   PHE  10           HZ       PHE  10 -33.530  -9.497 -14.124
   81    H    TYR  11           HN       TYR  11 -35.283  -8.378  -6.230
   82    HA   TYR  11           HA       TYR  11 -34.546  -6.024  -4.656
   83    HB2  TYR  11           HB2      TYR  11 -36.256  -8.427  -4.068
   84    HB3  TYR  11           HB1      TYR  11 -35.969  -7.122  -2.939
   85    HD1  TYR  11           HD1      TYR  11 -37.289  -7.880  -6.320
   86    HD2  TYR  11           HD2      TYR  11 -37.221  -5.103  -3.064
   87    HE1  TYR  11           HE1      TYR  11 -39.134  -6.620  -7.361
   88    HE2  TYR  11           HE2      TYR  11 -39.034  -3.803  -4.127
   89    HH   TYR  11           HH       TYR  11 -40.414  -3.653  -5.851
   90    H    GLU  12           HN       GLU  12 -33.071  -6.018  -3.077
   91    HA   GLU  12           HA       GLU  12 -30.993  -7.887  -3.054
   92    HB2  GLU  12           HB2      GLU  12 -31.605  -5.435  -1.754
   93    HB3  GLU  12           HB1      GLU  12 -31.105  -6.549  -0.498
   94    HG2  GLU  12           HG2      GLU  12 -29.483  -6.206  -3.019
   95    HG3  GLU  12           HG1      GLU  12 -29.279  -5.135  -1.657
   96    H    ASP  13           HN       ASP  13 -33.682  -7.479  -0.782
   97    HA   ASP  13           HA       ASP  13 -33.037 -10.126   0.352
   98    HB2  ASP  13           HB2      ASP  13 -34.618  -7.829   1.492
   99    HB3  ASP  13           HB1      ASP  13 -34.492  -9.407   2.245
  100    H    LYS  14           HN       LYS  14 -35.315 -10.882   1.415
  101    HA   LYS  14           HA       LYS  14 -36.855 -11.651  -0.910
  102    HB2  LYS  14           HB2      LYS  14 -37.037 -12.384   2.021
  103    HB3  LYS  14           HB1      LYS  14 -38.125 -13.005   0.791
  104    HG2  LYS  14           HG2      LYS  14 -36.537 -14.694   0.742
  105    HG3  LYS  14           HG1      LYS  14 -35.813 -13.618  -0.443
  106    HD2  LYS  14           HD2      LYS  14 -33.989 -13.972   0.941
  107    HD3  LYS  14           HD1      LYS  14 -34.672 -12.556   1.731
  108    HE2  LYS  14           HE2      LYS  14 -34.388 -14.006   3.542
  109    HE3  LYS  14           HE1      LYS  14 -36.061 -14.347   3.091
  110    HZ1  LYS  14           HZ1      LYS  14 -34.349 -16.273   3.383
  111    HZ2  LYS  14           HZ2      LYS  14 -33.906 -15.861   1.796
  112    HZ3  LYS  14           HZ3      LYS  14 -35.502 -16.330   2.140
  113    H    ASN  15           HN       ASN  15 -39.323 -11.886  -0.296
  114    HA   ASN  15           HA       ASN  15 -41.291 -10.744  -0.343
  115    HB2  ASN  15           HB2      ASN  15 -40.290  -9.132   1.991
  116    HB3  ASN  15           HB1      ASN  15 -41.895  -9.793   1.695
  117   HD21  ASN  15          HD21      ASN  15 -40.618 -12.434   0.860
  118   HD22  ASN  15          HD22      ASN  15 -40.196 -13.165   2.336
  119    H    PHE  16           HN       PHE  16 -38.870  -9.542  -1.666
  120    HA   PHE  16           HA       PHE  16 -38.488  -7.739  -2.989
  121    HB2  PHE  16           HB2      PHE  16 -41.033  -6.425  -2.101
  122    HB3  PHE  16           HB1      PHE  16 -40.269  -6.401  -3.684
  123    HD1  PHE  16           HD2      PHE  16 -40.004  -8.697  -4.885
  124    HD2  PHE  16           HD1      PHE  16 -42.823  -7.900  -1.747
  125    HE1  PHE  16           HE2      PHE  16 -41.385 -10.616  -5.633
  126    HE2  PHE  16           HE1      PHE  16 -44.198  -9.819  -2.490
  127    HZ   PHE  16           HZ       PHE  16 -43.479 -11.175  -4.430
  128    H    GLN  17           HN       GLN  17 -37.439  -7.773  -0.363
  129    HA   GLN  17           HA       GLN  17 -37.477  -4.904   0.400
  130    HB2  GLN  17           HB2      GLN  17 -36.969  -7.389   2.055
  131    HB3  GLN  17           HB1      GLN  17 -36.724  -5.742   2.641
  132    HG2  GLN  17           HG2      GLN  17 -39.062  -5.212   2.303
  133    HG3  GLN  17           HG1      GLN  17 -39.340  -6.770   1.522
  134   HE21  GLN  17          HE21      GLN  17 -38.647  -8.729   3.029
  135   HE22  GLN  17          HE22      GLN  17 -39.121  -8.592   4.658
  136    H    GLY  18           HN       GLY  18 -35.305  -4.848   1.999
  137    HA2  GLY  18           HA2      GLY  18 -33.010  -4.809   2.092
  138    HA3  GLY  18           HA1      GLY  18 -32.990  -6.077   0.874
  139    H    ARG  19           HN       ARG  19 -34.665  -4.384  -0.879
  140    HA   ARG  19           HA       ARG  19 -33.869  -1.945  -1.687
  141    HB2  ARG  19           HB2      ARG  19 -31.454  -3.222  -1.728
  142    HB3  ARG  19           HB1      ARG  19 -31.990  -3.589  -3.330
  143    HG2  ARG  19           HG2      ARG  19 -32.423  -1.077  -3.587
  144    HG3  ARG  19           HG1      ARG  19 -31.577  -0.870  -2.056
  145    HD2  ARG  19           HD2      ARG  19 -30.457  -2.267  -4.501
  146    HD3  ARG  19           HD1      ARG  19 -30.015  -0.646  -3.969
  147    HE   ARG  19           HE       ARG  19 -29.194  -3.168  -2.747
  148   HH11  ARG  19          HH21      ARG  19 -29.601   0.241  -2.454
  149   HH12  ARG  19          HH22      ARG  19 -28.391   0.429  -1.229
  150   HH21  ARG  19          HH11      ARG  19 -27.590  -2.945  -1.134
  151   HH22  ARG  19          HH12      ARG  19 -27.249  -1.376  -0.482
  152    H    ARG  20           HN       ARG  20 -33.352  -2.138  -4.465
  153    HA   ARG  20           HA       ARG  20 -34.819  -4.119  -5.774
  154    HB2  ARG  20           HB2      ARG  20 -36.822  -2.978  -6.364
  155    HB3  ARG  20           HB1      ARG  20 -36.685  -2.925  -4.614
  156    HG2  ARG  20           HG2      ARG  20 -36.986  -0.667  -4.829
  157    HG3  ARG  20           HG1      ARG  20 -35.300  -0.633  -5.340
  158    HD2  ARG  20           HD2      ARG  20 -36.071  -0.974  -7.706
  159    HD3  ARG  20           HD1      ARG  20 -37.731  -0.842  -7.138
  160    HE   ARG  20           HE       ARG  20 -35.814   1.334  -7.409
  161   HH11  ARG  20          HH21      ARG  20 -38.734   0.166  -5.977
  162   HH12  ARG  20          HH22      ARG  20 -39.392   1.742  -5.688
  163   HH21  ARG  20          HH11      ARG  20 -36.661   3.410  -7.029
  164   HH22  ARG  20          HH12      ARG  20 -38.215   3.581  -6.286
  165    H    TYR  21           HN       TYR  21 -34.757  -3.834  -8.067
  166    HA   TYR  21           HA       TYR  21 -33.298  -1.425  -9.009
  167    HB2  TYR  21           HB2      TYR  21 -31.705  -3.316  -8.869
  168    HB3  TYR  21           HB1      TYR  21 -32.765  -4.257  -9.918
  169    HD1  TYR  21           HD1      TYR  21 -31.162  -0.883  -9.784
  170    HD2  TYR  21           HD2      TYR  21 -32.323  -4.223 -12.223
  171    HE1  TYR  21           HE1      TYR  21 -30.111   0.191 -11.752
  172    HE2  TYR  21           HE2      TYR  21 -31.267  -3.147 -14.193
  173    HH   TYR  21           HH       TYR  21 -29.101  -1.064 -14.198
  174    H    ASP  22           HN       ASP  22 -34.197  -0.488 -10.771
  175    HA   ASP  22           HA       ASP  22 -36.386  -1.963 -12.140
  176    HB2  ASP  22           HB2      ASP  22 -37.424   0.243 -12.533
  177    HB3  ASP  22           HB1      ASP  22 -37.256  -0.109 -10.813
  178    H    CYS  23           HN       CYS  23 -36.096  -2.349 -14.255
  179    HA   CYS  23           HA       CYS  23 -34.852  -0.419 -15.983
  180    HB2  CYS  23           HB2      CYS  23 -32.887  -1.617 -14.945
  181    HB3  CYS  23           HB1      CYS  23 -33.489  -3.101 -15.684
  182    HG   CYS  23           HG       CYS  23 -31.841  -2.058 -17.403
  183    H    ASP  24           HN       ASP  24 -35.534  -0.697 -18.053
  184    HA   ASP  24           HA       ASP  24 -37.031  -3.166 -18.682
  185    HB2  ASP  24           HB2      ASP  24 -38.708  -1.857 -19.793
  186    HB3  ASP  24           HB1      ASP  24 -38.506  -1.201 -18.175
  187    H    CYS  25           HN       CYS  25 -34.245  -2.410 -19.307
  188    HA   CYS  25           HA       CYS  25 -34.398  -2.789 -22.214
  189    HB2  CYS  25           HB2      CYS  25 -34.106  -0.273 -21.514
  190    HB3  CYS  25           HB1      CYS  25 -32.447  -0.748 -21.176
  191    HG   CYS  25           HG       CYS  25 -32.249  -1.537 -23.697
  192    H    ASP  26           HN       ASP  26 -32.740  -3.994 -23.039
  193    HA   ASP  26           HA       ASP  26 -31.417  -5.870 -21.624
  194    HB2  ASP  26           HB2      ASP  26 -29.774  -5.996 -23.437
  195    HB3  ASP  26           HB1      ASP  26 -31.394  -5.742 -24.083
  196    H    CYS  27           HN       CYS  27 -29.210  -6.128 -20.885
  197    HA   CYS  27           HA       CYS  27 -27.609  -3.774 -20.383
  198    HB2  CYS  27           HB2      CYS  27 -29.315  -4.999 -18.258
  199    HB3  CYS  27           HB1      CYS  27 -27.698  -4.459 -17.803
  200    HG   CYS  27           HG       CYS  27 -29.216  -2.331 -19.376
  201    H    ALA  28           HN       ALA  28 -25.590  -4.354 -19.206
  202    HA   ALA  28           HA       ALA  28 -24.682  -7.012 -20.068
  203    HB1  ALA  28           HB1      ALA  28 -23.236  -4.524 -19.147
  204    HB2  ALA  28           HB2      ALA  28 -23.247  -5.231 -20.763
  205    HB3  ALA  28           HB3      ALA  28 -22.417  -6.058 -19.443
  206    H    ASP  29           HN       ASP  29 -24.358  -4.934 -17.180
  207    HA   ASP  29           HA       ASP  29 -24.817  -7.204 -15.418
  208    HB2  ASP  29           HB2      ASP  29 -22.407  -7.363 -15.907
  209    HB3  ASP  29           HB1      ASP  29 -22.196  -5.701 -15.358
  210    H    PHE  30           HN       PHE  30 -26.413  -6.280 -14.289
  211    HA   PHE  30           HA       PHE  30 -26.176  -3.508 -13.346
  212    HB2  PHE  30           HB2      PHE  30 -28.477  -3.489 -13.162
  213    HB3  PHE  30           HB1      PHE  30 -28.314  -4.755 -14.380
  214    HD1  PHE  30           HD2      PHE  30 -28.104  -7.190 -13.522
  215    HD2  PHE  30           HD1      PHE  30 -29.554  -3.943 -11.125
  216    HE1  PHE  30           HE2      PHE  30 -29.169  -8.810 -11.972
  217    HE2  PHE  30           HE1      PHE  30 -30.622  -5.548  -9.576
  218    HZ   PHE  30           HZ       PHE  30 -30.428  -7.989  -9.997
  219    H    HIS  31           HN       HIS  31 -24.864  -6.196 -12.338
  220    HA   HIS  31           HA       HIS  31 -25.729  -6.668  -9.721
  221    HB2  HIS  31           HB2      HIS  31 -24.167  -8.166 -10.835
  222    HB3  HIS  31           HB1      HIS  31 -22.939  -6.894 -10.862
  223    HD2  HIS  31           HD2      HIS  31 -21.543  -6.561  -8.454
  224    HE1  HIS  31           HE1      HIS  31 -23.718  -9.385  -6.195
  225    HE2  HIS  31           HE2      HIS  31 -21.693  -7.854  -6.191
  226    H    THR  32           HN       THR  32 -23.905  -4.085 -11.091
  227    HA   THR  32           HA       THR  32 -22.654  -3.144  -8.730
  228    HB   THR  32           HB       THR  32 -22.492  -0.976  -9.928
  229    HG1  THR  32           HG1      THR  32 -24.259  -2.351 -11.640
  230   HG21  THR  32          HG21      THR  32 -20.883  -2.813 -10.362
  231   HG22  THR  32          HG22      THR  32 -21.154  -1.827 -11.800
  232   HG23  THR  32          HG23      THR  32 -21.927  -3.405 -11.653
  233    H    TYR  33           HN       TYR  33 -25.880  -2.749 -10.022
  234    HA   TYR  33           HA       TYR  33 -26.637  -0.692  -8.136
  235    HB2  TYR  33           HB2      TYR  33 -28.180  -2.310 -10.161
  236    HB3  TYR  33           HB1      TYR  33 -28.927  -1.094  -9.126
  237    HD1  TYR  33           HD2      TYR  33 -27.962   1.299  -9.177
  238    HD2  TYR  33           HD1      TYR  33 -27.056  -1.674 -12.147
  239    HE1  TYR  33           HE2      TYR  33 -27.219   3.080 -10.735
  240    HE2  TYR  33           HE1      TYR  33 -26.313   0.109 -13.702
  241    HH   TYR  33           HH       TYR  33 -26.757   2.571 -14.025
  242    H    LEU  34           HN       LEU  34 -26.504  -4.115  -8.207
  243    HA   LEU  34           HA       LEU  34 -27.894  -4.186  -5.628
  244    HB2  LEU  34           HB2      LEU  34 -29.402  -4.819  -7.649
  245    HB3  LEU  34           HB1      LEU  34 -28.456  -6.295  -7.685
  246    HG   LEU  34           HG       LEU  34 -29.013  -6.608  -5.237
  247   HD11  LEU  34          HD11      LEU  34 -31.242  -5.332  -4.653
  248   HD12  LEU  34          HD12      LEU  34 -30.691  -4.175  -5.855
  249   HD13  LEU  34          HD13      LEU  34 -29.717  -4.487  -4.430
  250   HD21  LEU  34          HD21      LEU  34 -30.222  -7.877  -6.909
  251   HD22  LEU  34          HD22      LEU  34 -31.237  -6.484  -7.259
  252   HD23  LEU  34          HD23      LEU  34 -31.387  -7.301  -5.717
  253    H    SER  35           HN       SER  35 -26.993  -5.534  -4.167
  254    HA   SER  35           HA       SER  35 -24.509  -6.881  -4.979
  255    HB2  SER  35           HB2      SER  35 -25.641  -5.965  -2.352
  256    HB3  SER  35           HB1      SER  35 -24.300  -7.107  -2.415
  257    HG   SER  35           HG       SER  35 -24.398  -4.419  -3.024
  258    H    ARG  36           HN       ARG  36 -27.755  -7.649  -4.410
  259    HA   ARG  36           HA       ARG  36 -27.161 -10.484  -4.516
  260    HB2  ARG  36           HB2      ARG  36 -27.119  -9.743  -2.025
  261    HB3  ARG  36           HB1      ARG  36 -28.862  -9.569  -2.203
  262    HG2  ARG  36           HG2      ARG  36 -28.899 -11.946  -3.100
  263    HG3  ARG  36           HG1      ARG  36 -27.219 -12.076  -2.579
  264    HD2  ARG  36           HD2      ARG  36 -29.545 -11.350  -0.780
  265    HD3  ARG  36           HD1      ARG  36 -28.785 -12.934  -0.859
  266    HE   ARG  36           HE       ARG  36 -26.789 -11.020  -0.337
  267   HH11  ARG  36          HH21      ARG  36 -29.613 -12.418   1.087
  268   HH12  ARG  36          HH22      ARG  36 -29.057 -12.226   2.716
  269   HH21  ARG  36          HH11      ARG  36 -26.047 -10.770   1.798
  270   HH22  ARG  36          HH12      ARG  36 -27.037 -11.294   3.120
  271    H    CYS  37           HN       CYS  37 -28.935 -11.685  -5.274
  272    HA   CYS  37           HA       CYS  37 -31.241 -10.050  -6.154
  273    HB2  CYS  37           HB2      CYS  37 -30.583 -12.707  -7.365
  274    HB3  CYS  37           HB1      CYS  37 -31.257 -11.262  -8.120
  275    HG   CYS  37           HG       CYS  37 -28.236 -11.542  -7.361
  276    H    ASN  38           HN       ASN  38 -32.775 -10.321  -4.650
  277    HA   ASN  38           HA       ASN  38 -33.716 -13.060  -4.094
  278    HB2  ASN  38           HB2      ASN  38 -33.428 -10.740  -2.189
  279    HB3  ASN  38           HB1      ASN  38 -34.417 -12.154  -1.840
  280   HD21  ASN  38          HD21      ASN  38 -32.176 -11.592  -0.195
  281   HD22  ASN  38          HD22      ASN  38 -30.980 -12.768  -0.479
  282    H    SER  39           HN       SER  39 -35.986 -13.105  -3.655
  283    HA   SER  39           HA       SER  39 -38.050 -12.782  -4.618
  284    HB2  SER  39           HB2      SER  39 -39.050 -10.598  -3.703
  285    HB3  SER  39           HB1      SER  39 -38.458 -11.777  -2.560
  286    HG   SER  39           HG       SER  39 -37.756  -9.331  -2.631
  287    H    ILE  40           HN       ILE  40 -38.915 -12.307  -6.477
  288    HA   ILE  40           HA       ILE  40 -38.120  -9.832  -7.873
  289    HB   ILE  40           HB       ILE  40 -37.760 -12.657  -8.857
  290   HG12  ILE  40          HG12      ILE  40 -35.882 -10.325  -9.311
  291   HG13  ILE  40          HG11      ILE  40 -35.891 -11.129  -7.744
  292   HG21  ILE  40          HG21      ILE  40 -37.235 -11.496 -11.114
  293   HG22  ILE  40          HG22      ILE  40 -38.185 -10.151 -10.488
  294   HG23  ILE  40          HG23      ILE  40 -38.927 -11.740 -10.687
  295   HD11  ILE  40          HD11      ILE  40 -34.227 -12.284  -8.969
  296   HD12  ILE  40          HD12      ILE  40 -35.184 -12.278 -10.446
  297   HD13  ILE  40          HD13      ILE  40 -35.629 -13.338  -9.111
  298    H    LYS  41           HN       LYS  41 -39.593  -8.994  -9.228
  299    HA   LYS  41           HA       LYS  41 -41.944 -10.512 -10.027
  300    HB2  LYS  41           HB2      LYS  41 -43.378  -8.525  -9.082
  301    HB3  LYS  41           HB1      LYS  41 -42.928  -9.870  -8.038
  302    HG2  LYS  41           HG2      LYS  41 -41.266  -8.652  -6.943
  303    HG3  LYS  41           HG1      LYS  41 -41.135  -7.466  -8.237
  304    HD2  LYS  41           HD2      LYS  41 -42.346  -6.694  -6.116
  305    HD3  LYS  41           HD1      LYS  41 -43.185  -6.421  -7.638
  306    HE2  LYS  41           HE2      LYS  41 -44.726  -8.130  -7.244
  307    HE3  LYS  41           HE1      LYS  41 -43.674  -8.962  -6.107
  308    HZ1  LYS  41           HZ1      LYS  41 -44.791  -6.279  -5.556
  309    HZ2  LYS  41           HZ2      LYS  41 -44.088  -7.369  -4.456
  310    HZ3  LYS  41           HZ3      LYS  41 -45.612  -7.702  -5.132
  311    H    VAL  42           HN       VAL  42 -41.564 -10.137 -12.161
  312    HA   VAL  42           HA       VAL  42 -40.709  -7.655 -13.150
  313    HB   VAL  42           HB       VAL  42 -41.413  -8.690 -15.364
  314   HG11  VAL  42          HG11      VAL  42 -39.164  -9.127 -14.898
  315   HG12  VAL  42          HG12      VAL  42 -39.802 -10.746 -15.019
  316   HG13  VAL  42          HG13      VAL  42 -39.532 -10.023 -13.436
  317   HG21  VAL  42          HG21      VAL  42 -42.126 -10.962 -13.524
  318   HG22  VAL  42          HG22      VAL  42 -42.011 -11.058 -15.268
  319   HG23  VAL  42          HG23      VAL  42 -43.237 -10.020 -14.518
  320    H    GLU  43           HN       GLU  43 -41.778  -6.016 -14.087
  321    HA   GLU  43           HA       GLU  43 -44.720  -5.980 -13.753
  322    HB2  GLU  43           HB2      GLU  43 -42.701  -3.725 -13.738
  323    HB3  GLU  43           HB1      GLU  43 -44.445  -3.513 -13.670
  324    HG2  GLU  43           HG2      GLU  43 -44.507  -4.917 -11.618
  325    HG3  GLU  43           HG1      GLU  43 -42.754  -5.023 -11.667
  326    H    GLY  44           HN       GLY  44 -44.011  -7.238 -15.997
  327    HA2  GLY  44           HA2      GLY  44 -45.025  -5.482 -18.037
  328    HA3  GLY  44           HA1      GLY  44 -43.327  -5.876 -18.279
  329    H    GLY  45           HN       GLY  45 -42.730  -7.950 -18.877
  330    HA2  GLY  45           HA2      GLY  45 -44.846  -9.966 -19.255
  331    HA3  GLY  45           HA1      GLY  45 -43.922  -9.429 -20.656
  332    H    THR  46           HN       THR  46 -42.743 -11.200 -21.141
  333    HA   THR  46           HA       THR  46 -41.478 -12.817 -19.123
  334    HB   THR  46           HB       THR  46 -41.112 -12.845 -22.126
  335    HG1  THR  46           HG1      THR  46 -43.242 -13.254 -21.523
  336   HG21  THR  46          HG21      THR  46 -40.320 -14.724 -19.901
  337   HG22  THR  46          HG22      THR  46 -39.295 -14.026 -21.154
  338   HG23  THR  46          HG23      THR  46 -40.474 -15.266 -21.571
  339    H    TRP  47           HN       TRP  47 -39.137 -13.271 -19.168
  340    HA   TRP  47           HA       TRP  47 -37.386 -11.166 -20.160
  341    HB2  TRP  47           HB2      TRP  47 -38.180 -11.480 -17.302
  342    HB3  TRP  47           HB1      TRP  47 -36.479 -11.160 -17.609
  343    HD1  TRP  47           HD1      TRP  47 -39.708  -9.495 -17.234
  344    HE1  TRP  47           HE1      TRP  47 -39.495  -6.998 -17.866
  345    HE3  TRP  47           HE3      TRP  47 -35.210  -9.571 -19.636
  346    HZ2  TRP  47           HZ2      TRP  47 -37.695  -5.299 -19.310
  347    HZ3  TRP  47           HZ3      TRP  47 -34.277  -7.501 -20.634
  348    HH2  TRP  47           HH2      TRP  47 -35.516  -5.369 -20.471
  349    H    ALA  48           HN       ALA  48 -35.186 -11.685 -20.001
  350    HA   ALA  48           HA       ALA  48 -34.600 -14.552 -19.501
  351    HB1  ALA  48           HB1      ALA  48 -33.652 -14.622 -21.557
  352    HB2  ALA  48           HB2      ALA  48 -32.633 -13.234 -21.178
  353    HB3  ALA  48           HB3      ALA  48 -34.241 -12.991 -21.838
  354    H    VAL  49           HN       VAL  49 -33.388 -14.832 -17.749
  355    HA   VAL  49           HA       VAL  49 -31.574 -12.637 -16.899
  356    HB   VAL  49           HB       VAL  49 -31.858 -13.756 -14.603
  357   HG11  VAL  49          HG11      VAL  49 -33.877 -12.501 -14.134
  358   HG12  VAL  49          HG12      VAL  49 -34.353 -12.555 -15.830
  359   HG13  VAL  49          HG13      VAL  49 -32.957 -11.601 -15.340
  360   HG21  VAL  49          HG21      VAL  49 -32.879 -15.833 -15.608
  361   HG22  VAL  49          HG22      VAL  49 -34.328 -14.886 -15.917
  362   HG23  VAL  49          HG23      VAL  49 -33.782 -15.148 -14.261
  363    H    TYR  50           HN       TYR  50 -29.486 -13.072 -16.745
  364    HA   TYR  50           HA       TYR  50 -28.578 -15.859 -17.131
  365    HB2  TYR  50           HB2      TYR  50 -27.215 -13.192 -17.568
  366    HB3  TYR  50           HB1      TYR  50 -26.378 -14.742 -17.669
  367    HD1  TYR  50           HD2      TYR  50 -26.920 -16.361 -19.431
  368    HD2  TYR  50           HD1      TYR  50 -28.830 -12.519 -19.254
  369    HE1  TYR  50           HE2      TYR  50 -27.732 -16.659 -21.754
  370    HE2  TYR  50           HE1      TYR  50 -29.643 -12.815 -21.578
  371    HH   TYR  50           HH       TYR  50 -30.018 -14.439 -23.198
  372    H    GLU  51           HN       GLU  51 -28.229 -16.845 -15.254
  373    HA   GLU  51           HA       GLU  51 -27.987 -15.960 -12.738
  374    HB2  GLU  51           HB2      GLU  51 -27.851 -18.343 -13.465
  375    HB3  GLU  51           HB1      GLU  51 -26.156 -18.078 -13.874
  376    HG2  GLU  51           HG2      GLU  51 -25.703 -17.406 -11.532
  377    HG3  GLU  51           HG1      GLU  51 -27.390 -17.711 -11.131
  378    H    ARG  52           HN       ARG  52 -25.437 -15.845 -15.165
  379    HA   ARG  52           HA       ARG  52 -23.754 -14.323 -13.271
  380    HB2  ARG  52           HB2      ARG  52 -22.906 -15.992 -15.649
  381    HB3  ARG  52           HB1      ARG  52 -21.822 -15.072 -14.625
  382    HG2  ARG  52           HG2      ARG  52 -22.479 -16.383 -12.675
  383    HG3  ARG  52           HG1      ARG  52 -23.650 -17.276 -13.649
  384    HD2  ARG  52           HD2      ARG  52 -21.623 -17.883 -15.151
  385    HD3  ARG  52           HD1      ARG  52 -20.640 -17.358 -13.786
  386    HE   ARG  52           HE       ARG  52 -22.667 -19.213 -12.976
  387   HH11  ARG  52          HH21      ARG  52 -19.590 -18.876 -14.521
  388   HH12  ARG  52          HH22      ARG  52 -19.047 -20.464 -14.095
  389   HH21  ARG  52          HH11      ARG  52 -21.965 -21.295 -12.414
  390   HH22  ARG  52          HH12      ARG  52 -20.393 -21.836 -12.900
  391    HA   PRO  53           HA       PRO  53 -24.145 -10.851 -16.017
  392    HB2  PRO  53           HB2      PRO  53 -21.781  -9.557 -15.511
  393    HB3  PRO  53           HB1      PRO  53 -23.124  -9.560 -14.368
  394    HG2  PRO  53           HG2      PRO  53 -20.677 -11.251 -14.386
  395    HG3  PRO  53           HG1      PRO  53 -21.476 -10.443 -13.025
  396    HD2  PRO  53           HD2      PRO  53 -21.810 -13.089 -13.503
  397    HD3  PRO  53           HD1      PRO  53 -23.123 -12.092 -12.831
  398    H    ASN  54           HN       ASN  54 -23.181  -9.859 -17.893
  399    HA   ASN  54           HA       ASN  54 -21.879  -9.762 -19.784
  400    HB2  ASN  54           HB2      ASN  54 -20.422 -12.280 -19.030
  401    HB3  ASN  54           HB1      ASN  54 -19.869 -10.922 -19.995
  402   HD21  ASN  54          HD21      ASN  54 -19.717 -12.258 -16.886
  403   HD22  ASN  54          HD22      ASN  54 -19.181 -10.876 -16.058
  404    H    PHE  55           HN       PHE  55 -23.925 -12.198 -18.778
  405    HA   PHE  55           HA       PHE  55 -25.455 -13.372 -20.037
  406    HB2  PHE  55           HB2      PHE  55 -23.741 -13.054 -22.497
  407    HB3  PHE  55           HB1      PHE  55 -25.447 -13.424 -22.391
  408    HD1  PHE  55           HD2      PHE  55 -26.746 -11.624 -20.764
  409    HD2  PHE  55           HD1      PHE  55 -23.303 -10.835 -23.210
  410    HE1  PHE  55           HE2      PHE  55 -27.337  -9.224 -20.813
  411    HE2  PHE  55           HE1      PHE  55 -23.902  -8.422 -23.262
  412    HZ   PHE  55           HZ       PHE  55 -25.926  -7.624 -22.064
  413    H    ALA  56           HN       ALA  56 -23.967 -14.711 -18.428
  414    HA   ALA  56           HA       ALA  56 -23.347 -17.165 -19.911
  415    HB1  ALA  56           HB1      ALA  56 -21.212 -15.803 -19.628
  416    HB2  ALA  56           HB2      ALA  56 -21.174 -17.453 -19.006
  417    HB3  ALA  56           HB3      ALA  56 -21.372 -16.093 -17.896
  418    H    GLY  57           HN       GLY  57 -22.727 -18.947 -18.187
  419    HA2  GLY  57           HA2      GLY  57 -23.182 -20.053 -16.197
  420    HA3  GLY  57           HA1      GLY  57 -23.933 -18.586 -15.580
  421    H    TYR  58           HN       TYR  58 -25.544 -20.103 -14.756
  422    HA   TYR  58           HA       TYR  58 -27.212 -21.639 -16.441
  423    HB2  TYR  58           HB2      TYR  58 -27.455 -20.529 -13.660
  424    HB3  TYR  58           HB1      TYR  58 -28.868 -21.251 -14.420
  425    HD1  TYR  58           HD1      TYR  58 -25.202 -21.971 -14.192
  426    HD2  TYR  58           HD2      TYR  58 -29.198 -23.490 -13.855
  427    HE1  TYR  58           HE1      TYR  58 -24.301 -24.215 -13.633
  428    HE2  TYR  58           HE2      TYR  58 -28.305 -25.738 -13.300
  429    HH   TYR  58           HH       TYR  58 -25.690 -26.874 -13.942
  430    H    MET  59           HN       MET  59 -29.001 -21.152 -17.580
  431    HA   MET  59           HA       MET  59 -29.814 -18.302 -17.705
  432    HB2  MET  59           HB2      MET  59 -28.866 -19.036 -19.806
  433    HB3  MET  59           HB1      MET  59 -29.872 -20.473 -19.811
  434    HG2  MET  59           HG2      MET  59 -30.779 -18.733 -21.309
  435    HG3  MET  59           HG1      MET  59 -31.900 -19.075 -20.003
  436    HE1  MET  59           HE1      MET  59 -32.305 -16.518 -21.616
  437    HE2  MET  59           HE2      MET  59 -30.609 -16.538 -22.090
  438    HE3  MET  59           HE3      MET  59 -31.272 -15.127 -21.270
  439    H    TYR  60           HN       TYR  60 -31.825 -17.801 -17.167
  440    HA   TYR  60           HA       TYR  60 -33.917 -19.888 -17.180
  441    HB2  TYR  60           HB2      TYR  60 -32.928 -19.505 -14.843
  442    HB3  TYR  60           HB1      TYR  60 -33.635 -17.900 -14.923
  443    HD1  TYR  60           HD2      TYR  60 -36.134 -17.677 -15.369
  444    HD2  TYR  60           HD1      TYR  60 -34.258 -21.398 -14.329
  445    HE1  TYR  60           HE2      TYR  60 -38.338 -18.617 -14.728
  446    HE2  TYR  60           HE1      TYR  60 -36.462 -22.331 -13.689
  447    HH   TYR  60           HH       TYR  60 -38.838 -21.016 -12.856
  448    H    ILE  61           HN       ILE  61 -35.896 -19.160 -17.833
  449    HA   ILE  61           HA       ILE  61 -36.040 -16.344 -18.728
  450    HB   ILE  61           HB       ILE  61 -37.636 -18.791 -19.512
  451   HG12  ILE  61          HG12      ILE  61 -36.519 -18.251 -21.746
  452   HG13  ILE  61          HG11      ILE  61 -35.488 -17.130 -20.861
  453   HG21  ILE  61          HG21      ILE  61 -37.871 -15.872 -20.265
  454   HG22  ILE  61          HG22      ILE  61 -39.140 -16.957 -19.700
  455   HG23  ILE  61          HG23      ILE  61 -38.471 -17.153 -21.320
  456   HD11  ILE  61          HD11      ILE  61 -34.761 -19.672 -21.285
  457   HD12  ILE  61          HD12      ILE  61 -35.684 -19.934 -19.811
  458   HD13  ILE  61          HD13      ILE  61 -34.316 -18.823 -19.811
  459    H    LEU  62           HN       LEU  62 -36.654 -15.386 -16.748
  460    HA   LEU  62           HA       LEU  62 -38.750 -16.394 -15.162
  461    HB2  LEU  62           HB2      LEU  62 -36.886 -14.220 -15.065
  462    HB3  LEU  62           HB1      LEU  62 -38.482 -13.606 -14.664
  463    HG   LEU  62           HG       LEU  62 -37.410 -16.134 -13.365
  464   HD11  LEU  62          HD11      LEU  62 -35.719 -14.524 -12.866
  465   HD12  LEU  62          HD12      LEU  62 -36.768 -14.595 -11.450
  466   HD13  LEU  62          HD13      LEU  62 -36.910 -13.255 -12.586
  467   HD21  LEU  62          HD21      LEU  62 -39.892 -15.252 -13.286
  468   HD22  LEU  62          HD22      LEU  62 -39.250 -14.079 -12.140
  469   HD23  LEU  62          HD23      LEU  62 -39.119 -15.807 -11.803
  470    HA   PRO  63           HA       PRO  63 -41.872 -14.749 -17.974
  471    HB2  PRO  63           HB2      PRO  63 -43.958 -16.291 -17.232
  472    HB3  PRO  63           HB1      PRO  63 -42.609 -16.927 -18.196
  473    HG2  PRO  63           HG2      PRO  63 -43.192 -17.274 -15.297
  474    HG3  PRO  63           HG1      PRO  63 -42.480 -18.412 -16.452
  475    HD2  PRO  63           HD2      PRO  63 -41.022 -16.841 -14.604
  476    HD3  PRO  63           HD1      PRO  63 -40.352 -17.678 -16.017
  477    H    GLN  64           HN       GLN  64 -43.881 -13.547 -17.801
  478    HA   GLN  64           HA       GLN  64 -43.994 -11.646 -15.844
  479    HB2  GLN  64           HB2      GLN  64 -45.320 -11.913 -18.087
  480    HB3  GLN  64           HB1      GLN  64 -46.562 -12.591 -17.038
  481    HG2  GLN  64           HG2      GLN  64 -45.259  -9.864 -16.746
  482    HG3  GLN  64           HG1      GLN  64 -46.916 -10.180 -17.265
  483   HE21  GLN  64          HE21      GLN  64 -45.016  -9.496 -14.527
  484   HE22  GLN  64          HE22      GLN  64 -46.136  -9.968 -13.343
  485    H    GLY  65           HN       GLY  65 -44.399 -11.704 -13.716
  486    HA2  GLY  65           HA2      GLY  65 -46.544 -12.783 -12.416
  487    HA3  GLY  65           HA1      GLY  65 -45.380 -14.097 -12.476
  488    H    GLU  66           HN       GLU  66 -45.782 -13.631 -10.048
  489    HA   GLU  66           HA       GLU  66 -43.848 -11.618  -9.078
  490    HB2  GLU  66           HB2      GLU  66 -46.255 -12.860  -7.737
  491    HB3  GLU  66           HB1      GLU  66 -45.074 -11.850  -6.901
  492    HG2  GLU  66           HG2      GLU  66 -45.546  -9.989  -8.398
  493    HG3  GLU  66           HG1      GLU  66 -46.632 -10.992  -9.346
  494    H    TYR  67           HN       TYR  67 -42.565 -12.221  -7.244
  495    HA   TYR  67           HA       TYR  67 -42.271 -15.034  -6.623
  496    HB2  TYR  67           HB2      TYR  67 -39.911 -13.578  -7.777
  497    HB3  TYR  67           HB1      TYR  67 -40.002 -15.237  -7.308
  498    HD1  TYR  67           HD1      TYR  67 -41.238 -12.790  -9.850
  499    HD2  TYR  67           HD2      TYR  67 -41.022 -16.922  -8.708
  500    HE1  TYR  67           HE1      TYR  67 -42.068 -13.449 -12.073
  501    HE2  TYR  67           HE2      TYR  67 -41.838 -17.576 -10.939
  502    HH   TYR  67           HH       TYR  67 -43.337 -16.296 -12.787
  503    HA   PRO  68           HA       PRO  68 -41.707 -12.211  -3.027
  504    HB2  PRO  68           HB2      PRO  68 -42.548 -14.689  -1.623
  505    HB3  PRO  68           HB1      PRO  68 -43.146 -13.032  -1.442
  506    HG2  PRO  68           HG2      PRO  68 -44.585 -14.903  -2.694
  507    HG3  PRO  68           HG1      PRO  68 -44.590 -13.211  -3.230
  508    HD2  PRO  68           HD2      PRO  68 -43.176 -15.566  -4.449
  509    HD3  PRO  68           HD1      PRO  68 -43.945 -14.169  -5.243
  510    H    GLU  69           HN       GLU  69 -40.278 -15.192  -3.990
  511    HA   GLU  69           HA       GLU  69 -37.924 -14.538  -2.407
  512    HB2  GLU  69           HB2      GLU  69 -39.420 -17.156  -2.152
  513    HB3  GLU  69           HB1      GLU  69 -37.762 -16.913  -1.597
  514    HG2  GLU  69           HG2      GLU  69 -38.588 -15.029  -0.177
  515    HG3  GLU  69           HG1      GLU  69 -40.225 -15.420  -0.651
  516    H    TYR  70           HN       TYR  70 -36.055 -15.889  -3.100
  517    HA   TYR  70           HA       TYR  70 -35.948 -16.061  -5.933
  518    HB2  TYR  70           HB2      TYR  70 -33.728 -17.221  -5.471
  519    HB3  TYR  70           HB1      TYR  70 -33.909 -15.613  -4.771
  520    HD1  TYR  70           HD2      TYR  70 -34.238 -15.298  -2.393
  521    HD2  TYR  70           HD1      TYR  70 -33.763 -19.221  -4.066
  522    HE1  TYR  70           HE2      TYR  70 -33.864 -16.214  -0.124
  523    HE2  TYR  70           HE1      TYR  70 -33.394 -20.144  -1.792
  524    HH   TYR  70           HH       TYR  70 -32.972 -18.085   0.985
  525    H    GLN  71           HN       GLN  71 -35.908 -18.628  -3.435
  526    HA   GLN  71           HA       GLN  71 -35.809 -20.897  -4.895
  527    HB2  GLN  71           HB2      GLN  71 -37.549 -21.826  -3.197
  528    HB3  GLN  71           HB1      GLN  71 -35.982 -21.250  -2.615
  529    HG2  GLN  71           HG2      GLN  71 -36.928 -19.105  -2.030
  530    HG3  GLN  71           HG1      GLN  71 -38.476 -19.540  -2.748
  531   HE21  GLN  71          HE21      GLN  71 -36.407 -21.655  -0.725
  532   HE22  GLN  71          HE22      GLN  71 -37.544 -21.813   0.534
  533    H    ARG  72           HN       ARG  72 -38.185 -18.559  -5.224
  534    HA   ARG  72           HA       ARG  72 -40.286 -20.250  -6.151
  535    HB2  ARG  72           HB2      ARG  72 -40.291 -17.817  -5.219
  536    HB3  ARG  72           HB1      ARG  72 -39.946 -17.380  -6.863
  537    HG2  ARG  72           HG2      ARG  72 -42.336 -17.337  -6.659
  538    HG3  ARG  72           HG1      ARG  72 -41.935 -18.788  -7.568
  539    HD2  ARG  72           HD2      ARG  72 -42.877 -20.095  -5.972
  540    HD3  ARG  72           HD1      ARG  72 -41.885 -19.376  -4.715
  541    HE   ARG  72           HE       ARG  72 -43.621 -17.895  -4.214
  542   HH11  ARG  72          HH21      ARG  72 -44.260 -19.752  -7.064
  543   HH12  ARG  72          HH22      ARG  72 -45.942 -19.344  -7.120
  544   HH21  ARG  72          HH11      ARG  72 -45.817 -17.352  -4.281
  545   HH22  ARG  72          HH12      ARG  72 -46.824 -17.981  -5.541
  546    H    TRP  73           HN       TRP  73 -37.307 -19.580  -7.461
  547    HA   TRP  73           HA       TRP  73 -38.319 -19.849 -10.259
  548    HB2  TRP  73           HB2      TRP  73 -36.274 -18.743 -10.993
  549    HB3  TRP  73           HB1      TRP  73 -37.204 -17.694  -9.924
  550    HD1  TRP  73           HD1      TRP  73 -35.522 -20.256  -7.881
  551    HE1  TRP  73           HE1      TRP  73 -33.465 -19.409  -6.783
  552    HE3  TRP  73           HE3      TRP  73 -34.988 -15.950 -10.512
  553    HZ2  TRP  73           HZ2      TRP  73 -31.734 -17.168  -6.992
  554    HZ3  TRP  73           HZ3      TRP  73 -33.087 -14.446 -10.011
  555    HH2  TRP  73           HH2      TRP  73 -31.461 -15.030  -8.244
  556    H    MET  74           HN       MET  74 -37.576 -21.858  -8.142
  557    HA   MET  74           HA       MET  74 -36.837 -24.031  -8.342
  558    HB2  MET  74           HB2      MET  74 -35.061 -23.080 -10.607
  559    HB3  MET  74           HB1      MET  74 -35.213 -24.720 -10.058
  560    HG2  MET  74           HG2      MET  74 -37.582 -23.096 -10.984
  561    HG3  MET  74           HG1      MET  74 -36.628 -24.117 -12.065
  562    HE1  MET  74           HE1      MET  74 -39.016 -24.970 -12.510
  563    HE2  MET  74           HE2      MET  74 -39.856 -24.292 -11.119
  564    HE3  MET  74           HE3      MET  74 -39.954 -26.020 -11.439
  565    H    GLY  75           HN       GLY  75 -35.722 -21.704  -6.836
  566    HA2  GLY  75           HA2      GLY  75 -33.783 -21.057  -5.659
  567    HA3  GLY  75           HA1      GLY  75 -34.020 -22.701  -5.068
  568    H    LEU  76           HN       LEU  76 -32.764 -21.251  -8.096
  569    HA   LEU  76           HA       LEU  76 -30.595 -23.196  -8.137
  570    HB2  LEU  76           HB2      LEU  76 -31.151 -20.853  -9.966
  571    HB3  LEU  76           HB1      LEU  76 -30.092 -22.230 -10.293
  572    HG   LEU  76           HG       LEU  76 -33.063 -22.451  -9.790
  573   HD11  LEU  76          HD11      LEU  76 -33.281 -22.812 -12.204
  574   HD12  LEU  76          HD12      LEU  76 -31.543 -22.601 -12.409
  575   HD13  LEU  76          HD13      LEU  76 -32.543 -21.241 -11.899
  576   HD21  LEU  76          HD21      LEU  76 -32.079 -24.541  -9.257
  577   HD22  LEU  76          HD22      LEU  76 -30.903 -24.411 -10.565
  578   HD23  LEU  76          HD23      LEU  76 -32.597 -24.730 -10.930
  579    H    ASN  77           HN       ASN  77 -31.026 -20.724  -6.251
  580    HA   ASN  77           HA       ASN  77 -29.437 -19.670  -4.913
  581    HB2  ASN  77           HB2      ASN  77 -27.709 -21.182  -6.144
  582    HB3  ASN  77           HB1      ASN  77 -27.414 -19.750  -7.136
  583   HD21  ASN  77          HD21      ASN  77 -25.350 -19.221  -6.350
  584   HD22  ASN  77          HD22      ASN  77 -25.056 -18.770  -4.733
  585    H    ASP  78           HN       ASP  78 -29.291 -17.466  -4.658
  586    HA   ASP  78           HA       ASP  78 -30.643 -15.662  -6.151
  587    HB2  ASP  78           HB2      ASP  78 -29.152 -13.925  -5.186
  588    HB3  ASP  78           HB1      ASP  78 -29.761 -15.087  -4.010
  589    H    ARG  79           HN       ARG  79 -27.284 -14.875  -6.292
  590    HA   ARG  79           HA       ARG  79 -26.163 -13.879  -8.091
  591    HB2  ARG  79           HB2      ARG  79 -25.572 -16.406  -7.749
  592    HB3  ARG  79           HB1      ARG  79 -26.413 -16.640  -9.274
  593    HG2  ARG  79           HG2      ARG  79 -24.273 -16.237 -10.080
  594    HG3  ARG  79           HG1      ARG  79 -24.878 -14.580 -10.040
  595    HD2  ARG  79           HD2      ARG  79 -22.677 -14.663  -8.994
  596    HD3  ARG  79           HD1      ARG  79 -23.888 -14.316  -7.765
  597    HE   ARG  79           HE       ARG  79 -23.439 -16.382  -6.794
  598   HH11  ARG  79          HH21      ARG  79 -22.085 -16.142  -9.967
  599   HH12  ARG  79          HH22      ARG  79 -21.164 -17.603  -9.838
  600   HH21  ARG  79          HH11      ARG  79 -22.237 -18.302  -6.614
  601   HH22  ARG  79          HH12      ARG  79 -21.250 -18.827  -7.936
  602    H    LEU  80           HN       LEU  80 -27.559 -12.455  -9.092
  603    HA   LEU  80           HA       LEU  80 -28.635 -13.437 -11.653
  604    HB2  LEU  80           HB2      LEU  80 -30.376 -13.081  -9.627
  605    HB3  LEU  80           HB1      LEU  80 -30.281 -11.418 -10.203
  606    HG   LEU  80           HG       LEU  80 -32.107 -12.521 -11.331
  607   HD11  LEU  80          HD11      LEU  80 -31.573 -11.809 -13.486
  608   HD12  LEU  80          HD12      LEU  80 -29.917 -12.396 -13.391
  609   HD13  LEU  80          HD13      LEU  80 -30.400 -10.950 -12.505
  610   HD21  LEU  80          HD21      LEU  80 -30.429 -14.462 -12.841
  611   HD22  LEU  80          HD22      LEU  80 -32.042 -14.656 -12.160
  612   HD23  LEU  80          HD23      LEU  80 -30.631 -14.845 -11.131
  613    H    SER  81           HN       SER  81 -28.010 -12.222 -13.274
  614    HA   SER  81           HA       SER  81 -26.902  -9.540 -12.695
  615    HB2  SER  81           HB2      SER  81 -25.327  -9.925 -14.308
  616    HB3  SER  81           HB1      SER  81 -25.544 -11.560 -13.718
  617    HG   SER  81           HG       SER  81 -25.779 -11.728 -15.878
  618    H    SER  82           HN       SER  82 -26.765  -8.661 -15.332
  619    HA   SER  82           HA       SER  82 -29.105  -7.305 -15.714
  620    HB2  SER  82           HB2      SER  82 -28.401  -7.192 -18.164
  621    HB3  SER  82           HB1      SER  82 -27.217  -6.640 -16.984
  622    HG   SER  82           HG       SER  82 -27.321  -9.068 -18.424
  623    H    CYS  83           HN       CYS  83 -30.367  -7.613 -17.997
  624    HA   CYS  83           HA       CYS  83 -31.120 -10.395 -18.400
  625    HB2  CYS  83           HB2      CYS  83 -33.394 -10.154 -17.743
  626    HB3  CYS  83           HB1      CYS  83 -32.458  -9.434 -16.431
  627    HG   CYS  83           HG       CYS  83 -33.051  -7.251 -18.354
  628    H    ARG  84           HN       ARG  84 -32.454 -10.679 -20.321
  629    HA   ARG  84           HA       ARG  84 -32.475  -8.313 -22.119
  630    HB2  ARG  84           HB2      ARG  84 -32.108 -11.233 -22.831
  631    HB3  ARG  84           HB1      ARG  84 -32.178  -9.892 -23.978
  632    HG2  ARG  84           HG2      ARG  84 -30.205  -8.871 -22.910
  633    HG3  ARG  84           HG1      ARG  84 -30.135 -10.209 -21.763
  634    HD2  ARG  84           HD2      ARG  84 -28.551 -10.674 -23.516
  635    HD3  ARG  84           HD1      ARG  84 -29.912 -11.774 -23.722
  636    HE   ARG  84           HE       ARG  84 -30.355  -9.422 -25.240
  637   HH11  ARG  84          HH21      ARG  84 -28.384 -12.259 -25.095
  638   HH12  ARG  84          HH22      ARG  84 -28.137 -12.344 -26.808
  639   HH21  ARG  84          HH11      ARG  84 -30.039  -9.526 -27.489
  640   HH22  ARG  84          HH12      ARG  84 -29.074 -10.795 -28.162
  641    H    ALA  85           HN       ALA  85 -34.434  -7.726 -22.829
  642    HA   ALA  85           HA       ALA  85 -36.806  -8.938 -21.925
  643    HB1  ALA  85           HB1      ALA  85 -37.955  -7.355 -23.296
  644    HB2  ALA  85           HB2      ALA  85 -36.559  -7.168 -24.358
  645    HB3  ALA  85           HB3      ALA  85 -36.502  -6.545 -22.708
  646    H    VAL  86           HN       VAL  86 -37.948 -10.624 -22.642
  647    HA   VAL  86           HA       VAL  86 -37.346 -11.661 -25.376
  648    HB   VAL  86           HB       VAL  86 -37.874 -13.102 -22.770
  649   HG11  VAL  86          HG11      VAL  86 -39.329 -14.251 -24.266
  650   HG12  VAL  86          HG12      VAL  86 -37.839 -15.192 -24.267
  651   HG13  VAL  86          HG13      VAL  86 -38.194 -14.098 -25.602
  652   HG21  VAL  86          HG21      VAL  86 -35.789 -13.674 -24.881
  653   HG22  VAL  86          HG22      VAL  86 -35.776 -14.114 -23.174
  654   HG23  VAL  86          HG23      VAL  86 -35.531 -12.433 -23.654
  655    H    HIS  87           HN       HIS  87 -38.982 -11.767 -26.732
  656    HA   HIS  87           HA       HIS  87 -41.717 -11.287 -25.736
  657    HB2  HIS  87           HB2      HIS  87 -40.599 -11.176 -28.552
  658    HB3  HIS  87           HB1      HIS  87 -42.248 -10.763 -28.076
  659    HD2  HIS  87           HD2      HIS  87 -38.722  -9.153 -28.110
  660    HE1  HIS  87           HE1      HIS  87 -41.287  -6.482 -26.078
  661    HE2  HIS  87           HE2      HIS  87 -38.977  -6.759 -27.098
  662    H    LEU  88           HN       LEU  88 -43.465 -12.522 -26.670
  663    HA   LEU  88           HA       LEU  88 -42.861 -15.327 -26.668
  664    HB2  LEU  88           HB2      LEU  88 -45.576 -14.250 -27.384
  665    HB3  LEU  88           HB1      LEU  88 -45.161 -15.665 -26.422
  666    HG   LEU  88           HG       LEU  88 -44.800 -12.779 -25.565
  667   HD11  LEU  88          HD11      LEU  88 -47.153 -13.826 -25.634
  668   HD12  LEU  88          HD12      LEU  88 -46.629 -13.148 -24.093
  669   HD13  LEU  88          HD13      LEU  88 -46.585 -14.893 -24.350
  670   HD21  LEU  88          HD21      LEU  88 -43.024 -14.143 -24.638
  671   HD22  LEU  88          HD22      LEU  88 -44.161 -15.420 -24.219
  672   HD23  LEU  88          HD23      LEU  88 -44.214 -13.880 -23.365
  673    HA   PRO  89           HA       PRO  89 -42.531 -15.891 -31.054
  674    HB2  PRO  89           HB2      PRO  89 -43.430 -18.470 -31.333
  675    HB3  PRO  89           HB1      PRO  89 -41.845 -18.058 -30.655
  676    HG2  PRO  89           HG2      PRO  89 -44.382 -18.770 -29.242
  677    HG3  PRO  89           HG1      PRO  89 -42.717 -19.276 -28.896
  678    HD2  PRO  89           HD2      PRO  89 -43.939 -17.299 -27.475
  679    HD3  PRO  89           HD1      PRO  89 -42.191 -17.295 -27.786
  680    H    SER  90           HN       SER  90 -43.737 -15.965 -32.982
  681    HA   SER  90           HA       SER  90 -46.600 -16.381 -32.911
  682    HB2  SER  90           HB2      SER  90 -47.316 -14.199 -33.321
  683    HB3  SER  90           HB1      SER  90 -46.045 -13.947 -32.127
  684    HG   SER  90           HG       SER  90 -46.089 -13.419 -34.869
  685    H    GLY  91           HN       GLY  91 -47.540 -15.815 -35.123
  686    HA2  GLY  91           HA2      GLY  91 -47.510 -15.968 -37.431
  687    HA3  GLY  91           HA1      GLY  91 -45.759 -15.770 -37.375
  688    H    GLY  92           HN       GLY  92 -44.528 -17.711 -36.567
  689    HA2  GLY  92           HA2      GLY  92 -45.326 -19.988 -38.117
  690    HA3  GLY  92           HA1      GLY  92 -43.867 -19.850 -37.136
  691    H    GLN  93           HN       GLN  93 -47.144 -19.321 -35.974
  692    HA   GLN  93           HA       GLN  93 -48.113 -20.186 -34.051
  693    HB2  GLN  93           HB2      GLN  93 -48.686 -22.685 -34.523
  694    HB3  GLN  93           HB1      GLN  93 -49.303 -21.451 -35.617
  695    HG2  GLN  93           HG2      GLN  93 -47.482 -21.865 -37.188
  696    HG3  GLN  93           HG1      GLN  93 -46.750 -23.016 -36.075
  697   HE21  GLN  93          HE21      GLN  93 -48.146 -24.979 -35.533
  698   HE22  GLN  93          HE22      GLN  93 -49.161 -25.583 -36.762
  699    H    TYR  94           HN       TYR  94 -46.996 -23.358 -34.328
  700    HA   TYR  94           HA       TYR  94 -44.680 -23.037 -32.593
  701    HB2  TYR  94           HB2      TYR  94 -46.736 -22.932 -31.104
  702    HB3  TYR  94           HB1      TYR  94 -47.038 -24.604 -31.562
  703    HD1  TYR  94           HD1      TYR  94 -44.413 -22.354 -30.177
  704    HD2  TYR  94           HD2      TYR  94 -45.917 -26.361 -30.450
  705    HE1  TYR  94           HE1      TYR  94 -42.752 -23.087 -28.492
  706    HE2  TYR  94           HE2      TYR  94 -44.257 -27.102 -28.764
  707    HH   TYR  94           HH       TYR  94 -42.948 -25.932 -26.841
  708    H    LYS  95           HN       LYS  95 -43.277 -24.355 -33.559
  709    HA   LYS  95           HA       LYS  95 -43.944 -27.167 -33.884
  710    HB2  LYS  95           HB2      LYS  95 -44.776 -26.231 -35.997
  711    HB3  LYS  95           HB1      LYS  95 -43.219 -25.469 -36.282
  712    HG2  LYS  95           HG2      LYS  95 -43.222 -27.471 -37.584
  713    HG3  LYS  95           HG1      LYS  95 -42.179 -27.795 -36.221
  714    HD2  LYS  95           HD2      LYS  95 -43.455 -29.572 -35.638
  715    HD3  LYS  95           HD1      LYS  95 -44.850 -28.531 -35.444
  716    HE2  LYS  95           HE2      LYS  95 -43.952 -29.752 -38.066
  717    HE3  LYS  95           HE1      LYS  95 -45.331 -30.275 -37.095
  718    HZ1  LYS  95           HZ1      LYS  95 -44.980 -27.831 -38.670
  719    HZ2  LYS  95           HZ2      LYS  95 -45.970 -27.779 -37.292
  720    HZ3  LYS  95           HZ3      LYS  95 -46.329 -28.853 -38.559
  721    H    ILE  96           HN       ILE  96 -42.240 -28.444 -33.667
  722    HA   ILE  96           HA       ILE  96 -39.520 -27.296 -33.869
  723    HB   ILE  96           HB       ILE  96 -39.845 -27.214 -31.556
  724   HG12  ILE  96          HG12      ILE  96 -38.796 -30.028 -31.808
  725   HG13  ILE  96          HG11      ILE  96 -37.857 -28.654 -32.380
  726   HG21  ILE  96          HG21      ILE  96 -41.147 -29.944 -31.710
  727   HG22  ILE  96          HG22      ILE  96 -42.022 -28.425 -31.545
  728   HG23  ILE  96          HG23      ILE  96 -40.961 -28.971 -30.253
  729   HD11  ILE  96          HD11      ILE  96 -38.851 -29.116 -29.559
  730   HD12  ILE  96          HD12      ILE  96 -38.077 -27.626 -30.098
  731   HD13  ILE  96          HD13      ILE  96 -37.176 -29.139 -30.104
  732    H    GLN  97           HN       GLN  97 -37.944 -28.672 -34.484
  733    HA   GLN  97           HA       GLN  97 -38.718 -31.432 -35.186
  734    HB2  GLN  97           HB2      GLN  97 -37.295 -29.337 -36.773
  735    HB3  GLN  97           HB1      GLN  97 -36.792 -31.014 -36.979
  736    HG2  GLN  97           HG2      GLN  97 -39.164 -31.632 -37.449
  737    HG3  GLN  97           HG1      GLN  97 -39.605 -29.930 -37.337
  738   HE21  GLN  97          HE21      GLN  97 -36.527 -29.994 -38.614
  739   HE22  GLN  97          HE22      GLN  97 -36.919 -29.970 -40.271
  740    H    ILE  98           HN       ILE  98 -37.469 -32.978 -34.384
  741    HA   ILE  98           HA       ILE  98 -34.909 -32.201 -33.093
  742    HB   ILE  98           HB       ILE  98 -36.638 -34.536 -32.252
  743   HG12  ILE  98          HG12      ILE  98 -36.797 -31.681 -31.247
  744   HG13  ILE  98          HG11      ILE  98 -38.055 -32.503 -32.166
  745   HG21  ILE  98          HG21      ILE  98 -34.768 -32.780 -30.657
  746   HG22  ILE  98          HG22      ILE  98 -34.223 -34.208 -31.528
  747   HG23  ILE  98          HG23      ILE  98 -35.398 -34.369 -30.225
  748   HD11  ILE  98          HD11      ILE  98 -37.579 -34.278 -30.080
  749   HD12  ILE  98          HD12      ILE  98 -38.898 -33.114 -30.159
  750   HD13  ILE  98          HD13      ILE  98 -37.409 -32.696 -29.315
  751    H    PHE  99           HN       PHE  99 -33.147 -33.258 -33.770
  752    HA   PHE  99           HA       PHE  99 -33.514 -35.654 -35.485
  753    HB2  PHE  99           HB2      PHE  99 -31.454 -33.457 -35.499
  754    HB3  PHE  99           HB1      PHE  99 -31.146 -35.006 -36.272
  755    HD1  PHE  99           HD1      PHE  99 -33.522 -32.128 -36.200
  756    HD2  PHE  99           HD2      PHE  99 -32.068 -35.520 -38.392
  757    HE1  PHE  99           HE1      PHE  99 -34.823 -31.406 -38.184
  758    HE2  PHE  99           HE2      PHE  99 -33.366 -34.799 -40.376
  759    HZ   PHE  99           HZ       PHE  99 -34.743 -32.744 -40.272
  760    H    GLU 100           HN       GLU 100 -32.715 -37.520 -34.830
  761    HA   GLU 100           HA       GLU 100 -31.635 -37.880 -32.256
  762    HB2  GLU 100           HB2      GLU 100 -32.839 -39.654 -33.514
  763    HB3  GLU 100           HB1      GLU 100 -31.466 -39.762 -34.623
  764    HG2  GLU 100           HG2      GLU 100 -29.990 -40.387 -32.758
  765    HG3  GLU 100           HG1      GLU 100 -31.333 -40.222 -31.624
  766    H    LYS 101           HN       LYS 101 -30.160 -37.182 -35.311
  767    HA   LYS 101           HA       LYS 101 -27.478 -37.448 -34.064
  768    HB2  LYS 101           HB2      LYS 101 -28.182 -37.796 -36.982
  769    HB3  LYS 101           HB1      LYS 101 -26.598 -38.021 -36.245
  770    HG2  LYS 101           HG2      LYS 101 -27.411 -39.871 -34.936
  771    HG3  LYS 101           HG1      LYS 101 -29.062 -39.598 -35.473
  772    HD2  LYS 101           HD2      LYS 101 -28.375 -40.058 -37.802
  773    HD3  LYS 101           HD1      LYS 101 -26.732 -40.390 -37.242
  774    HE2  LYS 101           HE2      LYS 101 -29.178 -41.879 -36.255
  775    HE3  LYS 101           HE1      LYS 101 -28.137 -42.459 -37.555
  776    HZ1  LYS 101           HZ1      LYS 101 -26.310 -41.965 -35.727
  777    HZ2  LYS 101           HZ2      LYS 101 -27.124 -43.455 -35.814
  778    HZ3  LYS 101           HZ3      LYS 101 -27.615 -42.280 -34.690
  779    H    GLY 102           HN       GLY 102 -26.026 -35.798 -34.415
  780    HA2  GLY 102           HA2      GLY 102 -27.034 -33.210 -34.833
  781    HA3  GLY 102           HA1      GLY 102 -25.338 -33.635 -34.816
  782    H    ASP 103           HN       ASP 103 -25.757 -31.739 -36.515
  783    HA   ASP 103           HA       ASP 103 -25.642 -31.077 -38.708
  784    HB2  ASP 103           HB2      ASP 103 -23.780 -32.797 -38.610
  785    HB3  ASP 103           HB1      ASP 103 -24.920 -33.950 -39.301
  786    H    PHE 104           HN       PHE 104 -28.167 -32.121 -37.663
  787    HA   PHE 104           HA       PHE 104 -30.265 -32.698 -38.383
  788    HB2  PHE 104           HB2      PHE 104 -29.346 -31.958 -41.160
  789    HB3  PHE 104           HB1      PHE 104 -30.950 -31.799 -40.449
  790    HD1  PHE 104           HD2      PHE 104 -30.938 -30.405 -38.144
  791    HD2  PHE 104           HD1      PHE 104 -28.094 -29.981 -41.332
  792    HE1  PHE 104           HE2      PHE 104 -30.363 -28.140 -37.325
  793    HE2  PHE 104           HE1      PHE 104 -27.519 -27.708 -40.517
  794    HZ   PHE 104           HZ       PHE 104 -28.654 -26.791 -38.512
  795    H    SER 105           HN       SER 105 -29.760 -34.971 -37.955
  796    HA   SER 105           HA       SER 105 -30.256 -36.588 -40.290
  797    HB2  SER 105           HB2      SER 105 -27.585 -36.652 -38.904
  798    HB3  SER 105           HB1      SER 105 -28.216 -38.079 -39.716
  799    HG   SER 105           HG       SER 105 -27.894 -37.154 -41.588
  800    H    GLY 106           HN       GLY 106 -30.637 -38.844 -39.720
  801    HA2  GLY 106           HA2      GLY 106 -31.139 -40.587 -38.213
  802    HA3  GLY 106           HA1      GLY 106 -30.972 -39.456 -36.878
  803    H    GLN 107           HN       GLN 107 -32.959 -40.330 -36.055
  804    HA   GLN 107           HA       GLN 107 -35.397 -40.187 -37.486
  805    HB2  GLN 107           HB2      GLN 107 -35.129 -41.686 -35.572
  806    HB3  GLN 107           HB1      GLN 107 -34.911 -40.300 -34.508
  807    HG2  GLN 107           HG2      GLN 107 -37.224 -41.195 -34.416
  808    HG3  GLN 107           HG1      GLN 107 -37.188 -39.529 -35.006
  809   HE21  GLN 107          HE21      GLN 107 -39.061 -39.650 -36.328
  810   HE22  GLN 107          HE22      GLN 107 -39.176 -40.653 -37.693
  811    H    MET 108           HN       MET 108 -36.911 -38.625 -37.663
  812    HA   MET 108           HA       MET 108 -36.378 -36.056 -36.318
  813    HB2  MET 108           HB2      MET 108 -35.893 -36.053 -38.783
  814    HB3  MET 108           HB1      MET 108 -37.613 -36.368 -39.036
  815    HG2  MET 108           HG2      MET 108 -38.142 -34.320 -37.709
  816    HG3  MET 108           HG1      MET 108 -36.414 -33.988 -37.591
  817    HE1  MET 108           HE1      MET 108 -39.227 -33.546 -41.136
  818    HE2  MET 108           HE2      MET 108 -39.582 -33.445 -39.413
  819    HE3  MET 108           HE3      MET 108 -39.176 -35.000 -40.131
  820    H    TYR 109           HN       TYR 109 -37.970 -35.284 -35.084
  821    HA   TYR 109           HA       TYR 109 -40.704 -36.337 -35.496
  822    HB2  TYR 109           HB2      TYR 109 -39.177 -35.803 -32.955
  823    HB3  TYR 109           HB1      TYR 109 -40.925 -35.917 -33.000
  824    HD1  TYR 109           HD2      TYR 109 -41.813 -38.052 -34.446
  825    HD2  TYR 109           HD1      TYR 109 -38.020 -37.764 -32.447
  826    HE1  TYR 109           HE2      TYR 109 -41.648 -40.524 -34.401
  827    HE2  TYR 109           HE1      TYR 109 -37.862 -40.238 -32.393
  828    HH   TYR 109           HH       TYR 109 -40.385 -42.254 -32.850
  829    H    GLU 110           HN       GLU 110 -42.310 -34.943 -35.555
  830    HA   GLU 110           HA       GLU 110 -41.772 -32.099 -34.977
  831    HB2  GLU 110           HB2      GLU 110 -43.449 -31.647 -36.832
  832    HB3  GLU 110           HB1      GLU 110 -41.857 -32.205 -37.336
  833    HG2  GLU 110           HG2      GLU 110 -42.712 -34.503 -37.531
  834    HG3  GLU 110           HG1      GLU 110 -44.302 -33.963 -37.002
  835    H    THR 111           HN       THR 111 -43.084 -31.214 -33.540
  836    HA   THR 111           HA       THR 111 -45.842 -32.161 -33.259
  837    HB   THR 111           HB       THR 111 -44.369 -33.541 -31.748
  838    HG1  THR 111           HG1      THR 111 -45.933 -33.529 -30.295
  839   HG21  THR 111          HG21      THR 111 -42.883 -31.495 -31.230
  840   HG22  THR 111          HG22      THR 111 -43.289 -32.559 -29.885
  841   HG23  THR 111          HG23      THR 111 -44.147 -31.032 -30.090
  842    H    THR 112           HN       THR 112 -47.165 -30.513 -32.940
  843    HA   THR 112           HA       THR 112 -46.038 -27.861 -32.389
  844    HB   THR 112           HB       THR 112 -48.134 -26.979 -33.171
  845    HG1  THR 112           HG1      THR 112 -49.903 -28.126 -33.170
  846   HG21  THR 112          HG21      THR 112 -46.963 -29.227 -34.794
  847   HG22  THR 112          HG22      THR 112 -46.884 -27.490 -35.075
  848   HG23  THR 112          HG23      THR 112 -48.378 -28.366 -35.384
  849    H    GLU 113           HN       GLU 113 -46.080 -29.692 -30.218
  850    HA   GLU 113           HA       GLU 113 -47.778 -28.185 -28.343
  851    HB2  GLU 113           HB2      GLU 113 -48.285 -30.442 -27.199
  852    HB3  GLU 113           HB1      GLU 113 -49.197 -30.043 -28.662
  853    HG2  GLU 113           HG2      GLU 113 -47.733 -31.413 -30.014
  854    HG3  GLU 113           HG1      GLU 113 -46.664 -31.707 -28.644
  855    H    ASP 114           HN       ASP 114 -47.239 -29.139 -26.012
  856    HA   ASP 114           HA       ASP 114 -44.367 -28.789 -25.697
  857    HB2  ASP 114           HB2      ASP 114 -44.997 -28.949 -23.231
  858    HB3  ASP 114           HB1      ASP 114 -45.673 -27.596 -24.123
  859    H    CYS 115           HN       CYS 115 -43.140 -30.231 -24.325
  860    HA   CYS 115           HA       CYS 115 -44.122 -32.999 -24.317
  861    HB2  CYS 115           HB2      CYS 115 -42.689 -32.808 -26.226
  862    HB3  CYS 115           HB1      CYS 115 -41.416 -32.096 -25.234
  863    HG   CYS 115           HG       CYS 115 -42.285 -34.762 -24.100
  864    HA   PRO 116           HA       PRO 116 -42.300 -32.509 -20.188
  865    HB2  PRO 116           HB2      PRO 116 -43.227 -34.841 -19.098
  866    HB3  PRO 116           HB1      PRO 116 -44.266 -33.424 -19.341
  867    HG2  PRO 116           HG2      PRO 116 -44.057 -35.918 -20.961
  868    HG3  PRO 116           HG1      PRO 116 -45.487 -34.950 -20.561
  869    HD2  PRO 116           HD2      PRO 116 -44.122 -34.851 -22.995
  870    HD3  PRO 116           HD1      PRO 116 -45.185 -33.557 -22.376
  871    H    SER 117           HN       SER 117 -42.310 -35.824 -21.532
  872    HA   SER 117           HA       SER 117 -39.407 -36.095 -20.934
  873    HB2  SER 117           HB2      SER 117 -41.603 -38.172 -20.987
  874    HB3  SER 117           HB1      SER 117 -39.890 -38.571 -20.938
  875    HG   SER 117           HG       SER 117 -41.536 -37.396 -19.005
  876    H    ILE 118           HN       ILE 118 -38.308 -35.788 -22.792
  877    HA   ILE 118           HA       ILE 118 -39.424 -36.144 -25.378
  878    HB   ILE 118           HB       ILE 118 -37.421 -34.686 -24.471
  879   HG12  ILE 118          HG12      ILE 118 -37.413 -35.897 -27.253
  880   HG13  ILE 118          HG11      ILE 118 -38.438 -34.558 -26.732
  881   HG21  ILE 118          HG21      ILE 118 -35.910 -37.046 -25.574
  882   HG22  ILE 118          HG22      ILE 118 -36.045 -36.672 -23.865
  883   HG23  ILE 118          HG23      ILE 118 -35.231 -35.551 -24.947
  884   HD11  ILE 118          HD11      ILE 118 -35.481 -34.283 -26.360
  885   HD12  ILE 118          HD12      ILE 118 -36.703 -33.052 -26.677
  886   HD13  ILE 118          HD13      ILE 118 -36.154 -34.099 -27.974
  887    H    MET 119           HN       MET 119 -37.231 -38.056 -23.407
  888    HA   MET 119           HA       MET 119 -36.683 -40.010 -25.371
  889    HB2  MET 119           HB2      MET 119 -35.260 -39.648 -23.403
  890    HB3  MET 119           HB1      MET 119 -36.560 -40.228 -22.365
  891    HG2  MET 119           HG2      MET 119 -36.480 -42.419 -23.367
  892    HG3  MET 119           HG1      MET 119 -35.378 -41.862 -24.621
  893    HE1  MET 119           HE1      MET 119 -34.798 -44.438 -22.974
  894    HE2  MET 119           HE2      MET 119 -33.073 -44.221 -22.693
  895    HE3  MET 119           HE3      MET 119 -33.773 -43.743 -24.238
  896    H    GLU 120           HN       GLU 120 -39.446 -39.446 -23.402
  897    HA   GLU 120           HA       GLU 120 -40.325 -42.191 -23.382
  898    HB2  GLU 120           HB2      GLU 120 -40.911 -40.556 -21.620
  899    HB3  GLU 120           HB1      GLU 120 -41.857 -39.656 -22.805
  900    HG2  GLU 120           HG2      GLU 120 -43.406 -41.064 -21.677
  901    HG3  GLU 120           HG1      GLU 120 -43.139 -41.838 -23.222
  902    H    GLN 121           HN       GLN 121 -41.151 -39.248 -25.172
  903    HA   GLN 121           HA       GLN 121 -43.112 -40.710 -26.782
  904    HB2  GLN 121           HB2      GLN 121 -43.451 -38.366 -27.771
  905    HB3  GLN 121           HB1      GLN 121 -43.903 -38.591 -26.077
  906    HG2  GLN 121           HG2      GLN 121 -42.208 -37.272 -25.300
  907    HG3  GLN 121           HG1      GLN 121 -41.076 -37.783 -26.547
  908   HE21  GLN 121          HE21      GLN 121 -44.224 -36.638 -27.555
  909   HE22  GLN 121          HE22      GLN 121 -43.694 -35.124 -28.125
  910    H    PHE 122           HN       PHE 122 -39.917 -39.254 -27.070
  911    HA   PHE 122           HA       PHE 122 -39.878 -40.054 -29.915
  912    HB2  PHE 122           HB2      PHE 122 -38.377 -37.834 -28.522
  913    HB3  PHE 122           HB1      PHE 122 -38.124 -38.306 -30.199
  914    HD1  PHE 122           HD2      PHE 122 -40.928 -38.811 -31.167
  915    HD2  PHE 122           HD1      PHE 122 -39.388 -35.705 -28.604
  916    HE1  PHE 122           HE2      PHE 122 -42.818 -37.363 -31.784
  917    HE2  PHE 122           HE1      PHE 122 -41.289 -34.253 -29.264
  918    HZ   PHE 122           HZ       PHE 122 -42.993 -35.090 -30.840
  919    H    HIS 123           HN       HIS 123 -38.869 -41.094 -27.008
  920    HA   HIS 123           HA       HIS 123 -37.168 -42.514 -26.359
  921    HB2  HIS 123           HB2      HIS 123 -37.156 -43.087 -29.318
  922    HB3  HIS 123           HB1      HIS 123 -36.381 -44.079 -28.080
  923    HD2  HIS 123           HD2      HIS 123 -38.948 -45.383 -29.721
  924    HE1  HIS 123           HE1      HIS 123 -41.085 -44.691 -26.147
  925    HE2  HIS 123           HE2      HIS 123 -41.084 -45.975 -28.339
  926    H    MET 124           HN       MET 124 -36.568 -39.700 -27.611
  927    HA   MET 124           HA       MET 124 -33.846 -39.977 -28.511
  928    HB2  MET 124           HB2      MET 124 -35.517 -37.589 -27.732
  929    HB3  MET 124           HB1      MET 124 -33.857 -37.480 -28.305
  930    HG2  MET 124           HG2      MET 124 -35.875 -39.006 -29.916
  931    HG3  MET 124           HG1      MET 124 -35.838 -37.252 -30.009
  932    HE1  MET 124           HE1      MET 124 -34.415 -36.350 -32.277
  933    HE2  MET 124           HE2      MET 124 -35.690 -37.558 -32.291
  934    HE3  MET 124           HE3      MET 124 -34.238 -37.820 -33.238
  935    H    ARG 125           HN       ARG 125 -32.057 -39.964 -27.301
  936    HA   ARG 125           HA       ARG 125 -32.362 -39.589 -24.393
  937    HB2  ARG 125           HB2      ARG 125 -30.024 -40.758 -24.477
  938    HB3  ARG 125           HB1      ARG 125 -31.468 -41.726 -24.752
  939    HG2  ARG 125           HG2      ARG 125 -31.168 -41.541 -27.179
  940    HG3  ARG 125           HG1      ARG 125 -29.767 -40.493 -26.942
  941    HD2  ARG 125           HD2      ARG 125 -28.996 -42.760 -27.373
  942    HD3  ARG 125           HD1      ARG 125 -28.647 -42.345 -25.698
  943    HE   ARG 125           HE       ARG 125 -31.179 -43.611 -25.858
  944   HH11  ARG 125          HH21      ARG 125 -27.783 -44.218 -26.162
  945   HH12  ARG 125          HH22      ARG 125 -27.894 -45.871 -25.660
  946   HH21  ARG 125          HH11      ARG 125 -31.329 -45.779 -25.196
  947   HH22  ARG 125          HH12      ARG 125 -29.902 -46.755 -25.113
  948    H    GLU 126           HN       GLU 126 -30.673 -38.444 -27.245
  949    HA   GLU 126           HA       GLU 126 -29.671 -36.170 -25.724
  950    HB2  GLU 126           HB2      GLU 126 -27.729 -37.857 -27.309
  951    HB3  GLU 126           HB1      GLU 126 -27.360 -36.406 -26.405
  952    HG2  GLU 126           HG2      GLU 126 -28.114 -37.582 -24.324
  953    HG3  GLU 126           HG1      GLU 126 -28.301 -39.048 -25.274
  954    H    ILE 127           HN       ILE 127 -30.536 -34.603 -26.862
  955    HA   ILE 127           HA       ILE 127 -30.952 -34.764 -29.697
  956    HB   ILE 127           HB       ILE 127 -31.088 -32.250 -28.018
  957   HG12  ILE 127          HG12      ILE 127 -32.423 -33.780 -26.767
  958   HG13  ILE 127          HG11      ILE 127 -33.576 -32.923 -27.796
  959   HG21  ILE 127          HG21      ILE 127 -32.465 -33.205 -30.533
  960   HG22  ILE 127          HG22      ILE 127 -31.355 -31.866 -30.385
  961   HG23  ILE 127          HG23      ILE 127 -32.944 -31.764 -29.651
  962   HD11  ILE 127          HD11      ILE 127 -34.147 -35.216 -27.998
  963   HD12  ILE 127          HD12      ILE 127 -32.468 -35.701 -28.160
  964   HD13  ILE 127          HD13      ILE 127 -33.262 -34.836 -29.470
  965    H    HIS 128           HN       HIS 128 -29.594 -34.289 -31.259
  966    HA   HIS 128           HA       HIS 128 -27.075 -32.897 -30.605
  967    HB2  HIS 128           HB2      HIS 128 -27.755 -34.751 -32.878
  968    HB3  HIS 128           HB1      HIS 128 -26.176 -34.024 -32.594
  969    HD2  HIS 128           HD2      HIS 128 -24.720 -35.181 -30.452
  970    HE1  HIS 128           HE1      HIS 128 -27.557 -38.172 -29.567
  971    HE2  HIS 128           HE2      HIS 128 -25.183 -37.382 -29.118
  972    H    SER 129           HN       SER 129 -29.838 -32.917 -32.780
  973    HA   SER 129           HA       SER 129 -29.225 -30.161 -33.535
  974    HB2  SER 129           HB2      SER 129 -28.036 -31.215 -35.278
  975    HB3  SER 129           HB1      SER 129 -29.274 -32.454 -35.488
  976    HG   SER 129           HG       SER 129 -29.060 -30.094 -36.679
  977    H    CYS 130           HN       CYS 130 -31.009 -29.014 -34.231
  978    HA   CYS 130           HA       CYS 130 -33.556 -30.370 -34.647
  979    HB2  CYS 130           HB2      CYS 130 -33.982 -30.187 -32.390
  980    HB3  CYS 130           HB1      CYS 130 -32.862 -28.847 -32.180
  981    HG   CYS 130           HG       CYS 130 -34.728 -27.261 -33.238
  982    H    LYS 131           HN       LYS 131 -34.741 -29.331 -36.127
  983    HA   LYS 131           HA       LYS 131 -33.908 -26.594 -36.909
  984    HB2  LYS 131           HB2      LYS 131 -35.297 -28.702 -38.576
  985    HB3  LYS 131           HB1      LYS 131 -34.760 -27.118 -39.131
  986    HG2  LYS 131           HG2      LYS 131 -32.422 -27.821 -38.324
  987    HG3  LYS 131           HG1      LYS 131 -33.073 -29.458 -38.243
  988    HD2  LYS 131           HD2      LYS 131 -33.128 -27.702 -40.714
  989    HD3  LYS 131           HD1      LYS 131 -31.939 -28.968 -40.412
  990    HE2  LYS 131           HE2      LYS 131 -33.888 -30.575 -40.161
  991    HE3  LYS 131           HE1      LYS 131 -34.920 -29.295 -40.796
  992    HZ1  LYS 131           HZ1      LYS 131 -34.335 -29.995 -42.801
  993    HZ2  LYS 131           HZ2      LYS 131 -33.134 -31.025 -42.182
  994    HZ3  LYS 131           HZ3      LYS 131 -32.779 -29.393 -42.499
  995    H    VAL 132           HN       VAL 132 -36.010 -25.858 -38.431
  996    HA   VAL 132           HA       VAL 132 -38.033 -24.785 -38.256
  997    HB   VAL 132           HB       VAL 132 -38.799 -27.307 -36.777
  998   HG11  VAL 132          HG11      VAL 132 -40.344 -25.070 -38.095
  999   HG12  VAL 132          HG12      VAL 132 -40.554 -25.752 -36.484
 1000   HG13  VAL 132          HG13      VAL 132 -41.049 -26.674 -37.903
 1001   HG21  VAL 132          HG21      VAL 132 -38.829 -26.619 -39.733
 1002   HG22  VAL 132          HG22      VAL 132 -39.534 -28.073 -39.028
 1003   HG23  VAL 132          HG23      VAL 132 -37.794 -27.813 -38.953
 1004    H    LEU 133           HN       LEU 133 -37.440 -23.080 -36.924
 1005    HA   LEU 133           HA       LEU 133 -37.986 -23.403 -34.030
 1006    HB2  LEU 133           HB2      LEU 133 -36.055 -21.722 -35.582
 1007    HB3  LEU 133           HB1      LEU 133 -36.693 -21.062 -34.076
 1008    HG   LEU 133           HG       LEU 133 -34.552 -22.339 -33.784
 1009   HD11  LEU 133          HD11      LEU 133 -35.224 -22.874 -31.687
 1010   HD12  LEU 133          HD12      LEU 133 -36.374 -24.076 -32.260
 1011   HD13  LEU 133          HD13      LEU 133 -36.840 -22.385 -32.172
 1012   HD21  LEU 133          HD21      LEU 133 -36.140 -24.856 -34.289
 1013   HD22  LEU 133          HD22      LEU 133 -34.392 -24.637 -34.263
 1014   HD23  LEU 133          HD23      LEU 133 -35.334 -24.031 -35.623
 1015    H    GLU 134           HN       GLU 134 -38.898 -21.474 -32.967
 1016    HA   GLU 134           HA       GLU 134 -40.653 -19.867 -34.705
 1017    HB2  GLU 134           HB2      GLU 134 -41.464 -21.867 -32.648
 1018    HB3  GLU 134           HB1      GLU 134 -42.353 -20.346 -32.647
 1019    HG2  GLU 134           HG2      GLU 134 -43.489 -21.897 -34.097
 1020    HG3  GLU 134           HG1      GLU 134 -42.776 -20.652 -35.103
 1021    H    GLY 135           HN       GLY 135 -39.999 -17.868 -34.294
 1022    HA2  GLY 135           HA2      GLY 135 -39.159 -16.035 -33.151
 1023    HA3  GLY 135           HA1      GLY 135 -40.488 -16.406 -32.063
 1024    H    VAL 136           HN       VAL 136 -40.098 -17.695 -30.215
 1025    HA   VAL 136           HA       VAL 136 -37.248 -17.952 -29.438
 1026    HB   VAL 136           HB       VAL 136 -39.486 -17.210 -27.573
 1027   HG11  VAL 136          HG11      VAL 136 -37.570 -18.228 -26.483
 1028   HG12  VAL 136          HG12      VAL 136 -37.539 -16.498 -26.164
 1029   HG13  VAL 136          HG13      VAL 136 -36.464 -17.188 -27.379
 1030   HG21  VAL 136          HG21      VAL 136 -37.453 -15.390 -28.881
 1031   HG22  VAL 136          HG22      VAL 136 -38.659 -14.912 -27.693
 1032   HG23  VAL 136          HG23      VAL 136 -39.165 -15.445 -29.288
 1033    H    TRP 137           HN       TRP 137 -36.807 -19.625 -27.910
 1034    HA   TRP 137           HA       TRP 137 -38.907 -21.666 -27.558
 1035    HB2  TRP 137           HB2      TRP 137 -37.480 -22.054 -29.680
 1036    HB3  TRP 137           HB1      TRP 137 -36.158 -22.415 -28.569
 1037    HD1  TRP 137           HD1      TRP 137 -36.284 -24.579 -27.164
 1038    HE1  TRP 137           HE1      TRP 137 -37.772 -26.689 -27.295
 1039    HE3  TRP 137           HE3      TRP 137 -39.914 -22.863 -30.284
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.206 -27.514 -28.570
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.803 -24.325 -30.952
 1042    HH2  TRP 137           HH2      TRP 137 -41.950 -26.639 -30.092
 1043    H    ILE 138           HN       ILE 138 -38.018 -23.492 -26.159
 1044    HA   ILE 138           HA       ILE 138 -35.934 -22.664 -24.268
 1045    HB   ILE 138           HB       ILE 138 -38.808 -23.163 -23.479
 1046   HG12  ILE 138          HG12      ILE 138 -36.897 -20.879 -22.852
 1047   HG13  ILE 138          HG11      ILE 138 -38.140 -20.830 -24.095
 1048   HG21  ILE 138          HG21      ILE 138 -37.537 -24.450 -21.926
 1049   HG22  ILE 138          HG22      ILE 138 -37.858 -22.930 -21.107
 1050   HG23  ILE 138          HG23      ILE 138 -36.276 -23.227 -21.823
 1051   HD11  ILE 138          HD11      ILE 138 -39.728 -21.540 -22.080
 1052   HD12  ILE 138          HD12      ILE 138 -39.300 -19.853 -22.355
 1053   HD13  ILE 138          HD13      ILE 138 -38.449 -20.788 -21.129
 1054    H    PHE 139           HN       PHE 139 -34.663 -24.346 -23.850
 1055    HA   PHE 139           HA       PHE 139 -35.765 -27.090 -24.080
 1056    HB2  PHE 139           HB2      PHE 139 -33.270 -25.813 -25.015
 1057    HB3  PHE 139           HB1      PHE 139 -32.981 -27.305 -24.129
 1058    HD1  PHE 139           HD1      PHE 139 -35.998 -26.547 -26.195
 1059    HD2  PHE 139           HD2      PHE 139 -32.310 -28.725 -25.926
 1060    HE1  PHE 139           HE1      PHE 139 -36.660 -27.886 -28.156
 1061    HE2  PHE 139           HE2      PHE 139 -32.974 -30.078 -27.892
 1062    HZ   PHE 139           HZ       PHE 139 -35.147 -29.663 -29.009
 1063    H    TYR 140           HN       TYR 140 -35.774 -28.355 -22.403
 1064    HA   TYR 140           HA       TYR 140 -34.552 -27.345 -19.899
 1065    HB2  TYR 140           HB2      TYR 140 -37.039 -28.922 -20.543
 1066    HB3  TYR 140           HB1      TYR 140 -36.301 -29.097 -18.973
 1067    HD1  TYR 140           HD2      TYR 140 -35.939 -27.074 -17.534
 1068    HD2  TYR 140           HD1      TYR 140 -38.279 -26.955 -21.115
 1069    HE1  TYR 140           HE2      TYR 140 -37.002 -24.985 -16.758
 1070    HE2  TYR 140           HE1      TYR 140 -39.341 -24.852 -20.357
 1071    HH   TYR 140           HH       TYR 140 -39.166 -23.154 -18.859
 1072    H    GLU 141           HN       GLU 141 -32.658 -28.284 -19.584
 1073    HA   GLU 141           HA       GLU 141 -31.644 -30.582 -20.641
 1074    HB2  GLU 141           HB2      GLU 141 -30.397 -28.905 -19.248
 1075    HB3  GLU 141           HB1      GLU 141 -31.114 -29.645 -17.817
 1076    HG2  GLU 141           HG2      GLU 141 -30.123 -31.837 -18.514
 1077    HG3  GLU 141           HG1      GLU 141 -29.321 -31.008 -19.845
 1078    H    LEU 142           HN       LEU 142 -34.022 -30.249 -18.156
 1079    HA   LEU 142           HA       LEU 142 -33.948 -33.168 -17.703
 1080    HB2  LEU 142           HB2      LEU 142 -34.171 -30.909 -15.823
 1081    HB3  LEU 142           HB1      LEU 142 -35.350 -32.160 -15.537
 1082    HG   LEU 142           HG       LEU 142 -33.509 -33.836 -15.492
 1083   HD11  LEU 142          HD11      LEU 142 -31.810 -32.929 -16.843
 1084   HD12  LEU 142          HD12      LEU 142 -31.164 -32.744 -15.215
 1085   HD13  LEU 142          HD13      LEU 142 -31.877 -31.358 -16.041
 1086   HD21  LEU 142          HD21      LEU 142 -32.723 -33.252 -13.294
 1087   HD22  LEU 142          HD22      LEU 142 -34.348 -32.581 -13.442
 1088   HD23  LEU 142          HD23      LEU 142 -32.944 -31.530 -13.610
 1089    HA   PRO 143           HA       PRO 143 -38.062 -33.351 -19.189
 1090    HB2  PRO 143           HB2      PRO 143 -39.104 -35.456 -17.806
 1091    HB3  PRO 143           HB1      PRO 143 -37.843 -35.657 -19.036
 1092    HG2  PRO 143           HG2      PRO 143 -37.611 -35.664 -16.070
 1093    HG3  PRO 143           HG1      PRO 143 -36.731 -36.616 -17.276
 1094    HD2  PRO 143           HD2      PRO 143 -35.717 -34.354 -16.007
 1095    HD3  PRO 143           HD1      PRO 143 -35.116 -35.008 -17.540
 1096    H    ASN 144           HN       ASN 144 -40.367 -33.308 -18.573
 1097    HA   ASN 144           HA       ASN 144 -42.160 -32.497 -17.409
 1098    HB2  ASN 144           HB2      ASN 144 -40.435 -32.333 -14.950
 1099    HB3  ASN 144           HB1      ASN 144 -42.172 -32.566 -15.052
 1100   HD21  ASN 144          HD21      ASN 144 -39.087 -34.203 -15.112
 1101   HD22  ASN 144          HD22      ASN 144 -39.704 -35.774 -15.299
 1102    H    TYR 145           HN       TYR 145 -39.742 -30.833 -18.491
 1103    HA   TYR 145           HA       TYR 145 -39.502 -28.585 -18.878
 1104    HB2  TYR 145           HB2      TYR 145 -41.523 -27.863 -16.779
 1105    HB3  TYR 145           HB1      TYR 145 -41.179 -27.088 -18.318
 1106    HD1  TYR 145           HD2      TYR 145 -41.400 -28.936 -20.384
 1107    HD2  TYR 145           HD1      TYR 145 -43.611 -28.912 -16.702
 1108    HE1  TYR 145           HE2      TYR 145 -43.214 -30.228 -21.472
 1109    HE2  TYR 145           HE1      TYR 145 -45.421 -30.221 -17.784
 1110    HH   TYR 145           HH       TYR 145 -45.198 -31.969 -20.241
 1111    H    ARG 146           HN       ARG 146 -38.214 -30.194 -16.672
 1112    HA   ARG 146           HA       ARG 146 -37.469 -28.017 -14.821
 1113    HB2  ARG 146           HB2      ARG 146 -37.164 -31.017 -14.591
 1114    HB3  ARG 146           HB1      ARG 146 -36.511 -29.862 -13.429
 1115    HG2  ARG 146           HG2      ARG 146 -38.888 -28.942 -13.217
 1116    HG3  ARG 146           HG1      ARG 146 -39.415 -30.373 -14.104
 1117    HD2  ARG 146           HD2      ARG 146 -37.786 -30.447 -11.556
 1118    HD3  ARG 146           HD1      ARG 146 -39.526 -30.664 -11.619
 1119    HE   ARG 146           HE       ARG 146 -37.487 -32.560 -12.526
 1120   HH11  ARG 146          HH21      ARG 146 -40.821 -31.620 -12.381
 1121   HH12  ARG 146          HH22      ARG 146 -41.423 -33.201 -12.738
 1122   HH21  ARG 146          HH11      ARG 146 -38.277 -34.634 -13.002
 1123   HH22  ARG 146          HH12      ARG 146 -39.986 -34.907 -13.092
 1124    H    GLY 147           HN       GLY 147 -35.180 -27.949 -14.166
 1125    HA2  GLY 147           HA2      GLY 147 -32.865 -28.337 -14.638
 1126    HA3  GLY 147           HA1      GLY 147 -33.305 -28.879 -16.253
 1127    H    ARG 148           HN       ARG 148 -31.288 -27.045 -15.884
 1128    HA   ARG 148           HA       ARG 148 -32.050 -24.344 -16.054
 1129    HB2  ARG 148           HB2      ARG 148 -29.825 -24.099 -17.285
 1130    HB3  ARG 148           HB1      ARG 148 -29.753 -24.812 -15.672
 1131    HG2  ARG 148           HG2      ARG 148 -29.612 -27.045 -16.587
 1132    HG3  ARG 148           HG1      ARG 148 -29.896 -26.438 -18.221
 1133    HD2  ARG 148           HD2      ARG 148 -27.803 -25.238 -18.209
 1134    HD3  ARG 148           HD1      ARG 148 -27.538 -25.609 -16.512
 1135    HE   ARG 148           HE       ARG 148 -27.224 -27.448 -18.782
 1136   HH11  ARG 148          HH21      ARG 148 -27.292 -26.915 -15.350
 1137   HH12  ARG 148          HH22      ARG 148 -26.446 -28.375 -14.972
 1138   HH21  ARG 148          HH11      ARG 148 -26.131 -29.376 -18.273
 1139   HH22  ARG 148          HH12      ARG 148 -25.793 -29.766 -16.620
 1140    H    GLN 149           HN       GLN 149 -32.693 -23.066 -17.711
 1141    HA   GLN 149           HA       GLN 149 -33.611 -24.391 -20.133
 1142    HB2  GLN 149           HB2      GLN 149 -33.994 -21.624 -19.008
 1143    HB3  GLN 149           HB1      GLN 149 -34.577 -22.087 -20.606
 1144    HG2  GLN 149           HG2      GLN 149 -36.445 -22.476 -19.242
 1145    HG3  GLN 149           HG1      GLN 149 -35.720 -24.078 -19.345
 1146   HE21  GLN 149          HE21      GLN 149 -36.935 -21.838 -17.140
 1147   HE22  GLN 149          HE22      GLN 149 -36.145 -22.406 -15.747
 1148    H    TYR 150           HN       TYR 150 -33.055 -23.730 -22.235
 1149    HA   TYR 150           HA       TYR 150 -30.477 -22.268 -22.445
 1150    HB2  TYR 150           HB2      TYR 150 -31.530 -24.639 -23.989
 1151    HB3  TYR 150           HB1      TYR 150 -30.199 -23.643 -24.576
 1152    HD1  TYR 150           HD2      TYR 150 -28.306 -23.151 -22.804
 1153    HD2  TYR 150           HD1      TYR 150 -31.014 -26.481 -22.614
 1154    HE1  TYR 150           HE2      TYR 150 -26.710 -24.366 -21.351
 1155    HE2  TYR 150           HE1      TYR 150 -29.414 -27.698 -21.158
 1156    HH   TYR 150           HH       TYR 150 -26.184 -26.486 -20.566
 1157    H    LEU 151           HN       LEU 151 -30.381 -20.585 -23.800
 1158    HA   LEU 151           HA       LEU 151 -32.359 -20.254 -25.916
 1159    HB2  LEU 151           HB2      LEU 151 -33.238 -19.265 -23.657
 1160    HB3  LEU 151           HB1      LEU 151 -32.061 -17.982 -23.950
 1161    HG   LEU 151           HG       LEU 151 -34.233 -18.846 -25.888
 1162   HD11  LEU 151          HD11      LEU 151 -34.008 -16.326 -24.217
 1163   HD12  LEU 151          HD12      LEU 151 -35.065 -17.687 -23.842
 1164   HD13  LEU 151          HD13      LEU 151 -35.327 -16.747 -25.310
 1165   HD21  LEU 151          HD21      LEU 151 -33.513 -16.543 -26.908
 1166   HD22  LEU 151          HD22      LEU 151 -32.524 -17.961 -27.238
 1167   HD23  LEU 151          HD23      LEU 151 -32.016 -16.801 -26.009
 1168    H    LEU 152           HN       LEU 152 -30.956 -19.984 -27.553
 1169    HA   LEU 152           HA       LEU 152 -28.959 -17.817 -27.311
 1170    HB2  LEU 152           HB2      LEU 152 -27.837 -20.040 -27.150
 1171    HB3  LEU 152           HB1      LEU 152 -28.512 -20.460 -28.722
 1172    HG   LEU 152           HG       LEU 152 -27.348 -18.508 -29.729
 1173   HD11  LEU 152          HD11      LEU 152 -25.400 -17.646 -28.127
 1174   HD12  LEU 152          HD12      LEU 152 -26.556 -18.067 -26.869
 1175   HD13  LEU 152          HD13      LEU 152 -26.990 -16.891 -28.108
 1176   HD21  LEU 152          HD21      LEU 152 -25.635 -20.480 -28.187
 1177   HD22  LEU 152          HD22      LEU 152 -25.025 -19.444 -29.477
 1178   HD23  LEU 152          HD23      LEU 152 -26.249 -20.659 -29.828
 1179    H    ASP 153           HN       ASP 153 -28.785 -16.493 -29.044
 1180    HA   ASP 153           HA       ASP 153 -30.927 -16.386 -30.900
 1181    HB2  ASP 153           HB2      ASP 153 -28.266 -14.964 -30.765
 1182    HB3  ASP 153           HB1      ASP 153 -29.459 -14.634 -32.021
 1183    H    LYS 154           HN       LYS 154 -31.210 -17.727 -32.551
 1184    HA   LYS 154           HA       LYS 154 -29.229 -18.095 -34.548
 1185    HB2  LYS 154           HB2      LYS 154 -29.221 -19.991 -32.356
 1186    HB3  LYS 154           HB1      LYS 154 -29.692 -20.829 -33.828
 1187    HG2  LYS 154           HG2      LYS 154 -27.263 -19.023 -33.722
 1188    HG3  LYS 154           HG1      LYS 154 -27.185 -20.736 -33.325
 1189    HD2  LYS 154           HD2      LYS 154 -28.065 -21.317 -35.538
 1190    HD3  LYS 154           HD1      LYS 154 -28.212 -19.613 -35.951
 1191    HE2  LYS 154           HE2      LYS 154 -26.153 -20.431 -36.909
 1192    HE3  LYS 154           HE1      LYS 154 -25.739 -19.375 -35.557
 1193    HZ1  LYS 154           HZ1      LYS 154 -24.972 -21.085 -34.338
 1194    HZ2  LYS 154           HZ2      LYS 154 -24.771 -21.832 -35.848
 1195    HZ3  LYS 154           HZ3      LYS 154 -26.143 -22.174 -34.906
 1196    H    LYS 155           HN       LYS 155 -30.017 -20.035 -36.042
 1197    HA   LYS 155           HA       LYS 155 -32.969 -20.016 -36.192
 1198    HB2  LYS 155           HB2      LYS 155 -31.722 -18.315 -37.751
 1199    HB3  LYS 155           HB1      LYS 155 -31.300 -19.747 -38.690
 1200    HG2  LYS 155           HG2      LYS 155 -33.663 -20.324 -38.935
 1201    HG3  LYS 155           HG1      LYS 155 -34.127 -18.972 -37.905
 1202    HD2  LYS 155           HD2      LYS 155 -33.201 -17.383 -39.519
 1203    HD3  LYS 155           HD1      LYS 155 -32.662 -18.716 -40.542
 1204    HE2  LYS 155           HE2      LYS 155 -34.773 -17.871 -41.412
 1205    HE3  LYS 155           HE1      LYS 155 -35.038 -19.473 -40.724
 1206    HZ1  LYS 155           HZ1      LYS 155 -35.453 -16.992 -39.166
 1207    HZ2  LYS 155           HZ2      LYS 155 -35.990 -18.561 -38.801
 1208    HZ3  LYS 155           HZ3      LYS 155 -36.687 -17.700 -40.089
 1209    H    GLU 156           HN       GLU 156 -30.332 -21.851 -35.828
 1210    HA   GLU 156           HA       GLU 156 -31.688 -24.231 -36.603
 1211    HB2  GLU 156           HB2      GLU 156 -30.456 -23.058 -38.750
 1212    HB3  GLU 156           HB1      GLU 156 -29.157 -24.091 -38.167
 1213    HG2  GLU 156           HG2      GLU 156 -30.819 -26.005 -38.142
 1214    HG3  GLU 156           HG1      GLU 156 -31.958 -24.938 -38.957
 1215    H    TYR 157           HN       TYR 157 -30.655 -26.117 -35.840
 1216    HA   TYR 157           HA       TYR 157 -28.229 -25.652 -34.223
 1217    HB2  TYR 157           HB2      TYR 157 -30.434 -27.509 -33.416
 1218    HB3  TYR 157           HB1      TYR 157 -29.095 -26.918 -32.437
 1219    HD1  TYR 157           HD2      TYR 157 -28.998 -24.065 -32.765
 1220    HD2  TYR 157           HD1      TYR 157 -32.460 -26.614 -32.685
 1221    HE1  TYR 157           HE2      TYR 157 -30.386 -22.156 -32.039
 1222    HE2  TYR 157           HE1      TYR 157 -33.842 -24.698 -31.968
 1223    HH   TYR 157           HH       TYR 157 -32.670 -21.454 -32.033
 1224    H    ARG 158           HN       ARG 158 -26.663 -26.655 -35.304
 1225    HA   ARG 158           HA       ARG 158 -27.192 -29.348 -36.382
 1226    HB2  ARG 158           HB2      ARG 158 -25.204 -29.015 -37.734
 1227    HB3  ARG 158           HB1      ARG 158 -26.313 -27.670 -37.967
 1228    HG2  ARG 158           HG2      ARG 158 -25.015 -26.356 -36.290
 1229    HG3  ARG 158           HG1      ARG 158 -23.863 -27.691 -36.187
 1230    HD2  ARG 158           HD2      ARG 158 -23.401 -27.497 -38.587
 1231    HD3  ARG 158           HD1      ARG 158 -24.538 -26.157 -38.704
 1232    HE   ARG 158           HE       ARG 158 -21.872 -26.083 -37.519
 1233   HH11  ARG 158          HH21      ARG 158 -24.969 -24.588 -37.936
 1234   HH12  ARG 158          HH22      ARG 158 -24.410 -23.000 -37.530
 1235   HH21  ARG 158          HH11      ARG 158 -21.138 -24.002 -36.976
 1236   HH22  ARG 158          HH12      ARG 158 -22.243 -22.669 -36.986
 1237    H    LYS 159           HN       LYS 159 -25.490 -27.607 -33.940
 1238    HA   LYS 159           HA       LYS 159 -24.070 -30.097 -33.205
 1239    HB2  LYS 159           HB2      LYS 159 -22.395 -28.475 -32.086
 1240    HB3  LYS 159           HB1      LYS 159 -22.320 -28.674 -33.844
 1241    HG2  LYS 159           HG2      LYS 159 -23.704 -26.638 -34.133
 1242    HG3  LYS 159           HG1      LYS 159 -23.749 -26.449 -32.394
 1243    HD2  LYS 159           HD2      LYS 159 -21.365 -26.135 -32.281
 1244    HD3  LYS 159           HD1      LYS 159 -21.201 -26.495 -34.001
 1245    HE2  LYS 159           HE2      LYS 159 -22.675 -24.524 -34.488
 1246    HE3  LYS 159           HE1      LYS 159 -22.642 -24.132 -32.769
 1247    HZ1  LYS 159           HZ1      LYS 159 -20.684 -23.170 -33.023
 1248    HZ2  LYS 159           HZ2      LYS 159 -20.778 -23.434 -34.699
 1249    HZ3  LYS 159           HZ3      LYS 159 -20.020 -24.577 -33.697
 1250    HA   PRO 160           HA       PRO 160 -26.076 -30.016 -29.293
 1251    HB2  PRO 160           HB2      PRO 160 -23.468 -30.236 -27.889
 1252    HB3  PRO 160           HB1      PRO 160 -24.867 -31.330 -27.887
 1253    HG2  PRO 160           HG2      PRO 160 -22.512 -31.774 -29.222
 1254    HG3  PRO 160           HG1      PRO 160 -24.047 -32.569 -29.589
 1255    HD2  PRO 160           HD2      PRO 160 -22.587 -30.562 -31.141
 1256    HD3  PRO 160           HD1      PRO 160 -23.954 -31.596 -31.599
 1257    H    ILE 161           HN       ILE 161 -23.237 -27.950 -29.705
 1258    HA   ILE 161           HA       ILE 161 -23.933 -26.293 -27.412
 1259    HB   ILE 161           HB       ILE 161 -21.756 -25.939 -29.481
 1260   HG12  ILE 161          HG12      ILE 161 -20.484 -26.853 -27.243
 1261   HG13  ILE 161          HG11      ILE 161 -22.000 -27.722 -27.081
 1262   HG21  ILE 161          HG21      ILE 161 -22.382 -24.671 -26.807
 1263   HG22  ILE 161          HG22      ILE 161 -22.003 -23.891 -28.342
 1264   HG23  ILE 161          HG23      ILE 161 -20.733 -24.701 -27.435
 1265   HD11  ILE 161          HD11      ILE 161 -20.259 -27.744 -29.575
 1266   HD12  ILE 161          HD12      ILE 161 -21.708 -28.711 -29.308
 1267   HD13  ILE 161          HD13      ILE 161 -20.266 -29.006 -28.345
 1268    H    ASP 162           HN       ASP 162 -24.925 -26.512 -30.567
 1269    HA   ASP 162           HA       ASP 162 -24.905 -23.884 -31.476
 1270    HB2  ASP 162           HB2      ASP 162 -25.853 -26.183 -32.555
 1271    HB3  ASP 162           HB1      ASP 162 -27.352 -25.464 -32.071
 1272    H    TRP 163           HN       TRP 163 -26.875 -25.429 -29.042
 1273    HA   TRP 163           HA       TRP 163 -28.518 -22.973 -28.810
 1274    HB2  TRP 163           HB2      TRP 163 -29.956 -24.522 -27.322
 1275    HB3  TRP 163           HB1      TRP 163 -30.027 -24.743 -29.074
 1276    HD1  TRP 163           HD1      TRP 163 -27.802 -26.050 -26.216
 1277    HE1  TRP 163           HE1      TRP 163 -27.441 -28.578 -26.588
 1278    HE3  TRP 163           HE3      TRP 163 -30.427 -26.722 -30.527
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.126 -30.572 -28.415
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.533 -28.967 -31.579
 1281    HH2  TRP 163           HH2      TRP 163 -29.370 -30.886 -30.511
 1282    H    GLY 164           HN       GLY 164 -25.710 -23.574 -27.786
 1283    HA2  GLY 164           HA2      GLY 164 -24.539 -22.791 -25.967
 1284    HA3  GLY 164           HA1      GLY 164 -26.066 -22.223 -25.312
 1285    H    ALA 165           HN       ALA 165 -25.455 -25.640 -26.097
 1286    HA   ALA 165           HA       ALA 165 -25.590 -26.228 -23.165
 1287    HB1  ALA 165           HB1      ALA 165 -26.396 -27.912 -25.497
 1288    HB2  ALA 165           HB2      ALA 165 -27.486 -27.165 -24.332
 1289    HB3  ALA 165           HB3      ALA 165 -26.410 -28.455 -23.833
 1290    H    ALA 166           HN       ALA 166 -24.000 -27.347 -22.242
 1291    HA   ALA 166           HA       ALA 166 -21.579 -27.714 -23.728
 1292    HB1  ALA 166           HB1      ALA 166 -22.371 -28.396 -20.896
 1293    HB2  ALA 166           HB2      ALA 166 -21.399 -27.030 -21.440
 1294    HB3  ALA 166           HB3      ALA 166 -20.753 -28.668 -21.549
 1295    H    SER 167           HN       SER 167 -24.072 -29.326 -24.377
 1296    HA   SER 167           HA       SER 167 -22.889 -31.629 -25.277
 1297    HB2  SER 167           HB2      SER 167 -23.636 -31.773 -22.417
 1298    HB3  SER 167           HB1      SER 167 -24.119 -33.157 -23.389
 1299    HG   SER 167           HG       SER 167 -22.092 -33.645 -22.850
 1300    HA   PRO 168           HA       PRO 168 -27.002 -31.995 -26.935
 1301    HB2  PRO 168           HB2      PRO 168 -26.978 -34.525 -27.938
 1302    HB3  PRO 168           HB1      PRO 168 -26.025 -33.211 -28.642
 1303    HG2  PRO 168           HG2      PRO 168 -25.147 -35.393 -26.830
 1304    HG3  PRO 168           HG1      PRO 168 -24.321 -34.702 -28.234
 1305    HD2  PRO 168           HD2      PRO 168 -23.695 -34.021 -25.629
 1306    HD3  PRO 168           HD1      PRO 168 -23.429 -32.954 -27.023
 1307    H    ALA 169           HN       ALA 169 -26.132 -33.450 -24.119
 1308    HA   ALA 169           HA       ALA 169 -28.269 -35.341 -23.811
 1309    HB1  ALA 169           HB1      ALA 169 -26.353 -34.090 -21.833
 1310    HB2  ALA 169           HB2      ALA 169 -26.183 -35.670 -22.596
 1311    HB3  ALA 169           HB3      ALA 169 -27.485 -35.384 -21.439
 1312    H    VAL 170           HN       VAL 170 -29.938 -33.686 -24.509
 1313    HA   VAL 170           HA       VAL 170 -30.687 -31.841 -22.333
 1314    HB   VAL 170           HB       VAL 170 -32.027 -32.060 -25.029
 1315   HG11  VAL 170          HG11      VAL 170 -33.155 -30.188 -24.377
 1316   HG12  VAL 170          HG12      VAL 170 -31.693 -29.411 -23.773
 1317   HG13  VAL 170          HG13      VAL 170 -32.581 -30.525 -22.751
 1318   HG21  VAL 170          HG21      VAL 170 -30.443 -30.194 -25.719
 1319   HG22  VAL 170          HG22      VAL 170 -29.702 -31.786 -25.568
 1320   HG23  VAL 170          HG23      VAL 170 -29.477 -30.588 -24.295
 1321    H    GLN 171           HN       GLN 171 -33.484 -31.904 -23.394
 1322    HA   GLN 171           HA       GLN 171 -34.450 -34.537 -22.901
 1323    HB2  GLN 171           HB2      GLN 171 -33.875 -33.286 -20.611
 1324    HB3  GLN 171           HB1      GLN 171 -35.464 -32.605 -20.857
 1325    HG2  GLN 171           HG2      GLN 171 -35.902 -34.562 -19.653
 1326    HG3  GLN 171           HG1      GLN 171 -36.218 -35.055 -21.302
 1327   HE21  GLN 171          HE21      GLN 171 -34.386 -36.235 -22.422
 1328   HE22  GLN 171          HE22      GLN 171 -33.315 -37.152 -21.476
 1329    H    SER 172           HN       SER 172 -36.915 -32.888 -21.732
 1330    HA   SER 172           HA       SER 172 -38.130 -32.621 -24.374
 1331    HB2  SER 172           HB2      SER 172 -39.577 -32.274 -21.788
 1332    HB3  SER 172           HB1      SER 172 -40.147 -32.914 -23.322
 1333    HG   SER 172           HG       SER 172 -39.760 -34.742 -22.330
 1334    H    PHE 173           HN       PHE 173 -40.214 -30.862 -23.486
 1335    HA   PHE 173           HA       PHE 173 -39.064 -28.371 -22.735
 1336    HB2  PHE 173           HB2      PHE 173 -39.256 -27.258 -24.956
 1337    HB3  PHE 173           HB1      PHE 173 -37.990 -28.496 -24.901
 1338    HD1  PHE 173           HD1      PHE 173 -41.537 -27.903 -25.914
 1339    HD2  PHE 173           HD2      PHE 173 -38.043 -30.365 -26.324
 1340    HE1  PHE 173           HE1      PHE 173 -42.612 -29.130 -27.779
 1341    HE2  PHE 173           HE2      PHE 173 -39.122 -31.590 -28.184
 1342    HZ   PHE 173           HZ       PHE 173 -41.407 -30.976 -28.915
 1343    H    ARG 174           HN       ARG 174 -40.630 -26.535 -23.676
 1344    HA   ARG 174           HA       ARG 174 -43.371 -27.394 -23.922
 1345    HB2  ARG 174           HB2      ARG 174 -44.046 -26.033 -21.863
 1346    HB3  ARG 174           HB1      ARG 174 -43.332 -27.618 -21.579
 1347    HG2  ARG 174           HG2      ARG 174 -41.273 -26.721 -20.889
 1348    HG3  ARG 174           HG1      ARG 174 -41.565 -25.178 -21.678
 1349    HD2  ARG 174           HD2      ARG 174 -43.114 -26.188 -19.280
 1350    HD3  ARG 174           HD1      ARG 174 -41.775 -25.041 -19.205
 1351    HE   ARG 174           HE       ARG 174 -43.518 -23.927 -20.998
 1352   HH11  ARG 174          HH21      ARG 174 -43.688 -25.112 -17.756
 1353   HH12  ARG 174          HH22      ARG 174 -44.926 -24.006 -17.268
 1354   HH21  ARG 174          HH11      ARG 174 -45.138 -22.470 -20.371
 1355   HH22  ARG 174          HH12      ARG 174 -45.748 -22.508 -18.750
 1356    H    ARG 175           HN       ARG 175 -44.478 -25.940 -25.084
 1357    HA   ARG 175           HA       ARG 175 -43.317 -23.769 -26.309
 1358    HB2  ARG 175           HB2      ARG 175 -45.620 -23.031 -26.832
 1359    HB3  ARG 175           HB1      ARG 175 -45.437 -24.767 -27.059
 1360    HG2  ARG 175           HG2      ARG 175 -46.360 -25.119 -24.761
 1361    HG3  ARG 175           HG1      ARG 175 -46.687 -23.391 -24.678
 1362    HD2  ARG 175           HD2      ARG 175 -48.124 -23.554 -26.670
 1363    HD3  ARG 175           HD1      ARG 175 -47.808 -25.286 -26.752
 1364    HE   ARG 175           HE       ARG 175 -48.844 -24.481 -24.193
 1365   HH11  ARG 175          HH21      ARG 175 -49.626 -25.263 -27.468
 1366   HH12  ARG 175          HH22      ARG 175 -51.236 -25.786 -27.104
 1367   HH21  ARG 175          HH11      ARG 175 -50.953 -25.169 -23.704
 1368   HH22  ARG 175          HH12      ARG 175 -51.987 -25.735 -24.973
 1369    H    ILE 176           HN       ILE 176 -42.865 -21.750 -25.805
 1370    HA   ILE 176           HA       ILE 176 -43.014 -20.839 -23.114
 1371    HB   ILE 176           HB       ILE 176 -42.605 -19.100 -25.555
 1372   HG12  ILE 176          HG12      ILE 176 -40.627 -20.863 -24.082
 1373   HG13  ILE 176          HG11      ILE 176 -41.135 -21.035 -25.761
 1374   HG21  ILE 176          HG21      ILE 176 -41.380 -17.697 -24.045
 1375   HG22  ILE 176          HG22      ILE 176 -41.399 -18.928 -22.783
 1376   HG23  ILE 176          HG23      ILE 176 -42.889 -18.098 -23.228
 1377   HD11  ILE 176          HD11      ILE 176 -39.403 -18.913 -24.523
 1378   HD12  ILE 176          HD12      ILE 176 -40.314 -18.566 -25.987
 1379   HD13  ILE 176          HD13      ILE 176 -39.128 -19.865 -25.981
 1380    H    VAL 177           HN       VAL 177 -44.525 -19.650 -22.081
 1381    HA   VAL 177           HA       VAL 177 -46.690 -18.402 -23.651
 1382    HB   VAL 177           HB       VAL 177 -48.336 -19.293 -21.990
 1383   HG11  VAL 177          HG11      VAL 177 -48.378 -21.584 -22.957
 1384   HG12  VAL 177          HG12      VAL 177 -46.743 -21.333 -23.574
 1385   HG13  VAL 177          HG13      VAL 177 -48.076 -20.356 -24.187
 1386   HG21  VAL 177          HG21      VAL 177 -46.713 -19.792 -20.191
 1387   HG22  VAL 177          HG22      VAL 177 -45.980 -21.038 -21.199
 1388   HG23  VAL 177          HG23      VAL 177 -47.635 -21.232 -20.623
 1389    H    GLU 178           HN       GLU 178 -47.901 -16.817 -22.447
 1390    HA   GLU 178           HA       GLU 178 -47.154 -15.968 -19.843
 1391    HB2  GLU 178           HB2      GLU 178 -45.105 -15.307 -21.151
 1392    HB3  GLU 178           HB1      GLU 178 -46.128 -14.212 -22.080
 1393    HG2  GLU 178           HG2      GLU 178 -46.024 -14.112 -19.063
 1394    HG3  GLU 178           HG1      GLU 178 -44.885 -13.217 -20.061
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1 -45.551   1.237 -17.750
    2    H2   GLY   1           HT2      GLY   1 -44.379   1.957 -16.752
    3    H3   GLY   1           HT3      GLY   1 -45.979   1.793 -16.206
    4    HA2  GLY   1           HA2      GLY   1 -44.077  -0.419 -16.750
    5    HA3  GLY   1           HA1      GLY   1 -44.609   0.129 -15.159
    6    H    SER   2           HN       SER   2 -44.948  -2.510 -16.376
    7    HA   SER   2           HA       SER   2 -46.555  -4.146 -16.547
    8    HB2  SER   2           HB2      SER   2 -48.472  -2.196 -15.282
    9    HB3  SER   2           HB1      SER   2 -48.482  -3.954 -15.184
   10    HG   SER   2           HG       SER   2 -47.606  -3.010 -13.302
   11    H    LYS   3           HN       LYS   3 -47.648  -4.786 -18.310
   12    HA   LYS   3           HA       LYS   3 -48.999  -4.770 -20.150
   13    HB2  LYS   3           HB2      LYS   3 -50.029  -2.071 -19.267
   14    HB3  LYS   3           HB1      LYS   3 -50.808  -3.226 -20.340
   15    HG2  LYS   3           HG2      LYS   3 -50.830  -4.873 -18.425
   16    HG3  LYS   3           HG1      LYS   3 -50.287  -3.563 -17.374
   17    HD2  LYS   3           HD2      LYS   3 -52.791  -3.424 -19.076
   18    HD3  LYS   3           HD1      LYS   3 -52.785  -3.915 -17.384
   19    HE2  LYS   3           HE2      LYS   3 -51.612  -1.695 -16.888
   20    HE3  LYS   3           HE1      LYS   3 -52.032  -1.221 -18.535
   21    HZ1  LYS   3           HZ1      LYS   3 -53.973  -0.599 -17.699
   22    HZ2  LYS   3           HZ2      LYS   3 -53.691  -1.383 -16.216
   23    HZ3  LYS   3           HZ3      LYS   3 -54.341  -2.246 -17.527
   24    H    THR   4           HN       THR   4 -47.129  -1.914 -19.386
   25    HA   THR   4           HA       THR   4 -46.780  -1.358 -22.279
   26    HB   THR   4           HB       THR   4 -45.901   0.857 -21.444
   27    HG1  THR   4           HG1      THR   4 -46.112   1.332 -19.355
   28   HG21  THR   4          HG21      THR   4 -48.193   1.727 -20.921
   29   HG22  THR   4          HG22      THR   4 -48.755   0.059 -20.807
   30   HG23  THR   4          HG23      THR   4 -48.153   0.685 -22.343
   31    H    GLY   5           HN       GLY   5 -44.993  -2.258 -23.056
   32    HA2  GLY   5           HA2      GLY   5 -42.813  -2.963 -23.262
   33    HA3  GLY   5           HA1      GLY   5 -42.412  -1.622 -22.193
   34    H    THR   6           HN       THR   6 -41.099  -4.158 -22.190
   35    HA   THR   6           HA       THR   6 -42.101  -5.696 -19.959
   36    HB   THR   6           HB       THR   6 -40.305  -7.165 -20.377
   37    HG1  THR   6           HG1      THR   6 -39.116  -4.846 -21.392
   38   HG21  THR   6          HG21      THR   6 -40.390  -7.506 -22.796
   39   HG22  THR   6          HG22      THR   6 -40.966  -5.855 -23.029
   40   HG23  THR   6          HG23      THR   6 -41.983  -7.037 -22.203
   41    H    LYS   7           HN       LYS   7 -40.890  -6.049 -18.004
   42    HA   LYS   7           HA       LYS   7 -38.754  -4.246 -17.288
   43    HB2  LYS   7           HB2      LYS   7 -40.380  -2.612 -16.893
   44    HB3  LYS   7           HB1      LYS   7 -41.540  -3.787 -16.270
   45    HG2  LYS   7           HG2      LYS   7 -40.406  -3.998 -14.211
   46    HG3  LYS   7           HG1      LYS   7 -38.916  -3.300 -14.850
   47    HD2  LYS   7           HD2      LYS   7 -39.803  -1.115 -14.850
   48    HD3  LYS   7           HD1      LYS   7 -41.459  -1.690 -14.705
   49    HE2  LYS   7           HE2      LYS   7 -41.133  -2.353 -12.437
   50    HE3  LYS   7           HE1      LYS   7 -39.388  -2.197 -12.560
   51    HZ1  LYS   7           HZ1      LYS   7 -39.799   0.224 -13.018
   52    HZ2  LYS   7           HZ2      LYS   7 -40.162  -0.290 -11.441
   53    HZ3  LYS   7           HZ3      LYS   7 -41.412  -0.032 -12.561
   54    H    ILE   8           HN       ILE   8 -37.727  -4.755 -15.350
   55    HA   ILE   8           HA       ILE   8 -38.722  -7.029 -13.820
   56    HB   ILE   8           HB       ILE   8 -37.320  -7.955 -15.680
   57   HG12  ILE   8          HG12      ILE   8 -35.903  -8.363 -13.043
   58   HG13  ILE   8          HG11      ILE   8 -37.553  -8.918 -13.247
   59   HG21  ILE   8          HG21      ILE   8 -34.881  -7.654 -15.470
   60   HG22  ILE   8          HG22      ILE   8 -35.124  -6.426 -14.254
   61   HG23  ILE   8          HG23      ILE   8 -35.698  -6.154 -15.902
   62   HD11  ILE   8          HD11      ILE   8 -35.634 -10.579 -13.798
   63   HD12  ILE   8          HD12      ILE   8 -35.446  -9.637 -15.277
   64   HD13  ILE   8          HD13      ILE   8 -36.974 -10.450 -14.936
   65    H    THR   9           HN       THR   9 -38.096  -7.094 -11.702
   66    HA   THR   9           HA       THR   9 -36.178  -5.032 -10.837
   67    HB   THR   9           HB       THR   9 -38.702  -5.811  -9.356
   68    HG1  THR   9           HG1      THR   9 -38.724  -3.301 -10.100
   69   HG21  THR   9          HG21      THR   9 -36.824  -3.473  -8.939
   70   HG22  THR   9          HG22      THR   9 -36.692  -4.982  -8.040
   71   HG23  THR   9          HG23      THR   9 -38.140  -3.990  -7.888
   72    H    PHE  10           HN       PHE  10 -34.735  -5.642  -9.309
   73    HA   PHE  10           HA       PHE  10 -34.896  -8.441  -8.332
   74    HB2  PHE  10           HB2      PHE  10 -32.413  -6.804  -8.896
   75    HB3  PHE  10           HB1      PHE  10 -32.474  -8.503  -8.432
   76    HD1  PHE  10           HD2      PHE  10 -33.565 -10.162 -10.001
   77    HD2  PHE  10           HD1      PHE  10 -32.692  -6.128 -11.165
   78    HE1  PHE  10           HE2      PHE  10 -33.785 -10.806 -12.381
   79    HE2  PHE  10           HE1      PHE  10 -32.907  -6.773 -13.553
   80    HZ   PHE  10           HZ       PHE  10 -33.455  -9.112 -14.159
   81    H    TYR  11           HN       TYR  11 -35.355  -8.426  -6.192
   82    HA   TYR  11           HA       TYR  11 -34.587  -6.118  -4.558
   83    HB2  TYR  11           HB2      TYR  11 -36.420  -8.471  -4.092
   84    HB3  TYR  11           HB1      TYR  11 -36.057  -7.263  -2.869
   85    HD1  TYR  11           HD1      TYR  11 -37.595  -7.814  -6.193
   86    HD2  TYR  11           HD2      TYR  11 -36.990  -5.058  -2.956
   87    HE1  TYR  11           HE1      TYR  11 -39.359  -6.339  -7.119
   88    HE2  TYR  11           HE2      TYR  11 -38.751  -3.578  -3.887
   89    HH   TYR  11           HH       TYR  11 -40.197  -3.251  -5.540
   90    H    GLU  12           HN       GLU  12 -33.183  -6.204  -2.944
   91    HA   GLU  12           HA       GLU  12 -31.194  -8.176  -2.949
   92    HB2  GLU  12           HB2      GLU  12 -31.223  -5.719  -2.030
   93    HB3  GLU  12           HB1      GLU  12 -31.744  -6.483  -0.527
   94    HG2  GLU  12           HG2      GLU  12 -29.282  -7.369  -2.066
   95    HG3  GLU  12           HG1      GLU  12 -29.231  -6.151  -0.808
   96    H    ASP  13           HN       ASP  13 -33.830  -7.574  -0.633
   97    HA   ASP  13           HA       ASP  13 -33.387 -10.233   0.524
   98    HB2  ASP  13           HB2      ASP  13 -34.839  -7.794   1.449
   99    HB3  ASP  13           HB1      ASP  13 -35.158  -9.366   2.182
  100    H    LYS  14           HN       LYS  14 -35.713 -11.013   1.368
  101    HA   LYS  14           HA       LYS  14 -37.062 -11.793  -1.081
  102    HB2  LYS  14           HB2      LYS  14 -37.407 -12.619   1.795
  103    HB3  LYS  14           HB1      LYS  14 -38.362 -13.269   0.461
  104    HG2  LYS  14           HG2      LYS  14 -36.670 -14.851   0.486
  105    HG3  LYS  14           HG1      LYS  14 -35.922 -13.694  -0.597
  106    HD2  LYS  14           HD2      LYS  14 -34.201 -14.054   0.937
  107    HD3  LYS  14           HD1      LYS  14 -34.983 -12.644   1.640
  108    HE2  LYS  14           HE2      LYS  14 -36.236 -14.060   3.182
  109    HE3  LYS  14           HE1      LYS  14 -35.573 -15.509   2.430
  110    HZ1  LYS  14           HZ1      LYS  14 -33.736 -13.471   3.456
  111    HZ2  LYS  14           HZ2      LYS  14 -33.519 -15.150   3.316
  112    HZ3  LYS  14           HZ3      LYS  14 -34.492 -14.517   4.557
  113    H    ASN  15           HN       ASN  15 -39.553 -12.189  -0.546
  114    HA   ASN  15           HA       ASN  15 -41.564 -11.119  -0.690
  115    HB2  ASN  15           HB2      ASN  15 -40.621  -9.636   1.765
  116    HB3  ASN  15           HB1      ASN  15 -42.260 -10.111   1.344
  117   HD21  ASN  15          HD21      ASN  15 -40.905 -12.794   0.391
  118   HD22  ASN  15          HD22      ASN  15 -40.768 -13.660   1.846
  119    H    PHE  16           HN       PHE  16 -39.154  -9.735  -1.895
  120    HA   PHE  16           HA       PHE  16 -38.686  -7.815  -2.988
  121    HB2  PHE  16           HB2      PHE  16 -41.451  -6.763  -2.551
  122    HB3  PHE  16           HB1      PHE  16 -40.441  -6.703  -3.997
  123    HD1  PHE  16           HD2      PHE  16 -39.982  -8.830  -5.248
  124    HD2  PHE  16           HD1      PHE  16 -43.002  -8.540  -2.220
  125    HE1  PHE  16           HE2      PHE  16 -41.074 -10.860  -6.143
  126    HE2  PHE  16           HE1      PHE  16 -44.097 -10.579  -3.111
  127    HZ   PHE  16           HZ       PHE  16 -43.131 -11.746  -5.071
  128    H    GLN  17           HN       GLN  17 -37.959  -7.802  -0.326
  129    HA   GLN  17           HA       GLN  17 -38.565  -5.033   0.520
  130    HB2  GLN  17           HB2      GLN  17 -38.372  -5.687   2.782
  131    HB3  GLN  17           HB1      GLN  17 -39.329  -6.961   2.032
  132    HG2  GLN  17           HG2      GLN  17 -37.049  -8.136   1.663
  133    HG3  GLN  17           HG1      GLN  17 -36.442  -7.015   2.883
  134   HE21  GLN  17          HE21      GLN  17 -38.667  -9.736   2.339
  135   HE22  GLN  17          HE22      GLN  17 -38.885 -10.098   3.988
  136    H    GLY  18           HN       GLY  18 -36.862  -3.952   1.664
  137    HA2  GLY  18           HA2      GLY  18 -34.635  -3.345   2.026
  138    HA3  GLY  18           HA1      GLY  18 -34.135  -4.854   1.298
  139    H    ARG  19           HN       ARG  19 -32.575  -3.855   0.097
  140    HA   ARG  19           HA       ARG  19 -32.871  -1.649  -1.614
  141    HB2  ARG  19           HB2      ARG  19 -30.854  -3.611  -1.081
  142    HB3  ARG  19           HB1      ARG  19 -31.039  -3.533  -2.828
  143    HG2  ARG  19           HG2      ARG  19 -30.676  -1.077  -1.089
  144    HG3  ARG  19           HG1      ARG  19 -29.336  -1.929  -1.849
  145    HD2  ARG  19           HD2      ARG  19 -30.430  -1.597  -4.069
  146    HD3  ARG  19           HD1      ARG  19 -31.681  -0.641  -3.284
  147    HE   ARG  19           HE       ARG  19 -28.913   0.157  -3.750
  148   HH11  ARG  19          HH21      ARG  19 -31.929   0.724  -2.140
  149   HH12  ARG  19          HH22      ARG  19 -31.601   2.394  -1.823
  150   HH21  ARG  19          HH11      ARG  19 -28.478   2.341  -3.330
  151   HH22  ARG  19          HH12      ARG  19 -29.646   3.309  -2.498
  152    H    ARG  20           HN       ARG  20 -32.704  -1.869  -4.157
  153    HA   ARG  20           HA       ARG  20 -33.934  -4.090  -5.366
  154    HB2  ARG  20           HB2      ARG  20 -36.087  -3.196  -5.918
  155    HB3  ARG  20           HB1      ARG  20 -35.906  -3.084  -4.170
  156    HG2  ARG  20           HG2      ARG  20 -36.485  -0.876  -4.439
  157    HG3  ARG  20           HG1      ARG  20 -34.828  -0.660  -4.992
  158    HD2  ARG  20           HD2      ARG  20 -35.745  -1.329  -7.327
  159    HD3  ARG  20           HD1      ARG  20 -37.329  -0.999  -6.638
  160    HE   ARG  20           HE       ARG  20 -35.465   1.150  -6.199
  161   HH11  ARG  20          HH21      ARG  20 -37.662  -0.355  -8.390
  162   HH12  ARG  20          HH22      ARG  20 -37.998   1.094  -9.278
  163   HH21  ARG  20          HH11      ARG  20 -35.891   3.069  -7.352
  164   HH22  ARG  20          HH12      ARG  20 -36.991   3.038  -8.689
  165    H    TYR  21           HN       TYR  21 -34.071  -3.789  -7.697
  166    HA   TYR  21           HA       TYR  21 -32.868  -1.281  -8.712
  167    HB2  TYR  21           HB2      TYR  21 -31.084  -3.013  -8.566
  168    HB3  TYR  21           HB1      TYR  21 -32.060  -4.069  -9.586
  169    HD1  TYR  21           HD1      TYR  21 -30.598  -0.617  -9.499
  170    HD2  TYR  21           HD2      TYR  21 -31.875  -3.924 -11.921
  171    HE1  TYR  21           HE1      TYR  21 -29.714   0.520 -11.517
  172    HE2  TYR  21           HE2      TYR  21 -30.999  -2.783 -13.941
  173    HH   TYR  21           HH       TYR  21 -29.209  -1.035 -14.428
  174    H    ASP  22           HN       ASP  22 -33.856  -0.533 -10.519
  175    HA   ASP  22           HA       ASP  22 -36.024  -2.186 -11.672
  176    HB2  ASP  22           HB2      ASP  22 -36.920  -0.077 -12.534
  177    HB3  ASP  22           HB1      ASP  22 -36.683   0.015 -10.791
  178    H    CYS  23           HN       CYS  23 -36.261  -2.347 -13.970
  179    HA   CYS  23           HA       CYS  23 -34.319  -1.231 -15.734
  180    HB2  CYS  23           HB2      CYS  23 -33.892  -3.995 -16.266
  181    HB3  CYS  23           HB1      CYS  23 -32.718  -2.834 -15.655
  182    HG   CYS  23           HG       CYS  23 -33.208  -4.975 -14.007
  183    H    ASP  24           HN       ASP  24 -35.312  -0.904 -17.592
  184    HA   ASP  24           HA       ASP  24 -37.449  -2.762 -18.435
  185    HB2  ASP  24           HB2      ASP  24 -38.787  -0.963 -19.184
  186    HB3  ASP  24           HB1      ASP  24 -38.231  -0.483 -17.585
  187    H    CYS  25           HN       CYS  25 -34.431  -2.155 -19.074
  188    HA   CYS  25           HA       CYS  25 -34.741  -2.640 -21.947
  189    HB2  CYS  25           HB2      CYS  25 -34.529  -0.106 -21.493
  190    HB3  CYS  25           HB1      CYS  25 -32.857  -0.459 -21.065
  191    HG   CYS  25           HG       CYS  25 -33.886  -0.277 -23.871
  192    H    ASP  26           HN       ASP  26 -33.001  -3.722 -22.868
  193    HA   ASP  26           HA       ASP  26 -31.587  -5.568 -21.496
  194    HB2  ASP  26           HB2      ASP  26 -29.955  -5.597 -23.326
  195    HB3  ASP  26           HB1      ASP  26 -31.594  -5.404 -23.952
  196    H    CYS  27           HN       CYS  27 -29.363  -5.753 -20.784
  197    HA   CYS  27           HA       CYS  27 -27.846  -3.344 -20.262
  198    HB2  CYS  27           HB2      CYS  27 -29.354  -3.153 -18.405
  199    HB3  CYS  27           HB1      CYS  27 -29.183  -4.861 -18.011
  200    HG   CYS  27           HG       CYS  27 -26.960  -2.716 -17.561
  201    H    ALA  28           HN       ALA  28 -25.776  -3.878 -19.116
  202    HA   ALA  28           HA       ALA  28 -24.799  -6.481 -20.063
  203    HB1  ALA  28           HB1      ALA  28 -22.578  -5.559 -19.672
  204    HB2  ALA  28           HB2      ALA  28 -23.283  -4.129 -18.916
  205    HB3  ALA  28           HB3      ALA  28 -23.538  -4.434 -20.635
  206    H    ASP  29           HN       ASP  29 -24.487  -4.491 -17.125
  207    HA   ASP  29           HA       ASP  29 -24.820  -6.844 -15.428
  208    HB2  ASP  29           HB2      ASP  29 -22.405  -6.841 -15.965
  209    HB3  ASP  29           HB1      ASP  29 -22.286  -5.199 -15.329
  210    H    PHE  30           HN       PHE  30 -26.342  -6.130 -14.099
  211    HA   PHE  30           HA       PHE  30 -26.239  -3.362 -13.074
  212    HB2  PHE  30           HB2      PHE  30 -28.537  -3.438 -12.849
  213    HB3  PHE  30           HB1      PHE  30 -28.353  -4.633 -14.131
  214    HD1  PHE  30           HD2      PHE  30 -28.244  -7.081 -13.513
  215    HD2  PHE  30           HD1      PHE  30 -29.351  -4.048 -10.705
  216    HE1  PHE  30           HE2      PHE  30 -29.258  -8.808 -12.051
  217    HE2  PHE  30           HE1      PHE  30 -30.365  -5.762  -9.237
  218    HZ   PHE  30           HZ       PHE  30 -30.334  -8.149  -9.914
  219    H    HIS  31           HN       HIS  31 -24.873  -6.100 -12.240
  220    HA   HIS  31           HA       HIS  31 -25.678  -6.681  -9.614
  221    HB2  HIS  31           HB2      HIS  31 -24.197  -8.163 -10.869
  222    HB3  HIS  31           HB1      HIS  31 -22.932  -6.931 -10.857
  223    HD2  HIS  31           HD2      HIS  31 -21.397  -6.889  -8.527
  224    HE1  HIS  31           HE1      HIS  31 -23.758  -9.551  -6.255
  225    HE2  HIS  31           HE2      HIS  31 -21.591  -8.227  -6.293
  226    H    THR  32           HN       THR  32 -23.717  -4.157 -10.931
  227    HA   THR  32           HA       THR  32 -22.378  -3.343  -8.590
  228    HB   THR  32           HB       THR  32 -22.175  -1.136  -9.688
  229    HG1  THR  32           HG1      THR  32 -23.948  -0.730 -10.783
  230   HG21  THR  32          HG21      THR  32 -21.853  -3.407 -11.659
  231   HG22  THR  32          HG22      THR  32 -20.747  -3.109 -10.318
  232   HG23  THR  32          HG23      THR  32 -20.925  -1.909 -11.599
  233    H    TYR  33           HN       TYR  33 -25.658  -2.880  -9.654
  234    HA   TYR  33           HA       TYR  33 -26.225  -0.869  -7.609
  235    HB2  TYR  33           HB2      TYR  33 -28.020  -2.226  -9.617
  236    HB3  TYR  33           HB1      TYR  33 -28.487  -0.903  -8.553
  237    HD1  TYR  33           HD2      TYR  33 -26.987   1.253  -8.641
  238    HD2  TYR  33           HD1      TYR  33 -27.121  -1.724 -11.727
  239    HE1  TYR  33           HE2      TYR  33 -26.066   2.889 -10.261
  240    HE2  TYR  33           HE1      TYR  33 -26.196  -0.094 -13.347
  241    HH   TYR  33           HH       TYR  33 -24.801   2.009 -13.240
  242    H    LEU  34           HN       LEU  34 -26.209  -4.253  -7.856
  243    HA   LEU  34           HA       LEU  34 -27.640  -4.461  -5.304
  244    HB2  LEU  34           HB2      LEU  34 -29.201  -4.905  -7.306
  245    HB3  LEU  34           HB1      LEU  34 -28.274  -6.378  -7.540
  246    HG   LEU  34           HG       LEU  34 -28.766  -7.002  -5.177
  247   HD11  LEU  34          HD11      LEU  34 -29.333  -5.199  -3.881
  248   HD12  LEU  34          HD12      LEU  34 -30.967  -5.598  -4.396
  249   HD13  LEU  34          HD13      LEU  34 -30.070  -4.325  -5.223
  250   HD21  LEU  34          HD21      LEU  34 -30.158  -8.037  -6.791
  251   HD22  LEU  34          HD22      LEU  34 -31.014  -6.532  -7.122
  252   HD23  LEU  34          HD23      LEU  34 -31.282  -7.377  -5.603
  253    H    SER  35           HN       SER  35 -26.821  -5.994  -3.956
  254    HA   SER  35           HA       SER  35 -24.404  -7.406  -4.908
  255    HB2  SER  35           HB2      SER  35 -25.372  -6.633  -2.159
  256    HB3  SER  35           HB1      SER  35 -23.986  -7.684  -2.433
  257    HG   SER  35           HG       SER  35 -24.260  -5.145  -3.656
  258    H    ARG  36           HN       ARG  36 -27.656  -7.960  -4.235
  259    HA   ARG  36           HA       ARG  36 -27.258 -10.838  -4.376
  260    HB2  ARG  36           HB2      ARG  36 -27.213 -10.107  -1.892
  261    HB3  ARG  36           HB1      ARG  36 -28.932  -9.791  -2.105
  262    HG2  ARG  36           HG2      ARG  36 -29.194 -12.147  -2.945
  263    HG3  ARG  36           HG1      ARG  36 -27.511 -12.435  -2.497
  264    HD2  ARG  36           HD2      ARG  36 -29.686 -11.505  -0.602
  265    HD3  ARG  36           HD1      ARG  36 -29.070 -13.151  -0.704
  266    HE   ARG  36           HE       ARG  36 -27.723 -10.858   0.486
  267   HH11  ARG  36          HH21      ARG  36 -27.506 -14.076  -0.768
  268   HH12  ARG  36          HH22      ARG  36 -26.046 -14.456   0.082
  269   HH21  ARG  36          HH11      ARG  36 -25.810 -11.350   1.603
  270   HH22  ARG  36          HH12      ARG  36 -25.087 -12.912   1.426
  271    H    CYS  37           HN       CYS  37 -28.952 -11.878  -5.288
  272    HA   CYS  37           HA       CYS  37 -31.261 -10.206  -6.111
  273    HB2  CYS  37           HB2      CYS  37 -30.417 -12.736  -7.485
  274    HB3  CYS  37           HB1      CYS  37 -31.281 -11.344  -8.139
  275    HG   CYS  37           HG       CYS  37 -29.004 -10.702  -8.939
  276    H    ASN  38           HN       ASN  38 -32.855 -10.586  -4.753
  277    HA   ASN  38           HA       ASN  38 -33.601 -13.378  -4.121
  278    HB2  ASN  38           HB2      ASN  38 -33.833 -10.842  -2.508
  279    HB3  ASN  38           HB1      ASN  38 -34.707 -12.314  -2.098
  280   HD21  ASN  38          HD21      ASN  38 -33.182 -11.911  -0.074
  281   HD22  ASN  38          HD22      ASN  38 -31.672 -12.692  -0.137
  282    H    SER  39           HN       SER  39 -36.146 -12.517  -3.045
  283    HA   SER  39           HA       SER  39 -38.018 -12.954  -4.751
  284    HB2  SER  39           HB2      SER  39 -39.357 -10.999  -3.840
  285    HB3  SER  39           HB1      SER  39 -38.668 -12.092  -2.666
  286    HG   SER  39           HG       SER  39 -37.837  -9.508  -3.413
  287    H    ILE  40           HN       ILE  40 -38.965 -12.316  -6.525
  288    HA   ILE  40           HA       ILE  40 -38.161  -9.804  -7.870
  289    HB   ILE  40           HB       ILE  40 -37.707 -12.609  -8.852
  290   HG12  ILE  40          HG12      ILE  40 -35.925 -10.246  -9.410
  291   HG13  ILE  40          HG11      ILE  40 -35.964 -10.885  -7.783
  292   HG21  ILE  40          HG21      ILE  40 -37.242 -11.453 -11.133
  293   HG22  ILE  40          HG22      ILE  40 -38.286 -10.171 -10.520
  294   HG23  ILE  40          HG23      ILE  40 -38.914 -11.809 -10.702
  295   HD11  ILE  40          HD11      ILE  40 -35.526 -13.187  -8.822
  296   HD12  ILE  40          HD12      ILE  40 -34.198 -12.042  -8.852
  297   HD13  ILE  40          HD13      ILE  40 -35.157 -12.314 -10.309
  298    H    LYS  41           HN       LYS  41 -39.622  -8.984  -9.270
  299    HA   LYS  41           HA       LYS  41 -41.941 -10.532 -10.125
  300    HB2  LYS  41           HB2      LYS  41 -43.477  -8.668  -9.200
  301    HB3  LYS  41           HB1      LYS  41 -42.899  -9.916  -8.100
  302    HG2  LYS  41           HG2      LYS  41 -41.339  -8.502  -7.113
  303    HG3  LYS  41           HG1      LYS  41 -41.327  -7.381  -8.438
  304    HD2  LYS  41           HD2      LYS  41 -42.559  -6.621  -6.326
  305    HD3  LYS  41           HD1      LYS  41 -43.436  -6.472  -7.844
  306    HE2  LYS  41           HE2      LYS  41 -44.848  -8.259  -7.358
  307    HE3  LYS  41           HE1      LYS  41 -43.719  -8.997  -6.219
  308    HZ1  LYS  41           HZ1      LYS  41 -44.679  -7.898  -4.573
  309    HZ2  LYS  41           HZ2      LYS  41 -45.832  -7.284  -5.660
  310    HZ3  LYS  41           HZ3      LYS  41 -44.411  -6.408  -5.341
  311    H    VAL  42           HN       VAL  42 -41.577 -10.102 -12.255
  312    HA   VAL  42           HA       VAL  42 -40.740  -7.587 -13.183
  313    HB   VAL  42           HB       VAL  42 -41.440  -8.571 -15.420
  314   HG11  VAL  42          HG11      VAL  42 -39.786 -10.571 -15.166
  315   HG12  VAL  42          HG12      VAL  42 -39.570  -9.974 -13.519
  316   HG13  VAL  42          HG13      VAL  42 -39.187  -8.948 -14.895
  317   HG21  VAL  42          HG21      VAL  42 -43.250  -9.952 -14.584
  318   HG22  VAL  42          HG22      VAL  42 -42.114 -10.916 -13.641
  319   HG23  VAL  42          HG23      VAL  42 -42.025 -10.935 -15.394
  320    H    GLU  43           HN       GLU  43 -41.858  -5.927 -14.086
  321    HA   GLU  43           HA       GLU  43 -44.784  -5.935 -13.643
  322    HB2  GLU  43           HB2      GLU  43 -42.787  -3.663 -13.694
  323    HB3  GLU  43           HB1      GLU  43 -44.530  -3.469 -13.518
  324    HG2  GLU  43           HG2      GLU  43 -44.461  -4.903 -11.493
  325    HG3  GLU  43           HG1      GLU  43 -42.714  -5.016 -11.652
  326    H    GLY  44           HN       GLY  44 -44.090  -7.157 -15.950
  327    HA2  GLY  44           HA2      GLY  44 -45.219  -5.407 -17.933
  328    HA3  GLY  44           HA1      GLY  44 -43.516  -5.708 -18.203
  329    H    GLY  45           HN       GLY  45 -42.831  -7.721 -18.912
  330    HA2  GLY  45           HA2      GLY  45 -44.889  -9.791 -19.367
  331    HA3  GLY  45           HA1      GLY  45 -43.920  -9.206 -20.718
  332    H    THR  46           HN       THR  46 -42.761 -11.000 -21.181
  333    HA   THR  46           HA       THR  46 -41.514 -12.606 -19.143
  334    HB   THR  46           HB       THR  46 -41.197 -12.644 -22.150
  335    HG1  THR  46           HG1      THR  46 -43.284 -13.139 -20.959
  336   HG21  THR  46          HG21      THR  46 -39.303 -13.755 -21.276
  337   HG22  THR  46          HG22      THR  46 -40.462 -15.047 -21.584
  338   HG23  THR  46          HG23      THR  46 -40.224 -14.449 -19.941
  339    H    TRP  47           HN       TRP  47 -39.157 -13.098 -19.236
  340    HA   TRP  47           HA       TRP  47 -37.410 -10.972 -20.183
  341    HB2  TRP  47           HB2      TRP  47 -38.184 -11.326 -17.333
  342    HB3  TRP  47           HB1      TRP  47 -36.488 -10.984 -17.656
  343    HD1  TRP  47           HD1      TRP  47 -39.765  -9.370 -17.261
  344    HE1  TRP  47           HE1      TRP  47 -39.567  -6.847 -17.813
  345    HE3  TRP  47           HE3      TRP  47 -35.233  -9.310 -19.602
  346    HZ2  TRP  47           HZ2      TRP  47 -37.786  -5.085 -19.192
  347    HZ3  TRP  47           HZ3      TRP  47 -34.318  -7.200 -20.523
  348    HH2  TRP  47           HH2      TRP  47 -35.590  -5.093 -20.321
  349    H    ALA  48           HN       ALA  48 -35.217 -11.472 -20.012
  350    HA   ALA  48           HA       ALA  48 -34.610 -14.336 -19.527
  351    HB1  ALA  48           HB1      ALA  48 -34.263 -13.989 -21.840
  352    HB2  ALA  48           HB2      ALA  48 -32.657 -13.806 -21.146
  353    HB3  ALA  48           HB3      ALA  48 -33.594 -12.379 -21.598
  354    H    VAL  49           HN       VAL  49 -33.338 -14.585 -17.817
  355    HA   VAL  49           HA       VAL  49 -31.594 -12.330 -16.950
  356    HB   VAL  49           HB       VAL  49 -31.821 -13.464 -14.680
  357   HG11  VAL  49          HG11      VAL  49 -33.045 -11.370 -15.427
  358   HG12  VAL  49          HG12      VAL  49 -33.861 -12.299 -14.172
  359   HG13  VAL  49          HG13      VAL  49 -34.405 -12.412 -15.844
  360   HG21  VAL  49          HG21      VAL  49 -32.706 -15.619 -15.524
  361   HG22  VAL  49          HG22      VAL  49 -34.154 -14.784 -16.088
  362   HG23  VAL  49          HG23      VAL  49 -33.802 -14.878 -14.363
  363    H    TYR  50           HN       TYR  50 -29.460 -12.720 -16.802
  364    HA   TYR  50           HA       TYR  50 -28.503 -15.476 -17.288
  365    HB2  TYR  50           HB2      TYR  50 -27.070 -12.823 -17.531
  366    HB3  TYR  50           HB1      TYR  50 -26.389 -14.399 -17.936
  367    HD1  TYR  50           HD1      TYR  50 -29.167 -12.056 -18.757
  368    HD2  TYR  50           HD2      TYR  50 -26.780 -15.378 -20.073
  369    HE1  TYR  50           HE1      TYR  50 -30.177 -11.887 -21.012
  370    HE2  TYR  50           HE2      TYR  50 -27.788 -15.202 -22.335
  371    HH   TYR  50           HH       TYR  50 -28.920 -13.590 -23.721
  372    H    GLU  51           HN       GLU  51 -28.092 -16.561 -15.470
  373    HA   GLU  51           HA       GLU  51 -27.794 -15.843 -12.923
  374    HB2  GLU  51           HB2      GLU  51 -27.538 -18.172 -13.793
  375    HB3  GLU  51           HB1      GLU  51 -25.880 -17.774 -14.241
  376    HG2  GLU  51           HG2      GLU  51 -25.353 -17.248 -11.900
  377    HG3  GLU  51           HG1      GLU  51 -27.021 -17.588 -11.438
  378    H    ARG  52           HN       ARG  52 -25.278 -15.486 -15.376
  379    HA   ARG  52           HA       ARG  52 -23.672 -13.927 -13.437
  380    HB2  ARG  52           HB2      ARG  52 -22.833 -15.742 -15.687
  381    HB3  ARG  52           HB1      ARG  52 -21.749 -14.547 -15.004
  382    HG2  ARG  52           HG2      ARG  52 -22.018 -15.537 -12.786
  383    HG3  ARG  52           HG1      ARG  52 -23.176 -16.701 -13.427
  384    HD2  ARG  52           HD2      ARG  52 -20.716 -17.456 -13.139
  385    HD3  ARG  52           HD1      ARG  52 -21.533 -17.851 -14.647
  386    HE   ARG  52           HE       ARG  52 -20.358 -15.486 -15.235
  387   HH11  ARG  52          HH21      ARG  52 -19.244 -18.394 -13.742
  388   HH12  ARG  52          HH22      ARG  52 -17.613 -18.218 -14.299
  389   HH21  ARG  52          HH11      ARG  52 -18.232 -15.239 -15.968
  390   HH22  ARG  52          HH12      ARG  52 -17.039 -16.427 -15.564
  391    HA   PRO  53           HA       PRO  53 -24.171 -10.469 -16.165
  392    HB2  PRO  53           HB2      PRO  53 -21.833  -9.104 -15.684
  393    HB3  PRO  53           HB1      PRO  53 -23.161  -9.162 -14.520
  394    HG2  PRO  53           HG2      PRO  53 -20.661 -10.792 -14.603
  395    HG3  PRO  53           HG1      PRO  53 -21.448 -10.014 -13.216
  396    HD2  PRO  53           HD2      PRO  53 -21.728 -12.661 -13.701
  397    HD3  PRO  53           HD1      PRO  53 -23.052 -11.698 -13.010
  398    H    ASN  54           HN       ASN  54 -23.295  -9.449 -18.055
  399    HA   ASN  54           HA       ASN  54 -22.052  -9.290 -19.991
  400    HB2  ASN  54           HB2      ASN  54 -20.473 -11.757 -19.289
  401    HB3  ASN  54           HB1      ASN  54 -20.004 -10.375 -20.270
  402   HD21  ASN  54          HD21      ASN  54 -20.603  -8.206 -18.651
  403   HD22  ASN  54          HD22      ASN  54 -19.706  -8.282 -17.211
  404    H    PHE  55           HN       PHE  55 -23.930 -11.841 -18.909
  405    HA   PHE  55           HA       PHE  55 -25.477 -13.057 -20.107
  406    HB2  PHE  55           HB2      PHE  55 -23.946 -12.649 -22.669
  407    HB3  PHE  55           HB1      PHE  55 -25.649 -13.022 -22.445
  408    HD1  PHE  55           HD2      PHE  55 -26.752 -11.212 -20.622
  409    HD2  PHE  55           HD1      PHE  55 -23.614 -10.462 -23.461
  410    HE1  PHE  55           HE2      PHE  55 -27.316  -8.803 -20.606
  411    HE2  PHE  55           HE1      PHE  55 -24.184  -8.047 -23.443
  412    HZ   PHE  55           HZ       PHE  55 -26.041  -7.223 -22.019
  413    H    ALA  56           HN       ALA  56 -23.844 -14.369 -18.640
  414    HA   ALA  56           HA       ALA  56 -23.212 -16.769 -20.185
  415    HB1  ALA  56           HB1      ALA  56 -21.156 -15.287 -18.536
  416    HB2  ALA  56           HB2      ALA  56 -21.071 -15.671 -20.254
  417    HB3  ALA  56           HB3      ALA  56 -20.974 -16.962 -19.057
  418    H    GLY  57           HN       GLY  57 -22.299 -18.480 -18.449
  419    HA2  GLY  57           HA2      GLY  57 -22.455 -19.404 -16.283
  420    HA3  GLY  57           HA1      GLY  57 -23.557 -18.113 -15.822
  421    H    TYR  58           HN       TYR  58 -25.683 -18.172 -17.028
  422    HA   TYR  58           HA       TYR  58 -26.834 -20.315 -18.249
  423    HB2  TYR  58           HB2      TYR  58 -26.434 -21.885 -16.558
  424    HB3  TYR  58           HB1      TYR  58 -26.620 -20.696 -15.273
  425    HD1  TYR  58           HD1      TYR  58 -28.914 -21.255 -18.158
  426    HD2  TYR  58           HD2      TYR  58 -28.302 -21.718 -13.935
  427    HE1  TYR  58           HE1      TYR  58 -31.273 -21.904 -17.889
  428    HE2  TYR  58           HE2      TYR  58 -30.672 -22.383 -13.675
  429    HH   TYR  58           HH       TYR  58 -32.989 -21.918 -16.110
  430    H    MET  59           HN       MET  59 -28.606 -19.366 -19.035
  431    HA   MET  59           HA       MET  59 -29.927 -17.294 -17.400
  432    HB2  MET  59           HB2      MET  59 -30.835 -16.832 -19.950
  433    HB3  MET  59           HB1      MET  59 -29.453 -16.025 -19.237
  434    HG2  MET  59           HG2      MET  59 -28.947 -17.017 -21.464
  435    HG3  MET  59           HG1      MET  59 -27.931 -17.678 -20.181
  436    HE1  MET  59           HE1      MET  59 -27.269 -19.338 -21.681
  437    HE2  MET  59           HE2      MET  59 -28.391 -19.414 -23.037
  438    HE3  MET  59           HE3      MET  59 -28.118 -20.844 -22.048
  439    H    TYR  60           HN       TYR  60 -32.018 -17.353 -16.955
  440    HA   TYR  60           HA       TYR  60 -33.651 -19.539 -18.107
  441    HB2  TYR  60           HB2      TYR  60 -34.993 -18.892 -15.784
  442    HB3  TYR  60           HB1      TYR  60 -33.866 -20.233 -15.919
  443    HD1  TYR  60           HD2      TYR  60 -31.300 -19.518 -15.705
  444    HD2  TYR  60           HD1      TYR  60 -34.631 -17.375 -14.047
  445    HE1  TYR  60           HE2      TYR  60 -29.804 -18.493 -14.029
  446    HE2  TYR  60           HE1      TYR  60 -33.128 -16.353 -12.363
  447    HH   TYR  60           HH       TYR  60 -29.706 -17.286 -12.147
  448    H    ILE  61           HN       ILE  61 -35.946 -18.981 -18.300
  449    HA   ILE  61           HA       ILE  61 -36.240 -16.146 -19.101
  450    HB   ILE  61           HB       ILE  61 -37.734 -18.656 -19.857
  451   HG12  ILE  61          HG12      ILE  61 -36.868 -18.037 -22.135
  452   HG13  ILE  61          HG11      ILE  61 -35.926 -16.760 -21.370
  453   HG21  ILE  61          HG21      ILE  61 -38.318 -15.758 -20.389
  454   HG22  ILE  61          HG22      ILE  61 -39.428 -17.037 -19.894
  455   HG23  ILE  61          HG23      ILE  61 -38.816 -16.997 -21.543
  456   HD11  ILE  61          HD11      ILE  61 -34.913 -19.209 -21.821
  457   HD12  ILE  61          HD12      ILE  61 -35.618 -19.508 -20.236
  458   HD13  ILE  61          HD13      ILE  61 -34.424 -18.229 -20.443
  459    H    LEU  62           HN       LEU  62 -36.752 -15.275 -17.024
  460    HA   LEU  62           HA       LEU  62 -38.786 -16.416 -15.387
  461    HB2  LEU  62           HB2      LEU  62 -36.884 -14.248 -15.261
  462    HB3  LEU  62           HB1      LEU  62 -38.459 -13.615 -14.813
  463    HG   LEU  62           HG       LEU  62 -37.345 -16.171 -13.606
  464   HD11  LEU  62          HD11      LEU  62 -36.823 -14.623 -11.621
  465   HD12  LEU  62          HD12      LEU  62 -36.939 -13.296 -12.777
  466   HD13  LEU  62          HD13      LEU  62 -35.720 -14.552 -12.997
  467   HD21  LEU  62          HD21      LEU  62 -38.928 -15.346 -11.727
  468   HD22  LEU  62          HD22      LEU  62 -39.680 -15.986 -13.189
  469   HD23  LEU  62          HD23      LEU  62 -39.585 -14.245 -12.935
  470    HA   PRO  63           HA       PRO  63 -41.918 -14.605 -18.146
  471    HB2  PRO  63           HB2      PRO  63 -44.039 -16.118 -17.440
  472    HB3  PRO  63           HB1      PRO  63 -42.707 -16.755 -18.423
  473    HG2  PRO  63           HG2      PRO  63 -43.278 -17.141 -15.524
  474    HG3  PRO  63           HG1      PRO  63 -42.640 -18.293 -16.708
  475    HD2  PRO  63           HD2      PRO  63 -41.084 -16.857 -14.869
  476    HD3  PRO  63           HD1      PRO  63 -40.473 -17.634 -16.335
  477    H    GLN  64           HN       GLN  64 -43.913 -13.384 -17.957
  478    HA   GLN  64           HA       GLN  64 -44.005 -11.524 -15.960
  479    HB2  GLN  64           HB2      GLN  64 -45.352 -11.774 -18.226
  480    HB3  GLN  64           HB1      GLN  64 -46.613 -12.347 -17.136
  481    HG2  GLN  64           HG2      GLN  64 -45.134  -9.701 -16.911
  482    HG3  GLN  64           HG1      GLN  64 -46.804  -9.915 -17.444
  483   HE21  GLN  64          HE21      GLN  64 -44.921  -9.260 -14.711
  484   HE22  GLN  64          HE22      GLN  64 -46.064  -9.665 -13.520
  485    H    GLY  65           HN       GLY  65 -44.351 -11.663 -13.821
  486    HA2  GLY  65           HA2      GLY  65 -46.526 -12.737 -12.546
  487    HA3  GLY  65           HA1      GLY  65 -45.373 -14.061 -12.651
  488    H    GLU  66           HN       GLU  66 -45.793 -13.611 -10.205
  489    HA   GLU  66           HA       GLU  66 -43.839 -11.645  -9.189
  490    HB2  GLU  66           HB2      GLU  66 -46.213 -12.972  -7.870
  491    HB3  GLU  66           HB1      GLU  66 -45.056 -11.937  -7.029
  492    HG2  GLU  66           HG2      GLU  66 -45.579 -10.087  -8.555
  493    HG3  GLU  66           HG1      GLU  66 -46.702 -11.114  -9.433
  494    H    TYR  67           HN       TYR  67 -42.504 -12.308  -7.402
  495    HA   TYR  67           HA       TYR  67 -42.219 -15.147  -6.913
  496    HB2  TYR  67           HB2      TYR  67 -39.861 -13.588  -7.960
  497    HB3  TYR  67           HB1      TYR  67 -39.898 -15.269  -7.519
  498    HD1  TYR  67           HD1      TYR  67 -41.262 -12.820 -10.005
  499    HD2  TYR  67           HD2      TYR  67 -40.795 -16.956  -8.978
  500    HE1  TYR  67           HE1      TYR  67 -42.074 -13.456 -12.234
  501    HE2  TYR  67           HE2      TYR  67 -41.606 -17.597 -11.218
  502    HH   TYR  67           HH       TYR  67 -42.440 -16.883 -13.141
  503    HA   PRO  68           HA       PRO  68 -41.706 -12.555  -3.157
  504    HB2  PRO  68           HB2      PRO  68 -42.573 -14.434  -1.351
  505    HB3  PRO  68           HB1      PRO  68 -43.659 -13.366  -2.257
  506    HG2  PRO  68           HG2      PRO  68 -42.942 -16.213  -2.764
  507    HG3  PRO  68           HG1      PRO  68 -44.506 -15.394  -2.927
  508    HD2  PRO  68           HD2      PRO  68 -42.910 -15.978  -5.051
  509    HD3  PRO  68           HD1      PRO  68 -44.017 -14.586  -5.046
  510    H    GLU  69           HN       GLU  69 -40.190 -15.443  -4.142
  511    HA   GLU  69           HA       GLU  69 -37.958 -14.849  -2.366
  512    HB2  GLU  69           HB2      GLU  69 -39.425 -17.499  -2.358
  513    HB3  GLU  69           HB1      GLU  69 -37.821 -17.260  -1.666
  514    HG2  GLU  69           HG2      GLU  69 -38.767 -15.496  -0.181
  515    HG3  GLU  69           HG1      GLU  69 -40.361 -15.830  -0.828
  516    H    TYR  70           HN       TYR  70 -36.025 -16.086  -3.015
  517    HA   TYR  70           HA       TYR  70 -35.697 -16.086  -5.819
  518    HB2  TYR  70           HB2      TYR  70 -33.491 -17.112  -5.324
  519    HB3  TYR  70           HB1      TYR  70 -33.817 -15.688  -4.341
  520    HD1  TYR  70           HD2      TYR  70 -34.590 -15.956  -1.969
  521    HD2  TYR  70           HD1      TYR  70 -33.237 -19.272  -4.340
  522    HE1  TYR  70           HE2      TYR  70 -34.311 -17.312   0.086
  523    HE2  TYR  70           HE1      TYR  70 -32.955 -20.629  -2.284
  524    HH   TYR  70           HH       TYR  70 -34.318 -19.875   0.610
  525    H    GLN  71           HN       GLN  71 -35.800 -18.789  -3.517
  526    HA   GLN  71           HA       GLN  71 -35.506 -20.963  -5.163
  527    HB2  GLN  71           HB2      GLN  71 -37.318 -22.034  -3.544
  528    HB3  GLN  71           HB1      GLN  71 -35.713 -21.587  -2.954
  529    HG2  GLN  71           HG2      GLN  71 -36.515 -19.553  -2.020
  530    HG3  GLN  71           HG1      GLN  71 -38.051 -19.678  -2.879
  531   HE21  GLN  71          HE21      GLN  71 -36.296 -22.213  -1.033
  532   HE22  GLN  71          HE22      GLN  71 -37.559 -22.488   0.077
  533    H    ARG  72           HN       ARG  72 -37.899 -18.672  -5.458
  534    HA   ARG  72           HA       ARG  72 -39.999 -20.344  -6.420
  535    HB2  ARG  72           HB2      ARG  72 -40.020 -17.922  -5.428
  536    HB3  ARG  72           HB1      ARG  72 -39.689 -17.439  -7.076
  537    HG2  ARG  72           HG2      ARG  72 -42.048 -17.429  -6.977
  538    HG3  ARG  72           HG1      ARG  72 -41.680 -18.980  -7.717
  539    HD2  ARG  72           HD2      ARG  72 -41.606 -19.533  -4.959
  540    HD3  ARG  72           HD1      ARG  72 -42.969 -18.432  -5.143
  541    HE   ARG  72           HE       ARG  72 -42.930 -20.533  -7.108
  542   HH11  ARG  72          HH21      ARG  72 -43.763 -19.590  -3.900
  543   HH12  ARG  72          HH22      ARG  72 -45.018 -20.769  -3.721
  544   HH21  ARG  72          HH11      ARG  72 -44.573 -22.096  -6.899
  545   HH22  ARG  72          HH12      ARG  72 -45.477 -22.193  -5.426
  546    H    TRP  73           HN       TRP  73 -37.020 -19.590  -7.722
  547    HA   TRP  73           HA       TRP  73 -38.022 -19.872 -10.517
  548    HB2  TRP  73           HB2      TRP  73 -35.947 -18.695 -11.226
  549    HB3  TRP  73           HB1      TRP  73 -36.989 -17.686 -10.232
  550    HD1  TRP  73           HD1      TRP  73 -35.158 -20.202  -8.185
  551    HE1  TRP  73           HE1      TRP  73 -33.271 -19.126  -6.906
  552    HE3  TRP  73           HE3      TRP  73 -35.031 -15.726 -10.576
  553    HZ2  TRP  73           HZ2      TRP  73 -31.842 -16.650  -6.891
  554    HZ3  TRP  73           HZ3      TRP  73 -33.374 -14.018  -9.910
  555    HH2  TRP  73           HH2      TRP  73 -31.779 -14.476  -8.073
  556    H    MET  74           HN       MET  74 -37.256 -21.877  -8.418
  557    HA   MET  74           HA       MET  74 -36.441 -24.013  -8.562
  558    HB2  MET  74           HB2      MET  74 -34.777 -23.116 -10.926
  559    HB3  MET  74           HB1      MET  74 -34.944 -24.749 -10.345
  560    HG2  MET  74           HG2      MET  74 -37.290 -23.074 -11.246
  561    HG3  MET  74           HG1      MET  74 -36.418 -24.177 -12.311
  562    HE1  MET  74           HE1      MET  74 -40.034 -25.475 -10.890
  563    HE2  MET  74           HE2      MET  74 -39.313 -24.348 -12.037
  564    HE3  MET  74           HE3      MET  74 -39.505 -23.876 -10.349
  565    H    GLY  75           HN       GLY  75 -35.375 -21.681  -7.120
  566    HA2  GLY  75           HA2      GLY  75 -33.416 -20.943  -6.026
  567    HA3  GLY  75           HA1      GLY  75 -33.501 -22.617  -5.475
  568    H    LEU  76           HN       LEU  76 -32.628 -21.174  -8.645
  569    HA   LEU  76           HA       LEU  76 -30.472 -22.973  -9.037
  570    HB2  LEU  76           HB2      LEU  76 -30.951 -20.331 -10.421
  571    HB3  LEU  76           HB1      LEU  76 -30.084 -21.735 -11.052
  572    HG   LEU  76           HG       LEU  76 -33.009 -21.807 -10.293
  573   HD11  LEU  76          HD11      LEU  76 -33.421 -20.537 -12.109
  574   HD12  LEU  76          HD12      LEU  76 -32.880 -21.898 -13.085
  575   HD13  LEU  76          HD13      LEU  76 -31.750 -20.614 -12.658
  576   HD21  LEU  76          HD21      LEU  76 -32.863 -23.802 -11.941
  577   HD22  LEU  76          HD22      LEU  76 -32.107 -24.013 -10.362
  578   HD23  LEU  76          HD23      LEU  76 -31.119 -23.650 -11.773
  579    H    ASN  77           HN       ASN  77 -30.589 -20.851  -6.727
  580    HA   ASN  77           HA       ASN  77 -28.669 -20.277  -5.434
  581    HB2  ASN  77           HB2      ASN  77 -27.097 -21.030  -7.283
  582    HB3  ASN  77           HB1      ASN  77 -27.330 -19.435  -8.017
  583   HD21  ASN  77          HD21      ASN  77 -25.045 -18.982  -7.678
  584   HD22  ASN  77          HD22      ASN  77 -24.460 -18.580  -6.129
  585    H    ASP  78           HN       ASP  78 -27.838 -18.057  -4.932
  586    HA   ASP  78           HA       ASP  78 -29.885 -16.076  -5.668
  587    HB2  ASP  78           HB2      ASP  78 -29.007 -14.790  -3.783
  588    HB3  ASP  78           HB1      ASP  78 -29.419 -16.426  -3.277
  589    H    ARG  79           HN       ARG  79 -28.562 -16.252  -7.853
  590    HA   ARG  79           HA       ARG  79 -26.742 -13.930  -7.881
  591    HB2  ARG  79           HB2      ARG  79 -25.452 -16.126  -7.938
  592    HB3  ARG  79           HB1      ARG  79 -26.216 -16.428  -9.494
  593    HG2  ARG  79           HG2      ARG  79 -24.251 -15.381 -10.184
  594    HG3  ARG  79           HG1      ARG  79 -25.332 -13.995 -10.066
  595    HD2  ARG  79           HD2      ARG  79 -24.480 -13.509  -7.806
  596    HD3  ARG  79           HD1      ARG  79 -23.435 -14.922  -7.888
  597    HE   ARG  79           HE       ARG  79 -22.871 -13.277 -10.099
  598   HH11  ARG  79          HH21      ARG  79 -22.677 -13.312  -6.648
  599   HH12  ARG  79          HH22      ARG  79 -21.293 -12.274  -6.573
  600   HH21  ARG  79          HH11      ARG  79 -21.052 -11.912 -10.015
  601   HH22  ARG  79          HH12      ARG  79 -20.371 -11.480  -8.481
  602    H    LEU  80           HN       LEU  80 -27.702 -12.460  -9.159
  603    HA   LEU  80           HA       LEU  80 -28.754 -13.362 -11.756
  604    HB2  LEU  80           HB2      LEU  80 -30.534 -13.013  -9.786
  605    HB3  LEU  80           HB1      LEU  80 -30.348 -11.326 -10.245
  606    HG   LEU  80           HG       LEU  80 -32.196 -12.261 -11.471
  607   HD11  LEU  80          HD11      LEU  80 -31.612 -11.493 -13.589
  608   HD12  LEU  80          HD12      LEU  80 -29.986 -12.170 -13.502
  609   HD13  LEU  80          HD13      LEU  80 -30.410 -10.736 -12.567
  610   HD21  LEU  80          HD21      LEU  80 -30.481 -14.224 -12.951
  611   HD22  LEU  80          HD22      LEU  80 -32.201 -14.275 -12.576
  612   HD23  LEU  80          HD23      LEU  80 -31.024 -14.663 -11.331
  613    H    SER  81           HN       SER  81 -28.050 -12.122 -13.348
  614    HA   SER  81           HA       SER  81 -26.879  -9.485 -12.689
  615    HB2  SER  81           HB2      SER  81 -25.263  -9.890 -14.257
  616    HB3  SER  81           HB1      SER  81 -25.593 -11.546 -13.788
  617    HG   SER  81           HG       SER  81 -26.123 -11.839 -15.794
  618    H    SER  82           HN       SER  82 -26.730  -8.499 -15.323
  619    HA   SER  82           HA       SER  82 -29.064  -7.138 -15.669
  620    HB2  SER  82           HB2      SER  82 -27.281  -6.400 -16.980
  621    HB3  SER  82           HB1      SER  82 -26.932  -8.017 -17.589
  622    HG   SER  82           HG       SER  82 -28.547  -7.854 -18.991
  623    H    CYS  83           HN       CYS  83 -30.336  -7.367 -17.916
  624    HA   CYS  83           HA       CYS  83 -31.156 -10.125 -18.406
  625    HB2  CYS  83           HB2      CYS  83 -33.387  -9.864 -17.680
  626    HB3  CYS  83           HB1      CYS  83 -32.430  -9.129 -16.386
  627    HG   CYS  83           HG       CYS  83 -34.482  -7.661 -17.936
  628    H    ARG  84           HN       ARG  84 -32.501 -10.307 -20.339
  629    HA   ARG  84           HA       ARG  84 -32.539  -7.867 -22.028
  630    HB2  ARG  84           HB2      ARG  84 -32.078 -10.745 -22.869
  631    HB3  ARG  84           HB1      ARG  84 -32.201  -9.360 -23.959
  632    HG2  ARG  84           HG2      ARG  84 -30.260  -8.314 -22.890
  633    HG3  ARG  84           HG1      ARG  84 -30.146  -9.657 -21.752
  634    HD2  ARG  84           HD2      ARG  84 -28.544 -10.041 -23.523
  635    HD3  ARG  84           HD1      ARG  84 -29.855 -11.202 -23.706
  636    HE   ARG  84           HE       ARG  84 -30.211  -8.767 -25.230
  637   HH11  ARG  84          HH21      ARG  84 -28.889 -11.959 -25.105
  638   HH12  ARG  84          HH22      ARG  84 -28.847 -12.158 -26.825
  639   HH21  ARG  84          HH11      ARG  84 -30.162  -9.018 -27.484
  640   HH22  ARG  84          HH12      ARG  84 -29.568 -10.492 -28.173
  641    H    ALA  85           HN       ALA  85 -34.496  -7.323 -22.785
  642    HA   ALA  85           HA       ALA  85 -36.842  -8.609 -21.914
  643    HB1  ALA  85           HB1      ALA  85 -36.719  -6.221 -22.578
  644    HB2  ALA  85           HB2      ALA  85 -38.020  -7.081 -23.403
  645    HB3  ALA  85           HB3      ALA  85 -36.521  -6.720 -24.258
  646    H    VAL  86           HN       VAL  86 -37.891 -10.338 -22.649
  647    HA   VAL  86           HA       VAL  86 -37.302 -11.274 -25.419
  648    HB   VAL  86           HB       VAL  86 -37.674 -12.859 -22.866
  649   HG11  VAL  86          HG11      VAL  86 -37.697 -13.743 -25.756
  650   HG12  VAL  86          HG12      VAL  86 -38.921 -14.055 -24.525
  651   HG13  VAL  86          HG13      VAL  86 -37.348 -14.847 -24.426
  652   HG21  VAL  86          HG21      VAL  86 -35.457 -13.845 -23.786
  653   HG22  VAL  86          HG22      VAL  86 -35.399 -12.231 -23.078
  654   HG23  VAL  86          HG23      VAL  86 -35.412 -12.427 -24.829
  655    H    HIS  87           HN       HIS  87 -38.993 -11.562 -26.706
  656    HA   HIS  87           HA       HIS  87 -41.701 -11.289 -25.567
  657    HB2  HIS  87           HB2      HIS  87 -40.778 -11.130 -28.447
  658    HB3  HIS  87           HB1      HIS  87 -42.400 -10.779 -27.849
  659    HD2  HIS  87           HD2      HIS  87 -42.163  -8.626 -25.651
  660    HE1  HIS  87           HE1      HIS  87 -39.069  -6.748 -27.822
  661    HE2  HIS  87           HE2      HIS  87 -40.750  -6.451 -25.941
  662    H    LEU  88           HN       LEU  88 -43.393 -12.684 -26.361
  663    HA   LEU  88           HA       LEU  88 -42.501 -15.437 -26.523
  664    HB2  LEU  88           HB2      LEU  88 -45.294 -15.449 -26.765
  665    HB3  LEU  88           HB1      LEU  88 -44.386 -15.635 -25.268
  666    HG   LEU  88           HG       LEU  88 -45.106 -12.915 -26.388
  667   HD11  LEU  88          HD11      LEU  88 -46.668 -14.684 -24.498
  668   HD12  LEU  88          HD12      LEU  88 -47.196 -14.064 -26.062
  669   HD13  LEU  88          HD13      LEU  88 -46.971 -12.959 -24.706
  670   HD21  LEU  88          HD21      LEU  88 -43.380 -13.687 -24.316
  671   HD22  LEU  88          HD22      LEU  88 -44.863 -13.261 -23.470
  672   HD23  LEU  88          HD23      LEU  88 -44.087 -12.089 -24.531
  673    HA   PRO  89           HA       PRO  89 -43.014 -15.852 -30.910
  674    HB2  PRO  89           HB2      PRO  89 -43.564 -18.499 -31.156
  675    HB3  PRO  89           HB1      PRO  89 -41.967 -17.910 -30.657
  676    HG2  PRO  89           HG2      PRO  89 -44.202 -18.985 -28.984
  677    HG3  PRO  89           HG1      PRO  89 -42.459 -19.303 -28.876
  678    HD2  PRO  89           HD2      PRO  89 -43.732 -17.506 -27.232
  679    HD3  PRO  89           HD1      PRO  89 -42.025 -17.351 -27.708
  680    H    SER  90           HN       SER  90 -44.551 -16.216 -32.588
  681    HA   SER  90           HA       SER  90 -47.181 -17.124 -32.178
  682    HB2  SER  90           HB2      SER  90 -46.706 -14.190 -31.793
  683    HB3  SER  90           HB1      SER  90 -48.231 -14.747 -32.485
  684    HG   SER  90           HG       SER  90 -48.733 -15.703 -30.631
  685    H    GLY  91           HN       GLY  91 -44.736 -15.637 -34.038
  686    HA2  GLY  91           HA2      GLY  91 -46.222 -15.018 -36.370
  687    HA3  GLY  91           HA1      GLY  91 -44.479 -15.269 -36.294
  688    H    GLY  92           HN       GLY  92 -44.255 -17.862 -35.496
  689    HA2  GLY  92           HA2      GLY  92 -45.511 -19.369 -37.733
  690    HA3  GLY  92           HA1      GLY  92 -43.927 -19.722 -37.049
  691    H    GLN  93           HN       GLN  93 -47.170 -19.186 -35.687
  692    HA   GLN  93           HA       GLN  93 -48.145 -20.239 -33.831
  693    HB2  GLN  93           HB2      GLN  93 -48.625 -22.705 -34.506
  694    HB3  GLN  93           HB1      GLN  93 -49.257 -21.416 -35.529
  695    HG2  GLN  93           HG2      GLN  93 -47.420 -21.683 -37.093
  696    HG3  GLN  93           HG1      GLN  93 -46.637 -22.852 -36.043
  697   HE21  GLN  93          HE21      GLN  93 -47.698 -24.975 -35.775
  698   HE22  GLN  93          HE22      GLN  93 -48.775 -25.533 -36.972
  699    H    TYR  94           HN       TYR  94 -46.909 -23.338 -34.353
  700    HA   TYR  94           HA       TYR  94 -44.585 -23.097 -32.647
  701    HB2  TYR  94           HB2      TYR  94 -46.651 -23.079 -31.129
  702    HB3  TYR  94           HB1      TYR  94 -46.862 -24.759 -31.598
  703    HD1  TYR  94           HD1      TYR  94 -44.335 -22.379 -30.248
  704    HD2  TYR  94           HD2      TYR  94 -45.641 -26.451 -30.490
  705    HE1  TYR  94           HE1      TYR  94 -42.615 -23.029 -28.590
  706    HE2  TYR  94           HE2      TYR  94 -43.924 -27.112 -28.833
  707    HH   TYR  94           HH       TYR  94 -41.845 -26.325 -27.940
  708    H    LYS  95           HN       LYS  95 -43.183 -24.357 -33.679
  709    HA   LYS  95           HA       LYS  95 -43.880 -27.140 -34.211
  710    HB2  LYS  95           HB2      LYS  95 -44.613 -25.874 -36.240
  711    HB3  LYS  95           HB1      LYS  95 -42.948 -25.351 -36.459
  712    HG2  LYS  95           HG2      LYS  95 -43.327 -27.282 -37.866
  713    HG3  LYS  95           HG1      LYS  95 -42.255 -27.755 -36.550
  714    HD2  LYS  95           HD2      LYS  95 -43.843 -29.074 -35.511
  715    HD3  LYS  95           HD1      LYS  95 -45.203 -28.118 -36.116
  716    HE2  LYS  95           HE2      LYS  95 -43.469 -29.886 -37.863
  717    HE3  LYS  95           HE1      LYS  95 -45.025 -30.383 -37.185
  718    HZ1  LYS  95           HZ1      LYS  95 -46.116 -29.216 -38.710
  719    HZ2  LYS  95           HZ2      LYS  95 -44.641 -29.070 -39.542
  720    HZ3  LYS  95           HZ3      LYS  95 -45.149 -27.840 -38.485
  721    H    ILE  96           HN       ILE  96 -42.213 -28.435 -33.894
  722    HA   ILE  96           HA       ILE  96 -39.458 -27.358 -34.053
  723    HB   ILE  96           HB       ILE  96 -39.779 -27.269 -31.742
  724   HG12  ILE  96          HG12      ILE  96 -38.895 -30.147 -31.995
  725   HG13  ILE  96          HG11      ILE  96 -37.868 -28.820 -32.530
  726   HG21  ILE  96          HG21      ILE  96 -42.021 -28.340 -31.737
  727   HG22  ILE  96          HG22      ILE  96 -40.996 -28.977 -30.455
  728   HG23  ILE  96          HG23      ILE  96 -41.251 -29.914 -31.926
  729   HD11  ILE  96          HD11      ILE  96 -38.077 -27.823 -30.232
  730   HD12  ILE  96          HD12      ILE  96 -37.263 -29.385 -30.252
  731   HD13  ILE  96          HD13      ILE  96 -38.945 -29.279 -29.735
  732    H    GLN  97           HN       GLN  97 -37.906 -28.774 -34.625
  733    HA   GLN  97           HA       GLN  97 -38.718 -31.529 -35.337
  734    HB2  GLN  97           HB2      GLN  97 -37.271 -29.433 -36.915
  735    HB3  GLN  97           HB1      GLN  97 -36.738 -31.103 -37.098
  736    HG2  GLN  97           HG2      GLN  97 -39.027 -31.788 -37.668
  737    HG3  GLN  97           HG1      GLN  97 -39.589 -30.132 -37.464
  738   HE21  GLN  97          HE21      GLN  97 -36.412 -30.633 -38.853
  739   HE22  GLN  97          HE22      GLN  97 -36.843 -30.247 -40.454
  740    H    ILE  98           HN       ILE  98 -37.481 -33.069 -34.475
  741    HA   ILE  98           HA       ILE  98 -34.950 -32.264 -33.131
  742    HB   ILE  98           HB       ILE  98 -36.744 -34.569 -32.345
  743   HG12  ILE  98          HG12      ILE  98 -36.810 -31.706 -31.345
  744   HG13  ILE  98          HG11      ILE  98 -38.093 -32.518 -32.242
  745   HG21  ILE  98          HG21      ILE  98 -34.362 -34.442 -31.553
  746   HG22  ILE  98          HG22      ILE  98 -35.552 -34.416 -30.250
  747   HG23  ILE  98          HG23      ILE  98 -34.774 -32.922 -30.761
  748   HD11  ILE  98          HD11      ILE  98 -37.341 -32.766 -29.387
  749   HD12  ILE  98          HD12      ILE  98 -37.765 -34.281 -30.188
  750   HD13  ILE  98          HD13      ILE  98 -38.915 -32.946 -30.155
  751    H    PHE  99           HN       PHE  99 -33.154 -33.337 -33.769
  752    HA   PHE  99           HA       PHE  99 -33.511 -35.752 -35.477
  753    HB2  PHE  99           HB2      PHE  99 -31.457 -33.546 -35.500
  754    HB3  PHE  99           HB1      PHE  99 -31.132 -35.105 -36.254
  755    HD1  PHE  99           HD1      PHE  99 -33.493 -32.219 -36.241
  756    HD2  PHE  99           HD2      PHE  99 -32.066 -35.668 -38.366
  757    HE1  PHE  99           HE1      PHE  99 -34.771 -31.519 -38.244
  758    HE2  PHE  99           HE2      PHE  99 -33.346 -34.964 -40.371
  759    HZ   PHE  99           HZ       PHE  99 -34.696 -32.886 -40.310
  760    H    GLU 100           HN       GLU 100 -32.736 -37.615 -34.789
  761    HA   GLU 100           HA       GLU 100 -31.674 -37.977 -32.218
  762    HB2  GLU 100           HB2      GLU 100 -32.859 -39.736 -33.494
  763    HB3  GLU 100           HB1      GLU 100 -31.481 -39.839 -34.597
  764    HG2  GLU 100           HG2      GLU 100 -30.015 -40.481 -32.733
  765    HG3  GLU 100           HG1      GLU 100 -31.358 -40.315 -31.601
  766    H    LYS 101           HN       LYS 101 -30.147 -37.355 -35.277
  767    HA   LYS 101           HA       LYS 101 -27.479 -37.594 -33.995
  768    HB2  LYS 101           HB2      LYS 101 -28.165 -37.894 -36.921
  769    HB3  LYS 101           HB1      LYS 101 -26.594 -38.158 -36.172
  770    HG2  LYS 101           HG2      LYS 101 -27.463 -40.016 -34.888
  771    HG3  LYS 101           HG1      LYS 101 -29.095 -39.717 -35.475
  772    HD2  LYS 101           HD2      LYS 101 -28.299 -40.127 -37.798
  773    HD3  LYS 101           HD1      LYS 101 -26.709 -40.547 -37.148
  774    HE2  LYS 101           HE2      LYS 101 -27.760 -42.349 -35.802
  775    HE3  LYS 101           HE1      LYS 101 -29.323 -41.943 -36.510
  776    HZ1  LYS 101           HZ1      LYS 101 -26.922 -42.879 -37.982
  777    HZ2  LYS 101           HZ2      LYS 101 -28.388 -42.413 -38.703
  778    HZ3  LYS 101           HZ3      LYS 101 -28.332 -43.775 -37.688
  779    H    GLY 102           HN       GLY 102 -25.985 -35.954 -34.421
  780    HA2  GLY 102           HA2      GLY 102 -27.032 -33.365 -34.708
  781    HA3  GLY 102           HA1      GLY 102 -25.327 -33.772 -34.776
  782    H    ASP 103           HN       ASP 103 -25.446 -31.963 -36.427
  783    HA   ASP 103           HA       ASP 103 -25.586 -31.191 -38.601
  784    HB2  ASP 103           HB2      ASP 103 -23.708 -32.928 -38.575
  785    HB3  ASP 103           HB1      ASP 103 -24.859 -34.024 -39.341
  786    H    PHE 104           HN       PHE 104 -28.052 -32.277 -37.491
  787    HA   PHE 104           HA       PHE 104 -30.172 -32.856 -38.154
  788    HB2  PHE 104           HB2      PHE 104 -29.332 -32.031 -40.926
  789    HB3  PHE 104           HB1      PHE 104 -30.919 -31.897 -40.168
  790    HD1  PHE 104           HD2      PHE 104 -30.882 -30.544 -37.842
  791    HD2  PHE 104           HD1      PHE 104 -28.056 -30.079 -41.046
  792    HE1  PHE 104           HE2      PHE 104 -30.307 -28.286 -37.009
  793    HE2  PHE 104           HE1      PHE 104 -27.480 -27.824 -40.210
  794    HZ   PHE 104           HZ       PHE 104 -28.600 -26.929 -38.194
  795    H    SER 105           HN       SER 105 -29.734 -35.130 -37.819
  796    HA   SER 105           HA       SER 105 -30.215 -36.679 -40.202
  797    HB2  SER 105           HB2      SER 105 -27.545 -36.745 -38.836
  798    HB3  SER 105           HB1      SER 105 -28.175 -38.210 -39.582
  799    HG   SER 105           HG       SER 105 -27.983 -35.686 -40.874
  800    H    GLY 106           HN       GLY 106 -30.534 -38.976 -39.695
  801    HA2  GLY 106           HA2      GLY 106 -31.075 -40.762 -38.262
  802    HA3  GLY 106           HA1      GLY 106 -30.947 -39.673 -36.888
  803    H    GLN 107           HN       GLN 107 -32.903 -40.402 -36.036
  804    HA   GLN 107           HA       GLN 107 -35.355 -40.326 -37.506
  805    HB2  GLN 107           HB2      GLN 107 -35.110 -41.822 -35.597
  806    HB3  GLN 107           HB1      GLN 107 -34.834 -40.453 -34.523
  807    HG2  GLN 107           HG2      GLN 107 -37.165 -41.285 -34.388
  808    HG3  GLN 107           HG1      GLN 107 -37.103 -39.620 -34.967
  809   HE21  GLN 107          HE21      GLN 107 -38.970 -39.643 -36.278
  810   HE22  GLN 107          HE22      GLN 107 -39.153 -40.646 -37.638
  811    H    MET 108           HN       MET 108 -36.859 -38.746 -37.687
  812    HA   MET 108           HA       MET 108 -36.297 -36.175 -36.345
  813    HB2  MET 108           HB2      MET 108 -35.859 -36.184 -38.813
  814    HB3  MET 108           HB1      MET 108 -37.579 -36.501 -39.048
  815    HG2  MET 108           HG2      MET 108 -38.105 -34.448 -37.737
  816    HG3  MET 108           HG1      MET 108 -36.377 -34.113 -37.616
  817    HE1  MET 108           HE1      MET 108 -39.213 -35.046 -39.917
  818    HE2  MET 108           HE2      MET 108 -39.151 -33.857 -41.215
  819    HE3  MET 108           HE3      MET 108 -39.532 -33.339 -39.576
  820    H    TYR 109           HN       TYR 109 -37.861 -35.483 -34.997
  821    HA   TYR 109           HA       TYR 109 -40.598 -36.542 -35.382
  822    HB2  TYR 109           HB2      TYR 109 -39.043 -35.872 -32.891
  823    HB3  TYR 109           HB1      TYR 109 -40.796 -36.023 -32.900
  824    HD1  TYR 109           HD2      TYR 109 -41.707 -38.198 -34.167
  825    HD2  TYR 109           HD1      TYR 109 -37.798 -37.808 -32.422
  826    HE1  TYR 109           HE2      TYR 109 -41.524 -40.665 -34.025
  827    HE2  TYR 109           HE1      TYR 109 -37.617 -40.277 -32.282
  828    HH   TYR 109           HH       TYR 109 -40.333 -42.374 -33.209
  829    H    GLU 110           HN       GLU 110 -42.192 -35.147 -35.616
  830    HA   GLU 110           HA       GLU 110 -41.655 -32.265 -35.176
  831    HB2  GLU 110           HB2      GLU 110 -43.421 -32.033 -37.066
  832    HB3  GLU 110           HB1      GLU 110 -41.768 -32.440 -37.505
  833    HG2  GLU 110           HG2      GLU 110 -42.336 -34.782 -37.691
  834    HG3  GLU 110           HG1      GLU 110 -43.953 -34.485 -37.054
  835    H    THR 111           HN       THR 111 -42.902 -31.410 -33.656
  836    HA   THR 111           HA       THR 111 -45.707 -32.226 -33.413
  837    HB   THR 111           HB       THR 111 -44.275 -33.662 -31.880
  838    HG1  THR 111           HG1      THR 111 -46.560 -32.958 -31.593
  839   HG21  THR 111          HG21      THR 111 -42.776 -31.651 -31.294
  840   HG22  THR 111          HG22      THR 111 -43.262 -32.694 -29.960
  841   HG23  THR 111          HG23      THR 111 -44.078 -31.153 -30.212
  842    H    THR 112           HN       THR 112 -46.940 -30.477 -33.180
  843    HA   THR 112           HA       THR 112 -45.673 -27.909 -32.521
  844    HB   THR 112           HB       THR 112 -47.007 -27.824 -34.482
  845    HG1  THR 112           HG1      THR 112 -49.003 -26.777 -33.036
  846   HG21  THR 112          HG21      THR 112 -49.125 -29.181 -32.809
  847   HG22  THR 112          HG22      THR 112 -48.314 -29.825 -34.238
  848   HG23  THR 112          HG23      THR 112 -49.438 -28.472 -34.394
  849    H    GLU 113           HN       GLU 113 -45.901 -29.688 -30.389
  850    HA   GLU 113           HA       GLU 113 -47.681 -28.149 -28.606
  851    HB2  GLU 113           HB2      GLU 113 -48.195 -30.430 -27.462
  852    HB3  GLU 113           HB1      GLU 113 -49.083 -30.001 -28.928
  853    HG2  GLU 113           HG2      GLU 113 -47.568 -31.342 -30.284
  854    HG3  GLU 113           HG1      GLU 113 -46.578 -31.705 -28.873
  855    H    ASP 114           HN       ASP 114 -47.259 -29.138 -26.234
  856    HA   ASP 114           HA       ASP 114 -44.404 -28.754 -25.773
  857    HB2  ASP 114           HB2      ASP 114 -45.120 -28.962 -23.339
  858    HB3  ASP 114           HB1      ASP 114 -45.769 -27.591 -24.230
  859    H    CYS 115           HN       CYS 115 -43.188 -30.216 -24.464
  860    HA   CYS 115           HA       CYS 115 -44.144 -33.016 -24.508
  861    HB2  CYS 115           HB2      CYS 115 -41.423 -32.019 -25.365
  862    HB3  CYS 115           HB1      CYS 115 -41.926 -33.706 -25.291
  863    HG   CYS 115           HG       CYS 115 -43.540 -31.778 -27.131
  864    HA   PRO 116           HA       PRO 116 -42.399 -32.419 -20.326
  865    HB2  PRO 116           HB2      PRO 116 -43.336 -34.724 -19.190
  866    HB3  PRO 116           HB1      PRO 116 -44.374 -33.313 -19.473
  867    HG2  PRO 116           HG2      PRO 116 -44.153 -35.838 -21.033
  868    HG3  PRO 116           HG1      PRO 116 -45.581 -34.861 -20.670
  869    HD2  PRO 116           HD2      PRO 116 -44.210 -34.820 -23.090
  870    HD3  PRO 116           HD1      PRO 116 -45.258 -33.503 -22.514
  871    H    SER 117           HN       SER 117 -42.389 -35.754 -21.588
  872    HA   SER 117           HA       SER 117 -39.484 -35.951 -20.973
  873    HB2  SER 117           HB2      SER 117 -41.626 -38.097 -20.980
  874    HB3  SER 117           HB1      SER 117 -39.897 -38.437 -20.887
  875    HG   SER 117           HG       SER 117 -41.344 -38.075 -18.870
  876    H    ILE 118           HN       ILE 118 -38.350 -35.757 -22.795
  877    HA   ILE 118           HA       ILE 118 -39.471 -36.113 -25.376
  878    HB   ILE 118           HB       ILE 118 -37.412 -34.714 -24.451
  879   HG12  ILE 118          HG12      ILE 118 -37.479 -35.865 -27.258
  880   HG13  ILE 118          HG11      ILE 118 -38.438 -34.498 -26.684
  881   HG21  ILE 118          HG21      ILE 118 -35.255 -35.644 -25.045
  882   HG22  ILE 118          HG22      ILE 118 -36.008 -37.127 -25.612
  883   HG23  ILE 118          HG23      ILE 118 -36.057 -36.713 -23.899
  884   HD11  ILE 118          HD11      ILE 118 -36.144 -34.128 -27.956
  885   HD12  ILE 118          HD12      ILE 118 -35.468 -34.335 -26.350
  886   HD13  ILE 118          HD13      ILE 118 -36.653 -33.062 -26.657
  887    H    MET 119           HN       MET 119 -37.257 -38.032 -23.420
  888    HA   MET 119           HA       MET 119 -36.807 -40.046 -25.345
  889    HB2  MET 119           HB2      MET 119 -35.386 -39.654 -23.340
  890    HB3  MET 119           HB1      MET 119 -36.685 -40.296 -22.343
  891    HG2  MET 119           HG2      MET 119 -36.567 -42.440 -23.438
  892    HG3  MET 119           HG1      MET 119 -35.444 -41.817 -24.644
  893    HE1  MET 119           HE1      MET 119 -35.154 -44.302 -23.306
  894    HE2  MET 119           HE2      MET 119 -33.737 -44.472 -22.273
  895    HE3  MET 119           HE3      MET 119 -33.543 -43.933 -23.938
  896    H    GLU 120           HN       GLU 120 -39.482 -39.434 -23.235
  897    HA   GLU 120           HA       GLU 120 -40.428 -42.127 -23.104
  898    HB2  GLU 120           HB2      GLU 120 -41.031 -40.354 -21.494
  899    HB3  GLU 120           HB1      GLU 120 -41.950 -39.551 -22.764
  900    HG2  GLU 120           HG2      GLU 120 -43.500 -40.855 -21.487
  901    HG3  GLU 120           HG1      GLU 120 -43.284 -41.695 -23.013
  902    H    GLN 121           HN       GLN 121 -41.372 -39.324 -25.074
  903    HA   GLN 121           HA       GLN 121 -43.170 -41.051 -26.620
  904    HB2  GLN 121           HB2      GLN 121 -44.069 -38.979 -27.517
  905    HB3  GLN 121           HB1      GLN 121 -44.083 -38.984 -25.755
  906    HG2  GLN 121           HG2      GLN 121 -42.483 -37.314 -25.583
  907    HG3  GLN 121           HG1      GLN 121 -41.658 -37.809 -27.056
  908   HE21  GLN 121          HE21      GLN 121 -42.514 -35.078 -26.330
  909   HE22  GLN 121          HE22      GLN 121 -43.602 -34.578 -27.533
  910    H    PHE 122           HN       PHE 122 -40.120 -39.392 -26.937
  911    HA   PHE 122           HA       PHE 122 -40.101 -40.055 -29.826
  912    HB2  PHE 122           HB2      PHE 122 -38.520 -37.952 -28.329
  913    HB3  PHE 122           HB1      PHE 122 -38.350 -38.326 -30.040
  914    HD1  PHE 122           HD2      PHE 122 -40.968 -38.570 -31.159
  915    HD2  PHE 122           HD1      PHE 122 -39.687 -35.949 -27.998
  916    HE1  PHE 122           HE2      PHE 122 -42.820 -37.034 -31.677
  917    HE2  PHE 122           HE1      PHE 122 -41.537 -34.401 -28.546
  918    HZ   PHE 122           HZ       PHE 122 -43.109 -34.957 -30.380
  919    H    HIS 123           HN       HIS 123 -39.120 -41.300 -27.006
  920    HA   HIS 123           HA       HIS 123 -37.434 -42.753 -26.396
  921    HB2  HIS 123           HB2      HIS 123 -37.538 -43.200 -29.382
  922    HB3  HIS 123           HB1      HIS 123 -36.662 -44.240 -28.255
  923    HD2  HIS 123           HD2      HIS 123 -39.142 -45.778 -29.591
  924    HE1  HIS 123           HE1      HIS 123 -41.350 -44.783 -26.130
  925    HE2  HIS 123           HE2      HIS 123 -41.267 -46.306 -28.163
  926    H    MET 124           HN       MET 124 -36.774 -39.927 -27.669
  927    HA   MET 124           HA       MET 124 -34.067 -40.247 -28.558
  928    HB2  MET 124           HB2      MET 124 -35.719 -37.850 -27.762
  929    HB3  MET 124           HB1      MET 124 -34.038 -37.734 -28.260
  930    HG2  MET 124           HG2      MET 124 -35.768 -39.314 -30.086
  931    HG3  MET 124           HG1      MET 124 -36.145 -37.598 -29.999
  932    HE1  MET 124           HE1      MET 124 -35.422 -38.135 -32.789
  933    HE2  MET 124           HE2      MET 124 -34.213 -36.876 -33.008
  934    HE3  MET 124           HE3      MET 124 -35.596 -36.578 -31.971
  935    H    ARG 125           HN       ARG 125 -32.259 -40.217 -27.366
  936    HA   ARG 125           HA       ARG 125 -32.557 -39.933 -24.444
  937    HB2  ARG 125           HB2      ARG 125 -30.189 -41.108 -24.634
  938    HB3  ARG 125           HB1      ARG 125 -31.666 -42.051 -24.792
  939    HG2  ARG 125           HG2      ARG 125 -31.534 -41.919 -27.231
  940    HG3  ARG 125           HG1      ARG 125 -30.114 -40.879 -27.119
  941    HD2  ARG 125           HD2      ARG 125 -29.465 -43.211 -27.560
  942    HD3  ARG 125           HD1      ARG 125 -28.881 -42.680 -25.985
  943    HE   ARG 125           HE       ARG 125 -30.382 -44.157 -24.967
  944   HH11  ARG 125          HH21      ARG 125 -30.962 -43.881 -28.369
  945   HH12  ARG 125          HH22      ARG 125 -32.043 -45.233 -28.431
  946   HH21  ARG 125          HH11      ARG 125 -31.792 -45.928 -25.043
  947   HH22  ARG 125          HH12      ARG 125 -32.511 -46.392 -26.549
  948    H    GLU 126           HN       GLU 126 -30.840 -38.759 -27.271
  949    HA   GLU 126           HA       GLU 126 -29.834 -36.519 -25.699
  950    HB2  GLU 126           HB2      GLU 126 -27.828 -38.018 -27.369
  951    HB3  GLU 126           HB1      GLU 126 -27.539 -36.792 -26.146
  952    HG2  GLU 126           HG2      GLU 126 -28.361 -38.358 -24.407
  953    HG3  GLU 126           HG1      GLU 126 -28.583 -39.592 -25.646
  954    H    ILE 127           HN       ILE 127 -30.679 -34.928 -26.827
  955    HA   ILE 127           HA       ILE 127 -31.041 -35.026 -29.673
  956    HB   ILE 127           HB       ILE 127 -31.188 -32.521 -27.980
  957   HG12  ILE 127          HG12      ILE 127 -32.563 -34.062 -26.765
  958   HG13  ILE 127          HG11      ILE 127 -33.677 -33.164 -27.797
  959   HG21  ILE 127          HG21      ILE 127 -31.394 -32.172 -30.370
  960   HG22  ILE 127          HG22      ILE 127 -32.981 -31.993 -29.648
  961   HG23  ILE 127          HG23      ILE 127 -32.552 -33.475 -30.505
  962   HD11  ILE 127          HD11      ILE 127 -33.414 -35.047 -29.497
  963   HD12  ILE 127          HD12      ILE 127 -34.283 -35.462 -28.021
  964   HD13  ILE 127          HD13      ILE 127 -32.608 -35.959 -28.222
  965    H    HIS 128           HN       HIS 128 -29.656 -34.532 -31.208
  966    HA   HIS 128           HA       HIS 128 -27.118 -33.200 -30.484
  967    HB2  HIS 128           HB2      HIS 128 -27.820 -34.954 -32.830
  968    HB3  HIS 128           HB1      HIS 128 -26.224 -34.289 -32.494
  969    HD2  HIS 128           HD2      HIS 128 -24.809 -35.645 -30.451
  970    HE1  HIS 128           HE1      HIS 128 -27.803 -38.505 -29.637
  971    HE2  HIS 128           HE2      HIS 128 -25.387 -37.855 -29.186
  972    H    SER 129           HN       SER 129 -29.872 -33.080 -32.673
  973    HA   SER 129           HA       SER 129 -29.207 -30.322 -33.328
  974    HB2  SER 129           HB2      SER 129 -29.125 -32.538 -35.359
  975    HB3  SER 129           HB1      SER 129 -29.493 -30.878 -35.830
  976    HG   SER 129           HG       SER 129 -27.499 -30.420 -34.498
  977    H    CYS 130           HN       CYS 130 -30.944 -29.155 -34.163
  978    HA   CYS 130           HA       CYS 130 -33.512 -30.527 -34.545
  979    HB2  CYS 130           HB2      CYS 130 -33.892 -30.059 -32.305
  980    HB3  CYS 130           HB1      CYS 130 -32.833 -28.649 -32.310
  981    HG   CYS 130           HG       CYS 130 -35.787 -28.524 -32.674
  982    H    LYS 131           HN       LYS 131 -35.055 -29.260 -35.666
  983    HA   LYS 131           HA       LYS 131 -34.017 -26.803 -36.955
  984    HB2  LYS 131           HB2      LYS 131 -35.321 -29.190 -38.275
  985    HB3  LYS 131           HB1      LYS 131 -35.161 -27.615 -39.052
  986    HG2  LYS 131           HG2      LYS 131 -32.729 -27.703 -38.802
  987    HG3  LYS 131           HG1      LYS 131 -32.855 -29.238 -37.943
  988    HD2  LYS 131           HD2      LYS 131 -32.260 -29.661 -40.276
  989    HD3  LYS 131           HD1      LYS 131 -33.888 -30.254 -39.972
  990    HE2  LYS 131           HE2      LYS 131 -34.892 -28.510 -41.172
  991    HE3  LYS 131           HE1      LYS 131 -33.485 -27.456 -41.010
  992    HZ1  LYS 131           HZ1      LYS 131 -33.843 -29.800 -42.770
  993    HZ2  LYS 131           HZ2      LYS 131 -32.294 -29.217 -42.382
  994    HZ3  LYS 131           HZ3      LYS 131 -33.405 -28.217 -43.192
  995    H    VAL 132           HN       VAL 132 -36.004 -25.942 -38.378
  996    HA   VAL 132           HA       VAL 132 -37.968 -24.774 -38.249
  997    HB   VAL 132           HB       VAL 132 -38.989 -27.167 -36.707
  998   HG11  VAL 132          HG11      VAL 132 -41.070 -26.525 -38.082
  999   HG12  VAL 132          HG12      VAL 132 -40.245 -25.009 -38.414
 1000   HG13  VAL 132          HG13      VAL 132 -40.632 -25.455 -36.753
 1001   HG21  VAL 132          HG21      VAL 132 -37.796 -27.929 -38.725
 1002   HG22  VAL 132          HG22      VAL 132 -38.713 -26.785 -39.707
 1003   HG23  VAL 132          HG23      VAL 132 -39.537 -28.132 -38.920
 1004    H    LEU 133           HN       LEU 133 -37.512 -23.054 -36.964
 1005    HA   LEU 133           HA       LEU 133 -37.918 -23.357 -34.043
 1006    HB2  LEU 133           HB2      LEU 133 -36.138 -21.597 -35.701
 1007    HB3  LEU 133           HB1      LEU 133 -36.692 -21.001 -34.135
 1008    HG   LEU 133           HG       LEU 133 -34.503 -22.192 -34.011
 1009   HD11  LEU 133          HD11      LEU 133 -36.206 -24.058 -32.475
 1010   HD12  LEU 133          HD12      LEU 133 -36.650 -22.369 -32.258
 1011   HD13  LEU 133          HD13      LEU 133 -35.017 -22.893 -31.911
 1012   HD21  LEU 133          HD21      LEU 133 -34.233 -24.426 -34.633
 1013   HD22  LEU 133          HD22      LEU 133 -35.367 -23.882 -35.862
 1014   HD23  LEU 133          HD23      LEU 133 -35.950 -24.790 -34.465
 1015    H    GLU 134           HN       GLU 134 -38.834 -21.443 -32.960
 1016    HA   GLU 134           HA       GLU 134 -40.664 -19.881 -34.644
 1017    HB2  GLU 134           HB2      GLU 134 -41.505 -22.095 -33.129
 1018    HB3  GLU 134           HB1      GLU 134 -41.953 -20.712 -32.141
 1019    HG2  GLU 134           HG2      GLU 134 -42.746 -21.275 -35.002
 1020    HG3  GLU 134           HG1      GLU 134 -43.794 -21.177 -33.591
 1021    H    GLY 135           HN       GLY 135 -40.094 -17.842 -34.246
 1022    HA2  GLY 135           HA2      GLY 135 -39.204 -16.007 -33.121
 1023    HA3  GLY 135           HA1      GLY 135 -40.544 -16.368 -32.038
 1024    H    VAL 136           HN       VAL 136 -40.171 -17.602 -30.167
 1025    HA   VAL 136           HA       VAL 136 -37.335 -17.830 -29.336
 1026    HB   VAL 136           HB       VAL 136 -39.645 -17.213 -27.504
 1027   HG11  VAL 136          HG11      VAL 136 -36.632 -16.964 -27.259
 1028   HG12  VAL 136          HG12      VAL 136 -37.640 -18.160 -26.448
 1029   HG13  VAL 136          HG13      VAL 136 -37.788 -16.461 -26.027
 1030   HG21  VAL 136          HG21      VAL 136 -37.866 -15.381 -29.105
 1031   HG22  VAL 136          HG22      VAL 136 -38.558 -14.862 -27.573
 1032   HG23  VAL 136          HG23      VAL 136 -39.617 -15.320 -28.900
 1033    H    TRP 137           HN       TRP 137 -36.906 -19.489 -27.798
 1034    HA   TRP 137           HA       TRP 137 -38.908 -21.633 -27.558
 1035    HB2  TRP 137           HB2      TRP 137 -37.388 -21.891 -29.637
 1036    HB3  TRP 137           HB1      TRP 137 -36.097 -22.233 -28.483
 1037    HD1  TRP 137           HD1      TRP 137 -36.157 -24.478 -27.196
 1038    HE1  TRP 137           HE1      TRP 137 -37.589 -26.623 -27.439
 1039    HE3  TRP 137           HE3      TRP 137 -39.795 -22.734 -30.294
 1040    HZ2  TRP 137           HZ2      TRP 137 -39.983 -27.452 -28.767
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.636 -24.212 -31.039
 1042    HH2  TRP 137           HH2      TRP 137 -41.731 -26.565 -30.276
 1043    H    ILE 138           HN       ILE 138 -38.063 -23.422 -26.110
 1044    HA   ILE 138           HA       ILE 138 -36.022 -22.557 -24.179
 1045    HB   ILE 138           HB       ILE 138 -38.884 -23.187 -23.417
 1046   HG12  ILE 138          HG12      ILE 138 -37.134 -20.766 -22.871
 1047   HG13  ILE 138          HG11      ILE 138 -38.391 -20.844 -24.103
 1048   HG21  ILE 138          HG21      ILE 138 -37.503 -24.343 -21.827
 1049   HG22  ILE 138          HG22      ILE 138 -37.986 -22.844 -21.049
 1050   HG23  ILE 138          HG23      ILE 138 -36.369 -22.996 -21.736
 1051   HD11  ILE 138          HD11      ILE 138 -38.680 -20.805 -21.117
 1052   HD12  ILE 138          HD12      ILE 138 -39.936 -21.560 -22.097
 1053   HD13  ILE 138          HD13      ILE 138 -39.540 -19.858 -22.328
 1054    H    PHE 139           HN       PHE 139 -34.702 -24.202 -23.809
 1055    HA   PHE 139           HA       PHE 139 -35.759 -26.982 -24.057
 1056    HB2  PHE 139           HB2      PHE 139 -33.280 -25.677 -25.004
 1057    HB3  PHE 139           HB1      PHE 139 -32.943 -27.148 -24.083
 1058    HD1  PHE 139           HD1      PHE 139 -35.968 -26.492 -26.207
 1059    HD2  PHE 139           HD2      PHE 139 -32.257 -28.622 -25.802
 1060    HE1  PHE 139           HE1      PHE 139 -36.587 -27.922 -28.120
 1061    HE2  PHE 139           HE2      PHE 139 -32.884 -30.056 -27.723
 1062    HZ   PHE 139           HZ       PHE 139 -35.047 -29.703 -28.882
 1063    H    TYR 140           HN       TYR 140 -35.752 -28.261 -22.349
 1064    HA   TYR 140           HA       TYR 140 -34.516 -27.193 -19.863
 1065    HB2  TYR 140           HB2      TYR 140 -36.961 -28.852 -20.431
 1066    HB3  TYR 140           HB1      TYR 140 -36.199 -28.933 -18.844
 1067    HD1  TYR 140           HD2      TYR 140 -35.672 -26.640 -17.708
 1068    HD2  TYR 140           HD1      TYR 140 -38.500 -27.144 -20.885
 1069    HE1  TYR 140           HE2      TYR 140 -36.773 -24.519 -17.061
 1070    HE2  TYR 140           HE1      TYR 140 -39.601 -25.026 -20.253
 1071    HH   TYR 140           HH       TYR 140 -38.977 -22.919 -19.054
 1072    H    GLU 141           HN       GLU 141 -32.606 -28.130 -19.515
 1073    HA   GLU 141           HA       GLU 141 -31.609 -30.432 -20.613
 1074    HB2  GLU 141           HB2      GLU 141 -30.326 -28.767 -19.250
 1075    HB3  GLU 141           HB1      GLU 141 -31.018 -29.498 -17.802
 1076    HG2  GLU 141           HG2      GLU 141 -30.051 -31.685 -18.459
 1077    HG3  GLU 141           HG1      GLU 141 -29.336 -30.923 -19.876
 1078    H    LEU 142           HN       LEU 142 -33.947 -30.137 -18.063
 1079    HA   LEU 142           HA       LEU 142 -33.842 -33.066 -17.659
 1080    HB2  LEU 142           HB2      LEU 142 -33.893 -30.869 -15.754
 1081    HB3  LEU 142           HB1      LEU 142 -35.234 -31.980 -15.470
 1082    HG   LEU 142           HG       LEU 142 -33.523 -33.861 -15.546
 1083   HD11  LEU 142          HD11      LEU 142 -31.155 -33.098 -15.106
 1084   HD12  LEU 142          HD12      LEU 142 -31.663 -31.460 -15.521
 1085   HD13  LEU 142          HD13      LEU 142 -31.733 -32.741 -16.732
 1086   HD21  LEU 142          HD21      LEU 142 -32.700 -33.394 -13.260
 1087   HD22  LEU 142          HD22      LEU 142 -34.405 -32.976 -13.428
 1088   HD23  LEU 142          HD23      LEU 142 -33.181 -31.704 -13.434
 1089    HA   PRO 143           HA       PRO 143 -37.986 -33.161 -19.089
 1090    HB2  PRO 143           HB2      PRO 143 -39.061 -35.286 -17.811
 1091    HB3  PRO 143           HB1      PRO 143 -37.732 -35.461 -18.974
 1092    HG2  PRO 143           HG2      PRO 143 -37.666 -35.564 -16.004
 1093    HG3  PRO 143           HG1      PRO 143 -36.697 -36.456 -17.184
 1094    HD2  PRO 143           HD2      PRO 143 -35.871 -34.158 -15.778
 1095    HD3  PRO 143           HD1      PRO 143 -35.075 -34.848 -17.193
 1096    H    ASN 144           HN       ASN 144 -40.289 -33.117 -18.508
 1097    HA   ASN 144           HA       ASN 144 -42.110 -32.443 -17.310
 1098    HB2  ASN 144           HB2      ASN 144 -40.417 -31.976 -14.861
 1099    HB3  ASN 144           HB1      ASN 144 -42.119 -32.405 -14.973
 1100   HD21  ASN 144          HD21      ASN 144 -38.854 -33.688 -14.985
 1101   HD22  ASN 144          HD22      ASN 144 -39.293 -35.326 -15.045
 1102    H    TYR 145           HN       TYR 145 -39.801 -30.689 -18.503
 1103    HA   TYR 145           HA       TYR 145 -39.736 -28.452 -19.021
 1104    HB2  TYR 145           HB2      TYR 145 -41.869 -27.787 -17.019
 1105    HB3  TYR 145           HB1      TYR 145 -41.536 -27.077 -18.589
 1106    HD1  TYR 145           HD2      TYR 145 -41.662 -28.874 -20.597
 1107    HD2  TYR 145           HD1      TYR 145 -43.782 -29.154 -16.876
 1108    HE1  TYR 145           HE2      TYR 145 -43.341 -30.327 -21.665
 1109    HE2  TYR 145           HE1      TYR 145 -45.446 -30.647 -17.942
 1110    HH   TYR 145           HH       TYR 145 -46.278 -31.260 -20.070
 1111    H    ARG 146           HN       ARG 146 -38.268 -29.706 -16.774
 1112    HA   ARG 146           HA       ARG 146 -37.600 -27.212 -15.307
 1113    HB2  ARG 146           HB2      ARG 146 -37.936 -29.990 -14.146
 1114    HB3  ARG 146           HB1      ARG 146 -37.247 -28.621 -13.277
 1115    HG2  ARG 146           HG2      ARG 146 -39.341 -27.362 -13.563
 1116    HG3  ARG 146           HG1      ARG 146 -40.038 -28.713 -14.460
 1117    HD2  ARG 146           HD2      ARG 146 -39.745 -30.163 -12.472
 1118    HD3  ARG 146           HD1      ARG 146 -39.101 -28.788 -11.578
 1119    HE   ARG 146           HE       ARG 146 -41.695 -28.263 -12.713
 1120   HH11  ARG 146          HH21      ARG 146 -39.953 -29.702 -10.093
 1121   HH12  ARG 146          HH22      ARG 146 -41.260 -29.556  -8.966
 1122   HH21  ARG 146          HH11      ARG 146 -43.410 -28.070 -11.245
 1123   HH22  ARG 146          HH12      ARG 146 -43.219 -28.633  -9.618
 1124    H    GLY 147           HN       GLY 147 -35.461 -26.781 -15.455
 1125    HA2  GLY 147           HA2      GLY 147 -33.282 -28.304 -15.021
 1126    HA3  GLY 147           HA1      GLY 147 -33.707 -28.746 -16.680
 1127    H    ARG 148           HN       ARG 148 -31.299 -27.618 -16.358
 1128    HA   ARG 148           HA       ARG 148 -31.108 -24.830 -16.379
 1129    HB2  ARG 148           HB2      ARG 148 -29.432 -26.958 -17.720
 1130    HB3  ARG 148           HB1      ARG 148 -29.012 -25.242 -17.768
 1131    HG2  ARG 148           HG2      ARG 148 -29.008 -25.172 -15.298
 1132    HG3  ARG 148           HG1      ARG 148 -29.418 -26.888 -15.251
 1133    HD2  ARG 148           HD2      ARG 148 -27.332 -27.442 -16.411
 1134    HD3  ARG 148           HD1      ARG 148 -26.926 -25.734 -16.534
 1135    HE   ARG 148           HE       ARG 148 -27.377 -26.627 -13.820
 1136   HH11  ARG 148          HH21      ARG 148 -25.130 -26.299 -16.430
 1137   HH12  ARG 148          HH22      ARG 148 -23.732 -26.283 -15.409
 1138   HH21  ARG 148          HH11      ARG 148 -25.548 -26.603 -12.471
 1139   HH22  ARG 148          HH12      ARG 148 -23.969 -26.456 -13.167
 1140    H    GLN 149           HN       GLN 149 -32.336 -23.554 -17.613
 1141    HA   GLN 149           HA       GLN 149 -33.257 -24.335 -20.207
 1142    HB2  GLN 149           HB2      GLN 149 -33.420 -21.739 -18.694
 1143    HB3  GLN 149           HB1      GLN 149 -34.148 -21.984 -20.281
 1144    HG2  GLN 149           HG2      GLN 149 -35.522 -23.784 -19.434
 1145    HG3  GLN 149           HG1      GLN 149 -34.712 -23.724 -17.867
 1146   HE21  GLN 149          HE21      GLN 149 -35.903 -22.614 -16.331
 1147   HE22  GLN 149          HE22      GLN 149 -36.962 -21.322 -16.657
 1148    H    TYR 150           HN       TYR 150 -32.698 -23.472 -22.216
 1149    HA   TYR 150           HA       TYR 150 -30.023 -22.185 -22.331
 1150    HB2  TYR 150           HB2      TYR 150 -31.409 -23.814 -24.476
 1151    HB3  TYR 150           HB1      TYR 150 -29.756 -23.189 -24.518
 1152    HD1  TYR 150           HD1      TYR 150 -32.042 -25.485 -22.801
 1153    HD2  TYR 150           HD2      TYR 150 -27.966 -24.328 -23.346
 1154    HE1  TYR 150           HE1      TYR 150 -31.323 -27.524 -21.590
 1155    HE2  TYR 150           HE2      TYR 150 -27.232 -26.369 -22.124
 1156    HH   TYR 150           HH       TYR 150 -28.011 -27.997 -20.636
 1157    H    LEU 151           HN       LEU 151 -29.714 -20.751 -24.242
 1158    HA   LEU 151           HA       LEU 151 -32.184 -19.184 -24.758
 1159    HB2  LEU 151           HB2      LEU 151 -30.371 -18.069 -23.362
 1160    HB3  LEU 151           HB1      LEU 151 -29.336 -18.147 -24.784
 1161    HG   LEU 151           HG       LEU 151 -31.170 -16.907 -26.046
 1162   HD11  LEU 151          HD11      LEU 151 -32.273 -16.807 -23.243
 1163   HD12  LEU 151          HD12      LEU 151 -33.122 -17.068 -24.766
 1164   HD13  LEU 151          HD13      LEU 151 -32.559 -15.456 -24.339
 1165   HD21  LEU 151          HD21      LEU 151 -29.607 -15.695 -23.763
 1166   HD22  LEU 151          HD22      LEU 151 -30.565 -14.692 -24.855
 1167   HD23  LEU 151          HD23      LEU 151 -29.236 -15.664 -25.488
 1168    H    LEU 152           HN       LEU 152 -32.547 -18.409 -26.811
 1169    HA   LEU 152           HA       LEU 152 -31.680 -20.005 -28.967
 1170    HB2  LEU 152           HB2      LEU 152 -33.136 -17.367 -28.817
 1171    HB3  LEU 152           HB1      LEU 152 -32.773 -18.147 -30.354
 1172    HG   LEU 152           HG       LEU 152 -35.054 -18.689 -29.491
 1173   HD11  LEU 152          HD11      LEU 152 -33.367 -20.353 -30.781
 1174   HD12  LEU 152          HD12      LEU 152 -34.991 -20.834 -30.300
 1175   HD13  LEU 152          HD13      LEU 152 -33.609 -21.289 -29.304
 1176   HD21  LEU 152          HD21      LEU 152 -34.265 -18.668 -27.054
 1177   HD22  LEU 152          HD22      LEU 152 -33.653 -20.299 -27.353
 1178   HD23  LEU 152          HD23      LEU 152 -35.360 -19.959 -27.514
 1179    H    ASP 153           HN       ASP 153 -30.398 -19.484 -30.759
 1180    HA   ASP 153           HA       ASP 153 -28.452 -17.280 -30.370
 1181    HB2  ASP 153           HB2      ASP 153 -27.887 -20.066 -31.414
 1182    HB3  ASP 153           HB1      ASP 153 -26.713 -18.762 -31.249
 1183    H    LYS 154           HN       LYS 154 -27.141 -18.279 -32.873
 1184    HA   LYS 154           HA       LYS 154 -28.619 -16.657 -34.711
 1185    HB2  LYS 154           HB2      LYS 154 -26.258 -18.490 -35.189
 1186    HB3  LYS 154           HB1      LYS 154 -26.830 -17.232 -36.285
 1187    HG2  LYS 154           HG2      LYS 154 -25.869 -16.731 -33.453
 1188    HG3  LYS 154           HG1      LYS 154 -24.874 -16.524 -34.891
 1189    HD2  LYS 154           HD2      LYS 154 -26.756 -14.948 -35.727
 1190    HD3  LYS 154           HD1      LYS 154 -27.307 -14.944 -34.050
 1191    HE2  LYS 154           HE2      LYS 154 -24.501 -14.217 -34.924
 1192    HE3  LYS 154           HE1      LYS 154 -25.769 -13.052 -34.542
 1193    HZ1  LYS 154           HZ1      LYS 154 -24.100 -14.532 -32.778
 1194    HZ2  LYS 154           HZ2      LYS 154 -25.741 -14.804 -32.430
 1195    HZ3  LYS 154           HZ3      LYS 154 -25.122 -13.222 -32.442
 1196    H    LYS 155           HN       LYS 155 -27.352 -19.371 -36.272
 1197    HA   LYS 155           HA       LYS 155 -29.733 -20.021 -37.568
 1198    HB2  LYS 155           HB2      LYS 155 -27.036 -20.813 -37.703
 1199    HB3  LYS 155           HB1      LYS 155 -27.910 -22.307 -37.392
 1200    HG2  LYS 155           HG2      LYS 155 -29.476 -21.619 -39.294
 1201    HG3  LYS 155           HG1      LYS 155 -28.306 -20.365 -39.680
 1202    HD2  LYS 155           HD2      LYS 155 -27.628 -23.313 -39.490
 1203    HD3  LYS 155           HD1      LYS 155 -27.988 -22.479 -41.001
 1204    HE2  LYS 155           HE2      LYS 155 -26.118 -20.834 -40.339
 1205    HE3  LYS 155           HE1      LYS 155 -25.656 -22.037 -39.135
 1206    HZ1  LYS 155           HZ1      LYS 155 -24.574 -23.097 -40.728
 1207    HZ2  LYS 155           HZ2      LYS 155 -25.154 -22.028 -41.914
 1208    HZ3  LYS 155           HZ3      LYS 155 -26.053 -23.410 -41.501
 1209    H    GLU 156           HN       GLU 156 -29.910 -22.834 -37.385
 1210    HA   GLU 156           HA       GLU 156 -31.608 -23.069 -35.060
 1211    HB2  GLU 156           HB2      GLU 156 -31.894 -25.435 -35.987
 1212    HB3  GLU 156           HB1      GLU 156 -32.405 -24.124 -37.043
 1213    HG2  GLU 156           HG2      GLU 156 -29.550 -25.046 -37.246
 1214    HG3  GLU 156           HG1      GLU 156 -30.799 -26.081 -37.939
 1215    H    TYR 157           HN       TYR 157 -30.302 -26.074 -35.578
 1216    HA   TYR 157           HA       TYR 157 -28.027 -25.780 -33.792
 1217    HB2  TYR 157           HB2      TYR 157 -30.171 -27.726 -32.988
 1218    HB3  TYR 157           HB1      TYR 157 -28.843 -27.078 -32.023
 1219    HD1  TYR 157           HD2      TYR 157 -28.885 -24.668 -31.299
 1220    HD2  TYR 157           HD1      TYR 157 -32.235 -26.564 -33.197
 1221    HE1  TYR 157           HE2      TYR 157 -30.361 -22.845 -30.512
 1222    HE2  TYR 157           HE1      TYR 157 -33.711 -24.746 -32.401
 1223    HH   TYR 157           HH       TYR 157 -33.225 -22.159 -31.744
 1224    H    ARG 158           HN       ARG 158 -26.535 -26.772 -35.035
 1225    HA   ARG 158           HA       ARG 158 -27.242 -29.331 -36.319
 1226    HB2  ARG 158           HB2      ARG 158 -24.850 -28.853 -37.360
 1227    HB3  ARG 158           HB1      ARG 158 -26.283 -28.039 -37.979
 1228    HG2  ARG 158           HG2      ARG 158 -25.819 -26.043 -36.794
 1229    HG3  ARG 158           HG1      ARG 158 -24.637 -26.833 -35.756
 1230    HD2  ARG 158           HD2      ARG 158 -23.502 -25.491 -37.466
 1231    HD3  ARG 158           HD1      ARG 158 -23.175 -27.203 -37.715
 1232    HE   ARG 158           HE       ARG 158 -25.452 -26.392 -39.222
 1233   HH11  ARG 158          HH21      ARG 158 -22.003 -26.182 -39.055
 1234   HH12  ARG 158          HH22      ARG 158 -21.791 -26.011 -40.765
 1235   HH21  ARG 158          HH11      ARG 158 -25.186 -26.170 -41.464
 1236   HH22  ARG 158          HH12      ARG 158 -23.598 -26.004 -42.131
 1237    H    LYS 159           HN       LYS 159 -25.297 -27.886 -33.826
 1238    HA   LYS 159           HA       LYS 159 -24.104 -30.537 -33.210
 1239    HB2  LYS 159           HB2      LYS 159 -22.539 -28.532 -31.927
 1240    HB3  LYS 159           HB1      LYS 159 -22.054 -29.559 -33.275
 1241    HG2  LYS 159           HG2      LYS 159 -22.805 -27.953 -34.891
 1242    HG3  LYS 159           HG1      LYS 159 -23.613 -26.991 -33.660
 1243    HD2  LYS 159           HD2      LYS 159 -21.137 -26.885 -32.633
 1244    HD3  LYS 159           HD1      LYS 159 -20.694 -27.170 -34.314
 1245    HE2  LYS 159           HE2      LYS 159 -22.351 -24.898 -33.198
 1246    HE3  LYS 159           HE1      LYS 159 -20.791 -24.789 -34.013
 1247    HZ1  LYS 159           HZ1      LYS 159 -21.967 -24.471 -35.864
 1248    HZ2  LYS 159           HZ2      LYS 159 -23.422 -24.965 -35.138
 1249    HZ3  LYS 159           HZ3      LYS 159 -22.361 -26.119 -35.794
 1250    HA   PRO 160           HA       PRO 160 -25.987 -30.435 -29.260
 1251    HB2  PRO 160           HB2      PRO 160 -23.919 -31.244 -27.590
 1252    HB3  PRO 160           HB1      PRO 160 -24.888 -32.310 -28.591
 1253    HG2  PRO 160           HG2      PRO 160 -22.200 -31.204 -29.118
 1254    HG3  PRO 160           HG1      PRO 160 -22.837 -32.822 -29.455
 1255    HD2  PRO 160           HD2      PRO 160 -22.583 -30.960 -31.403
 1256    HD3  PRO 160           HD1      PRO 160 -23.900 -32.140 -31.400
 1257    H    ILE 161           HN       ILE 161 -23.205 -28.469 -29.809
 1258    HA   ILE 161           HA       ILE 161 -23.601 -27.012 -27.286
 1259    HB   ILE 161           HB       ILE 161 -21.440 -26.654 -29.363
 1260   HG12  ILE 161          HG12      ILE 161 -20.293 -27.973 -27.191
 1261   HG13  ILE 161          HG11      ILE 161 -21.850 -28.774 -27.330
 1262   HG21  ILE 161          HG21      ILE 161 -21.484 -24.760 -27.967
 1263   HG22  ILE 161          HG22      ILE 161 -20.263 -25.790 -27.225
 1264   HG23  ILE 161          HG23      ILE 161 -21.879 -25.705 -26.530
 1265   HD11  ILE 161          HD11      ILE 161 -20.268 -29.979 -28.701
 1266   HD12  ILE 161          HD12      ILE 161 -19.755 -28.492 -29.500
 1267   HD13  ILE 161          HD13      ILE 161 -21.376 -29.126 -29.777
 1268    H    ASP 162           HN       ASP 162 -24.652 -26.964 -30.396
 1269    HA   ASP 162           HA       ASP 162 -24.425 -24.296 -31.165
 1270    HB2  ASP 162           HB2      ASP 162 -25.407 -26.447 -32.382
 1271    HB3  ASP 162           HB1      ASP 162 -26.924 -25.787 -31.824
 1272    H    TRP 163           HN       TRP 163 -26.549 -25.840 -28.857
 1273    HA   TRP 163           HA       TRP 163 -28.076 -23.324 -28.546
 1274    HB2  TRP 163           HB2      TRP 163 -29.539 -24.887 -27.071
 1275    HB3  TRP 163           HB1      TRP 163 -29.626 -25.059 -28.823
 1276    HD1  TRP 163           HD1      TRP 163 -27.205 -26.475 -26.166
 1277    HE1  TRP 163           HE1      TRP 163 -26.984 -29.001 -26.565
 1278    HE3  TRP 163           HE3      TRP 163 -30.345 -27.069 -30.144
 1279    HZ2  TRP 163           HZ2      TRP 163 -27.953 -30.978 -28.293
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.643 -29.312 -31.170
 1281    HH2  TRP 163           HH2      TRP 163 -29.412 -31.263 -30.238
 1282    H    GLY 164           HN       GLY 164 -25.291 -23.982 -27.547
 1283    HA2  GLY 164           HA2      GLY 164 -24.082 -23.321 -25.715
 1284    HA3  GLY 164           HA1      GLY 164 -25.586 -22.711 -25.030
 1285    H    ALA 165           HN       ALA 165 -25.195 -26.126 -25.888
 1286    HA   ALA 165           HA       ALA 165 -25.161 -26.746 -22.974
 1287    HB1  ALA 165           HB1      ALA 165 -26.141 -28.517 -25.206
 1288    HB2  ALA 165           HB2      ALA 165 -27.195 -27.540 -24.185
 1289    HB3  ALA 165           HB3      ALA 165 -26.249 -28.842 -23.487
 1290    H    ALA 166           HN       ALA 166 -23.668 -28.092 -22.165
 1291    HA   ALA 166           HA       ALA 166 -21.321 -28.533 -23.797
 1292    HB1  ALA 166           HB1      ALA 166 -20.324 -29.377 -21.727
 1293    HB2  ALA 166           HB2      ALA 166 -21.899 -29.335 -20.936
 1294    HB3  ALA 166           HB3      ALA 166 -21.129 -27.832 -21.443
 1295    H    SER 167           HN       SER 167 -23.953 -30.010 -24.289
 1296    HA   SER 167           HA       SER 167 -22.887 -32.424 -25.165
 1297    HB2  SER 167           HB2      SER 167 -23.559 -32.370 -22.316
 1298    HB3  SER 167           HB1      SER 167 -24.338 -33.692 -23.174
 1299    HG   SER 167           HG       SER 167 -21.629 -33.132 -23.648
 1300    HA   PRO 168           HA       PRO 168 -27.007 -32.563 -26.908
 1301    HB2  PRO 168           HB2      PRO 168 -27.098 -35.138 -27.825
 1302    HB3  PRO 168           HB1      PRO 168 -26.128 -33.893 -28.608
 1303    HG2  PRO 168           HG2      PRO 168 -25.278 -36.024 -26.731
 1304    HG3  PRO 168           HG1      PRO 168 -24.449 -35.399 -28.164
 1305    HD2  PRO 168           HD2      PRO 168 -23.762 -34.675 -25.594
 1306    HD3  PRO 168           HD1      PRO 168 -23.502 -33.634 -27.007
 1307    H    ALA 169           HN       ALA 169 -26.216 -33.961 -24.041
 1308    HA   ALA 169           HA       ALA 169 -28.421 -35.793 -23.740
 1309    HB1  ALA 169           HB1      ALA 169 -26.179 -35.939 -22.543
 1310    HB2  ALA 169           HB2      ALA 169 -27.605 -36.100 -21.518
 1311    HB3  ALA 169           HB3      ALA 169 -26.717 -34.577 -21.561
 1312    H    VAL 170           HN       VAL 170 -29.982 -34.007 -24.496
 1313    HA   VAL 170           HA       VAL 170 -30.699 -32.175 -22.302
 1314    HB   VAL 170           HB       VAL 170 -32.039 -32.279 -24.993
 1315   HG11  VAL 170          HG11      VAL 170 -32.954 -30.276 -24.361
 1316   HG12  VAL 170          HG12      VAL 170 -31.433 -29.681 -23.694
 1317   HG13  VAL 170          HG13      VAL 170 -32.474 -30.717 -22.730
 1318   HG21  VAL 170          HG21      VAL 170 -29.672 -32.217 -25.516
 1319   HG22  VAL 170          HG22      VAL 170 -29.392 -30.981 -24.289
 1320   HG23  VAL 170          HG23      VAL 170 -30.320 -30.591 -25.737
 1321    H    GLN 171           HN       GLN 171 -33.455 -32.041 -23.234
 1322    HA   GLN 171           HA       GLN 171 -34.573 -34.666 -22.848
 1323    HB2  GLN 171           HB2      GLN 171 -34.792 -32.591 -20.668
 1324    HB3  GLN 171           HB1      GLN 171 -35.996 -33.855 -20.858
 1325    HG2  GLN 171           HG2      GLN 171 -33.043 -34.313 -20.425
 1326    HG3  GLN 171           HG1      GLN 171 -34.302 -34.505 -19.252
 1327   HE21  GLN 171          HE21      GLN 171 -32.558 -36.216 -21.586
 1328   HE22  GLN 171          HE22      GLN 171 -33.594 -37.557 -21.713
 1329    H    SER 172           HN       SER 172 -36.972 -32.919 -21.715
 1330    HA   SER 172           HA       SER 172 -38.119 -32.616 -24.377
 1331    HB2  SER 172           HB2      SER 172 -39.021 -33.846 -22.216
 1332    HB3  SER 172           HB1      SER 172 -39.722 -32.258 -21.920
 1333    HG   SER 172           HG       SER 172 -40.076 -34.037 -24.087
 1334    H    PHE 173           HN       PHE 173 -40.225 -30.855 -23.492
 1335    HA   PHE 173           HA       PHE 173 -39.125 -28.375 -22.711
 1336    HB2  PHE 173           HB2      PHE 173 -39.198 -27.222 -24.895
 1337    HB3  PHE 173           HB1      PHE 173 -37.981 -28.506 -24.857
 1338    HD1  PHE 173           HD1      PHE 173 -41.400 -27.638 -25.995
 1339    HD2  PHE 173           HD2      PHE 173 -38.157 -30.441 -26.232
 1340    HE1  PHE 173           HE1      PHE 173 -42.516 -28.766 -27.901
 1341    HE2  PHE 173           HE2      PHE 173 -39.270 -31.571 -28.136
 1342    HZ   PHE 173           HZ       PHE 173 -41.451 -30.735 -28.970
 1343    H    ARG 174           HN       ARG 174 -40.665 -26.539 -23.738
 1344    HA   ARG 174           HA       ARG 174 -43.390 -27.410 -24.049
 1345    HB2  ARG 174           HB2      ARG 174 -44.166 -26.040 -22.054
 1346    HB3  ARG 174           HB1      ARG 174 -43.425 -27.594 -21.705
 1347    HG2  ARG 174           HG2      ARG 174 -41.435 -26.632 -20.917
 1348    HG3  ARG 174           HG1      ARG 174 -41.700 -25.125 -21.782
 1349    HD2  ARG 174           HD2      ARG 174 -43.411 -26.068 -19.471
 1350    HD3  ARG 174           HD1      ARG 174 -42.059 -24.940 -19.312
 1351    HE   ARG 174           HE       ARG 174 -43.687 -23.883 -21.284
 1352   HH11  ARG 174          HH21      ARG 174 -43.928 -24.808 -17.961
 1353   HH12  ARG 174          HH22      ARG 174 -45.133 -23.626 -17.573
 1354   HH21  ARG 174          HH11      ARG 174 -45.265 -22.327 -20.788
 1355   HH22  ARG 174          HH12      ARG 174 -45.890 -22.218 -19.176
 1356    H    ARG 175           HN       ARG 175 -44.466 -25.975 -25.245
 1357    HA   ARG 175           HA       ARG 175 -43.273 -23.776 -26.419
 1358    HB2  ARG 175           HB2      ARG 175 -45.578 -23.090 -27.045
 1359    HB3  ARG 175           HB1      ARG 175 -45.313 -24.808 -27.310
 1360    HG2  ARG 175           HG2      ARG 175 -46.342 -25.268 -25.078
 1361    HG3  ARG 175           HG1      ARG 175 -46.740 -23.555 -24.963
 1362    HD2  ARG 175           HD2      ARG 175 -48.048 -23.713 -27.048
 1363    HD3  ARG 175           HD1      ARG 175 -47.663 -25.428 -27.156
 1364    HE   ARG 175           HE       ARG 175 -49.563 -24.184 -25.331
 1365   HH11  ARG 175          HH21      ARG 175 -47.608 -26.925 -26.133
 1366   HH12  ARG 175          HH22      ARG 175 -48.553 -28.046 -25.211
 1367   HH21  ARG 175          HH11      ARG 175 -50.805 -25.649 -24.114
 1368   HH22  ARG 175          HH12      ARG 175 -50.363 -27.323 -24.067
 1369    H    ILE 176           HN       ILE 176 -42.970 -21.724 -25.921
 1370    HA   ILE 176           HA       ILE 176 -43.260 -20.838 -23.230
 1371    HB   ILE 176           HB       ILE 176 -42.811 -19.081 -25.648
 1372   HG12  ILE 176          HG12      ILE 176 -40.838 -20.755 -24.067
 1373   HG13  ILE 176          HG11      ILE 176 -41.239 -20.938 -25.774
 1374   HG21  ILE 176          HG21      ILE 176 -41.704 -18.829 -22.844
 1375   HG22  ILE 176          HG22      ILE 176 -43.253 -18.120 -23.301
 1376   HG23  ILE 176          HG23      ILE 176 -41.773 -17.596 -24.104
 1377   HD11  ILE 176          HD11      ILE 176 -40.531 -18.349 -25.804
 1378   HD12  ILE 176          HD12      ILE 176 -39.355 -19.645 -26.006
 1379   HD13  ILE 176          HD13      ILE 176 -39.559 -18.869 -24.435
 1380    H    VAL 177           HN       VAL 177 -44.872 -19.720 -22.261
 1381    HA   VAL 177           HA       VAL 177 -47.002 -18.539 -23.929
 1382    HB   VAL 177           HB       VAL 177 -48.715 -19.546 -22.465
 1383   HG11  VAL 177          HG11      VAL 177 -48.682 -21.702 -23.486
 1384   HG12  VAL 177          HG12      VAL 177 -46.921 -21.716 -23.564
 1385   HG13  VAL 177          HG13      VAL 177 -47.840 -20.640 -24.614
 1386   HG21  VAL 177          HG21      VAL 177 -47.516 -19.929 -20.430
 1387   HG22  VAL 177          HG22      VAL 177 -46.278 -20.876 -21.253
 1388   HG23  VAL 177          HG23      VAL 177 -47.904 -21.529 -21.058
 1389    H    GLU 178           HN       GLU 178 -48.281 -16.963 -22.809
 1390    HA   GLU 178           HA       GLU 178 -47.611 -16.165 -20.138
 1391    HB2  GLU 178           HB2      GLU 178 -45.698 -15.304 -21.681
 1392    HB3  GLU 178           HB1      GLU 178 -46.886 -14.133 -22.247
 1393    HG2  GLU 178           HG2      GLU 178 -45.716 -13.086 -20.441
 1394    HG3  GLU 178           HG1      GLU 178 -47.291 -13.558 -19.806
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1 -38.472   1.127 -28.226
    2    H2   GLY   1           HT2      GLY   1 -37.718   0.872 -26.726
    3    H3   GLY   1           HT3      GLY   1 -37.663   2.403 -27.457
    4    HA2  GLY   1           HA2      GLY   1 -39.629   1.311 -25.731
    5    HA3  GLY   1           HA1      GLY   1 -39.456   2.969 -26.309
    6    H    SER   2           HN       SER   2 -40.110  -0.142 -27.920
    7    HA   SER   2           HA       SER   2 -42.078   1.085 -29.651
    8    HB2  SER   2           HB2      SER   2 -42.072  -0.917 -30.838
    9    HB3  SER   2           HB1      SER   2 -40.449  -0.921 -30.148
   10    HG   SER   2           HG       SER   2 -42.766  -2.289 -29.267
   11    H    LYS   3           HN       LYS   3 -44.186  -0.302 -29.929
   12    HA   LYS   3           HA       LYS   3 -46.015   0.234 -28.053
   13    HB2  LYS   3           HB2      LYS   3 -47.207  -1.920 -28.762
   14    HB3  LYS   3           HB1      LYS   3 -46.784  -0.790 -30.047
   15    HG2  LYS   3           HG2      LYS   3 -44.709  -2.103 -30.485
   16    HG3  LYS   3           HG1      LYS   3 -45.210  -3.263 -29.258
   17    HD2  LYS   3           HD2      LYS   3 -46.914  -2.564 -31.658
   18    HD3  LYS   3           HD1      LYS   3 -45.764  -3.899 -31.656
   19    HE2  LYS   3           HE2      LYS   3 -46.985  -4.732 -29.546
   20    HE3  LYS   3           HE1      LYS   3 -48.253  -3.581 -29.969
   21    HZ1  LYS   3           HZ1      LYS   3 -47.376  -5.982 -31.406
   22    HZ2  LYS   3           HZ2      LYS   3 -48.041  -4.692 -32.285
   23    HZ3  LYS   3           HZ3      LYS   3 -48.947  -5.446 -31.061
   24    H    THR   4           HN       THR   4 -43.987  -2.698 -27.996
   25    HA   THR   4           HA       THR   4 -45.057  -3.822 -25.654
   26    HB   THR   4           HB       THR   4 -43.524  -4.935 -27.343
   27    HG1  THR   4           HG1      THR   4 -44.010  -5.706 -25.169
   28   HG21  THR   4          HG21      THR   4 -41.241  -4.501 -27.390
   29   HG22  THR   4          HG22      THR   4 -41.215  -3.916 -25.729
   30   HG23  THR   4          HG23      THR   4 -41.839  -2.886 -27.016
   31    H    GLY   5           HN       GLY   5 -43.168  -4.220 -23.821
   32    HA2  GLY   5           HA2      GLY   5 -41.517  -2.172 -22.982
   33    HA3  GLY   5           HA1      GLY   5 -43.115  -1.767 -22.366
   34    H    THR   6           HN       THR   6 -40.620  -4.270 -22.379
   35    HA   THR   6           HA       THR   6 -41.842  -5.709 -20.157
   36    HB   THR   6           HB       THR   6 -40.142  -7.307 -20.477
   37    HG1  THR   6           HG1      THR   6 -38.587  -5.755 -22.162
   38   HG21  THR   6          HG21      THR   6 -41.691  -7.011 -22.442
   39   HG22  THR   6          HG22      THR   6 -40.134  -7.734 -22.852
   40   HG23  THR   6          HG23      THR   6 -40.439  -6.034 -23.208
   41    H    LYS   7           HN       LYS   7 -40.669  -6.080 -18.162
   42    HA   LYS   7           HA       LYS   7 -38.486  -4.353 -17.424
   43    HB2  LYS   7           HB2      LYS   7 -40.029  -2.630 -17.087
   44    HB3  LYS   7           HB1      LYS   7 -41.283  -3.737 -16.536
   45    HG2  LYS   7           HG2      LYS   7 -40.257  -4.037 -14.418
   46    HG3  LYS   7           HG1      LYS   7 -38.727  -3.337 -14.978
   47    HD2  LYS   7           HD2      LYS   7 -39.615  -1.148 -15.006
   48    HD3  LYS   7           HD1      LYS   7 -41.274  -1.728 -14.921
   49    HE2  LYS   7           HE2      LYS   7 -41.105  -2.277 -12.647
   50    HE3  LYS   7           HE1      LYS   7 -39.346  -2.370 -12.690
   51    HZ1  LYS   7           HZ1      LYS   7 -41.084  -0.015 -12.536
   52    HZ2  LYS   7           HZ2      LYS   7 -39.587   0.135 -13.326
   53    HZ3  LYS   7           HZ3      LYS   7 -39.648  -0.354 -11.701
   54    H    ILE   8           HN       ILE   8 -37.563  -4.873 -15.417
   55    HA   ILE   8           HA       ILE   8 -38.768  -7.039 -13.867
   56    HB   ILE   8           HB       ILE   8 -37.423  -8.157 -15.631
   57   HG12  ILE   8          HG12      ILE   8 -36.057  -8.509 -12.955
   58   HG13  ILE   8          HG11      ILE   8 -37.737  -8.992 -13.185
   59   HG21  ILE   8          HG21      ILE   8 -35.680  -6.448 -15.910
   60   HG22  ILE   8          HG22      ILE   8 -34.965  -7.999 -15.477
   61   HG23  ILE   8          HG23      ILE   8 -35.114  -6.738 -14.266
   62   HD11  ILE   8          HD11      ILE   8 -37.178 -10.612 -14.805
   63   HD12  ILE   8          HD12      ILE   8 -35.917 -10.782 -13.586
   64   HD13  ILE   8          HD13      ILE   8 -35.581  -9.915 -15.083
   65    H    THR   9           HN       THR   9 -38.200  -7.098 -11.739
   66    HA   THR   9           HA       THR   9 -36.219  -5.099 -10.869
   67    HB   THR   9           HB       THR   9 -38.835  -5.787  -9.531
   68    HG1  THR   9           HG1      THR   9 -39.420  -4.341 -10.956
   69   HG21  THR   9          HG21      THR   9 -36.558  -3.948  -8.763
   70   HG22  THR   9          HG22      THR   9 -37.165  -5.330  -7.854
   71   HG23  THR   9          HG23      THR   9 -38.155  -3.882  -8.022
   72    H    PHE  10           HN       PHE  10 -34.783  -5.692  -9.334
   73    HA   PHE  10           HA       PHE  10 -34.979  -8.455  -8.279
   74    HB2  PHE  10           HB2      PHE  10 -32.463  -6.881  -8.879
   75    HB3  PHE  10           HB1      PHE  10 -32.569  -8.569  -8.381
   76    HD1  PHE  10           HD2      PHE  10 -33.728 -10.229  -9.916
   77    HD2  PHE  10           HD1      PHE  10 -32.686  -6.256 -11.157
   78    HE1  PHE  10           HE2      PHE  10 -33.963 -10.912 -12.290
   79    HE2  PHE  10           HE1      PHE  10 -32.914  -6.936 -13.528
   80    HZ   PHE  10           HZ       PHE  10 -33.556  -9.264 -14.096
   81    H    TYR  11           HN       TYR  11 -35.437  -8.386  -6.166
   82    HA   TYR  11           HA       TYR  11 -34.680  -6.044  -4.577
   83    HB2  TYR  11           HB2      TYR  11 -36.495  -8.401  -4.090
   84    HB3  TYR  11           HB1      TYR  11 -36.129  -7.201  -2.864
   85    HD1  TYR  11           HD1      TYR  11 -37.817  -7.807  -6.087
   86    HD2  TYR  11           HD2      TYR  11 -36.923  -4.911  -3.042
   87    HE1  TYR  11           HE1      TYR  11 -39.571  -6.307  -6.996
   88    HE2  TYR  11           HE2      TYR  11 -38.682  -3.414  -3.949
   89    HH   TYR  11           HH       TYR  11 -40.005  -3.740  -6.954
   90    H    GLU  12           HN       GLU  12 -33.277  -6.060  -2.966
   91    HA   GLU  12           HA       GLU  12 -31.248  -7.984  -2.896
   92    HB2  GLU  12           HB2      GLU  12 -31.331  -5.506  -2.021
   93    HB3  GLU  12           HB1      GLU  12 -31.816  -6.258  -0.509
   94    HG2  GLU  12           HG2      GLU  12 -29.351  -7.127  -2.039
   95    HG3  GLU  12           HG1      GLU  12 -29.321  -5.860  -0.830
   96    H    ASP  13           HN       ASP  13 -33.929  -7.386  -0.633
   97    HA   ASP  13           HA       ASP  13 -33.422  -9.995   0.626
   98    HB2  ASP  13           HB2      ASP  13 -35.185  -7.663   1.420
   99    HB3  ASP  13           HB1      ASP  13 -35.093  -9.187   2.300
  100    H    LYS  14           HN       LYS  14 -35.723 -10.819   1.458
  101    HA   LYS  14           HA       LYS  14 -37.066 -11.674  -0.952
  102    HB2  LYS  14           HB2      LYS  14 -37.329 -12.406   1.957
  103    HB3  LYS  14           HB1      LYS  14 -38.396 -13.052   0.719
  104    HG2  LYS  14           HG2      LYS  14 -36.758 -14.708   0.717
  105    HG3  LYS  14           HG1      LYS  14 -36.084 -13.643  -0.505
  106    HD2  LYS  14           HD2      LYS  14 -34.230 -13.947   0.873
  107    HD3  LYS  14           HD1      LYS  14 -34.916 -12.492   1.585
  108    HE2  LYS  14           HE2      LYS  14 -36.052 -13.823   3.292
  109    HE3  LYS  14           HE1      LYS  14 -35.458 -15.310   2.556
  110    HZ1  LYS  14           HZ1      LYS  14 -34.168 -14.393   4.510
  111    HZ2  LYS  14           HZ2      LYS  14 -33.629 -13.173   3.458
  112    HZ3  LYS  14           HZ3      LYS  14 -33.272 -14.802   3.132
  113    H    ASN  15           HN       ASN  15 -39.574 -12.037  -0.441
  114    HA   ASN  15           HA       ASN  15 -41.581 -10.954  -0.674
  115    HB2  ASN  15           HB2      ASN  15 -40.784  -9.408   1.784
  116    HB3  ASN  15           HB1      ASN  15 -42.367 -10.034   1.329
  117   HD21  ASN  15          HD21      ASN  15 -40.897 -12.646   0.492
  118   HD22  ASN  15          HD22      ASN  15 -40.668 -13.444   1.976
  119    H    PHE  16           HN       PHE  16 -39.175  -9.629  -1.847
  120    HA   PHE  16           HA       PHE  16 -38.708  -7.758  -3.020
  121    HB2  PHE  16           HB2      PHE  16 -41.431  -6.633  -2.472
  122    HB3  PHE  16           HB1      PHE  16 -40.462  -6.547  -3.946
  123    HD1  PHE  16           HD2      PHE  16 -39.958  -8.779  -5.148
  124    HD2  PHE  16           HD1      PHE  16 -43.092  -8.285  -2.262
  125    HE1  PHE  16           HE2      PHE  16 -41.096 -10.792  -6.042
  126    HE2  PHE  16           HE1      PHE  16 -44.228 -10.303  -3.147
  127    HZ   PHE  16           HZ       PHE  16 -43.230 -11.553  -5.039
  128    H    GLN  17           HN       GLN  17 -37.960  -7.756  -0.325
  129    HA   GLN  17           HA       GLN  17 -38.471  -4.993   0.583
  130    HB2  GLN  17           HB2      GLN  17 -37.563  -7.480   2.039
  131    HB3  GLN  17           HB1      GLN  17 -37.537  -5.870   2.759
  132    HG2  GLN  17           HG2      GLN  17 -39.932  -5.634   2.455
  133    HG3  GLN  17           HG1      GLN  17 -40.010  -7.160   1.568
  134   HE21  GLN  17          HE21      GLN  17 -39.036  -9.104   2.935
  135   HE22  GLN  17          HE22      GLN  17 -39.494  -9.137   4.575
  136    H    GLY  18           HN       GLY  18 -36.546  -4.131   1.868
  137    HA2  GLY  18           HA2      GLY  18 -34.365  -3.420   1.942
  138    HA3  GLY  18           HA1      GLY  18 -33.915  -4.926   1.154
  139    H    ARG  19           HN       ARG  19 -32.415  -3.773  -0.035
  140    HA   ARG  19           HA       ARG  19 -32.884  -1.569  -1.716
  141    HB2  ARG  19           HB2      ARG  19 -30.695  -3.279  -1.271
  142    HB3  ARG  19           HB1      ARG  19 -31.040  -3.469  -2.988
  143    HG2  ARG  19           HG2      ARG  19 -31.001  -1.002  -3.251
  144    HG3  ARG  19           HG1      ARG  19 -30.574  -0.847  -1.547
  145    HD2  ARG  19           HD2      ARG  19 -28.543  -2.199  -1.937
  146    HD3  ARG  19           HD1      ARG  19 -28.968  -2.331  -3.641
  147    HE   ARG  19           HE       ARG  19 -28.334  -0.096  -3.948
  148   HH11  ARG  19          HH21      ARG  19 -28.370  -1.007  -0.610
  149   HH12  ARG  19          HH22      ARG  19 -27.533   0.410  -0.071
  150   HH21  ARG  19          HH11      ARG  19 -27.245   1.769  -3.249
  151   HH22  ARG  19          HH12      ARG  19 -26.895   1.983  -1.567
  152    H    ARG  20           HN       ARG  20 -32.717  -1.823  -4.280
  153    HA   ARG  20           HA       ARG  20 -33.967  -4.060  -5.438
  154    HB2  ARG  20           HB2      ARG  20 -36.128  -3.190  -5.980
  155    HB3  ARG  20           HB1      ARG  20 -35.927  -3.056  -4.233
  156    HG2  ARG  20           HG2      ARG  20 -36.527  -0.855  -4.521
  157    HG3  ARG  20           HG1      ARG  20 -34.879  -0.635  -5.103
  158    HD2  ARG  20           HD2      ARG  20 -35.827  -1.340  -7.414
  159    HD3  ARG  20           HD1      ARG  20 -37.401  -1.003  -6.704
  160    HE   ARG  20           HE       ARG  20 -35.636   1.180  -6.247
  161   HH11  ARG  20          HH21      ARG  20 -37.485  -0.440  -8.673
  162   HH12  ARG  20          HH22      ARG  20 -37.726   0.978  -9.638
  163   HH21  ARG  20          HH11      ARG  20 -35.943   3.051  -7.502
  164   HH22  ARG  20          HH12      ARG  20 -36.852   2.958  -8.974
  165    H    TYR  21           HN       TYR  21 -34.009  -3.887  -7.727
  166    HA   TYR  21           HA       TYR  21 -32.946  -1.367  -8.869
  167    HB2  TYR  21           HB2      TYR  21 -31.118  -3.097  -8.602
  168    HB3  TYR  21           HB1      TYR  21 -32.031  -4.129  -9.705
  169    HD1  TYR  21           HD1      TYR  21 -30.688  -0.648  -9.422
  170    HD2  TYR  21           HD2      TYR  21 -31.697  -3.910 -12.029
  171    HE1  TYR  21           HE1      TYR  21 -29.745   0.597 -11.343
  172    HE2  TYR  21           HE2      TYR  21 -30.750  -2.660 -13.952
  173    HH   TYR  21           HH       TYR  21 -29.834  -0.763 -14.641
  174    H    ASP  22           HN       ASP  22 -34.020  -0.749 -10.681
  175    HA   ASP  22           HA       ASP  22 -35.896  -2.702 -11.913
  176    HB2  ASP  22           HB2      ASP  22 -37.345  -0.757 -12.413
  177    HB3  ASP  22           HB1      ASP  22 -37.125  -1.005 -10.681
  178    H    CYS  23           HN       CYS  23 -35.730  -3.005 -14.068
  179    HA   CYS  23           HA       CYS  23 -34.410  -0.979 -15.735
  180    HB2  CYS  23           HB2      CYS  23 -33.385  -3.453 -16.685
  181    HB3  CYS  23           HB1      CYS  23 -32.476  -2.180 -15.875
  182    HG   CYS  23           HG       CYS  23 -33.069  -3.402 -13.571
  183    H    ASP  24           HN       ASP  24 -35.163  -0.901 -17.797
  184    HA   ASP  24           HA       ASP  24 -37.180  -2.900 -18.590
  185    HB2  ASP  24           HB2      ASP  24 -38.585  -1.207 -19.462
  186    HB3  ASP  24           HB1      ASP  24 -38.118  -0.663 -17.855
  187    H    CYS  25           HN       CYS  25 -34.203  -2.260 -19.208
  188    HA   CYS  25           HA       CYS  25 -34.444  -2.774 -22.085
  189    HB2  CYS  25           HB2      CYS  25 -33.179  -0.330 -20.879
  190    HB3  CYS  25           HB1      CYS  25 -32.511  -1.009 -22.365
  191    HG   CYS  25           HG       CYS  25 -35.014   0.627 -22.223
  192    H    ASP  26           HN       ASP  26 -32.711  -3.932 -22.925
  193    HA   ASP  26           HA       ASP  26 -31.363  -5.775 -21.507
  194    HB2  ASP  26           HB2      ASP  26 -31.330  -5.388 -24.027
  195    HB3  ASP  26           HB1      ASP  26 -29.988  -4.283 -23.741
  196    H    CYS  27           HN       CYS  27 -29.200  -5.992 -20.661
  197    HA   CYS  27           HA       CYS  27 -27.658  -3.599 -20.099
  198    HB2  CYS  27           HB2      CYS  27 -29.329  -4.968 -18.018
  199    HB3  CYS  27           HB1      CYS  27 -27.770  -4.289 -17.547
  200    HG   CYS  27           HG       CYS  27 -29.937  -2.557 -17.506
  201    H    ALA  28           HN       ALA  28 -25.625  -4.136 -18.961
  202    HA   ALA  28           HA       ALA  28 -24.664  -6.779 -19.815
  203    HB1  ALA  28           HB1      ALA  28 -23.164  -4.376 -18.752
  204    HB2  ALA  28           HB2      ALA  28 -23.356  -4.801 -20.451
  205    HB3  ALA  28           HB3      ALA  28 -22.432  -5.854 -19.378
  206    H    ASP  29           HN       ASP  29 -24.384  -4.701 -16.932
  207    HA   ASP  29           HA       ASP  29 -24.779  -7.001 -15.179
  208    HB2  ASP  29           HB2      ASP  29 -22.354  -7.048 -15.696
  209    HB3  ASP  29           HB1      ASP  29 -22.216  -5.405 -15.070
  210    H    PHE  30           HN       PHE  30 -26.304  -6.225 -13.897
  211    HA   PHE  30           HA       PHE  30 -26.148  -3.439 -12.920
  212    HB2  PHE  30           HB2      PHE  30 -28.450  -3.443 -12.732
  213    HB3  PHE  30           HB1      PHE  30 -28.276  -4.633 -14.022
  214    HD1  PHE  30           HD2      PHE  30 -28.304  -7.079 -13.443
  215    HD2  PHE  30           HD1      PHE  30 -29.296  -4.046 -10.596
  216    HE1  PHE  30           HE2      PHE  30 -29.399  -8.785 -12.009
  217    HE2  PHE  30           HE1      PHE  30 -30.404  -5.735  -9.166
  218    HZ   PHE  30           HZ       PHE  30 -30.462  -8.110  -9.874
  219    H    HIS  31           HN       HIS  31 -24.854  -6.174 -12.014
  220    HA   HIS  31           HA       HIS  31 -25.738  -6.724  -9.402
  221    HB2  HIS  31           HB2      HIS  31 -24.244  -8.230 -10.610
  222    HB3  HIS  31           HB1      HIS  31 -22.963  -7.015 -10.565
  223    HD2  HIS  31           HD2      HIS  31 -21.604  -6.833  -8.105
  224    HE1  HIS  31           HE1      HIS  31 -23.912  -9.699  -6.035
  225    HE2  HIS  31           HE2      HIS  31 -21.847  -8.228  -5.911
  226    H    THR  32           HN       THR  32 -23.713  -4.234 -10.699
  227    HA   THR  32           HA       THR  32 -22.433  -3.418  -8.324
  228    HB   THR  32           HB       THR  32 -22.165  -1.220  -9.445
  229    HG1  THR  32           HG1      THR  32 -23.166  -0.879 -11.382
  230   HG21  THR  32          HG21      THR  32 -21.761  -3.608 -11.268
  231   HG22  THR  32          HG22      THR  32 -20.669  -3.125  -9.970
  232   HG23  THR  32          HG23      THR  32 -20.899  -2.073 -11.365
  233    H    TYR  33           HN       TYR  33 -25.663  -2.889  -9.515
  234    HA   TYR  33           HA       TYR  33 -26.268  -0.849  -7.516
  235    HB2  TYR  33           HB2      TYR  33 -27.988  -2.209  -9.590
  236    HB3  TYR  33           HB1      TYR  33 -28.518  -0.899  -8.538
  237    HD1  TYR  33           HD2      TYR  33 -27.056   1.277  -8.549
  238    HD2  TYR  33           HD1      TYR  33 -26.969  -1.692 -11.645
  239    HE1  TYR  33           HE2      TYR  33 -26.069   2.933 -10.110
  240    HE2  TYR  33           HE1      TYR  33 -25.979  -0.040 -13.207
  241    HH   TYR  33           HH       TYR  33 -25.990   3.235 -12.661
  242    H    LEU  34           HN       LEU  34 -26.283  -4.231  -7.700
  243    HA   LEU  34           HA       LEU  34 -27.816  -4.380  -5.201
  244    HB2  LEU  34           HB2      LEU  34 -29.289  -4.877  -7.252
  245    HB3  LEU  34           HB1      LEU  34 -28.338  -6.346  -7.428
  246    HG   LEU  34           HG       LEU  34 -28.898  -6.910  -5.056
  247   HD11  LEU  34          HD11      LEU  34 -29.580  -5.082  -3.852
  248   HD12  LEU  34          HD12      LEU  34 -31.176  -5.566  -4.414
  249   HD13  LEU  34          HD13      LEU  34 -30.298  -4.289  -5.251
  250   HD21  LEU  34          HD21      LEU  34 -30.176  -8.049  -6.697
  251   HD22  LEU  34          HD22      LEU  34 -31.070  -6.589  -7.106
  252   HD23  LEU  34          HD23      LEU  34 -31.374  -7.397  -5.574
  253    H    SER  35           HN       SER  35 -27.010  -5.841  -3.774
  254    HA   SER  35           HA       SER  35 -24.529  -7.224  -4.575
  255    HB2  SER  35           HB2      SER  35 -25.694  -6.377  -1.937
  256    HB3  SER  35           HB1      SER  35 -24.381  -7.548  -2.017
  257    HG   SER  35           HG       SER  35 -23.187  -5.814  -2.130
  258    H    ARG  36           HN       ARG  36 -27.801  -7.873  -4.076
  259    HA   ARG  36           HA       ARG  36 -27.336 -10.733  -4.243
  260    HB2  ARG  36           HB2      ARG  36 -27.247 -10.301  -1.796
  261    HB3  ARG  36           HB1      ARG  36 -28.859  -9.597  -1.896
  262    HG2  ARG  36           HG2      ARG  36 -29.751 -11.729  -2.751
  263    HG3  ARG  36           HG1      ARG  36 -28.134 -12.426  -2.669
  264    HD2  ARG  36           HD2      ARG  36 -29.480 -13.042  -0.716
  265    HD3  ARG  36           HD1      ARG  36 -28.089 -12.071  -0.245
  266    HE   ARG  36           HE       ARG  36 -30.344 -10.400  -0.694
  267   HH11  ARG  36          HH21      ARG  36 -29.048 -12.751   1.494
  268   HH12  ARG  36          HH22      ARG  36 -29.876 -12.120   2.877
  269   HH21  ARG  36          HH11      ARG  36 -31.430  -9.570   1.118
  270   HH22  ARG  36          HH12      ARG  36 -31.222 -10.319   2.666
  271    H    CYS  37           HN       CYS  37 -29.093 -11.839  -5.066
  272    HA   CYS  37           HA       CYS  37 -31.365 -10.140  -5.921
  273    HB2  CYS  37           HB2      CYS  37 -30.681 -12.757  -7.218
  274    HB3  CYS  37           HB1      CYS  37 -31.422 -11.313  -7.916
  275    HG   CYS  37           HG       CYS  37 -29.173 -10.374  -8.392
  276    H    ASN  38           HN       ASN  38 -32.919 -10.390  -4.488
  277    HA   ASN  38           HA       ASN  38 -33.924 -13.112  -3.950
  278    HB2  ASN  38           HB2      ASN  38 -33.728 -10.766  -2.066
  279    HB3  ASN  38           HB1      ASN  38 -34.681 -12.207  -1.738
  280   HD21  ASN  38          HD21      ASN  38 -32.530 -11.549  -0.016
  281   HD22  ASN  38          HD22      ASN  38 -31.287 -12.688  -0.232
  282    H    SER  39           HN       SER  39 -36.199 -13.169  -3.648
  283    HA   SER  39           HA       SER  39 -38.210 -12.825  -4.683
  284    HB2  SER  39           HB2      SER  39 -39.333 -10.809  -3.697
  285    HB3  SER  39           HB1      SER  39 -38.610 -11.917  -2.564
  286    HG   SER  39           HG       SER  39 -36.785 -10.545  -2.493
  287    H    ILE  40           HN       ILE  40 -39.096 -12.262  -6.484
  288    HA   ILE  40           HA       ILE  40 -38.259  -9.771  -7.852
  289    HB   ILE  40           HB       ILE  40 -37.910 -12.578  -8.873
  290   HG12  ILE  40          HG12      ILE  40 -36.026 -10.242  -9.256
  291   HG13  ILE  40          HG11      ILE  40 -36.040 -11.102  -7.722
  292   HG21  ILE  40          HG21      ILE  40 -37.356 -11.359 -11.109
  293   HG22  ILE  40          HG22      ILE  40 -38.340 -10.049 -10.457
  294   HG23  ILE  40          HG23      ILE  40 -39.049 -11.644 -10.709
  295   HD11  ILE  40          HD11      ILE  40 -35.787 -13.246  -9.198
  296   HD12  ILE  40          HD12      ILE  40 -34.385 -12.216  -8.954
  297   HD13  ILE  40          HD13      ILE  40 -35.300 -12.111 -10.456
  298    H    LYS  41           HN       LYS  41 -39.740  -8.914  -9.227
  299    HA   LYS  41           HA       LYS  41 -42.099 -10.439 -10.026
  300    HB2  LYS  41           HB2      LYS  41 -43.563  -8.489  -9.130
  301    HB3  LYS  41           HB1      LYS  41 -43.032  -9.745  -8.015
  302    HG2  LYS  41           HG2      LYS  41 -41.400  -8.393  -7.055
  303    HG3  LYS  41           HG1      LYS  41 -41.369  -7.278  -8.398
  304    HD2  LYS  41           HD2      LYS  41 -42.549  -6.460  -6.275
  305    HD3  LYS  41           HD1      LYS  41 -43.448  -6.297  -7.782
  306    HE2  LYS  41           HE2      LYS  41 -44.894  -8.056  -7.263
  307    HE3  LYS  41           HE1      LYS  41 -43.774  -8.790  -6.115
  308    HZ1  LYS  41           HZ1      LYS  41 -44.116  -6.847  -4.668
  309    HZ2  LYS  41           HZ2      LYS  41 -45.551  -7.716  -4.937
  310    HZ3  LYS  41           HZ3      LYS  41 -45.273  -6.253  -5.753
  311    H    VAL  42           HN       VAL  42 -41.803 -10.070 -12.188
  312    HA   VAL  42           HA       VAL  42 -40.861  -7.655 -13.234
  313    HB   VAL  42           HB       VAL  42 -42.232 -10.107 -14.296
  314   HG11  VAL  42          HG11      VAL  42 -43.199  -8.649 -15.812
  315   HG12  VAL  42          HG12      VAL  42 -41.687  -8.970 -16.622
  316   HG13  VAL  42          HG13      VAL  42 -41.905  -7.493 -15.726
  317   HG21  VAL  42          HG21      VAL  42 -39.764 -10.014 -13.741
  318   HG22  VAL  42          HG22      VAL  42 -39.584  -8.849 -15.048
  319   HG23  VAL  42          HG23      VAL  42 -40.134 -10.483 -15.398
  320    H    GLU  43           HN       GLU  43 -41.921  -6.030 -14.321
  321    HA   GLU  43           HA       GLU  43 -44.817  -5.750 -13.784
  322    HB2  GLU  43           HB2      GLU  43 -42.643  -3.644 -13.818
  323    HB3  GLU  43           HB1      GLU  43 -44.364  -3.324 -13.629
  324    HG2  GLU  43           HG2      GLU  43 -44.373  -4.799 -11.616
  325    HG3  GLU  43           HG1      GLU  43 -42.632  -4.979 -11.779
  326    H    GLY  44           HN       GLY  44 -44.105  -7.031 -16.074
  327    HA2  GLY  44           HA2      GLY  44 -45.112  -5.270 -18.102
  328    HA3  GLY  44           HA1      GLY  44 -43.398  -5.592 -18.322
  329    H    GLY  45           HN       GLY  45 -42.719  -7.600 -19.035
  330    HA2  GLY  45           HA2      GLY  45 -44.779  -9.657 -19.578
  331    HA3  GLY  45           HA1      GLY  45 -43.748  -9.077 -20.883
  332    H    THR  46           HN       THR  46 -42.588 -10.924 -21.304
  333    HA   THR  46           HA       THR  46 -41.442 -12.494 -19.169
  334    HB   THR  46           HB       THR  46 -41.057 -12.661 -22.164
  335    HG1  THR  46           HG1      THR  46 -43.178 -13.054 -21.456
  336   HG21  THR  46          HG21      THR  46 -39.220 -13.806 -21.238
  337   HG22  THR  46          HG22      THR  46 -40.424 -15.075 -21.453
  338   HG23  THR  46          HG23      THR  46 -40.156 -14.381 -19.857
  339    H    TRP  47           HN       TRP  47 -39.091 -13.071 -19.243
  340    HA   TRP  47           HA       TRP  47 -37.281 -11.023 -20.241
  341    HB2  TRP  47           HB2      TRP  47 -38.069 -11.274 -17.382
  342    HB3  TRP  47           HB1      TRP  47 -36.358 -11.015 -17.700
  343    HD1  TRP  47           HD1      TRP  47 -39.561  -9.266 -17.396
  344    HE1  TRP  47           HE1      TRP  47 -39.258  -6.772 -17.971
  345    HE3  TRP  47           HE3      TRP  47 -34.993  -9.421 -19.637
  346    HZ2  TRP  47           HZ2      TRP  47 -37.385  -5.092 -19.317
  347    HZ3  TRP  47           HZ3      TRP  47 -33.978  -7.362 -20.570
  348    HH2  TRP  47           HH2      TRP  47 -35.164  -5.196 -20.406
  349    H    ALA  48           HN       ALA  48 -35.092 -11.588 -20.031
  350    HA   ALA  48           HA       ALA  48 -34.586 -14.459 -19.505
  351    HB1  ALA  48           HB1      ALA  48 -32.566 -13.941 -21.106
  352    HB2  ALA  48           HB2      ALA  48 -33.556 -12.576 -21.620
  353    HB3  ALA  48           HB3      ALA  48 -34.161 -14.219 -21.804
  354    H    VAL  49           HN       VAL  49 -33.369 -14.739 -17.762
  355    HA   VAL  49           HA       VAL  49 -31.543 -12.548 -16.909
  356    HB   VAL  49           HB       VAL  49 -31.860 -13.614 -14.602
  357   HG11  VAL  49          HG11      VAL  49 -33.881 -12.344 -14.186
  358   HG12  VAL  49          HG12      VAL  49 -34.332 -12.422 -15.888
  359   HG13  VAL  49          HG13      VAL  49 -32.935 -11.471 -15.390
  360   HG21  VAL  49          HG21      VAL  49 -32.911 -15.701 -15.649
  361   HG22  VAL  49          HG22      VAL  49 -34.364 -14.734 -15.868
  362   HG23  VAL  49          HG23      VAL  49 -33.738 -15.033 -14.246
  363    H    TYR  50           HN       TYR  50 -29.456 -13.000 -16.700
  364    HA   TYR  50           HA       TYR  50 -28.573 -15.801 -17.048
  365    HB2  TYR  50           HB2      TYR  50 -27.131 -13.170 -17.468
  366    HB3  TYR  50           HB1      TYR  50 -26.380 -14.758 -17.634
  367    HD1  TYR  50           HD1      TYR  50 -28.972 -12.488 -19.003
  368    HD2  TYR  50           HD2      TYR  50 -26.813 -16.161 -19.536
  369    HE1  TYR  50           HE1      TYR  50 -29.848 -12.668 -21.316
  370    HE2  TYR  50           HE2      TYR  50 -27.691 -16.344 -21.848
  371    HH   TYR  50           HH       TYR  50 -29.054 -13.829 -23.499
  372    H    GLU  51           HN       GLU  51 -28.245 -16.766 -15.148
  373    HA   GLU  51           HA       GLU  51 -28.035 -15.835 -12.639
  374    HB2  GLU  51           HB2      GLU  51 -27.875 -18.237 -13.344
  375    HB3  GLU  51           HB1      GLU  51 -26.169 -17.961 -13.693
  376    HG2  GLU  51           HG2      GLU  51 -25.856 -17.207 -11.326
  377    HG3  GLU  51           HG1      GLU  51 -27.534 -17.639 -11.006
  378    H    ARG  52           HN       ARG  52 -25.456 -15.732 -15.042
  379    HA   ARG  52           HA       ARG  52 -23.759 -14.254 -13.121
  380    HB2  ARG  52           HB2      ARG  52 -23.016 -15.974 -15.485
  381    HB3  ARG  52           HB1      ARG  52 -21.877 -14.943 -14.626
  382    HG2  ARG  52           HG2      ARG  52 -22.355 -16.124 -12.531
  383    HG3  ARG  52           HG1      ARG  52 -23.541 -17.135 -13.358
  384    HD2  ARG  52           HD2      ARG  52 -21.164 -18.085 -13.005
  385    HD3  ARG  52           HD1      ARG  52 -21.900 -18.272 -14.591
  386    HE   ARG  52           HE       ARG  52 -20.546 -16.000 -14.955
  387   HH11  ARG  52          HH21      ARG  52 -19.646 -18.950 -13.378
  388   HH12  ARG  52          HH22      ARG  52 -17.959 -18.780 -13.727
  389   HH21  ARG  52          HH11      ARG  52 -18.339 -15.775 -15.411
  390   HH22  ARG  52          HH12      ARG  52 -17.219 -16.983 -14.878
  391    HA   PRO  53           HA       PRO  53 -24.149 -10.737 -15.811
  392    HB2  PRO  53           HB2      PRO  53 -21.798  -9.433 -15.263
  393    HB3  PRO  53           HB1      PRO  53 -23.149  -9.482 -14.121
  394    HG2  PRO  53           HG2      PRO  53 -20.677 -11.157 -14.187
  395    HG3  PRO  53           HG1      PRO  53 -21.474 -10.382 -12.804
  396    HD2  PRO  53           HD2      PRO  53 -21.799 -13.017 -13.336
  397    HD3  PRO  53           HD1      PRO  53 -23.111 -12.034 -12.644
  398    H    ASN  54           HN       ASN  54 -23.260  -9.744 -17.687
  399    HA   ASN  54           HA       ASN  54 -21.966  -9.581 -19.590
  400    HB2  ASN  54           HB2      ASN  54 -20.451 -12.087 -18.883
  401    HB3  ASN  54           HB1      ASN  54 -19.941 -10.717 -19.860
  402   HD21  ASN  54          HD21      ASN  54 -19.681 -12.054 -16.751
  403   HD22  ASN  54          HD22      ASN  54 -19.139 -10.666 -15.935
  404    H    PHE  55           HN       PHE  55 -23.966 -12.051 -18.585
  405    HA   PHE  55           HA       PHE  55 -25.523 -13.205 -19.837
  406    HB2  PHE  55           HB2      PHE  55 -23.849 -12.883 -22.326
  407    HB3  PHE  55           HB1      PHE  55 -25.566 -13.221 -22.190
  408    HD1  PHE  55           HD2      PHE  55 -26.763 -11.374 -20.489
  409    HD2  PHE  55           HD1      PHE  55 -23.409 -10.697 -23.092
  410    HE1  PHE  55           HE2      PHE  55 -27.281  -8.958 -20.526
  411    HE2  PHE  55           HE1      PHE  55 -23.936  -8.270 -23.124
  412    HZ   PHE  55           HZ       PHE  55 -25.875  -7.404 -21.842
  413    H    ALA  56           HN       ALA  56 -24.105 -14.592 -18.277
  414    HA   ALA  56           HA       ALA  56 -23.441 -17.012 -19.778
  415    HB1  ALA  56           HB1      ALA  56 -21.485 -15.613 -17.946
  416    HB2  ALA  56           HB2      ALA  56 -21.254 -16.041 -19.641
  417    HB3  ALA  56           HB3      ALA  56 -21.335 -17.307 -18.415
  418    H    GLY  57           HN       GLY  57 -22.817 -18.792 -18.029
  419    HA2  GLY  57           HA2      GLY  57 -23.307 -19.893 -16.041
  420    HA3  GLY  57           HA1      GLY  57 -24.092 -18.432 -15.451
  421    H    TYR  58           HN       TYR  58 -25.699 -19.985 -14.648
  422    HA   TYR  58           HA       TYR  58 -27.330 -21.500 -16.421
  423    HB2  TYR  58           HB2      TYR  58 -27.714 -20.510 -13.598
  424    HB3  TYR  58           HB1      TYR  58 -28.954 -21.427 -14.436
  425    HD1  TYR  58           HD1      TYR  58 -25.229 -21.584 -13.900
  426    HD2  TYR  58           HD2      TYR  58 -28.949 -23.724 -14.077
  427    HE1  TYR  58           HE1      TYR  58 -24.049 -23.687 -13.333
  428    HE2  TYR  58           HE2      TYR  58 -27.773 -25.819 -13.501
  429    HH   TYR  58           HH       TYR  58 -24.303 -25.836 -12.740
  430    H    MET  59           HN       MET  59 -28.766 -20.771 -17.818
  431    HA   MET  59           HA       MET  59 -29.744 -18.002 -17.586
  432    HB2  MET  59           HB2      MET  59 -30.154 -19.884 -19.903
  433    HB3  MET  59           HB1      MET  59 -30.256 -18.128 -19.879
  434    HG2  MET  59           HG2      MET  59 -28.142 -18.468 -20.828
  435    HG3  MET  59           HG1      MET  59 -27.737 -18.261 -19.126
  436    HE1  MET  59           HE1      MET  59 -26.519 -19.830 -21.875
  437    HE2  MET  59           HE2      MET  59 -25.580 -21.111 -21.114
  438    HE3  MET  59           HE3      MET  59 -25.482 -19.467 -20.489
  439    H    TYR  60           HN       TYR  60 -31.834 -17.519 -17.246
  440    HA   TYR  60           HA       TYR  60 -33.856 -19.666 -17.347
  441    HB2  TYR  60           HB2      TYR  60 -32.941 -19.363 -14.982
  442    HB3  TYR  60           HB1      TYR  60 -33.665 -17.761 -15.008
  443    HD1  TYR  60           HD2      TYR  60 -36.150 -17.526 -15.407
  444    HD2  TYR  60           HD1      TYR  60 -34.267 -21.310 -14.647
  445    HE1  TYR  60           HE2      TYR  60 -38.356 -18.516 -14.848
  446    HE2  TYR  60           HE1      TYR  60 -36.472 -22.296 -14.089
  447    HH   TYR  60           HH       TYR  60 -39.092 -21.500 -14.894
  448    H    ILE  61           HN       ILE  61 -35.882 -18.961 -17.926
  449    HA   ILE  61           HA       ILE  61 -36.067 -16.146 -18.816
  450    HB   ILE  61           HB       ILE  61 -37.666 -18.595 -19.595
  451   HG12  ILE  61          HG12      ILE  61 -36.580 -18.085 -21.831
  452   HG13  ILE  61          HG11      ILE  61 -35.559 -16.923 -20.986
  453   HG21  ILE  61          HG21      ILE  61 -39.164 -16.767 -19.752
  454   HG22  ILE  61          HG22      ILE  61 -38.524 -16.965 -21.383
  455   HG23  ILE  61          HG23      ILE  61 -37.907 -15.680 -20.343
  456   HD11  ILE  61          HD11      ILE  61 -34.332 -18.555 -19.934
  457   HD12  ILE  61          HD12      ILE  61 -34.815 -19.470 -21.354
  458   HD13  ILE  61          HD13      ILE  61 -35.678 -19.687 -19.843
  459    H    LEU  62           HN       LEU  62 -36.660 -15.211 -16.816
  460    HA   LEU  62           HA       LEU  62 -38.765 -16.258 -15.224
  461    HB2  LEU  62           HB2      LEU  62 -36.849 -14.105 -15.101
  462    HB3  LEU  62           HB1      LEU  62 -38.433 -13.481 -14.666
  463    HG   LEU  62           HG       LEU  62 -37.271 -16.018 -13.449
  464   HD11  LEU  62          HD11      LEU  62 -37.041 -13.135 -12.582
  465   HD12  LEU  62          HD12      LEU  62 -35.746 -14.306 -12.824
  466   HD13  LEU  62          HD13      LEU  62 -36.848 -14.477 -11.456
  467   HD21  LEU  62          HD21      LEU  62 -39.685 -14.280 -12.933
  468   HD22  LEU  62          HD22      LEU  62 -38.957 -15.162 -11.593
  469   HD23  LEU  62          HD23      LEU  62 -39.566 -16.036 -12.997
  470    HA   PRO  63           HA       PRO  63 -41.835 -14.426 -18.026
  471    HB2  PRO  63           HB2      PRO  63 -43.987 -15.881 -17.299
  472    HB3  PRO  63           HB1      PRO  63 -42.670 -16.566 -18.272
  473    HG2  PRO  63           HG2      PRO  63 -43.249 -16.905 -15.369
  474    HG3  PRO  63           HG1      PRO  63 -42.623 -18.079 -16.539
  475    HD2  PRO  63           HD2      PRO  63 -41.054 -16.627 -14.717
  476    HD3  PRO  63           HD1      PRO  63 -40.454 -17.456 -16.159
  477    H    GLN  64           HN       GLN  64 -43.828 -13.173 -17.802
  478    HA   GLN  64           HA       GLN  64 -43.803 -11.307 -15.749
  479    HB2  GLN  64           HB2      GLN  64 -45.101 -11.395 -18.051
  480    HB3  GLN  64           HB1      GLN  64 -46.410 -12.042 -17.067
  481    HG2  GLN  64           HG2      GLN  64 -45.041  -9.362 -16.811
  482    HG3  GLN  64           HG1      GLN  64 -46.740  -9.679 -17.113
  483   HE21  GLN  64          HE21      GLN  64 -44.535  -8.929 -14.639
  484   HE22  GLN  64          HE22      GLN  64 -45.498  -9.379 -13.315
  485    H    GLY  65           HN       GLY  65 -44.156 -11.579 -13.634
  486    HA2  GLY  65           HA2      GLY  65 -46.480 -12.513 -12.472
  487    HA3  GLY  65           HA1      GLY  65 -45.407 -13.906 -12.549
  488    H    GLU  66           HN       GLU  66 -46.010 -13.332 -10.093
  489    HA   GLU  66           HA       GLU  66 -43.992 -11.503  -8.985
  490    HB2  GLU  66           HB2      GLU  66 -46.403 -12.825  -7.737
  491    HB3  GLU  66           HB1      GLU  66 -45.255 -11.805  -6.866
  492    HG2  GLU  66           HG2      GLU  66 -45.739  -9.931  -8.363
  493    HG3  GLU  66           HG1      GLU  66 -46.834 -10.942  -9.300
  494    H    TYR  67           HN       TYR  67 -42.638 -12.185  -7.274
  495    HA   TYR  67           HA       TYR  67 -42.401 -15.042  -6.751
  496    HB2  TYR  67           HB2      TYR  67 -40.026 -13.504  -7.818
  497    HB3  TYR  67           HB1      TYR  67 -40.061 -15.170  -7.335
  498    HD1  TYR  67           HD1      TYR  67 -41.715 -12.830  -9.792
  499    HD2  TYR  67           HD2      TYR  67 -40.601 -16.868  -8.875
  500    HE1  TYR  67           HE1      TYR  67 -42.465 -13.537 -12.017
  501    HE2  TYR  67           HE2      TYR  67 -41.370 -17.577 -11.112
  502    HH   TYR  67           HH       TYR  67 -43.053 -15.354 -13.254
  503    HA   PRO  68           HA       PRO  68 -41.991 -12.407  -2.981
  504    HB2  PRO  68           HB2      PRO  68 -42.681 -15.044  -1.768
  505    HB3  PRO  68           HB1      PRO  68 -43.356 -13.437  -1.443
  506    HG2  PRO  68           HG2      PRO  68 -44.711 -15.266  -2.848
  507    HG3  PRO  68           HG1      PRO  68 -44.807 -13.538  -3.235
  508    HD2  PRO  68           HD2      PRO  68 -43.314 -15.708  -4.665
  509    HD3  PRO  68           HD1      PRO  68 -44.116 -14.266  -5.328
  510    H    GLU  69           HN       GLU  69 -40.423 -15.321  -4.020
  511    HA   GLU  69           HA       GLU  69 -38.065 -14.607  -2.459
  512    HB2  GLU  69           HB2      GLU  69 -39.451 -17.296  -2.186
  513    HB3  GLU  69           HB1      GLU  69 -37.834 -16.929  -1.586
  514    HG2  GLU  69           HG2      GLU  69 -38.810 -15.104  -0.203
  515    HG3  GLU  69           HG1      GLU  69 -40.410 -15.586  -0.727
  516    H    TYR  70           HN       TYR  70 -36.190 -15.927  -3.172
  517    HA   TYR  70           HA       TYR  70 -36.090 -16.111  -5.988
  518    HB2  TYR  70           HB2      TYR  70 -33.878 -17.330  -5.504
  519    HB3  TYR  70           HB1      TYR  70 -34.033 -15.673  -4.914
  520    HD1  TYR  70           HD2      TYR  70 -34.690 -15.274  -2.507
  521    HD2  TYR  70           HD1      TYR  70 -33.579 -19.147  -3.997
  522    HE1  TYR  70           HE2      TYR  70 -34.334 -16.059  -0.186
  523    HE2  TYR  70           HE1      TYR  70 -33.213 -19.934  -1.671
  524    HH   TYR  70           HH       TYR  70 -33.298 -19.405   0.486
  525    H    GLN  71           HN       GLN  71 -36.143 -18.678  -3.483
  526    HA   GLN  71           HA       GLN  71 -36.015 -20.956  -4.933
  527    HB2  GLN  71           HB2      GLN  71 -38.078 -20.522  -2.786
  528    HB3  GLN  71           HB1      GLN  71 -37.336 -22.053  -3.264
  529    HG2  GLN  71           HG2      GLN  71 -35.090 -20.998  -2.664
  530    HG3  GLN  71           HG1      GLN  71 -36.015 -19.693  -1.917
  531   HE21  GLN  71          HE21      GLN  71 -38.191 -21.680  -1.132
  532   HE22  GLN  71          HE22      GLN  71 -37.549 -22.495   0.219
  533    H    ARG  72           HN       ARG  72 -38.347 -18.588  -5.379
  534    HA   ARG  72           HA       ARG  72 -40.470 -20.243  -6.364
  535    HB2  ARG  72           HB2      ARG  72 -39.883 -17.317  -6.758
  536    HB3  ARG  72           HB1      ARG  72 -41.425 -18.095  -7.085
  537    HG2  ARG  72           HG2      ARG  72 -40.142 -18.184  -4.349
  538    HG3  ARG  72           HG1      ARG  72 -41.175 -16.843  -4.839
  539    HD2  ARG  72           HD2      ARG  72 -42.977 -18.486  -5.376
  540    HD3  ARG  72           HD1      ARG  72 -41.949 -19.767  -4.745
  541    HE   ARG  72           HE       ARG  72 -42.477 -17.548  -2.928
  542   HH11  ARG  72          HH21      ARG  72 -43.275 -20.721  -4.062
  543   HH12  ARG  72          HH22      ARG  72 -44.085 -21.189  -2.607
  544   HH21  ARG  72          HH11      ARG  72 -43.544 -18.157  -1.012
  545   HH22  ARG  72          HH12      ARG  72 -44.241 -19.738  -0.882
  546    H    TRP  73           HN       TRP  73 -37.448 -19.506  -7.618
  547    HA   TRP  73           HA       TRP  73 -38.401 -19.787 -10.428
  548    HB2  TRP  73           HB2      TRP  73 -36.372 -18.633 -11.112
  549    HB3  TRP  73           HB1      TRP  73 -37.310 -17.632 -10.012
  550    HD1  TRP  73           HD1      TRP  73 -35.577 -20.229  -8.030
  551    HE1  TRP  73           HE1      TRP  73 -33.490 -19.324  -6.945
  552    HE3  TRP  73           HE3      TRP  73 -35.153 -15.821 -10.547
  553    HZ2  TRP  73           HZ2      TRP  73 -31.849 -17.085  -7.105
  554    HZ3  TRP  73           HZ3      TRP  73 -33.291 -14.285 -10.023
  555    HH2  TRP  73           HH2      TRP  73 -31.633 -14.892  -8.287
  556    H    MET  74           HN       MET  74 -37.725 -21.852  -8.357
  557    HA   MET  74           HA       MET  74 -36.965 -24.033  -8.590
  558    HB2  MET  74           HB2      MET  74 -35.098 -23.057 -10.774
  559    HB3  MET  74           HB1      MET  74 -35.352 -24.715 -10.279
  560    HG2  MET  74           HG2      MET  74 -37.581 -22.951 -11.320
  561    HG3  MET  74           HG1      MET  74 -36.649 -24.055 -12.332
  562    HE1  MET  74           HE1      MET  74 -40.212 -25.534 -11.818
  563    HE2  MET  74           HE2      MET  74 -39.318 -24.212 -12.569
  564    HE3  MET  74           HE3      MET  74 -40.082 -23.971 -10.999
  565    H    GLY  75           HN       GLY  75 -35.890 -21.719  -7.009
  566    HA2  GLY  75           HA2      GLY  75 -33.976 -21.134  -5.771
  567    HA3  GLY  75           HA1      GLY  75 -34.260 -22.783  -5.227
  568    H    LEU  76           HN       LEU  76 -32.799 -21.179  -8.063
  569    HA   LEU  76           HA       LEU  76 -30.646 -23.167  -8.076
  570    HB2  LEU  76           HB2      LEU  76 -31.173 -20.889  -9.983
  571    HB3  LEU  76           HB1      LEU  76 -30.105 -22.265 -10.247
  572    HG   LEU  76           HG       LEU  76 -33.092 -22.493  -9.797
  573   HD11  LEU  76          HD11      LEU  76 -31.490 -22.553 -12.369
  574   HD12  LEU  76          HD12      LEU  76 -32.668 -21.326 -11.901
  575   HD13  LEU  76          HD13      LEU  76 -33.198 -22.975 -12.238
  576   HD21  LEU  76          HD21      LEU  76 -30.892 -24.443 -10.498
  577   HD22  LEU  76          HD22      LEU  76 -32.575 -24.788 -10.901
  578   HD23  LEU  76          HD23      LEU  76 -32.101 -24.568  -9.220
  579    H    ASN  77           HN       ASN  77 -31.140 -20.686  -6.228
  580    HA   ASN  77           HA       ASN  77 -29.572 -19.587  -4.888
  581    HB2  ASN  77           HB2      ASN  77 -27.770 -21.041  -6.049
  582    HB3  ASN  77           HB1      ASN  77 -27.560 -19.667  -7.134
  583   HD21  ASN  77          HD21      ASN  77 -28.446 -18.402  -4.159
  584   HD22  ASN  77          HD22      ASN  77 -26.888 -18.068  -3.577
  585    H    ASP  78           HN       ASP  78 -29.569 -17.371  -4.610
  586    HA   ASP  78           HA       ASP  78 -30.882 -15.589  -6.145
  587    HB2  ASP  78           HB2      ASP  78 -29.472 -13.845  -5.102
  588    HB3  ASP  78           HB1      ASP  78 -30.080 -15.048  -3.968
  589    H    ARG  79           HN       ARG  79 -27.519 -14.763  -6.183
  590    HA   ARG  79           HA       ARG  79 -26.371 -13.776  -7.956
  591    HB2  ARG  79           HB2      ARG  79 -25.831 -16.328  -7.606
  592    HB3  ARG  79           HB1      ARG  79 -26.589 -16.514  -9.178
  593    HG2  ARG  79           HG2      ARG  79 -24.387 -16.146  -9.826
  594    HG3  ARG  79           HG1      ARG  79 -24.986 -14.488  -9.835
  595    HD2  ARG  79           HD2      ARG  79 -24.149 -14.241  -7.483
  596    HD3  ARG  79           HD1      ARG  79 -23.449 -15.851  -7.603
  597    HE   ARG  79           HE       ARG  79 -22.479 -13.429  -8.903
  598   HH11  ARG  79          HH21      ARG  79 -22.451 -16.887  -8.706
  599   HH12  ARG  79          HH22      ARG  79 -20.909 -17.054  -9.476
  600   HH21  ARG  79          HH11      ARG  79 -20.460 -13.642  -9.913
  601   HH22  ARG  79          HH12      ARG  79 -19.782 -15.217 -10.160
  602    H    LEU  80           HN       LEU  80 -27.709 -12.329  -9.006
  603    HA   LEU  80           HA       LEU  80 -28.788 -13.312 -11.560
  604    HB2  LEU  80           HB2      LEU  80 -30.536 -12.961  -9.544
  605    HB3  LEU  80           HB1      LEU  80 -30.420 -11.283 -10.071
  606    HG   LEU  80           HG       LEU  80 -32.253 -12.340 -11.239
  607   HD11  LEU  80          HD11      LEU  80 -31.706 -11.647 -13.405
  608   HD12  LEU  80          HD12      LEU  80 -30.052 -12.242 -13.287
  609   HD13  LEU  80          HD13      LEU  80 -30.531 -10.783 -12.422
  610   HD21  LEU  80          HD21      LEU  80 -32.207 -14.454 -12.127
  611   HD22  LEU  80          HD22      LEU  80 -30.824 -14.689 -11.066
  612   HD23  LEU  80          HD23      LEU  80 -30.573 -14.274 -12.760
  613    H    SER  81           HN       SER  81 -28.137 -12.109 -13.165
  614    HA   SER  81           HA       SER  81 -27.005  -9.431 -12.583
  615    HB2  SER  81           HB2      SER  81 -25.378  -9.841 -14.127
  616    HB3  SER  81           HB1      SER  81 -25.666 -11.485 -13.589
  617    HG   SER  81           HG       SER  81 -26.327 -10.227 -15.981
  618    H    SER  82           HN       SER  82 -26.799  -8.567 -15.224
  619    HA   SER  82           HA       SER  82 -29.099  -7.160 -15.634
  620    HB2  SER  82           HB2      SER  82 -28.400  -7.104 -18.085
  621    HB3  SER  82           HB1      SER  82 -27.200  -6.562 -16.916
  622    HG   SER  82           HG       SER  82 -27.388  -9.212 -17.920
  623    H    CYS  83           HN       CYS  83 -30.392  -7.430 -17.867
  624    HA   CYS  83           HA       CYS  83 -31.267 -10.197 -18.233
  625    HB2  CYS  83           HB2      CYS  83 -33.557  -9.749 -17.668
  626    HB3  CYS  83           HB1      CYS  83 -32.575  -9.183 -16.312
  627    HG   CYS  83           HG       CYS  83 -34.332  -7.422 -18.010
  628    H    ARG  84           HN       ARG  84 -32.369 -10.517 -20.210
  629    HA   ARG  84           HA       ARG  84 -32.332  -8.200 -22.065
  630    HB2  ARG  84           HB2      ARG  84 -32.054 -11.152 -22.681
  631    HB3  ARG  84           HB1      ARG  84 -32.036  -9.842 -23.862
  632    HG2  ARG  84           HG2      ARG  84 -30.061  -8.867 -22.738
  633    HG3  ARG  84           HG1      ARG  84 -30.063 -10.203 -21.586
  634    HD2  ARG  84           HD2      ARG  84 -28.459 -10.745 -23.293
  635    HD3  ARG  84           HD1      ARG  84 -29.865 -11.776 -23.552
  636    HE   ARG  84           HE       ARG  84 -30.137  -9.390 -25.057
  637   HH11  ARG  84          HH21      ARG  84 -28.342 -12.343 -24.888
  638   HH12  ARG  84          HH22      ARG  84 -28.041 -12.419 -26.593
  639   HH21  ARG  84          HH11      ARG  84 -29.746  -9.482 -27.292
  640   HH22  ARG  84          HH12      ARG  84 -28.837 -10.799 -27.954
  641    H    ALA  85           HN       ALA  85 -34.246  -7.547 -22.797
  642    HA   ALA  85           HA       ALA  85 -36.685  -8.690 -21.962
  643    HB1  ALA  85           HB1      ALA  85 -37.747  -7.056 -23.336
  644    HB2  ALA  85           HB2      ALA  85 -36.336  -6.920 -24.384
  645    HB3  ALA  85           HB3      ALA  85 -36.273  -6.299 -22.736
  646    H    VAL  86           HN       VAL  86 -37.743 -10.428 -22.680
  647    HA   VAL  86           HA       VAL  86 -37.161 -11.393 -25.444
  648    HB   VAL  86           HB       VAL  86 -37.712 -12.948 -22.904
  649   HG11  VAL  86          HG11      VAL  86 -37.394 -14.942 -24.457
  650   HG12  VAL  86          HG12      VAL  86 -37.620 -13.820 -25.795
  651   HG13  VAL  86          HG13      VAL  86 -38.923 -14.081 -24.635
  652   HG21  VAL  86          HG21      VAL  86 -35.407 -12.380 -23.025
  653   HG22  VAL  86          HG22      VAL  86 -35.345 -12.647 -24.766
  654   HG23  VAL  86          HG23      VAL  86 -35.499 -14.017 -23.672
  655    H    HIS  87           HN       HIS  87 -38.835 -11.518 -26.774
  656    HA   HIS  87           HA       HIS  87 -41.549 -11.088 -25.714
  657    HB2  HIS  87           HB2      HIS  87 -40.548 -11.043 -28.569
  658    HB3  HIS  87           HB1      HIS  87 -42.146 -10.548 -28.010
  659    HD2  HIS  87           HD2      HIS  87 -38.662  -9.014 -28.477
  660    HE1  HIS  87           HE1      HIS  87 -40.802  -6.340 -26.010
  661    HE2  HIS  87           HE2      HIS  87 -38.692  -6.639 -27.391
  662    H    LEU  88           HN       LEU  88 -43.316 -12.343 -26.617
  663    HA   LEU  88           HA       LEU  88 -42.691 -15.160 -26.584
  664    HB2  LEU  88           HB2      LEU  88 -45.444 -14.150 -27.230
  665    HB3  LEU  88           HB1      LEU  88 -44.959 -15.499 -26.209
  666    HG   LEU  88           HG       LEU  88 -44.669 -12.560 -25.531
  667   HD11  LEU  88          HD11      LEU  88 -46.970 -13.446 -25.416
  668   HD12  LEU  88          HD12      LEU  88 -46.337 -13.068 -23.813
  669   HD13  LEU  88          HD13      LEU  88 -46.408 -14.743 -24.361
  670   HD21  LEU  88          HD21      LEU  88 -42.810 -13.812 -24.560
  671   HD22  LEU  88          HD22      LEU  88 -43.907 -15.072 -24.005
  672   HD23  LEU  88          HD23      LEU  88 -43.974 -13.463 -23.287
  673    HA   PRO  89           HA       PRO  89 -42.516 -15.785 -30.973
  674    HB2  PRO  89           HB2      PRO  89 -43.445 -18.358 -31.202
  675    HB3  PRO  89           HB1      PRO  89 -41.837 -17.960 -30.573
  676    HG2  PRO  89           HG2      PRO  89 -44.339 -18.641 -29.082
  677    HG3  PRO  89           HG1      PRO  89 -42.666 -19.154 -28.776
  678    HD2  PRO  89           HD2      PRO  89 -43.842 -17.153 -27.346
  679    HD3  PRO  89           HD1      PRO  89 -42.102 -17.172 -27.690
  680    H    SER  90           HN       SER  90 -43.778 -15.783 -32.841
  681    HA   SER  90           HA       SER  90 -46.641 -16.216 -32.679
  682    HB2  SER  90           HB2      SER  90 -47.282 -13.984 -33.311
  683    HB3  SER  90           HB1      SER  90 -46.298 -13.875 -31.854
  684    HG   SER  90           HG       SER  90 -45.760 -13.079 -34.460
  685    H    GLY  91           HN       GLY  91 -47.662 -15.715 -34.845
  686    HA2  GLY  91           HA2      GLY  91 -47.718 -15.881 -37.152
  687    HA3  GLY  91           HA1      GLY  91 -45.976 -15.614 -37.167
  688    H    GLY  92           HN       GLY  92 -44.657 -17.533 -36.337
  689    HA2  GLY  92           HA2      GLY  92 -45.379 -19.834 -37.886
  690    HA3  GLY  92           HA1      GLY  92 -43.947 -19.666 -36.875
  691    H    GLN  93           HN       GLN  93 -47.191 -19.143 -35.696
  692    HA   GLN  93           HA       GLN  93 -48.143 -20.041 -33.778
  693    HB2  GLN  93           HB2      GLN  93 -48.740 -22.543 -34.291
  694    HB3  GLN  93           HB1      GLN  93 -49.400 -21.266 -35.313
  695    HG2  GLN  93           HG2      GLN  93 -47.665 -21.633 -36.978
  696    HG3  GLN  93           HG1      GLN  93 -46.872 -22.812 -35.941
  697   HE21  GLN  93          HE21      GLN  93 -48.535 -24.664 -35.196
  698   HE22  GLN  93          HE22      GLN  93 -49.484 -25.286 -36.467
  699    H    TYR  94           HN       TYR  94 -46.992 -23.219 -34.207
  700    HA   TYR  94           HA       TYR  94 -44.685 -22.969 -32.479
  701    HB2  TYR  94           HB2      TYR  94 -46.699 -22.867 -30.957
  702    HB3  TYR  94           HB1      TYR  94 -47.058 -24.512 -31.457
  703    HD1  TYR  94           HD1      TYR  94 -44.368 -22.378 -30.027
  704    HD2  TYR  94           HD2      TYR  94 -45.963 -26.344 -30.429
  705    HE1  TYR  94           HE1      TYR  94 -42.700 -23.212 -28.400
  706    HE2  TYR  94           HE2      TYR  94 -44.303 -27.178 -28.790
  707    HH   TYR  94           HH       TYR  94 -42.766 -26.569 -27.263
  708    H    LYS  95           HN       LYS  95 -43.303 -24.277 -33.531
  709    HA   LYS  95           HA       LYS  95 -44.075 -27.056 -34.003
  710    HB2  LYS  95           HB2      LYS  95 -44.789 -25.806 -36.045
  711    HB3  LYS  95           HB1      LYS  95 -43.115 -25.325 -36.282
  712    HG2  LYS  95           HG2      LYS  95 -43.569 -27.273 -37.659
  713    HG3  LYS  95           HG1      LYS  95 -42.474 -27.741 -36.360
  714    HD2  LYS  95           HD2      LYS  95 -44.069 -29.001 -35.253
  715    HD3  LYS  95           HD1      LYS  95 -45.416 -28.037 -35.865
  716    HE2  LYS  95           HE2      LYS  95 -45.193 -30.383 -36.820
  717    HE3  LYS  95           HE1      LYS  95 -45.330 -29.081 -37.995
  718    HZ1  LYS  95           HZ1      LYS  95 -43.176 -29.289 -38.631
  719    HZ2  LYS  95           HZ2      LYS  95 -43.456 -30.900 -38.168
  720    HZ3  LYS  95           HZ3      LYS  95 -42.646 -29.840 -37.115
  721    H    ILE  96           HN       ILE  96 -42.427 -28.409 -33.724
  722    HA   ILE  96           HA       ILE  96 -39.656 -27.389 -33.911
  723    HB   ILE  96           HB       ILE  96 -39.963 -27.312 -31.597
  724   HG12  ILE  96          HG12      ILE  96 -39.071 -30.180 -31.894
  725   HG13  ILE  96          HG11      ILE  96 -38.053 -28.840 -32.415
  726   HG21  ILE  96          HG21      ILE  96 -41.161 -29.022 -30.303
  727   HG22  ILE  96          HG22      ILE  96 -41.421 -29.964 -31.771
  728   HG23  ILE  96          HG23      ILE  96 -42.206 -28.398 -31.578
  729   HD11  ILE  96          HD11      ILE  96 -39.127 -29.316 -29.622
  730   HD12  ILE  96          HD12      ILE  96 -38.234 -27.875 -30.113
  731   HD13  ILE  96          HD13      ILE  96 -37.448 -29.451 -30.141
  732    H    GLN  97           HN       GLN  97 -38.144 -28.829 -34.515
  733    HA   GLN  97           HA       GLN  97 -39.017 -31.567 -35.225
  734    HB2  GLN  97           HB2      GLN  97 -37.672 -29.460 -36.866
  735    HB3  GLN  97           HB1      GLN  97 -37.065 -31.102 -37.051
  736    HG2  GLN  97           HG2      GLN  97 -39.351 -31.894 -37.524
  737    HG3  GLN  97           HG1      GLN  97 -39.956 -30.250 -37.351
  738   HE21  GLN  97          HE21      GLN  97 -36.806 -30.637 -38.800
  739   HE22  GLN  97          HE22      GLN  97 -37.290 -30.330 -40.404
  740    H    ILE  98           HN       ILE  98 -37.777 -33.111 -34.384
  741    HA   ILE  98           HA       ILE  98 -35.181 -32.330 -33.150
  742    HB   ILE  98           HB       ILE  98 -36.929 -34.645 -32.288
  743   HG12  ILE  98          HG12      ILE  98 -37.011 -31.786 -31.266
  744   HG13  ILE  98          HG11      ILE  98 -38.300 -32.595 -32.163
  745   HG21  ILE  98          HG21      ILE  98 -34.519 -34.463 -31.581
  746   HG22  ILE  98          HG22      ILE  98 -35.664 -34.453 -30.238
  747   HG23  ILE  98          HG23      ILE  98 -34.927 -32.945 -30.780
  748   HD11  ILE  98          HD11      ILE  98 -37.488 -32.923 -29.326
  749   HD12  ILE  98          HD12      ILE  98 -37.953 -34.404 -30.169
  750   HD13  ILE  98          HD13      ILE  98 -39.081 -33.052 -30.063
  751    H    PHE  99           HN       PHE  99 -33.428 -33.464 -33.778
  752    HA   PHE  99           HA       PHE  99 -33.860 -35.883 -35.466
  753    HB2  PHE  99           HB2      PHE  99 -31.856 -33.641 -35.634
  754    HB3  PHE  99           HB1      PHE  99 -31.481 -35.222 -36.321
  755    HD1  PHE  99           HD1      PHE  99 -34.025 -32.480 -36.366
  756    HD2  PHE  99           HD2      PHE  99 -32.367 -35.872 -38.413
  757    HE1  PHE  99           HE1      PHE  99 -35.372 -31.937 -38.375
  758    HE2  PHE  99           HE2      PHE  99 -33.721 -35.330 -40.416
  759    HZ   PHE  99           HZ       PHE  99 -35.224 -33.359 -40.396
  760    H    GLU 100           HN       GLU 100 -32.937 -37.712 -34.896
  761    HA   GLU 100           HA       GLU 100 -31.859 -38.074 -32.320
  762    HB2  GLU 100           HB2      GLU 100 -33.013 -39.866 -33.542
  763    HB3  GLU 100           HB1      GLU 100 -31.693 -39.913 -34.718
  764    HG2  GLU 100           HG2      GLU 100 -30.113 -40.559 -32.970
  765    HG3  GLU 100           HG1      GLU 100 -31.366 -40.392 -31.740
  766    H    LYS 101           HN       LYS 101 -30.380 -37.452 -35.420
  767    HA   LYS 101           HA       LYS 101 -27.686 -37.614 -34.172
  768    HB2  LYS 101           HB2      LYS 101 -28.421 -37.939 -37.083
  769    HB3  LYS 101           HB1      LYS 101 -26.828 -38.162 -36.365
  770    HG2  LYS 101           HG2      LYS 101 -27.623 -40.038 -35.065
  771    HG3  LYS 101           HG1      LYS 101 -29.275 -39.775 -35.611
  772    HD2  LYS 101           HD2      LYS 101 -28.563 -40.201 -37.943
  773    HD3  LYS 101           HD1      LYS 101 -26.919 -40.509 -37.375
  774    HE2  LYS 101           HE2      LYS 101 -27.739 -42.377 -35.993
  775    HE3  LYS 101           HE1      LYS 101 -29.385 -42.062 -36.542
  776    HZ1  LYS 101           HZ1      LYS 101 -28.939 -42.827 -38.632
  777    HZ2  LYS 101           HZ2      LYS 101 -27.920 -43.837 -37.722
  778    HZ3  LYS 101           HZ3      LYS 101 -27.280 -42.491 -38.539
  779    H    GLY 102           HN       GLY 102 -26.230 -35.953 -34.632
  780    HA2  GLY 102           HA2      GLY 102 -27.341 -33.383 -34.961
  781    HA3  GLY 102           HA1      GLY 102 -25.626 -33.755 -34.983
  782    H    ASP 103           HN       ASP 103 -26.299 -31.830 -36.630
  783    HA   ASP 103           HA       ASP 103 -26.250 -31.126 -38.806
  784    HB2  ASP 103           HB2      ASP 103 -24.273 -32.748 -38.748
  785    HB3  ASP 103           HB1      ASP 103 -25.344 -33.911 -39.522
  786    H    PHE 104           HN       PHE 104 -28.665 -32.373 -37.732
  787    HA   PHE 104           HA       PHE 104 -30.734 -33.062 -38.416
  788    HB2  PHE 104           HB2      PHE 104 -30.002 -32.322 -41.237
  789    HB3  PHE 104           HB1      PHE 104 -31.536 -32.129 -40.392
  790    HD1  PHE 104           HD2      PHE 104 -31.214 -30.727 -38.063
  791    HD2  PHE 104           HD1      PHE 104 -28.830 -30.342 -41.616
  792    HE1  PHE 104           HE2      PHE 104 -30.550 -28.445 -37.377
  793    HE2  PHE 104           HE1      PHE 104 -28.160 -28.066 -40.920
  794    HZ   PHE 104           HZ       PHE 104 -29.011 -27.123 -38.798
  795    H    SER 105           HN       SER 105 -30.161 -35.310 -38.010
  796    HA   SER 105           HA       SER 105 -30.549 -36.924 -40.362
  797    HB2  SER 105           HB2      SER 105 -27.875 -36.795 -39.010
  798    HB3  SER 105           HB1      SER 105 -28.421 -38.329 -39.678
  799    HG   SER 105           HG       SER 105 -28.463 -37.451 -41.668
  800    H    GLY 106           HN       GLY 106 -30.809 -39.203 -39.817
  801    HA2  GLY 106           HA2      GLY 106 -31.302 -40.987 -38.376
  802    HA3  GLY 106           HA1      GLY 106 -31.147 -39.895 -37.008
  803    H    GLN 107           HN       GLN 107 -33.074 -40.608 -36.091
  804    HA   GLN 107           HA       GLN 107 -35.562 -40.506 -37.526
  805    HB2  GLN 107           HB2      GLN 107 -35.329 -42.107 -35.730
  806    HB3  GLN 107           HB1      GLN 107 -34.920 -40.833 -34.584
  807    HG2  GLN 107           HG2      GLN 107 -37.279 -41.564 -34.365
  808    HG3  GLN 107           HG1      GLN 107 -37.165 -39.868 -34.828
  809   HE21  GLN 107          HE21      GLN 107 -39.147 -39.761 -35.976
  810   HE22  GLN 107          HE22      GLN 107 -39.437 -40.626 -37.410
  811    H    MET 108           HN       MET 108 -37.041 -38.899 -37.611
  812    HA   MET 108           HA       MET 108 -36.492 -36.454 -36.084
  813    HB2  MET 108           HB2      MET 108 -35.946 -36.022 -38.381
  814    HB3  MET 108           HB1      MET 108 -37.488 -36.698 -38.908
  815    HG2  MET 108           HG2      MET 108 -37.504 -34.443 -36.919
  816    HG3  MET 108           HG1      MET 108 -37.213 -34.077 -38.617
  817    HE1  MET 108           HE1      MET 108 -40.408 -34.403 -40.380
  818    HE2  MET 108           HE2      MET 108 -38.781 -35.054 -40.562
  819    HE3  MET 108           HE3      MET 108 -39.000 -33.386 -40.040
  820    H    TYR 109           HN       TYR 109 -38.106 -35.601 -34.910
  821    HA   TYR 109           HA       TYR 109 -40.825 -36.684 -35.335
  822    HB2  TYR 109           HB2      TYR 109 -39.342 -36.110 -32.775
  823    HB3  TYR 109           HB1      TYR 109 -41.090 -36.301 -32.858
  824    HD1  TYR 109           HD2      TYR 109 -41.941 -38.445 -34.151
  825    HD2  TYR 109           HD1      TYR 109 -38.028 -38.023 -32.441
  826    HE1  TYR 109           HE2      TYR 109 -41.701 -40.912 -34.093
  827    HE2  TYR 109           HE1      TYR 109 -37.792 -40.490 -32.365
  828    HH   TYR 109           HH       TYR 109 -40.445 -42.620 -33.426
  829    H    GLU 110           HN       GLU 110 -42.430 -35.275 -35.397
  830    HA   GLU 110           HA       GLU 110 -41.853 -32.417 -34.857
  831    HB2  GLU 110           HB2      GLU 110 -43.555 -32.000 -36.710
  832    HB3  GLU 110           HB1      GLU 110 -41.972 -32.575 -37.216
  833    HG2  GLU 110           HG2      GLU 110 -42.862 -34.882 -37.327
  834    HG3  GLU 110           HG1      GLU 110 -44.451 -34.283 -36.856
  835    H    THR 111           HN       THR 111 -43.136 -31.543 -33.365
  836    HA   THR 111           HA       THR 111 -45.915 -32.438 -33.097
  837    HB   THR 111           HB       THR 111 -44.382 -33.829 -31.588
  838    HG1  THR 111           HG1      THR 111 -45.929 -32.988 -29.720
  839   HG21  THR 111          HG21      THR 111 -43.030 -31.752 -30.917
  840   HG22  THR 111          HG22      THR 111 -43.513 -32.820 -29.599
  841   HG23  THR 111          HG23      THR 111 -44.398 -31.327 -29.890
  842    H    THR 112           HN       THR 112 -47.206 -30.764 -32.803
  843    HA   THR 112           HA       THR 112 -46.043 -28.131 -32.265
  844    HB   THR 112           HB       THR 112 -47.893 -27.246 -33.308
  845    HG1  THR 112           HG1      THR 112 -49.300 -29.448 -32.220
  846   HG21  THR 112          HG21      THR 112 -48.290 -28.464 -35.246
  847   HG22  THR 112          HG22      THR 112 -48.485 -29.982 -34.374
  848   HG23  THR 112          HG23      THR 112 -46.875 -29.327 -34.644
  849    H    GLU 113           HN       GLU 113 -45.977 -29.861 -30.068
  850    HA   GLU 113           HA       GLU 113 -47.625 -28.340 -28.169
  851    HB2  GLU 113           HB2      GLU 113 -48.179 -30.552 -26.995
  852    HB3  GLU 113           HB1      GLU 113 -49.072 -30.182 -28.477
  853    HG2  GLU 113           HG2      GLU 113 -47.592 -31.602 -29.775
  854    HG3  GLU 113           HG1      GLU 113 -46.582 -31.906 -28.364
  855    H    ASP 114           HN       ASP 114 -47.057 -29.354 -25.835
  856    HA   ASP 114           HA       ASP 114 -44.170 -29.012 -25.578
  857    HB2  ASP 114           HB2      ASP 114 -44.721 -29.149 -23.105
  858    HB3  ASP 114           HB1      ASP 114 -45.450 -27.808 -23.976
  859    H    CYS 115           HN       CYS 115 -42.940 -30.449 -24.188
  860    HA   CYS 115           HA       CYS 115 -43.929 -33.221 -24.129
  861    HB2  CYS 115           HB2      CYS 115 -41.288 -32.292 -25.242
  862    HB3  CYS 115           HB1      CYS 115 -41.714 -33.974 -24.921
  863    HG   CYS 115           HG       CYS 115 -43.734 -32.533 -26.725
  864    HA   PRO 116           HA       PRO 116 -41.945 -32.555 -20.085
  865    HB2  PRO 116           HB2      PRO 116 -42.796 -34.838 -18.850
  866    HB3  PRO 116           HB1      PRO 116 -43.869 -33.451 -19.132
  867    HG2  PRO 116           HG2      PRO 116 -43.651 -36.009 -20.645
  868    HG3  PRO 116           HG1      PRO 116 -45.092 -35.073 -20.226
  869    HD2  PRO 116           HD2      PRO 116 -43.859 -35.027 -22.706
  870    HD3  PRO 116           HD1      PRO 116 -44.894 -33.717 -22.087
  871    H    SER 117           HN       SER 117 -41.900 -35.848 -21.457
  872    HA   SER 117           HA       SER 117 -38.989 -36.045 -20.866
  873    HB2  SER 117           HB2      SER 117 -41.168 -38.135 -20.719
  874    HB3  SER 117           HB1      SER 117 -39.463 -38.566 -20.830
  875    HG   SER 117           HG       SER 117 -40.804 -37.091 -18.820
  876    H    ILE 118           HN       ILE 118 -37.969 -35.741 -22.768
  877    HA   ILE 118           HA       ILE 118 -39.153 -36.178 -25.292
  878    HB   ILE 118           HB       ILE 118 -37.006 -34.790 -24.454
  879   HG12  ILE 118          HG12      ILE 118 -37.145 -35.901 -27.269
  880   HG13  ILE 118          HG11      ILE 118 -38.208 -34.623 -26.673
  881   HG21  ILE 118          HG21      ILE 118 -34.924 -35.728 -25.114
  882   HG22  ILE 118          HG22      ILE 118 -35.710 -37.130 -25.836
  883   HG23  ILE 118          HG23      ILE 118 -35.714 -36.919 -24.084
  884   HD11  ILE 118          HD11      ILE 118 -35.989 -34.019 -27.950
  885   HD12  ILE 118          HD12      ILE 118 -35.247 -34.264 -26.374
  886   HD13  ILE 118          HD13      ILE 118 -36.524 -33.059 -26.580
  887    H    MET 119           HN       MET 119 -37.070 -38.162 -23.278
  888    HA   MET 119           HA       MET 119 -36.608 -40.184 -25.227
  889    HB2  MET 119           HB2      MET 119 -35.163 -39.869 -23.266
  890    HB3  MET 119           HB1      MET 119 -36.498 -40.337 -22.213
  891    HG2  MET 119           HG2      MET 119 -36.551 -42.554 -23.122
  892    HG3  MET 119           HG1      MET 119 -35.462 -42.108 -24.432
  893    HE1  MET 119           HE1      MET 119 -33.504 -44.638 -22.321
  894    HE2  MET 119           HE2      MET 119 -33.386 -43.940 -23.933
  895    HE3  MET 119           HE3      MET 119 -34.953 -44.464 -23.322
  896    H    GLU 120           HN       GLU 120 -39.332 -39.441 -23.227
  897    HA   GLU 120           HA       GLU 120 -40.377 -42.135 -23.206
  898    HB2  GLU 120           HB2      GLU 120 -40.898 -40.576 -21.397
  899    HB3  GLU 120           HB1      GLU 120 -41.674 -39.487 -22.549
  900    HG2  GLU 120           HG2      GLU 120 -43.358 -41.177 -23.074
  901    HG3  GLU 120           HG1      GLU 120 -42.543 -42.338 -22.041
  902    H    GLN 121           HN       GLN 121 -41.101 -39.138 -24.953
  903    HA   GLN 121           HA       GLN 121 -43.151 -40.469 -26.545
  904    HB2  GLN 121           HB2      GLN 121 -43.300 -38.133 -27.566
  905    HB3  GLN 121           HB1      GLN 121 -43.746 -38.305 -25.864
  906    HG2  GLN 121           HG2      GLN 121 -41.881 -37.192 -25.104
  907    HG3  GLN 121           HG1      GLN 121 -40.870 -37.707 -26.446
  908   HE21  GLN 121          HE21      GLN 121 -43.903 -36.429 -27.477
  909   HE22  GLN 121          HE22      GLN 121 -43.340 -34.880 -27.898
  910    H    PHE 122           HN       PHE 122 -39.868 -39.218 -26.946
  911    HA   PHE 122           HA       PHE 122 -39.940 -40.109 -29.770
  912    HB2  PHE 122           HB2      PHE 122 -38.227 -37.963 -28.519
  913    HB3  PHE 122           HB1      PHE 122 -38.209 -38.446 -30.207
  914    HD1  PHE 122           HD2      PHE 122 -41.143 -38.770 -30.819
  915    HD2  PHE 122           HD1      PHE 122 -39.083 -35.769 -28.515
  916    HE1  PHE 122           HE2      PHE 122 -42.976 -37.195 -31.218
  917    HE2  PHE 122           HE1      PHE 122 -40.932 -34.190 -28.960
  918    HZ   PHE 122           HZ       PHE 122 -42.873 -34.917 -30.297
  919    H    HIS 123           HN       HIS 123 -39.021 -41.298 -26.983
  920    HA   HIS 123           HA       HIS 123 -37.351 -42.753 -26.317
  921    HB2  HIS 123           HB2      HIS 123 -37.426 -43.313 -29.272
  922    HB3  HIS 123           HB1      HIS 123 -36.655 -44.348 -28.064
  923    HD2  HIS 123           HD2      HIS 123 -39.189 -45.769 -29.450
  924    HE1  HIS 123           HE1      HIS 123 -41.427 -44.556 -26.082
  925    HE2  HIS 123           HE2      HIS 123 -41.382 -46.128 -28.079
  926    H    MET 124           HN       MET 124 -36.604 -39.989 -27.624
  927    HA   MET 124           HA       MET 124 -33.875 -40.458 -28.448
  928    HB2  MET 124           HB2      MET 124 -35.571 -38.008 -28.008
  929    HB3  MET 124           HB1      MET 124 -33.836 -37.874 -28.253
  930    HG2  MET 124           HG2      MET 124 -34.586 -39.574 -30.335
  931    HG3  MET 124           HG1      MET 124 -35.949 -38.482 -30.215
  932    HE1  MET 124           HE1      MET 124 -36.006 -36.963 -31.990
  933    HE2  MET 124           HE2      MET 124 -34.976 -38.119 -32.830
  934    HE3  MET 124           HE3      MET 124 -34.617 -36.399 -32.924
  935    H    ARG 125           HN       ARG 125 -32.073 -40.210 -27.293
  936    HA   ARG 125           HA       ARG 125 -32.366 -39.752 -24.387
  937    HB2  ARG 125           HB2      ARG 125 -30.112 -40.966 -24.374
  938    HB3  ARG 125           HB1      ARG 125 -31.536 -41.934 -24.747
  939    HG2  ARG 125           HG2      ARG 125 -31.075 -41.720 -27.153
  940    HG3  ARG 125           HG1      ARG 125 -29.668 -40.711 -26.801
  941    HD2  ARG 125           HD2      ARG 125 -30.050 -43.575 -25.889
  942    HD3  ARG 125           HD1      ARG 125 -29.010 -43.056 -27.211
  943    HE   ARG 125           HE       ARG 125 -28.513 -42.690 -24.355
  944   HH11  ARG 125          HH21      ARG 125 -27.685 -41.925 -27.631
  945   HH12  ARG 125          HH22      ARG 125 -26.083 -41.394 -27.245
  946   HH21  ARG 125          HH11      ARG 125 -26.416 -41.996 -23.847
  947   HH22  ARG 125          HH12      ARG 125 -25.364 -41.434 -25.104
  948    H    GLU 126           HN       GLU 126 -30.776 -38.741 -27.338
  949    HA   GLU 126           HA       GLU 126 -29.678 -36.461 -25.915
  950    HB2  GLU 126           HB2      GLU 126 -27.860 -38.227 -27.556
  951    HB3  GLU 126           HB1      GLU 126 -27.413 -36.753 -26.722
  952    HG2  GLU 126           HG2      GLU 126 -28.051 -37.826 -24.558
  953    HG3  GLU 126           HG1      GLU 126 -28.324 -39.327 -25.439
  954    H    ILE 127           HN       ILE 127 -30.604 -34.912 -26.985
  955    HA   ILE 127           HA       ILE 127 -31.085 -35.007 -29.823
  956    HB   ILE 127           HB       ILE 127 -31.226 -32.523 -28.102
  957   HG12  ILE 127          HG12      ILE 127 -32.516 -34.115 -26.857
  958   HG13  ILE 127          HG11      ILE 127 -33.680 -33.209 -27.823
  959   HG21  ILE 127          HG21      ILE 127 -33.077 -32.007 -29.706
  960   HG22  ILE 127          HG22      ILE 127 -32.663 -33.475 -30.591
  961   HG23  ILE 127          HG23      ILE 127 -31.507 -32.160 -30.482
  962   HD11  ILE 127          HD11      ILE 127 -34.261 -35.525 -28.071
  963   HD12  ILE 127          HD12      ILE 127 -32.590 -35.975 -28.373
  964   HD13  ILE 127          HD13      ILE 127 -33.477 -35.036 -29.570
  965    H    HIS 128           HN       HIS 128 -29.707 -34.567 -31.357
  966    HA   HIS 128           HA       HIS 128 -27.208 -33.145 -30.708
  967    HB2  HIS 128           HB2      HIS 128 -27.938 -34.912 -33.026
  968    HB3  HIS 128           HB1      HIS 128 -26.346 -34.221 -32.741
  969    HD2  HIS 128           HD2      HIS 128 -24.880 -35.493 -30.651
  970    HE1  HIS 128           HE1      HIS 128 -27.768 -38.471 -29.859
  971    HE2  HIS 128           HE2      HIS 128 -25.381 -37.724 -29.386
  972    H    SER 129           HN       SER 129 -30.021 -33.052 -32.809
  973    HA   SER 129           HA       SER 129 -29.432 -30.280 -33.428
  974    HB2  SER 129           HB2      SER 129 -29.630 -30.696 -35.905
  975    HB3  SER 129           HB1      SER 129 -28.135 -31.253 -35.172
  976    HG   SER 129           HG       SER 129 -29.593 -33.291 -34.910
  977    H    CYS 130           HN       CYS 130 -31.219 -29.154 -34.259
  978    HA   CYS 130           HA       CYS 130 -33.746 -30.574 -34.639
  979    HB2  CYS 130           HB2      CYS 130 -34.129 -30.282 -32.372
  980    HB3  CYS 130           HB1      CYS 130 -33.075 -28.872 -32.271
  981    HG   CYS 130           HG       CYS 130 -34.985 -27.365 -32.970
  982    H    LYS 131           HN       LYS 131 -34.931 -29.620 -36.177
  983    HA   LYS 131           HA       LYS 131 -34.099 -26.938 -37.127
  984    HB2  LYS 131           HB2      LYS 131 -35.603 -29.121 -38.586
  985    HB3  LYS 131           HB1      LYS 131 -35.100 -27.573 -39.268
  986    HG2  LYS 131           HG2      LYS 131 -32.705 -28.264 -38.540
  987    HG3  LYS 131           HG1      LYS 131 -33.375 -29.886 -38.380
  988    HD2  LYS 131           HD2      LYS 131 -33.572 -28.220 -40.906
  989    HD3  LYS 131           HD1      LYS 131 -32.339 -29.448 -40.625
  990    HE2  LYS 131           HE2      LYS 131 -34.193 -31.110 -40.256
  991    HE3  LYS 131           HE1      LYS 131 -35.334 -29.873 -40.775
  992    HZ1  LYS 131           HZ1      LYS 131 -33.021 -30.431 -42.479
  993    HZ2  LYS 131           HZ2      LYS 131 -34.592 -29.947 -42.907
  994    HZ3  LYS 131           HZ3      LYS 131 -34.287 -31.559 -42.465
  995    H    VAL 132           HN       VAL 132 -36.129 -26.027 -38.481
  996    HA   VAL 132           HA       VAL 132 -38.113 -24.891 -38.276
  997    HB   VAL 132           HB       VAL 132 -38.996 -27.361 -36.770
  998   HG11  VAL 132          HG11      VAL 132 -40.421 -25.095 -38.174
  999   HG12  VAL 132          HG12      VAL 132 -40.676 -25.709 -36.541
 1000   HG13  VAL 132          HG13      VAL 132 -41.198 -26.657 -37.932
 1001   HG21  VAL 132          HG21      VAL 132 -38.971 -26.758 -39.744
 1002   HG22  VAL 132          HG22      VAL 132 -39.744 -28.157 -39.003
 1003   HG23  VAL 132          HG23      VAL 132 -37.991 -27.975 -38.924
 1004    H    LEU 133           HN       LEU 133 -37.613 -23.180 -36.984
 1005    HA   LEU 133           HA       LEU 133 -37.993 -23.504 -34.059
 1006    HB2  LEU 133           HB2      LEU 133 -36.109 -21.851 -35.694
 1007    HB3  LEU 133           HB1      LEU 133 -36.716 -21.132 -34.203
 1008    HG   LEU 133           HG       LEU 133 -34.579 -22.395 -33.893
 1009   HD11  LEU 133          HD11      LEU 133 -35.234 -22.825 -31.763
 1010   HD12  LEU 133          HD12      LEU 133 -36.350 -24.090 -32.269
 1011   HD13  LEU 133          HD13      LEU 133 -36.869 -22.408 -32.257
 1012   HD21  LEU 133          HD21      LEU 133 -36.150 -24.944 -34.247
 1013   HD22  LEU 133          HD22      LEU 133 -34.404 -24.704 -34.282
 1014   HD23  LEU 133          HD23      LEU 133 -35.392 -24.185 -35.647
 1015    H    GLU 134           HN       GLU 134 -38.815 -21.499 -32.985
 1016    HA   GLU 134           HA       GLU 134 -40.641 -19.921 -34.656
 1017    HB2  GLU 134           HB2      GLU 134 -41.430 -22.052 -32.781
 1018    HB3  GLU 134           HB1      GLU 134 -42.203 -20.513 -32.410
 1019    HG2  GLU 134           HG2      GLU 134 -43.598 -21.705 -33.936
 1020    HG3  GLU 134           HG1      GLU 134 -42.894 -20.367 -34.825
 1021    H    GLY 135           HN       GLY 135 -40.033 -17.910 -34.244
 1022    HA2  GLY 135           HA2      GLY 135 -39.104 -16.101 -33.111
 1023    HA3  GLY 135           HA1      GLY 135 -40.463 -16.426 -32.043
 1024    H    VAL 136           HN       VAL 136 -40.136 -17.608 -30.141
 1025    HA   VAL 136           HA       VAL 136 -37.314 -17.881 -29.272
 1026    HB   VAL 136           HB       VAL 136 -39.661 -17.261 -27.497
 1027   HG11  VAL 136          HG11      VAL 136 -37.501 -18.230 -26.559
 1028   HG12  VAL 136          HG12      VAL 136 -37.976 -16.674 -25.890
 1029   HG13  VAL 136          HG13      VAL 136 -36.702 -16.760 -27.106
 1030   HG21  VAL 136          HG21      VAL 136 -39.600 -15.386 -28.933
 1031   HG22  VAL 136          HG22      VAL 136 -37.842 -15.423 -29.049
 1032   HG23  VAL 136          HG23      VAL 136 -38.615 -14.903 -27.557
 1033    H    TRP 137           HN       TRP 137 -36.829 -19.615 -27.904
 1034    HA   TRP 137           HA       TRP 137 -38.907 -21.675 -27.542
 1035    HB2  TRP 137           HB2      TRP 137 -37.497 -22.007 -29.674
 1036    HB3  TRP 137           HB1      TRP 137 -36.157 -22.366 -28.579
 1037    HD1  TRP 137           HD1      TRP 137 -36.252 -24.560 -27.196
 1038    HE1  TRP 137           HE1      TRP 137 -37.731 -26.685 -27.347
 1039    HE3  TRP 137           HE3      TRP 137 -39.911 -22.834 -30.277
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.171 -27.501 -28.612
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.797 -24.294 -30.944
 1042    HH2  TRP 137           HH2      TRP 137 -41.923 -26.622 -30.115
 1043    H    ILE 138           HN       ILE 138 -37.993 -23.511 -26.157
 1044    HA   ILE 138           HA       ILE 138 -35.915 -22.649 -24.268
 1045    HB   ILE 138           HB       ILE 138 -38.765 -23.254 -23.453
 1046   HG12  ILE 138          HG12      ILE 138 -36.946 -20.907 -22.813
 1047   HG13  ILE 138          HG11      ILE 138 -38.186 -20.886 -24.060
 1048   HG21  ILE 138          HG21      ILE 138 -37.401 -24.495 -21.920
 1049   HG22  ILE 138          HG22      ILE 138 -37.815 -23.003 -21.089
 1050   HG23  ILE 138          HG23      ILE 138 -36.219 -23.194 -21.809
 1051   HD11  ILE 138          HD11      ILE 138 -39.756 -21.672 -22.061
 1052   HD12  ILE 138          HD12      ILE 138 -39.368 -19.967 -22.287
 1053   HD13  ILE 138          HD13      ILE 138 -38.498 -20.916 -21.084
 1054    H    PHE 139           HN       PHE 139 -34.588 -24.300 -23.919
 1055    HA   PHE 139           HA       PHE 139 -35.627 -27.079 -24.117
 1056    HB2  PHE 139           HB2      PHE 139 -33.202 -25.757 -25.179
 1057    HB3  PHE 139           HB1      PHE 139 -32.832 -27.233 -24.294
 1058    HD1  PHE 139           HD1      PHE 139 -35.945 -26.546 -26.249
 1059    HD2  PHE 139           HD2      PHE 139 -32.224 -28.671 -26.083
 1060    HE1  PHE 139           HE1      PHE 139 -36.647 -27.913 -28.178
 1061    HE2  PHE 139           HE2      PHE 139 -32.936 -30.054 -28.007
 1062    HZ   PHE 139           HZ       PHE 139 -35.148 -29.671 -29.058
 1063    H    TYR 140           HN       TYR 140 -35.472 -28.354 -22.427
 1064    HA   TYR 140           HA       TYR 140 -34.148 -27.242 -20.005
 1065    HB2  TYR 140           HB2      TYR 140 -36.585 -28.955 -20.433
 1066    HB3  TYR 140           HB1      TYR 140 -35.759 -28.959 -18.881
 1067    HD1  TYR 140           HD2      TYR 140 -35.295 -26.651 -17.813
 1068    HD2  TYR 140           HD1      TYR 140 -38.153 -27.276 -20.918
 1069    HE1  TYR 140           HE2      TYR 140 -36.433 -24.546 -17.176
 1070    HE2  TYR 140           HE1      TYR 140 -39.297 -25.174 -20.308
 1071    HH   TYR 140           HH       TYR 140 -38.942 -23.162 -19.159
 1072    H    GLU 141           HN       GLU 141 -32.211 -28.155 -19.736
 1073    HA   GLU 141           HA       GLU 141 -31.263 -30.479 -20.844
 1074    HB2  GLU 141           HB2      GLU 141 -29.860 -28.815 -19.674
 1075    HB3  GLU 141           HB1      GLU 141 -30.508 -29.378 -18.132
 1076    HG2  GLU 141           HG2      GLU 141 -29.615 -31.624 -18.545
 1077    HG3  GLU 141           HG1      GLU 141 -29.038 -31.116 -20.128
 1078    H    LEU 142           HN       LEU 142 -33.484 -30.147 -18.213
 1079    HA   LEU 142           HA       LEU 142 -33.301 -33.064 -17.732
 1080    HB2  LEU 142           HB2      LEU 142 -33.310 -30.813 -15.871
 1081    HB3  LEU 142           HB1      LEU 142 -34.620 -31.931 -15.505
 1082    HG   LEU 142           HG       LEU 142 -32.888 -33.791 -15.596
 1083   HD11  LEU 142          HD11      LEU 142 -31.160 -32.670 -16.864
 1084   HD12  LEU 142          HD12      LEU 142 -30.523 -32.968 -15.248
 1085   HD13  LEU 142          HD13      LEU 142 -31.081 -31.354 -15.692
 1086   HD21  LEU 142          HD21      LEU 142 -33.694 -32.944 -13.469
 1087   HD22  LEU 142          HD22      LEU 142 -32.612 -31.555 -13.567
 1088   HD23  LEU 142          HD23      LEU 142 -31.950 -33.176 -13.353
 1089    HA   PRO 143           HA       PRO 143 -37.476 -33.231 -18.988
 1090    HB2  PRO 143           HB2      PRO 143 -38.462 -35.365 -17.658
 1091    HB3  PRO 143           HB1      PRO 143 -37.160 -35.521 -18.856
 1092    HG2  PRO 143           HG2      PRO 143 -37.016 -35.613 -15.890
 1093    HG3  PRO 143           HG1      PRO 143 -36.041 -36.467 -17.095
 1094    HD2  PRO 143           HD2      PRO 143 -35.289 -34.120 -15.701
 1095    HD3  PRO 143           HD1      PRO 143 -34.463 -34.819 -17.101
 1096    H    ASN 144           HN       ASN 144 -39.754 -33.213 -18.349
 1097    HA   ASN 144           HA       ASN 144 -41.558 -32.569 -17.103
 1098    HB2  ASN 144           HB2      ASN 144 -39.819 -31.958 -14.719
 1099    HB3  ASN 144           HB1      ASN 144 -41.498 -32.490 -14.769
 1100   HD21  ASN 144          HD21      ASN 144 -40.725 -34.549 -16.892
 1101   HD22  ASN 144          HD22      ASN 144 -39.966 -35.780 -16.012
 1102    H    TYR 145           HN       TYR 145 -39.310 -30.797 -18.394
 1103    HA   TYR 145           HA       TYR 145 -39.316 -28.585 -18.992
 1104    HB2  TYR 145           HB2      TYR 145 -41.383 -27.906 -16.917
 1105    HB3  TYR 145           HB1      TYR 145 -41.117 -27.214 -18.508
 1106    HD1  TYR 145           HD2      TYR 145 -41.302 -29.015 -20.500
 1107    HD2  TYR 145           HD1      TYR 145 -43.259 -29.320 -16.692
 1108    HE1  TYR 145           HE2      TYR 145 -43.002 -30.497 -21.487
 1109    HE2  TYR 145           HE1      TYR 145 -44.929 -30.857 -17.679
 1110    HH   TYR 145           HH       TYR 145 -45.487 -31.150 -20.872
 1111    H    ARG 146           HN       ARG 146 -37.776 -29.781 -16.741
 1112    HA   ARG 146           HA       ARG 146 -37.102 -27.244 -15.341
 1113    HB2  ARG 146           HB2      ARG 146 -37.248 -30.021 -14.136
 1114    HB3  ARG 146           HB1      ARG 146 -36.677 -28.570 -13.304
 1115    HG2  ARG 146           HG2      ARG 146 -38.886 -27.520 -13.607
 1116    HG3  ARG 146           HG1      ARG 146 -39.456 -28.960 -14.455
 1117    HD2  ARG 146           HD2      ARG 146 -40.183 -29.131 -12.157
 1118    HD3  ARG 146           HD1      ARG 146 -38.887 -30.298 -12.416
 1119    HE   ARG 146           HE       ARG 146 -37.776 -27.873 -11.493
 1120   HH11  ARG 146          HH21      ARG 146 -39.727 -30.543 -10.480
 1121   HH12  ARG 146          HH22      ARG 146 -39.249 -30.444  -8.817
 1122   HH21  ARG 146          HH11      ARG 146 -37.144 -27.733  -9.309
 1123   HH22  ARG 146          HH12      ARG 146 -37.789 -28.852  -8.156
 1124    H    GLY 147           HN       GLY 147 -35.017 -26.735 -15.615
 1125    HA2  GLY 147           HA2      GLY 147 -32.732 -28.080 -15.199
 1126    HA3  GLY 147           HA1      GLY 147 -33.192 -28.675 -16.795
 1127    H    ARG 148           HN       ARG 148 -30.853 -27.420 -16.741
 1128    HA   ARG 148           HA       ARG 148 -30.749 -24.651 -16.918
 1129    HB2  ARG 148           HB2      ARG 148 -29.168 -26.814 -18.304
 1130    HB3  ARG 148           HB1      ARG 148 -28.841 -25.107 -18.620
 1131    HG2  ARG 148           HG2      ARG 148 -28.570 -24.774 -16.148
 1132    HG3  ARG 148           HG1      ARG 148 -28.716 -26.518 -15.940
 1133    HD2  ARG 148           HD2      ARG 148 -26.663 -25.217 -17.741
 1134    HD3  ARG 148           HD1      ARG 148 -26.339 -25.656 -16.070
 1135    HE   ARG 148           HE       ARG 148 -27.339 -27.941 -17.290
 1136   HH11  ARG 148          HH21      ARG 148 -24.690 -25.747 -17.661
 1137   HH12  ARG 148          HH22      ARG 148 -23.611 -26.939 -18.305
 1138   HH21  ARG 148          HH11      ARG 148 -25.929 -29.514 -18.136
 1139   HH22  ARG 148          HH12      ARG 148 -24.312 -29.072 -18.574
 1140    H    GLN 149           HN       GLN 149 -31.913 -23.312 -18.103
 1141    HA   GLN 149           HA       GLN 149 -33.181 -24.198 -20.556
 1142    HB2  GLN 149           HB2      GLN 149 -33.309 -21.638 -18.977
 1143    HB3  GLN 149           HB1      GLN 149 -34.138 -21.859 -20.520
 1144    HG2  GLN 149           HG2      GLN 149 -35.412 -23.707 -19.658
 1145    HG3  GLN 149           HG1      GLN 149 -34.472 -23.729 -18.164
 1146   HE21  GLN 149          HE21      GLN 149 -34.992 -22.182 -16.525
 1147   HE22  GLN 149          HE22      GLN 149 -36.336 -21.139 -16.643
 1148    H    TYR 150           HN       TYR 150 -32.673 -23.579 -22.605
 1149    HA   TYR 150           HA       TYR 150 -30.260 -21.872 -22.934
 1150    HB2  TYR 150           HB2      TYR 150 -31.296 -24.090 -24.695
 1151    HB3  TYR 150           HB1      TYR 150 -29.916 -23.061 -25.060
 1152    HD1  TYR 150           HD2      TYR 150 -28.180 -22.840 -22.968
 1153    HD2  TYR 150           HD1      TYR 150 -30.796 -26.169 -23.721
 1154    HE1  TYR 150           HE2      TYR 150 -26.728 -24.294 -21.587
 1155    HE2  TYR 150           HE1      TYR 150 -29.324 -27.626 -22.345
 1156    HH   TYR 150           HH       TYR 150 -26.886 -27.626 -21.636
 1157    H    LEU 151           HN       LEU 151 -30.472 -20.060 -23.999
 1158    HA   LEU 151           HA       LEU 151 -32.691 -19.698 -25.907
 1159    HB2  LEU 151           HB2      LEU 151 -32.832 -17.292 -24.773
 1160    HB3  LEU 151           HB1      LEU 151 -33.769 -18.640 -24.154
 1161    HG   LEU 151           HG       LEU 151 -32.608 -17.319 -22.384
 1162   HD11  LEU 151          HD11      LEU 151 -32.411 -19.149 -21.065
 1163   HD12  LEU 151          HD12      LEU 151 -31.235 -19.927 -22.105
 1164   HD13  LEU 151          HD13      LEU 151 -32.950 -20.036 -22.478
 1165   HD21  LEU 151          HD21      LEU 151 -30.162 -17.643 -22.080
 1166   HD22  LEU 151          HD22      LEU 151 -30.545 -16.700 -23.500
 1167   HD23  LEU 151          HD23      LEU 151 -30.075 -18.391 -23.654
 1168    H    LEU 152           HN       LEU 152 -31.093 -19.773 -27.550
 1169    HA   LEU 152           HA       LEU 152 -29.521 -17.271 -27.742
 1170    HB2  LEU 152           HB2      LEU 152 -28.575 -20.061 -28.436
 1171    HB3  LEU 152           HB1      LEU 152 -27.706 -18.575 -28.812
 1172    HG   LEU 152           HG       LEU 152 -28.513 -19.399 -26.003
 1173   HD11  LEU 152          HD11      LEU 152 -26.874 -20.973 -26.998
 1174   HD12  LEU 152          HD12      LEU 152 -26.163 -20.026 -25.689
 1175   HD13  LEU 152          HD13      LEU 152 -25.812 -19.615 -27.366
 1176   HD21  LEU 152          HD21      LEU 152 -28.165 -17.089 -25.883
 1177   HD22  LEU 152          HD22      LEU 152 -26.984 -17.085 -27.191
 1178   HD23  LEU 152          HD23      LEU 152 -26.529 -17.672 -25.593
 1179    H    ASP 153           HN       ASP 153 -30.264 -16.159 -29.363
 1180    HA   ASP 153           HA       ASP 153 -31.793 -17.389 -31.480
 1181    HB2  ASP 153           HB2      ASP 153 -32.166 -15.058 -30.503
 1182    HB3  ASP 153           HB1      ASP 153 -30.757 -14.556 -31.437
 1183    H    LYS 154           HN       LYS 154 -30.314 -18.815 -32.433
 1184    HA   LYS 154           HA       LYS 154 -28.119 -17.566 -33.992
 1185    HB2  LYS 154           HB2      LYS 154 -28.412 -20.456 -33.128
 1186    HB3  LYS 154           HB1      LYS 154 -27.037 -19.749 -33.970
 1187    HG2  LYS 154           HG2      LYS 154 -27.953 -18.741 -31.267
 1188    HG3  LYS 154           HG1      LYS 154 -26.791 -20.053 -31.431
 1189    HD2  LYS 154           HD2      LYS 154 -25.317 -18.561 -32.763
 1190    HD3  LYS 154           HD1      LYS 154 -26.461 -17.242 -32.539
 1191    HE2  LYS 154           HE2      LYS 154 -26.178 -17.380 -30.108
 1192    HE3  LYS 154           HE1      LYS 154 -25.046 -18.715 -30.306
 1193    HZ1  LYS 154           HZ1      LYS 154 -24.638 -15.891 -30.666
 1194    HZ2  LYS 154           HZ2      LYS 154 -24.052 -16.822 -31.961
 1195    HZ3  LYS 154           HZ3      LYS 154 -23.505 -17.120 -30.381
 1196    H    LYS 155           HN       LYS 155 -27.698 -19.774 -35.672
 1197    HA   LYS 155           HA       LYS 155 -30.140 -19.659 -37.356
 1198    HB2  LYS 155           HB2      LYS 155 -27.262 -20.019 -38.226
 1199    HB3  LYS 155           HB1      LYS 155 -28.668 -19.883 -39.279
 1200    HG2  LYS 155           HG2      LYS 155 -28.049 -17.655 -39.318
 1201    HG3  LYS 155           HG1      LYS 155 -29.009 -17.604 -37.844
 1202    HD2  LYS 155           HD2      LYS 155 -26.959 -17.969 -36.505
 1203    HD3  LYS 155           HD1      LYS 155 -26.004 -18.005 -37.986
 1204    HE2  LYS 155           HE2      LYS 155 -27.737 -15.663 -37.158
 1205    HE3  LYS 155           HE1      LYS 155 -26.008 -15.769 -36.829
 1206    HZ1  LYS 155           HZ1      LYS 155 -25.768 -14.849 -38.828
 1207    HZ2  LYS 155           HZ2      LYS 155 -27.372 -15.173 -39.285
 1208    HZ3  LYS 155           HZ3      LYS 155 -26.177 -16.368 -39.464
 1209    H    GLU 156           HN       GLU 156 -31.121 -21.506 -36.592
 1210    HA   GLU 156           HA       GLU 156 -31.606 -23.747 -36.488
 1211    HB2  GLU 156           HB2      GLU 156 -30.846 -23.380 -38.968
 1212    HB3  GLU 156           HB1      GLU 156 -29.405 -24.265 -38.479
 1213    HG2  GLU 156           HG2      GLU 156 -30.808 -26.139 -37.712
 1214    HG3  GLU 156           HG1      GLU 156 -32.257 -25.249 -38.177
 1215    H    TYR 157           HN       TYR 157 -30.734 -25.881 -35.813
 1216    HA   TYR 157           HA       TYR 157 -28.166 -25.598 -34.362
 1217    HB2  TYR 157           HB2      TYR 157 -30.394 -27.414 -33.494
 1218    HB3  TYR 157           HB1      TYR 157 -29.031 -26.812 -32.548
 1219    HD1  TYR 157           HD2      TYR 157 -28.938 -23.986 -32.886
 1220    HD2  TYR 157           HD1      TYR 157 -32.413 -26.512 -32.747
 1221    HE1  TYR 157           HE2      TYR 157 -30.311 -22.060 -32.155
 1222    HE2  TYR 157           HE1      TYR 157 -33.778 -24.588 -32.016
 1223    HH   TYR 157           HH       TYR 157 -33.057 -21.565 -32.400
 1224    H    ARG 158           HN       ARG 158 -26.680 -26.681 -35.467
 1225    HA   ARG 158           HA       ARG 158 -27.383 -29.317 -36.606
 1226    HB2  ARG 158           HB2      ARG 158 -25.443 -29.060 -38.033
 1227    HB3  ARG 158           HB1      ARG 158 -26.442 -27.613 -38.157
 1228    HG2  ARG 158           HG2      ARG 158 -24.974 -26.545 -36.405
 1229    HG3  ARG 158           HG1      ARG 158 -23.908 -27.947 -36.534
 1230    HD2  ARG 158           HD2      ARG 158 -24.689 -26.184 -38.863
 1231    HD3  ARG 158           HD1      ARG 158 -23.182 -26.033 -37.967
 1232    HE   ARG 158           HE       ARG 158 -23.875 -28.128 -39.867
 1233   HH11  ARG 158          HH21      ARG 158 -21.835 -27.051 -37.286
 1234   HH12  ARG 158          HH22      ARG 158 -20.533 -28.117 -37.687
 1235   HH21  ARG 158          HH11      ARG 158 -22.169 -29.527 -40.398
 1236   HH22  ARG 158          HH12      ARG 158 -20.720 -29.519 -39.449
 1237    H    LYS 159           HN       LYS 159 -25.452 -27.707 -34.220
 1238    HA   LYS 159           HA       LYS 159 -24.178 -30.291 -33.537
 1239    HB2  LYS 159           HB2      LYS 159 -22.431 -28.691 -32.394
 1240    HB3  LYS 159           HB1      LYS 159 -22.345 -28.965 -34.137
 1241    HG2  LYS 159           HG2      LYS 159 -23.679 -26.873 -34.483
 1242    HG3  LYS 159           HG1      LYS 159 -23.664 -26.632 -32.744
 1243    HD2  LYS 159           HD2      LYS 159 -21.262 -26.439 -32.722
 1244    HD3  LYS 159           HD1      LYS 159 -21.179 -26.808 -34.446
 1245    HE2  LYS 159           HE2      LYS 159 -22.468 -24.377 -33.167
 1246    HE3  LYS 159           HE1      LYS 159 -21.019 -24.396 -34.170
 1247    HZ1  LYS 159           HZ1      LYS 159 -22.334 -24.133 -35.914
 1248    HZ2  LYS 159           HZ2      LYS 159 -23.733 -24.300 -34.963
 1249    HZ3  LYS 159           HZ3      LYS 159 -22.984 -25.673 -35.629
 1250    HA   PRO 160           HA       PRO 160 -26.118 -30.138 -29.621
 1251    HB2  PRO 160           HB2      PRO 160 -24.028 -30.925 -27.945
 1252    HB3  PRO 160           HB1      PRO 160 -25.056 -31.997 -28.882
 1253    HG2  PRO 160           HG2      PRO 160 -22.356 -30.982 -29.529
 1254    HG3  PRO 160           HG1      PRO 160 -23.036 -32.597 -29.788
 1255    HD2  PRO 160           HD2      PRO 160 -22.805 -30.857 -31.813
 1256    HD3  PRO 160           HD1      PRO 160 -24.196 -31.938 -31.703
 1257    H    ILE 161           HN       ILE 161 -23.394 -28.162 -30.248
 1258    HA   ILE 161           HA       ILE 161 -23.755 -26.679 -27.725
 1259    HB   ILE 161           HB       ILE 161 -21.622 -26.362 -29.845
 1260   HG12  ILE 161          HG12      ILE 161 -20.412 -27.590 -27.673
 1261   HG13  ILE 161          HG11      ILE 161 -21.975 -28.396 -27.691
 1262   HG21  ILE 161          HG21      ILE 161 -21.637 -24.417 -28.528
 1263   HG22  ILE 161          HG22      ILE 161 -20.421 -25.422 -27.747
 1264   HG23  ILE 161          HG23      ILE 161 -22.034 -25.298 -27.051
 1265   HD11  ILE 161          HD11      ILE 161 -21.610 -28.851 -30.151
 1266   HD12  ILE 161          HD12      ILE 161 -20.472 -29.671 -29.082
 1267   HD13  ILE 161          HD13      ILE 161 -19.970 -28.226 -29.959
 1268    H    ASP 162           HN       ASP 162 -24.883 -26.696 -30.817
 1269    HA   ASP 162           HA       ASP 162 -24.665 -24.039 -31.644
 1270    HB2  ASP 162           HB2      ASP 162 -25.775 -26.228 -32.809
 1271    HB3  ASP 162           HB1      ASP 162 -27.225 -25.419 -32.281
 1272    H    TRP 163           HN       TRP 163 -26.683 -25.529 -29.238
 1273    HA   TRP 163           HA       TRP 163 -28.238 -23.028 -28.947
 1274    HB2  TRP 163           HB2      TRP 163 -29.664 -24.601 -27.445
 1275    HB3  TRP 163           HB1      TRP 163 -29.782 -24.769 -29.197
 1276    HD1  TRP 163           HD1      TRP 163 -27.308 -26.180 -26.584
 1277    HE1  TRP 163           HE1      TRP 163 -27.089 -28.710 -26.974
 1278    HE3  TRP 163           HE3      TRP 163 -30.497 -26.773 -30.527
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.090 -30.706 -28.687
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.814 -29.021 -31.536
 1281    HH2  TRP 163           HH2      TRP 163 -29.589 -30.977 -30.618
 1282    H    GLY 164           HN       GLY 164 -25.437 -23.654 -27.994
 1283    HA2  GLY 164           HA2      GLY 164 -24.209 -22.982 -26.170
 1284    HA3  GLY 164           HA1      GLY 164 -25.702 -22.365 -25.484
 1285    H    ALA 165           HN       ALA 165 -25.327 -25.784 -26.299
 1286    HA   ALA 165           HA       ALA 165 -25.329 -26.375 -23.365
 1287    HB1  ALA 165           HB1      ALA 165 -26.300 -28.531 -23.931
 1288    HB2  ALA 165           HB2      ALA 165 -26.235 -28.127 -25.635
 1289    HB3  ALA 165           HB3      ALA 165 -27.306 -27.230 -24.561
 1290    H    ALA 166           HN       ALA 166 -23.795 -27.656 -22.526
 1291    HA   ALA 166           HA       ALA 166 -21.403 -28.067 -24.082
 1292    HB1  ALA 166           HB1      ALA 166 -20.516 -29.010 -21.948
 1293    HB2  ALA 166           HB2      ALA 166 -22.114 -28.803 -21.231
 1294    HB3  ALA 166           HB3      ALA 166 -21.194 -27.393 -21.757
 1295    H    SER 167           HN       SER 167 -23.984 -29.574 -24.664
 1296    HA   SER 167           HA       SER 167 -22.902 -31.932 -25.596
 1297    HB2  SER 167           HB2      SER 167 -23.566 -32.016 -22.727
 1298    HB3  SER 167           HB1      SER 167 -24.198 -33.370 -23.663
 1299    HG   SER 167           HG       SER 167 -21.762 -33.074 -22.795
 1300    HA   PRO 168           HA       PRO 168 -26.971 -32.180 -27.322
 1301    HB2  PRO 168           HB2      PRO 168 -27.170 -34.854 -27.925
 1302    HB3  PRO 168           HB1      PRO 168 -26.174 -33.740 -28.851
 1303    HG2  PRO 168           HG2      PRO 168 -25.360 -35.645 -26.733
 1304    HG3  PRO 168           HG1      PRO 168 -24.540 -35.239 -28.248
 1305    HD2  PRO 168           HD2      PRO 168 -23.753 -34.214 -25.837
 1306    HD3  PRO 168           HD1      PRO 168 -23.566 -33.314 -27.357
 1307    H    ALA 169           HN       ALA 169 -26.157 -34.556 -24.856
 1308    HA   ALA 169           HA       ALA 169 -28.604 -35.597 -24.173
 1309    HB1  ALA 169           HB1      ALA 169 -26.430 -34.791 -22.245
 1310    HB2  ALA 169           HB2      ALA 169 -26.497 -36.311 -23.137
 1311    HB3  ALA 169           HB3      ALA 169 -27.723 -35.945 -21.924
 1312    H    VAL 170           HN       VAL 170 -30.062 -33.763 -24.691
 1313    HA   VAL 170           HA       VAL 170 -30.144 -31.674 -22.635
 1314    HB   VAL 170           HB       VAL 170 -31.811 -32.038 -25.136
 1315   HG11  VAL 170          HG11      VAL 170 -33.014 -30.178 -24.521
 1316   HG12  VAL 170          HG12      VAL 170 -31.579 -29.332 -23.945
 1317   HG13  VAL 170          HG13      VAL 170 -32.410 -30.460 -22.891
 1318   HG21  VAL 170          HG21      VAL 170 -29.988 -31.240 -26.255
 1319   HG22  VAL 170          HG22      VAL 170 -29.082 -31.065 -24.754
 1320   HG23  VAL 170          HG23      VAL 170 -30.105 -29.750 -25.321
 1321    H    GLN 171           HN       GLN 171 -33.116 -32.630 -24.113
 1322    HA   GLN 171           HA       GLN 171 -34.208 -34.570 -22.750
 1323    HB2  GLN 171           HB2      GLN 171 -33.548 -32.660 -20.711
 1324    HB3  GLN 171           HB1      GLN 171 -35.265 -32.647 -20.835
 1325    HG2  GLN 171           HG2      GLN 171 -34.537 -34.337 -19.256
 1326    HG3  GLN 171           HG1      GLN 171 -35.328 -35.088 -20.620
 1327   HE21  GLN 171          HE21      GLN 171 -34.068 -36.461 -21.983
 1328   HE22  GLN 171          HE22      GLN 171 -32.447 -36.849 -21.659
 1329    H    SER 172           HN       SER 172 -36.580 -32.968 -21.673
 1330    HA   SER 172           HA       SER 172 -37.891 -32.764 -24.262
 1331    HB2  SER 172           HB2      SER 172 -39.803 -33.240 -23.096
 1332    HB3  SER 172           HB1      SER 172 -38.628 -33.917 -21.987
 1333    HG   SER 172           HG       SER 172 -38.614 -31.587 -21.169
 1334    H    PHE 173           HN       PHE 173 -39.958 -30.996 -23.405
 1335    HA   PHE 173           HA       PHE 173 -38.836 -28.490 -22.677
 1336    HB2  PHE 173           HB2      PHE 173 -39.010 -27.377 -24.874
 1337    HB3  PHE 173           HB1      PHE 173 -37.776 -28.648 -24.857
 1338    HD1  PHE 173           HD1      PHE 173 -41.282 -27.884 -25.840
 1339    HD2  PHE 173           HD2      PHE 173 -37.952 -30.563 -26.244
 1340    HE1  PHE 173           HE1      PHE 173 -42.453 -29.062 -27.678
 1341    HE2  PHE 173           HE2      PHE 173 -39.122 -31.744 -28.079
 1342    HZ   PHE 173           HZ       PHE 173 -41.375 -30.992 -28.801
 1343    H    ARG 174           HN       ARG 174 -40.422 -26.668 -23.622
 1344    HA   ARG 174           HA       ARG 174 -43.150 -27.562 -23.852
 1345    HB2  ARG 174           HB2      ARG 174 -43.872 -26.193 -21.832
 1346    HB3  ARG 174           HB1      ARG 174 -43.102 -27.740 -21.508
 1347    HG2  ARG 174           HG2      ARG 174 -41.095 -26.763 -20.794
 1348    HG3  ARG 174           HG1      ARG 174 -41.394 -25.264 -21.659
 1349    HD2  ARG 174           HD2      ARG 174 -43.031 -26.186 -19.288
 1350    HD3  ARG 174           HD1      ARG 174 -41.666 -25.070 -19.176
 1351    HE   ARG 174           HE       ARG 174 -43.291 -23.965 -21.091
 1352   HH11  ARG 174          HH21      ARG 174 -43.646 -25.031 -17.819
 1353   HH12  ARG 174          HH22      ARG 174 -44.871 -23.870 -17.427
 1354   HH21  ARG 174          HH11      ARG 174 -44.893 -22.438 -20.587
 1355   HH22  ARG 174          HH12      ARG 174 -45.577 -22.402 -18.997
 1356    H    ARG 175           HN       ARG 175 -44.270 -26.159 -25.023
 1357    HA   ARG 175           HA       ARG 175 -43.158 -23.953 -26.246
 1358    HB2  ARG 175           HB2      ARG 175 -45.355 -23.426 -27.004
 1359    HB3  ARG 175           HB1      ARG 175 -45.300 -25.180 -26.850
 1360    HG2  ARG 175           HG2      ARG 175 -46.208 -24.738 -24.428
 1361    HG3  ARG 175           HG1      ARG 175 -46.703 -23.182 -25.096
 1362    HD2  ARG 175           HD2      ARG 175 -47.583 -25.946 -25.909
 1363    HD3  ARG 175           HD1      ARG 175 -48.578 -24.563 -25.461
 1364    HE   ARG 175           HE       ARG 175 -47.045 -24.011 -27.806
 1365   HH11  ARG 175          HH21      ARG 175 -49.793 -25.731 -26.599
 1366   HH12  ARG 175          HH22      ARG 175 -50.641 -25.712 -28.110
 1367   HH21  ARG 175          HH11      ARG 175 -48.151 -23.984 -29.793
 1368   HH22  ARG 175          HH12      ARG 175 -49.713 -24.724 -29.917
 1369    H    ILE 176           HN       ILE 176 -42.821 -21.907 -25.749
 1370    HA   ILE 176           HA       ILE 176 -42.977 -21.009 -23.070
 1371    HB   ILE 176           HB       ILE 176 -42.752 -19.257 -25.530
 1372   HG12  ILE 176          HG12      ILE 176 -40.660 -20.858 -24.033
 1373   HG13  ILE 176          HG11      ILE 176 -41.095 -21.006 -25.735
 1374   HG21  ILE 176          HG21      ILE 176 -43.124 -18.255 -23.187
 1375   HG22  ILE 176          HG22      ILE 176 -41.703 -17.695 -24.067
 1376   HG23  ILE 176          HG23      ILE 176 -41.529 -18.892 -22.785
 1377   HD11  ILE 176          HD11      ILE 176 -39.429 -18.937 -24.377
 1378   HD12  ILE 176          HD12      ILE 176 -40.458 -18.386 -25.693
 1379   HD13  ILE 176          HD13      ILE 176 -39.259 -19.644 -25.984
 1380    H    VAL 177           HN       VAL 177 -44.523 -19.937 -21.968
 1381    HA   VAL 177           HA       VAL 177 -46.887 -18.943 -23.442
 1382    HB   VAL 177           HB       VAL 177 -46.871 -20.734 -21.004
 1383   HG11  VAL 177          HG11      VAL 177 -49.042 -19.023 -22.229
 1384   HG12  VAL 177          HG12      VAL 177 -48.529 -19.090 -20.544
 1385   HG13  VAL 177          HG13      VAL 177 -49.415 -20.443 -21.250
 1386   HG21  VAL 177          HG21      VAL 177 -48.385 -22.089 -22.505
 1387   HG22  VAL 177          HG22      VAL 177 -46.724 -21.963 -23.085
 1388   HG23  VAL 177          HG23      VAL 177 -47.989 -20.974 -23.814
 1389    H    GLU 178           HN       GLU 178 -47.672 -17.054 -22.739
 1390    HA   GLU 178           HA       GLU 178 -47.354 -16.035 -20.116
 1391    HB2  GLU 178           HB2      GLU 178 -44.992 -15.828 -21.108
 1392    HB3  GLU 178           HB1      GLU 178 -45.673 -14.585 -22.157
 1393    HG2  GLU 178           HG2      GLU 178 -45.916 -14.522 -19.141
 1394    HG3  GLU 178           HG1      GLU 178 -44.627 -13.714 -20.026
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1 -46.777   5.946 -17.273
    2    H2   GLY   1           HT2      GLY   1 -45.286   5.363 -17.842
    3    H3   GLY   1           HT3      GLY   1 -46.703   4.461 -18.089
    4    HA2  GLY   1           HA2      GLY   1 -47.540   6.488 -19.376
    5    HA3  GLY   1           HA1      GLY   1 -45.839   6.949 -19.416
    6    H    SER   2           HN       SER   2 -45.685   6.648 -21.668
    7    HA   SER   2           HA       SER   2 -45.567   5.481 -23.668
    8    HB2  SER   2           HB2      SER   2 -43.972   3.654 -23.569
    9    HB3  SER   2           HB1      SER   2 -43.455   4.927 -22.470
   10    HG   SER   2           HG       SER   2 -44.176   3.737 -20.762
   11    H    LYS   3           HN       LYS   3 -45.374   2.577 -23.897
   12    HA   LYS   3           HA       LYS   3 -47.973   1.575 -23.002
   13    HB2  LYS   3           HB2      LYS   3 -48.309   0.831 -25.521
   14    HB3  LYS   3           HB1      LYS   3 -48.816   2.436 -24.990
   15    HG2  LYS   3           HG2      LYS   3 -46.786   3.437 -25.823
   16    HG3  LYS   3           HG1      LYS   3 -46.094   1.853 -26.181
   17    HD2  LYS   3           HD2      LYS   3 -47.901   1.445 -27.824
   18    HD3  LYS   3           HD1      LYS   3 -48.565   3.043 -27.480
   19    HE2  LYS   3           HE2      LYS   3 -46.488   4.097 -28.247
   20    HE3  LYS   3           HE1      LYS   3 -45.776   2.512 -28.544
   21    HZ1  LYS   3           HZ1      LYS   3 -46.635   3.404 -30.585
   22    HZ2  LYS   3           HZ2      LYS   3 -48.162   3.659 -29.888
   23    HZ3  LYS   3           HZ3      LYS   3 -47.588   2.077 -30.124
   24    H    THR   4           HN       THR   4 -44.804   1.120 -23.237
   25    HA   THR   4           HA       THR   4 -44.475  -1.425 -24.401
   26    HB   THR   4           HB       THR   4 -42.453  -1.548 -22.861
   27    HG1  THR   4           HG1      THR   4 -43.439  -0.176 -21.258
   28   HG21  THR   4          HG21      THR   4 -42.938   0.850 -24.641
   29   HG22  THR   4          HG22      THR   4 -42.177  -0.679 -25.082
   30   HG23  THR   4          HG23      THR   4 -41.352   0.434 -23.993
   31    H    GLY   5           HN       GLY   5 -43.847  -3.397 -23.100
   32    HA2  GLY   5           HA2      GLY   5 -45.401  -3.727 -20.611
   33    HA3  GLY   5           HA1      GLY   5 -45.757  -4.785 -21.972
   34    H    THR   6           HN       THR   6 -42.547  -3.602 -21.126
   35    HA   THR   6           HA       THR   6 -41.785  -6.310 -20.186
   36    HB   THR   6           HB       THR   6 -39.585  -5.891 -21.423
   37    HG1  THR   6           HG1      THR   6 -39.462  -4.067 -22.416
   38   HG21  THR   6          HG21      THR   6 -42.165  -6.285 -22.960
   39   HG22  THR   6          HG22      THR   6 -41.172  -7.542 -22.220
   40   HG23  THR   6          HG23      THR   6 -40.560  -6.637 -23.604
   41    H    LYS   7           HN       LYS   7 -40.976  -6.182 -18.223
   42    HA   LYS   7           HA       LYS   7 -38.953  -4.254 -17.544
   43    HB2  LYS   7           HB2      LYS   7 -40.682  -2.731 -17.092
   44    HB3  LYS   7           HB1      LYS   7 -41.725  -3.978 -16.411
   45    HG2  LYS   7           HG2      LYS   7 -40.487  -4.097 -14.405
   46    HG3  LYS   7           HG1      LYS   7 -39.076  -3.314 -15.112
   47    HD2  LYS   7           HD2      LYS   7 -40.089  -1.184 -15.077
   48    HD3  LYS   7           HD1      LYS   7 -41.704  -1.852 -14.878
   49    HE2  LYS   7           HE2      LYS   7 -41.295  -2.451 -12.615
   50    HE3  LYS   7           HE1      LYS   7 -39.552  -2.253 -12.798
   51    HZ1  LYS   7           HZ1      LYS   7 -39.973  -0.254 -11.893
   52    HZ2  LYS   7           HZ2      LYS   7 -41.611  -0.260 -12.343
   53    HZ3  LYS   7           HZ3      LYS   7 -40.419   0.176 -13.472
   54    H    ILE   8           HN       ILE   8 -37.902  -4.710 -15.575
   55    HA   ILE   8           HA       ILE   8 -38.739  -7.082 -14.102
   56    HB   ILE   8           HB       ILE   8 -37.370  -7.961 -15.946
   57   HG12  ILE   8          HG12      ILE   8 -35.774  -8.096 -13.388
   58   HG13  ILE   8          HG11      ILE   8 -37.365  -8.842 -13.512
   59   HG21  ILE   8          HG21      ILE   8 -34.763  -7.195 -15.343
   60   HG22  ILE   8          HG22      ILE   8 -35.651  -5.685 -15.225
   61   HG23  ILE   8          HG23      ILE   8 -35.720  -6.619 -16.706
   62   HD11  ILE   8          HD11      ILE   8 -35.267  -9.416 -15.598
   63   HD12  ILE   8          HD12      ILE   8 -36.671 -10.376 -15.129
   64   HD13  ILE   8          HD13      ILE   8 -35.270 -10.287 -14.064
   65    H    THR   9           HN       THR   9 -37.995  -7.231 -11.988
   66    HA   THR   9           HA       THR   9 -36.166  -5.121 -11.112
   67    HB   THR   9           HB       THR   9 -38.683  -5.874  -9.617
   68    HG1  THR   9           HG1      THR   9 -39.378  -4.823 -11.395
   69   HG21  THR   9          HG21      THR   9 -37.020  -3.371  -9.336
   70   HG22  THR   9          HG22      THR   9 -36.556  -4.845  -8.486
   71   HG23  THR   9          HG23      THR   9 -38.122  -4.099  -8.167
   72    H    PHE  10           HN       PHE  10 -34.795  -5.676  -9.485
   73    HA   PHE  10           HA       PHE  10 -34.951  -8.452  -8.452
   74    HB2  PHE  10           HB2      PHE  10 -32.431  -6.872  -8.960
   75    HB3  PHE  10           HB1      PHE  10 -32.570  -8.583  -8.558
   76    HD1  PHE  10           HD1      PHE  10 -33.012  -6.038 -11.179
   77    HD2  PHE  10           HD2      PHE  10 -33.259 -10.214 -10.232
   78    HE1  PHE  10           HE1      PHE  10 -33.161  -6.576 -13.597
   79    HE2  PHE  10           HE2      PHE  10 -33.413 -10.756 -12.643
   80    HZ   PHE  10           HZ       PHE  10 -33.366  -8.931 -14.323
   81    H    TYR  11           HN       TYR  11 -35.445  -8.379  -6.345
   82    HA   TYR  11           HA       TYR  11 -34.737  -6.031  -4.752
   83    HB2  TYR  11           HB2      TYR  11 -36.566  -8.381  -4.291
   84    HB3  TYR  11           HB1      TYR  11 -36.229  -7.160  -3.072
   85    HD1  TYR  11           HD1      TYR  11 -37.645  -7.704  -6.465
   86    HD2  TYR  11           HD2      TYR  11 -37.197  -4.988  -3.170
   87    HE1  TYR  11           HE1      TYR  11 -39.388  -6.234  -7.436
   88    HE2  TYR  11           HE2      TYR  11 -38.932  -3.510  -4.150
   89    HH   TYR  11           HH       TYR  11 -39.981  -3.049  -6.281
   90    H    GLU  12           HN       GLU  12 -33.398  -6.036  -3.073
   91    HA   GLU  12           HA       GLU  12 -31.368  -7.983  -2.972
   92    HB2  GLU  12           HB2      GLU  12 -31.425  -5.498  -2.176
   93    HB3  GLU  12           HB1      GLU  12 -31.969  -6.172  -0.640
   94    HG2  GLU  12           HG2      GLU  12 -29.476  -7.126  -2.095
   95    HG3  GLU  12           HG1      GLU  12 -29.453  -5.849  -0.891
   96    H    ASP  13           HN       ASP  13 -34.089  -7.311  -0.745
   97    HA   ASP  13           HA       ASP  13 -33.610  -9.879   0.574
   98    HB2  ASP  13           HB2      ASP  13 -35.289  -7.483   1.280
   99    HB3  ASP  13           HB1      ASP  13 -35.412  -9.018   2.136
  100    H    LYS  14           HN       LYS  14 -35.890 -10.722   1.347
  101    HA   LYS  14           HA       LYS  14 -37.189 -11.590  -1.081
  102    HB2  LYS  14           HB2      LYS  14 -37.677 -12.285   1.815
  103    HB3  LYS  14           HB1      LYS  14 -38.548 -12.993   0.457
  104    HG2  LYS  14           HG2      LYS  14 -36.876 -14.576   0.619
  105    HG3  LYS  14           HG1      LYS  14 -36.028 -13.440  -0.419
  106    HD2  LYS  14           HD2      LYS  14 -34.519 -13.983   1.345
  107    HD3  LYS  14           HD1      LYS  14 -35.116 -12.366   1.702
  108    HE2  LYS  14           HE2      LYS  14 -36.334 -13.079   3.542
  109    HE3  LYS  14           HE1      LYS  14 -36.615 -14.688   2.875
  110    HZ1  LYS  14           HZ1      LYS  14 -34.275 -13.656   4.308
  111    HZ2  LYS  14           HZ2      LYS  14 -34.027 -14.844   3.118
  112    HZ3  LYS  14           HZ3      LYS  14 -35.048 -15.159   4.439
  113    H    ASN  15           HN       ASN  15 -39.677 -11.922  -0.691
  114    HA   ASN  15           HA       ASN  15 -41.689 -10.880  -0.960
  115    HB2  ASN  15           HB2      ASN  15 -40.979  -9.253   1.479
  116    HB3  ASN  15           HB1      ASN  15 -42.542  -9.913   0.998
  117   HD21  ASN  15          HD21      ASN  15 -41.039 -12.527   0.267
  118   HD22  ASN  15          HD22      ASN  15 -40.832 -13.281   1.776
  119    H    PHE  16           HN       PHE  16 -39.214  -9.543  -2.035
  120    HA   PHE  16           HA       PHE  16 -38.670  -7.676  -3.158
  121    HB2  PHE  16           HB2      PHE  16 -41.448  -6.582  -2.970
  122    HB3  PHE  16           HB1      PHE  16 -40.341  -6.595  -4.343
  123    HD1  PHE  16           HD2      PHE  16 -39.777  -8.826  -5.410
  124    HD2  PHE  16           HD1      PHE  16 -43.078  -8.284  -2.727
  125    HE1  PHE  16           HE2      PHE  16 -40.828 -10.890  -6.282
  126    HE2  PHE  16           HE1      PHE  16 -44.131 -10.351  -3.600
  127    HZ   PHE  16           HZ       PHE  16 -43.001 -11.654  -5.385
  128    H    GLN  17           HN       GLN  17 -38.071  -7.547  -0.512
  129    HA   GLN  17           HA       GLN  17 -38.789  -4.780   0.275
  130    HB2  GLN  17           HB2      GLN  17 -38.008  -7.177   1.947
  131    HB3  GLN  17           HB1      GLN  17 -38.132  -5.536   2.583
  132    HG2  GLN  17           HG2      GLN  17 -40.474  -5.409   1.966
  133    HG3  GLN  17           HG1      GLN  17 -40.382  -6.972   1.149
  134   HE21  GLN  17          HE21      GLN  17 -39.455  -8.788   2.738
  135   HE22  GLN  17          HE22      GLN  17 -40.134  -8.789   4.298
  136    H    GLY  18           HN       GLY  18 -37.087  -3.682   1.566
  137    HA2  GLY  18           HA2      GLY  18 -34.921  -2.973   1.902
  138    HA3  GLY  18           HA1      GLY  18 -34.366  -4.503   1.260
  139    H    ARG  19           HN       ARG  19 -32.836  -3.777   0.024
  140    HA   ARG  19           HA       ARG  19 -33.008  -1.572  -1.809
  141    HB2  ARG  19           HB2      ARG  19 -30.976  -3.492  -1.076
  142    HB3  ARG  19           HB1      ARG  19 -31.043  -3.371  -2.829
  143    HG2  ARG  19           HG2      ARG  19 -30.815  -0.931  -2.689
  144    HG3  ARG  19           HG1      ARG  19 -30.754  -1.025  -0.930
  145    HD2  ARG  19           HD2      ARG  19 -28.818  -2.430  -2.785
  146    HD3  ARG  19           HD1      ARG  19 -28.489  -0.897  -1.981
  147    HE   ARG  19           HE       ARG  19 -29.271  -2.757  -0.026
  148   HH11  ARG  19          HH21      ARG  19 -26.758  -2.161  -2.310
  149   HH12  ARG  19          HH22      ARG  19 -25.524  -2.930  -1.371
  150   HH21  ARG  19          HH11      ARG  19 -27.671  -3.778   1.221
  151   HH22  ARG  19          HH12      ARG  19 -26.043  -3.850   0.636
  152    H    ARG  20           HN       ARG  20 -32.865  -1.808  -4.254
  153    HA   ARG  20           HA       ARG  20 -33.779  -4.173  -5.443
  154    HB2  ARG  20           HB2      ARG  20 -36.031  -3.539  -6.038
  155    HB3  ARG  20           HB1      ARG  20 -35.872  -3.405  -4.286
  156    HG2  ARG  20           HG2      ARG  20 -36.692  -1.292  -4.534
  157    HG3  ARG  20           HG1      ARG  20 -35.078  -0.876  -5.112
  158    HD2  ARG  20           HD2      ARG  20 -35.918  -1.584  -7.447
  159    HD3  ARG  20           HD1      ARG  20 -37.534  -1.557  -6.740
  160    HE   ARG  20           HE       ARG  20 -36.008   0.862  -6.276
  161   HH11  ARG  20          HH21      ARG  20 -38.123  -0.905  -8.339
  162   HH12  ARG  20          HH22      ARG  20 -38.761   0.497  -9.133
  163   HH21  ARG  20          HH11      ARG  20 -36.830   2.725  -7.298
  164   HH22  ARG  20          HH12      ARG  20 -38.026   2.561  -8.540
  165    H    TYR  21           HN       TYR  21 -34.000  -3.927  -7.775
  166    HA   TYR  21           HA       TYR  21 -33.020  -1.340  -8.819
  167    HB2  TYR  21           HB2      TYR  21 -31.209  -3.182  -8.695
  168    HB3  TYR  21           HB1      TYR  21 -32.124  -3.988  -9.968
  169    HD1  TYR  21           HD1      TYR  21 -30.740  -0.649  -9.074
  170    HD2  TYR  21           HD2      TYR  21 -31.705  -3.401 -12.221
  171    HE1  TYR  21           HE1      TYR  21 -29.704   0.879 -10.714
  172    HE2  TYR  21           HE2      TYR  21 -30.675  -1.871 -13.877
  173    HH   TYR  21           HH       TYR  21 -28.605   0.269 -13.354
  174    H    ASP  22           HN       ASP  22 -34.146  -0.633 -10.560
  175    HA   ASP  22           HA       ASP  22 -36.044  -2.525 -11.855
  176    HB2  ASP  22           HB2      ASP  22 -37.581  -0.592 -12.111
  177    HB3  ASP  22           HB1      ASP  22 -37.284  -1.001 -10.421
  178    H    CYS  23           HN       CYS  23 -35.739  -2.759 -13.969
  179    HA   CYS  23           HA       CYS  23 -34.924  -0.500 -15.621
  180    HB2  CYS  23           HB2      CYS  23 -32.839  -1.767 -14.748
  181    HB3  CYS  23           HB1      CYS  23 -33.340  -3.048 -15.851
  182    HG   CYS  23           HG       CYS  23 -33.352  -0.899 -17.673
  183    H    ASP  24           HN       ASP  24 -35.593  -0.681 -17.731
  184    HA   ASP  24           HA       ASP  24 -37.059  -3.148 -18.462
  185    HB2  ASP  24           HB2      ASP  24 -38.682  -1.745 -19.619
  186    HB3  ASP  24           HB1      ASP  24 -38.595  -1.280 -17.923
  187    H    CYS  25           HN       CYS  25 -34.263  -2.295 -19.035
  188    HA   CYS  25           HA       CYS  25 -34.387  -2.591 -21.958
  189    HB2  CYS  25           HB2      CYS  25 -34.151  -0.102 -21.214
  190    HB3  CYS  25           HB1      CYS  25 -32.498  -0.549 -20.802
  191    HG   CYS  25           HG       CYS  25 -33.593  -1.054 -23.690
  192    H    ASP  26           HN       ASP  26 -32.705  -3.740 -22.814
  193    HA   ASP  26           HA       ASP  26 -31.359  -5.642 -21.438
  194    HB2  ASP  26           HB2      ASP  26 -29.734  -5.728 -23.260
  195    HB3  ASP  26           HB1      ASP  26 -31.352  -5.452 -23.902
  196    H    CYS  27           HN       CYS  27 -29.150  -5.887 -20.725
  197    HA   CYS  27           HA       CYS  27 -27.551  -3.545 -20.211
  198    HB2  CYS  27           HB2      CYS  27 -29.292  -4.713 -18.096
  199    HB3  CYS  27           HB1      CYS  27 -27.655  -4.265 -17.616
  200    HG   CYS  27           HG       CYS  27 -28.447  -1.925 -17.571
  201    H    ALA  28           HN       ALA  28 -25.539  -4.137 -18.991
  202    HA   ALA  28           HA       ALA  28 -24.615  -6.772 -19.900
  203    HB1  ALA  28           HB1      ALA  28 -23.279  -4.752 -20.450
  204    HB2  ALA  28           HB2      ALA  28 -22.375  -5.909 -19.472
  205    HB3  ALA  28           HB3      ALA  28 -23.050  -4.459 -18.726
  206    H    ASP  29           HN       ASP  29 -24.400  -4.764 -16.951
  207    HA   ASP  29           HA       ASP  29 -24.823  -7.074 -15.253
  208    HB2  ASP  29           HB2      ASP  29 -22.409  -7.206 -15.713
  209    HB3  ASP  29           HB1      ASP  29 -22.210  -5.545 -15.161
  210    H    PHE  30           HN       PHE  30 -26.412  -6.202 -14.062
  211    HA   PHE  30           HA       PHE  30 -26.207  -3.438 -13.088
  212    HB2  PHE  30           HB2      PHE  30 -28.504  -3.451 -12.859
  213    HB3  PHE  30           HB1      PHE  30 -28.344  -4.692 -14.098
  214    HD1  PHE  30           HD2      PHE  30 -28.169  -7.131 -13.318
  215    HD2  PHE  30           HD1      PHE  30 -29.473  -3.954 -10.772
  216    HE1  PHE  30           HE2      PHE  30 -29.209  -8.793 -11.792
  217    HE2  PHE  30           HE1      PHE  30 -30.518  -5.590  -9.246
  218    HZ   PHE  30           HZ       PHE  30 -30.389  -8.016  -9.751
  219    H    HIS  31           HN       HIS  31 -24.910  -6.170 -12.136
  220    HA   HIS  31           HA       HIS  31 -25.722  -6.627  -9.493
  221    HB2  HIS  31           HB2      HIS  31 -24.236  -8.162 -10.692
  222    HB3  HIS  31           HB1      HIS  31 -22.957  -6.944 -10.679
  223    HD2  HIS  31           HD2      HIS  31 -21.462  -6.888  -8.330
  224    HE1  HIS  31           HE1      HIS  31 -23.929  -9.431  -6.035
  225    HE2  HIS  31           HE2      HIS  31 -21.728  -8.163  -6.068
  226    H    THR  32           HN       THR  32 -23.666  -4.220 -10.899
  227    HA   THR  32           HA       THR  32 -22.356  -3.316  -8.590
  228    HB   THR  32           HB       THR  32 -22.165  -1.134  -9.756
  229    HG1  THR  32           HG1      THR  32 -23.225  -1.815 -12.074
  230   HG21  THR  32          HG21      THR  32 -21.767  -3.571 -11.512
  231   HG22  THR  32          HG22      THR  32 -20.636  -2.991 -10.290
  232   HG23  THR  32          HG23      THR  32 -20.967  -2.015 -11.722
  233    H    TYR  33           HN       TYR  33 -25.630  -2.837  -9.693
  234    HA   TYR  33           HA       TYR  33 -26.195  -0.776  -7.705
  235    HB2  TYR  33           HB2      TYR  33 -27.952  -2.178  -9.722
  236    HB3  TYR  33           HB1      TYR  33 -28.477  -0.867  -8.667
  237    HD1  TYR  33           HD2      TYR  33 -27.155   1.356  -8.763
  238    HD2  TYR  33           HD1      TYR  33 -26.897  -1.694 -11.767
  239    HE1  TYR  33           HE2      TYR  33 -26.237   3.013 -10.366
  240    HE2  TYR  33           HE1      TYR  33 -25.975  -0.045 -13.372
  241    HH   TYR  33           HH       TYR  33 -25.523   2.107 -13.735
  242    H    LEU  34           HN       LEU  34 -26.298  -4.189  -7.932
  243    HA   LEU  34           HA       LEU  34 -27.716  -4.318  -5.356
  244    HB2  LEU  34           HB2      LEU  34 -29.269  -4.780  -7.363
  245    HB3  LEU  34           HB1      LEU  34 -28.352  -6.270  -7.563
  246    HG   LEU  34           HG       LEU  34 -28.870  -6.841  -5.190
  247   HD11  LEU  34          HD11      LEU  34 -31.071  -5.420  -4.466
  248   HD12  LEU  34          HD12      LEU  34 -30.165  -4.165  -5.307
  249   HD13  LEU  34          HD13      LEU  34 -29.440  -5.012  -3.942
  250   HD21  LEU  34          HD21      LEU  34 -30.250  -7.896  -6.813
  251   HD22  LEU  34          HD22      LEU  34 -31.102  -6.395  -7.158
  252   HD23  LEU  34          HD23      LEU  34 -31.383  -7.227  -5.633
  253    H    SER  35           HN       SER  35 -26.898  -5.815  -3.956
  254    HA   SER  35           HA       SER  35 -24.505  -7.286  -4.869
  255    HB2  SER  35           HB2      SER  35 -25.454  -6.414  -2.138
  256    HB3  SER  35           HB1      SER  35 -24.062  -7.461  -2.397
  257    HG   SER  35           HG       SER  35 -23.072  -5.599  -2.582
  258    H    ARG  36           HN       ARG  36 -27.753  -7.780  -4.222
  259    HA   ARG  36           HA       ARG  36 -27.390 -10.665  -4.210
  260    HB2  ARG  36           HB2      ARG  36 -27.375  -9.865  -1.769
  261    HB3  ARG  36           HB1      ARG  36 -29.070  -9.457  -2.022
  262    HG2  ARG  36           HG2      ARG  36 -29.492 -11.810  -2.746
  263    HG3  ARG  36           HG1      ARG  36 -27.817 -12.198  -2.348
  264    HD2  ARG  36           HD2      ARG  36 -29.859 -11.085  -0.404
  265    HD3  ARG  36           HD1      ARG  36 -29.355 -12.769  -0.489
  266    HE   ARG  36           HE       ARG  36 -27.843 -10.556   0.632
  267   HH11  ARG  36          HH21      ARG  36 -27.805 -13.759  -0.680
  268   HH12  ARG  36          HH22      ARG  36 -26.330 -14.214   0.106
  269   HH21  ARG  36          HH11      ARG  36 -25.907 -11.149   1.669
  270   HH22  ARG  36          HH12      ARG  36 -25.256 -12.736   1.437
  271    H    CYS  37           HN       CYS  37 -29.114 -11.753  -5.065
  272    HA   CYS  37           HA       CYS  37 -31.362 -10.067  -6.027
  273    HB2  CYS  37           HB2      CYS  37 -30.635 -12.689  -7.281
  274    HB3  CYS  37           HB1      CYS  37 -31.356 -11.254  -8.011
  275    HG   CYS  37           HG       CYS  37 -28.422 -11.838  -7.941
  276    H    ASN  38           HN       ASN  38 -32.905 -10.332  -4.552
  277    HA   ASN  38           HA       ASN  38 -33.894 -13.066  -4.050
  278    HB2  ASN  38           HB2      ASN  38 -33.838 -10.709  -2.163
  279    HB3  ASN  38           HB1      ASN  38 -34.672 -12.220  -1.854
  280   HD21  ASN  38          HD21      ASN  38 -32.685 -11.493  -0.056
  281   HD22  ASN  38          HD22      ASN  38 -31.321 -12.488  -0.264
  282    H    SER  39           HN       SER  39 -36.138 -13.183  -3.845
  283    HA   SER  39           HA       SER  39 -38.148 -12.852  -4.867
  284    HB2  SER  39           HB2      SER  39 -39.291 -10.832  -3.860
  285    HB3  SER  39           HB1      SER  39 -38.601 -11.984  -2.736
  286    HG   SER  39           HG       SER  39 -36.760 -10.614  -2.611
  287    H    ILE  40           HN       ILE  40 -38.915 -12.358  -6.731
  288    HA   ILE  40           HA       ILE  40 -38.167  -9.813  -8.048
  289    HB   ILE  40           HB       ILE  40 -37.698 -12.612  -9.048
  290   HG12  ILE  40          HG12      ILE  40 -35.897 -10.235  -9.470
  291   HG13  ILE  40          HG11      ILE  40 -35.952 -10.988  -7.870
  292   HG21  ILE  40          HG21      ILE  40 -38.207 -10.133 -10.680
  293   HG22  ILE  40          HG22      ILE  40 -38.831 -11.762 -10.922
  294   HG23  ILE  40          HG23      ILE  40 -37.143 -11.401 -11.290
  295   HD11  ILE  40          HD11      ILE  40 -35.220 -12.314 -10.508
  296   HD12  ILE  40          HD12      ILE  40 -35.470 -13.205  -9.008
  297   HD13  ILE  40          HD13      ILE  40 -34.161 -12.035  -9.126
  298    H    LYS  41           HN       LYS  41 -39.623  -8.996  -9.459
  299    HA   LYS  41           HA       LYS  41 -41.938 -10.554 -10.329
  300    HB2  LYS  41           HB2      LYS  41 -43.490  -8.711  -9.416
  301    HB3  LYS  41           HB1      LYS  41 -42.900  -9.941  -8.298
  302    HG2  LYS  41           HG2      LYS  41 -41.379  -8.505  -7.314
  303    HG3  LYS  41           HG1      LYS  41 -41.349  -7.403  -8.665
  304    HD2  LYS  41           HD2      LYS  41 -42.606  -6.596  -6.590
  305    HD3  LYS  41           HD1      LYS  41 -43.467  -6.491  -8.123
  306    HE2  LYS  41           HE2      LYS  41 -44.892  -8.252  -7.591
  307    HE3  LYS  41           HE1      LYS  41 -43.766  -8.969  -6.441
  308    HZ1  LYS  41           HZ1      LYS  41 -44.655  -7.797  -4.800
  309    HZ2  LYS  41           HZ2      LYS  41 -45.878  -7.294  -5.867
  310    HZ3  LYS  41           HZ3      LYS  41 -44.490  -6.341  -5.652
  311    H    VAL  42           HN       VAL  42 -41.573 -10.168 -12.454
  312    HA   VAL  42           HA       VAL  42 -40.757  -7.652 -13.385
  313    HB   VAL  42           HB       VAL  42 -41.473  -8.698 -15.623
  314   HG11  VAL  42          HG11      VAL  42 -39.418  -9.807 -13.731
  315   HG12  VAL  42          HG12      VAL  42 -39.196  -8.953 -15.250
  316   HG13  VAL  42          HG13      VAL  42 -39.678 -10.636 -15.266
  317   HG21  VAL  42          HG21      VAL  42 -41.963 -11.046 -15.588
  318   HG22  VAL  42          HG22      VAL  42 -43.147 -10.211 -14.573
  319   HG23  VAL  42          HG23      VAL  42 -41.819 -11.110 -13.841
  320    H    GLU  43           HN       GLU  43 -41.882  -6.022 -14.303
  321    HA   GLU  43           HA       GLU  43 -44.812  -6.073 -13.921
  322    HB2  GLU  43           HB2      GLU  43 -42.836  -3.785 -13.932
  323    HB3  GLU  43           HB1      GLU  43 -44.588  -3.585 -13.880
  324    HG2  GLU  43           HG2      GLU  43 -44.673  -4.928 -11.809
  325    HG3  GLU  43           HG1      GLU  43 -42.925  -5.110 -11.857
  326    H    GLY  44           HN       GLY  44 -43.906  -7.303 -16.207
  327    HA2  GLY  44           HA2      GLY  44 -45.072  -5.596 -18.237
  328    HA3  GLY  44           HA1      GLY  44 -43.361  -5.929 -18.485
  329    H    GLY  45           HN       GLY  45 -42.723  -7.906 -19.230
  330    HA2  GLY  45           HA2      GLY  45 -44.772 -10.007 -19.589
  331    HA3  GLY  45           HA1      GLY  45 -43.806  -9.442 -20.949
  332    H    THR  46           HN       THR  46 -42.579 -11.196 -21.403
  333    HA   THR  46           HA       THR  46 -41.348 -12.786 -19.340
  334    HB   THR  46           HB       THR  46 -40.962 -12.814 -22.337
  335    HG1  THR  46           HG1      THR  46 -43.052 -13.343 -21.695
  336   HG21  THR  46          HG21      THR  46 -39.983 -14.591 -20.106
  337   HG22  THR  46          HG22      THR  46 -39.067 -13.904 -21.446
  338   HG23  THR  46          HG23      THR  46 -40.205 -15.217 -21.740
  339    H    TRP  47           HN       TRP  47 -38.974 -13.247 -19.438
  340    HA   TRP  47           HA       TRP  47 -37.246 -11.100 -20.325
  341    HB2  TRP  47           HB2      TRP  47 -38.078 -11.444 -17.482
  342    HB3  TRP  47           HB1      TRP  47 -36.385 -11.067 -17.768
  343    HD1  TRP  47           HD1      TRP  47 -39.721  -9.509 -17.490
  344    HE1  TRP  47           HE1      TRP  47 -39.578  -7.001 -18.106
  345    HE3  TRP  47           HE3      TRP  47 -35.100  -9.394 -19.639
  346    HZ2  TRP  47           HZ2      TRP  47 -37.753  -5.204 -19.382
  347    HZ3  TRP  47           HZ3      TRP  47 -34.180  -7.277 -20.543
  348    HH2  TRP  47           HH2      TRP  47 -35.501  -5.187 -20.420
  349    H    ALA  48           HN       ALA  48 -35.038 -11.585 -20.050
  350    HA   ALA  48           HA       ALA  48 -34.433 -14.473 -19.633
  351    HB1  ALA  48           HB1      ALA  48 -33.321 -12.456 -21.592
  352    HB2  ALA  48           HB2      ALA  48 -34.062 -14.018 -21.930
  353    HB3  ALA  48           HB3      ALA  48 -32.467 -13.939 -21.193
  354    H    VAL  49           HN       VAL  49 -33.269 -14.769 -17.854
  355    HA   VAL  49           HA       VAL  49 -31.482 -12.589 -16.892
  356    HB   VAL  49           HB       VAL  49 -31.856 -13.727 -14.623
  357   HG11  VAL  49          HG11      VAL  49 -33.920 -12.503 -14.231
  358   HG12  VAL  49          HG12      VAL  49 -34.287 -12.495 -15.957
  359   HG13  VAL  49          HG13      VAL  49 -32.918 -11.571 -15.342
  360   HG21  VAL  49          HG21      VAL  49 -33.939 -15.038 -14.445
  361   HG22  VAL  49          HG22      VAL  49 -32.794 -15.827 -15.525
  362   HG23  VAL  49          HG23      VAL  49 -34.161 -14.935 -16.188
  363    H    TYR  50           HN       TYR  50 -29.407 -13.036 -16.622
  364    HA   TYR  50           HA       TYR  50 -28.478 -15.835 -16.947
  365    HB2  TYR  50           HB2      TYR  50 -27.069 -13.191 -17.400
  366    HB3  TYR  50           HB1      TYR  50 -26.306 -14.773 -17.552
  367    HD1  TYR  50           HD1      TYR  50 -29.233 -12.800 -18.776
  368    HD2  TYR  50           HD2      TYR  50 -26.407 -15.924 -19.614
  369    HE1  TYR  50           HE1      TYR  50 -30.125 -12.986 -21.080
  370    HE2  TYR  50           HE2      TYR  50 -27.300 -16.112 -21.923
  371    HH   TYR  50           HH       TYR  50 -29.162 -15.575 -23.220
  372    H    GLU  51           HN       GLU  51 -28.148 -16.752 -15.016
  373    HA   GLU  51           HA       GLU  51 -27.948 -15.729 -12.541
  374    HB2  GLU  51           HB2      GLU  51 -27.824 -18.146 -13.108
  375    HB3  GLU  51           HB1      GLU  51 -26.131 -17.933 -13.550
  376    HG2  GLU  51           HG2      GLU  51 -25.677 -17.095 -11.240
  377    HG3  GLU  51           HG1      GLU  51 -27.357 -17.429 -10.820
  378    H    ARG  52           HN       ARG  52 -25.400 -15.668 -14.969
  379    HA   ARG  52           HA       ARG  52 -23.688 -14.176 -13.071
  380    HB2  ARG  52           HB2      ARG  52 -22.880 -15.837 -15.468
  381    HB3  ARG  52           HB1      ARG  52 -21.773 -14.932 -14.433
  382    HG2  ARG  52           HG2      ARG  52 -22.399 -16.265 -12.505
  383    HG3  ARG  52           HG1      ARG  52 -23.643 -17.099 -13.436
  384    HD2  ARG  52           HD2      ARG  52 -21.726 -17.812 -15.010
  385    HD3  ARG  52           HD1      ARG  52 -20.644 -17.294 -13.718
  386    HE   ARG  52           HE       ARG  52 -22.636 -19.031 -12.680
  387   HH11  ARG  52          HH21      ARG  52 -19.809 -18.939 -14.664
  388   HH12  ARG  52          HH22      ARG  52 -19.335 -20.568 -14.311
  389   HH21  ARG  52          HH11      ARG  52 -22.027 -21.167 -12.206
  390   HH22  ARG  52          HH12      ARG  52 -20.594 -21.830 -12.915
  391    HA   PRO  53           HA       PRO  53 -24.087 -10.721 -15.823
  392    HB2  PRO  53           HB2      PRO  53 -21.759  -9.377 -15.282
  393    HB3  PRO  53           HB1      PRO  53 -23.123  -9.420 -14.150
  394    HG2  PRO  53           HG2      PRO  53 -20.637 -11.068 -14.164
  395    HG3  PRO  53           HG1      PRO  53 -21.449 -10.271 -12.802
  396    HD2  PRO  53           HD2      PRO  53 -21.745 -12.922 -13.285
  397    HD3  PRO  53           HD1      PRO  53 -23.070 -11.945 -12.616
  398    H    ASN  54           HN       ASN  54 -23.279  -9.841 -17.757
  399    HA   ASN  54           HA       ASN  54 -21.986  -9.692 -19.646
  400    HB2  ASN  54           HB2      ASN  54 -20.375 -12.104 -18.834
  401    HB3  ASN  54           HB1      ASN  54 -19.927 -10.777 -19.898
  402   HD21  ASN  54          HD21      ASN  54 -19.446 -11.924 -16.780
  403   HD22  ASN  54          HD22      ASN  54 -19.010 -10.464 -16.032
  404    H    PHE  55           HN       PHE  55 -23.929 -12.140 -18.565
  405    HA   PHE  55           HA       PHE  55 -25.437 -13.392 -19.757
  406    HB2  PHE  55           HB2      PHE  55 -23.786 -13.155 -22.271
  407    HB3  PHE  55           HB1      PHE  55 -25.508 -13.474 -22.106
  408    HD1  PHE  55           HD2      PHE  55 -26.664 -11.570 -20.449
  409    HD2  PHE  55           HD1      PHE  55 -23.347 -11.004 -23.120
  410    HE1  PHE  55           HE2      PHE  55 -27.171  -9.152 -20.559
  411    HE2  PHE  55           HE1      PHE  55 -23.859  -8.579 -23.232
  412    HZ   PHE  55           HZ       PHE  55 -25.778  -7.656 -21.952
  413    H    ALA  56           HN       ALA  56 -23.975 -14.698 -18.145
  414    HA   ALA  56           HA       ALA  56 -23.272 -17.165 -19.579
  415    HB1  ALA  56           HB1      ALA  56 -21.394 -15.653 -17.757
  416    HB2  ALA  56           HB2      ALA  56 -21.107 -16.177 -19.418
  417    HB3  ALA  56           HB3      ALA  56 -21.202 -17.367 -18.119
  418    H    GLY  57           HN       GLY  57 -22.689 -18.912 -17.792
  419    HA2  GLY  57           HA2      GLY  57 -23.215 -20.005 -15.811
  420    HA3  GLY  57           HA1      GLY  57 -23.990 -18.534 -15.238
  421    H    TYR  58           HN       TYR  58 -25.600 -20.099 -14.446
  422    HA   TYR  58           HA       TYR  58 -27.217 -21.654 -16.140
  423    HB2  TYR  58           HB2      TYR  58 -27.692 -20.376 -13.454
  424    HB3  TYR  58           HB1      TYR  58 -28.959 -21.289 -14.263
  425    HD1  TYR  58           HD1      TYR  58 -25.274 -21.630 -13.572
  426    HD2  TYR  58           HD2      TYR  58 -29.122 -23.534 -13.659
  427    HE1  TYR  58           HE1      TYR  58 -24.248 -23.737 -12.769
  428    HE2  TYR  58           HE2      TYR  58 -28.093 -25.646 -12.858
  429    HH   TYR  58           HH       TYR  58 -25.769 -26.119 -11.398
  430    H    MET  59           HN       MET  59 -28.950 -21.208 -17.379
  431    HA   MET  59           HA       MET  59 -29.846 -18.388 -17.546
  432    HB2  MET  59           HB2      MET  59 -28.401 -19.164 -19.470
  433    HB3  MET  59           HB1      MET  59 -29.646 -20.357 -19.842
  434    HG2  MET  59           HG2      MET  59 -30.030 -18.406 -21.224
  435    HG3  MET  59           HG1      MET  59 -31.307 -18.477 -20.012
  436    HE1  MET  59           HE1      MET  59 -32.020 -16.374 -18.837
  437    HE2  MET  59           HE2      MET  59 -31.871 -16.085 -20.567
  438    HE3  MET  59           HE3      MET  59 -31.310 -14.866 -19.423
  439    H    TYR  60           HN       TYR  60 -31.906 -18.092 -17.204
  440    HA   TYR  60           HA       TYR  60 -33.880 -20.127 -17.939
  441    HB2  TYR  60           HB2      TYR  60 -35.040 -19.487 -15.662
  442    HB3  TYR  60           HB1      TYR  60 -33.815 -20.747 -15.694
  443    HD1  TYR  60           HD2      TYR  60 -31.380 -20.053 -15.288
  444    HD2  TYR  60           HD1      TYR  60 -34.747 -17.609 -14.237
  445    HE1  TYR  60           HE2      TYR  60 -29.967 -18.801 -13.707
  446    HE2  TYR  60           HE1      TYR  60 -33.329 -16.358 -12.639
  447    HH   TYR  60           HH       TYR  60 -31.073 -16.960 -11.307
  448    H    ILE  61           HN       ILE  61 -35.988 -19.258 -18.262
  449    HA   ILE  61           HA       ILE  61 -35.929 -16.373 -18.921
  450    HB   ILE  61           HB       ILE  61 -37.631 -18.665 -19.899
  451   HG12  ILE  61          HG12      ILE  61 -36.554 -18.006 -22.092
  452   HG13  ILE  61          HG11      ILE  61 -35.507 -16.922 -21.176
  453   HG21  ILE  61          HG21      ILE  61 -39.106 -16.807 -19.880
  454   HG22  ILE  61          HG22      ILE  61 -38.486 -16.883 -21.530
  455   HG23  ILE  61          HG23      ILE  61 -37.834 -15.700 -20.398
  456   HD11  ILE  61          HD11      ILE  61 -34.264 -18.641 -20.301
  457   HD12  ILE  61          HD12      ILE  61 -34.822 -19.473 -21.748
  458   HD13  ILE  61          HD13      ILE  61 -35.634 -19.750 -20.210
  459    H    LEU  62           HN       LEU  62 -36.595 -15.396 -16.999
  460    HA   LEU  62           HA       LEU  62 -38.675 -16.459 -15.390
  461    HB2  LEU  62           HB2      LEU  62 -36.800 -14.271 -15.312
  462    HB3  LEU  62           HB1      LEU  62 -38.392 -13.656 -14.880
  463    HG   LEU  62           HG       LEU  62 -37.197 -16.157 -13.625
  464   HD11  LEU  62          HD11      LEU  62 -35.665 -14.415 -13.025
  465   HD12  LEU  62          HD12      LEU  62 -36.752 -14.593 -11.651
  466   HD13  LEU  62          HD13      LEU  62 -36.969 -13.253 -12.776
  467   HD21  LEU  62          HD21      LEU  62 -39.548 -14.343 -13.022
  468   HD22  LEU  62          HD22      LEU  62 -38.844 -15.377 -11.780
  469   HD23  LEU  62          HD23      LEU  62 -39.530 -16.096 -13.238
  470    HA   PRO  63           HA       PRO  63 -41.780 -14.724 -18.235
  471    HB2  PRO  63           HB2      PRO  63 -43.903 -16.246 -17.554
  472    HB3  PRO  63           HB1      PRO  63 -42.550 -16.886 -18.510
  473    HG2  PRO  63           HG2      PRO  63 -43.164 -17.259 -15.615
  474    HG3  PRO  63           HG1      PRO  63 -42.483 -18.406 -16.781
  475    HD2  PRO  63           HD2      PRO  63 -40.983 -16.926 -14.918
  476    HD3  PRO  63           HD1      PRO  63 -40.335 -17.719 -16.358
  477    H    GLN  64           HN       GLN  64 -43.863 -13.580 -18.051
  478    HA   GLN  64           HA       GLN  64 -43.945 -11.674 -16.066
  479    HB2  GLN  64           HB2      GLN  64 -45.269 -11.912 -18.327
  480    HB3  GLN  64           HB1      GLN  64 -46.528 -12.557 -17.277
  481    HG2  GLN  64           HG2      GLN  64 -45.169  -9.851 -17.020
  482    HG3  GLN  64           HG1      GLN  64 -46.841 -10.153 -17.500
  483   HE21  GLN  64          HE21      GLN  64 -44.906  -9.416 -14.829
  484   HE22  GLN  64          HE22      GLN  64 -45.987  -9.880 -13.606
  485    H    GLY  65           HN       GLY  65 -44.405 -11.740 -13.934
  486    HA2  GLY  65           HA2      GLY  65 -46.553 -12.884 -12.678
  487    HA3  GLY  65           HA1      GLY  65 -45.351 -14.165 -12.742
  488    H    GLU  66           HN       GLU  66 -45.774 -13.763 -10.310
  489    HA   GLU  66           HA       GLU  66 -43.907 -11.716  -9.286
  490    HB2  GLU  66           HB2      GLU  66 -46.292 -13.051  -7.995
  491    HB3  GLU  66           HB1      GLU  66 -45.146 -12.014  -7.135
  492    HG2  GLU  66           HG2      GLU  66 -45.638 -10.163  -8.640
  493    HG3  GLU  66           HG1      GLU  66 -46.710 -11.190  -9.587
  494    H    TYR  67           HN       TYR  67 -42.590 -12.309  -7.507
  495    HA   TYR  67           HA       TYR  67 -42.204 -15.150  -6.979
  496    HB2  TYR  67           HB2      TYR  67 -39.878 -13.505  -7.999
  497    HB3  TYR  67           HB1      TYR  67 -39.886 -15.195  -7.584
  498    HD1  TYR  67           HD1      TYR  67 -41.624 -12.818  -9.958
  499    HD2  TYR  67           HD2      TYR  67 -40.271 -16.826  -9.223
  500    HE1  TYR  67           HE1      TYR  67 -42.335 -13.452 -12.215
  501    HE2  TYR  67           HE2      TYR  67 -41.007 -17.467 -11.498
  502    HH   TYR  67           HH       TYR  67 -41.988 -15.105 -13.844
  503    HA   PRO  68           HA       PRO  68 -41.921 -12.369  -3.253
  504    HB2  PRO  68           HB2      PRO  68 -42.781 -14.937  -2.004
  505    HB3  PRO  68           HB1      PRO  68 -43.407 -13.294  -1.755
  506    HG2  PRO  68           HG2      PRO  68 -44.775 -15.091  -3.166
  507    HG3  PRO  68           HG1      PRO  68 -44.752 -13.379  -3.628
  508    HD2  PRO  68           HD2      PRO  68 -43.287 -15.684  -4.875
  509    HD3  PRO  68           HD1      PRO  68 -44.011 -14.257  -5.649
  510    H    GLU  69           HN       GLU  69 -40.398 -15.236  -4.257
  511    HA   GLU  69           HA       GLU  69 -38.120 -14.640  -2.520
  512    HB2  GLU  69           HB2      GLU  69 -39.610 -17.279  -2.429
  513    HB3  GLU  69           HB1      GLU  69 -37.977 -17.051  -1.800
  514    HG2  GLU  69           HG2      GLU  69 -38.847 -15.229  -0.326
  515    HG3  GLU  69           HG1      GLU  69 -40.469 -15.579  -0.896
  516    H    TYR  70           HN       TYR  70 -36.227 -15.966  -3.119
  517    HA   TYR  70           HA       TYR  70 -35.887 -16.005  -5.926
  518    HB2  TYR  70           HB2      TYR  70 -33.681 -17.125  -5.368
  519    HB3  TYR  70           HB1      TYR  70 -33.953 -15.574  -4.572
  520    HD1  TYR  70           HD2      TYR  70 -34.896 -15.581  -2.187
  521    HD2  TYR  70           HD1      TYR  70 -33.291 -19.089  -4.092
  522    HE1  TYR  70           HE2      TYR  70 -34.662 -16.672   0.021
  523    HE2  TYR  70           HE1      TYR  70 -33.051 -20.174  -1.872
  524    HH   TYR  70           HH       TYR  70 -34.320 -19.850   0.472
  525    H    GLN  71           HN       GLN  71 -36.102 -18.646  -3.534
  526    HA   GLN  71           HA       GLN  71 -35.817 -20.883  -5.068
  527    HB2  GLN  71           HB2      GLN  71 -38.000 -20.570  -3.006
  528    HB3  GLN  71           HB1      GLN  71 -37.235 -22.074  -3.533
  529    HG2  GLN  71           HG2      GLN  71 -35.029 -21.104  -2.764
  530    HG3  GLN  71           HG1      GLN  71 -35.951 -19.789  -2.036
  531   HE21  GLN  71          HE21      GLN  71 -37.914 -20.714  -0.631
  532   HE22  GLN  71          HE22      GLN  71 -37.499 -21.998   0.405
  533    H    ARG  72           HN       ARG  72 -38.129 -18.529  -5.592
  534    HA   ARG  72           HA       ARG  72 -40.228 -20.142  -6.693
  535    HB2  ARG  72           HB2      ARG  72 -39.559 -17.244  -7.033
  536    HB3  ARG  72           HB1      ARG  72 -41.098 -17.983  -7.447
  537    HG2  ARG  72           HG2      ARG  72 -39.942 -18.041  -4.649
  538    HG3  ARG  72           HG1      ARG  72 -41.009 -16.753  -5.212
  539    HD2  ARG  72           HD2      ARG  72 -42.681 -18.539  -5.845
  540    HD3  ARG  72           HD1      ARG  72 -41.650 -19.704  -5.021
  541    HE   ARG  72           HE       ARG  72 -42.217 -17.528  -3.296
  542   HH11  ARG  72          HH21      ARG  72 -43.577 -20.309  -4.818
  543   HH12  ARG  72          HH22      ARG  72 -44.753 -20.593  -3.578
  544   HH21  ARG  72          HH11      ARG  72 -43.753 -17.878  -1.658
  545   HH22  ARG  72          HH12      ARG  72 -44.852 -19.210  -1.781
  546    H    TRP  73           HN       TRP  73 -37.138 -19.612  -7.751
  547    HA   TRP  73           HA       TRP  73 -37.933 -19.823 -10.622
  548    HB2  TRP  73           HB2      TRP  73 -35.839 -18.651 -11.228
  549    HB3  TRP  73           HB1      TRP  73 -36.902 -17.636 -10.259
  550    HD1  TRP  73           HD1      TRP  73 -35.306 -20.116  -8.065
  551    HE1  TRP  73           HE1      TRP  73 -33.403 -19.128  -6.750
  552    HE3  TRP  73           HE3      TRP  73 -34.732 -15.803 -10.667
  553    HZ2  TRP  73           HZ2      TRP  73 -31.796 -16.771  -6.786
  554    HZ3  TRP  73           HZ3      TRP  73 -32.971 -14.185 -10.004
  555    HH2  TRP  73           HH2      TRP  73 -31.502 -14.670  -8.071
  556    H    MET  74           HN       MET  74 -37.275 -21.803  -8.435
  557    HA   MET  74           HA       MET  74 -36.523 -24.004  -8.591
  558    HB2  MET  74           HB2      MET  74 -34.529 -23.065 -10.677
  559    HB3  MET  74           HB1      MET  74 -34.814 -24.724 -10.164
  560    HG2  MET  74           HG2      MET  74 -37.173 -23.149 -11.131
  561    HG3  MET  74           HG1      MET  74 -36.020 -23.751 -12.324
  562    HE1  MET  74           HE1      MET  74 -39.075 -24.295 -11.812
  563    HE2  MET  74           HE2      MET  74 -39.315 -26.024 -12.039
  564    HE3  MET  74           HE3      MET  74 -38.352 -25.117 -13.200
  565    H    GLY  75           HN       GLY  75 -35.460 -21.544  -7.164
  566    HA2  GLY  75           HA2      GLY  75 -33.617 -20.867  -5.853
  567    HA3  GLY  75           HA1      GLY  75 -33.928 -22.459  -5.169
  568    H    LEU  76           HN       LEU  76 -32.318 -21.081  -8.065
  569    HA   LEU  76           HA       LEU  76 -30.290 -23.180  -8.033
  570    HB2  LEU  76           HB2      LEU  76 -30.538 -20.800  -9.865
  571    HB3  LEU  76           HB1      LEU  76 -29.638 -22.288 -10.164
  572    HG   LEU  76           HG       LEU  76 -32.641 -22.153  -9.803
  573   HD11  LEU  76          HD11      LEU  76 -32.083 -21.023 -11.854
  574   HD12  LEU  76          HD12      LEU  76 -32.615 -22.645 -12.297
  575   HD13  LEU  76          HD13      LEU  76 -30.895 -22.255 -12.274
  576   HD21  LEU  76          HD21      LEU  76 -31.866 -24.353  -9.246
  577   HD22  LEU  76          HD22      LEU  76 -30.685 -24.345 -10.548
  578   HD23  LEU  76          HD23      LEU  76 -32.404 -24.465 -10.918
  579    H    ASN  77           HN       ASN  77 -30.560 -20.835  -6.077
  580    HA   ASN  77           HA       ASN  77 -28.775 -20.096  -4.694
  581    HB2  ASN  77           HB2      ASN  77 -27.052 -21.059  -6.295
  582    HB3  ASN  77           HB1      ASN  77 -27.182 -19.556  -7.196
  583   HD21  ASN  77          HD21      ASN  77 -25.099 -18.769  -6.760
  584   HD22  ASN  77          HD22      ASN  77 -24.579 -18.353  -5.194
  585    H    ASP  78           HN       ASP  78 -28.182 -17.900  -4.202
  586    HA   ASP  78           HA       ASP  78 -30.034 -15.992  -5.395
  587    HB2  ASP  78           HB2      ASP  78 -29.376 -14.526  -3.553
  588    HB3  ASP  78           HB1      ASP  78 -29.833 -16.115  -2.944
  589    H    ARG  79           HN       ARG  79 -28.778 -16.057  -7.452
  590    HA   ARG  79           HA       ARG  79 -26.863 -13.832  -7.455
  591    HB2  ARG  79           HB2      ARG  79 -25.596 -16.050  -7.353
  592    HB3  ARG  79           HB1      ARG  79 -26.248 -16.383  -8.956
  593    HG2  ARG  79           HG2      ARG  79 -25.249 -14.299  -9.802
  594    HG3  ARG  79           HG1      ARG  79 -24.606 -13.946  -8.204
  595    HD2  ARG  79           HD2      ARG  79 -23.326 -16.095  -8.293
  596    HD3  ARG  79           HD1      ARG  79 -23.894 -16.324  -9.943
  597    HE   ARG  79           HE       ARG  79 -22.444 -14.621 -10.650
  598   HH11  ARG  79          HH21      ARG  79 -22.610 -14.847  -7.197
  599   HH12  ARG  79          HH22      ARG  79 -21.238 -13.823  -6.929
  600   HH21  ARG  79          HH11      ARG  79 -20.651 -13.278 -10.303
  601   HH22  ARG  79          HH12      ARG  79 -20.131 -12.934  -8.687
  602    H    LEU  80           HN       LEU  80 -27.657 -12.417  -8.914
  603    HA   LEU  80           HA       LEU  80 -28.639 -13.416 -11.486
  604    HB2  LEU  80           HB2      LEU  80 -30.500 -13.056  -9.574
  605    HB3  LEU  80           HB1      LEU  80 -30.357 -11.383 -10.105
  606    HG   LEU  80           HG       LEU  80 -32.138 -12.451 -11.347
  607   HD11  LEU  80          HD11      LEU  80 -30.390 -10.883 -12.431
  608   HD12  LEU  80          HD12      LEU  80 -31.509 -11.745 -13.481
  609   HD13  LEU  80          HD13      LEU  80 -29.856 -12.322 -13.298
  610   HD21  LEU  80          HD21      LEU  80 -30.714 -14.779 -11.114
  611   HD22  LEU  80          HD22      LEU  80 -30.384 -14.367 -12.798
  612   HD23  LEU  80          HD23      LEU  80 -32.044 -14.537 -12.240
  613    H    SER  81           HN       SER  81 -27.979 -12.177 -13.101
  614    HA   SER  81           HA       SER  81 -26.852  -9.505 -12.496
  615    HB2  SER  81           HB2      SER  81 -25.289  -9.880 -14.123
  616    HB3  SER  81           HB1      SER  81 -25.529 -11.538 -13.592
  617    HG   SER  81           HG       SER  81 -26.310 -10.250 -15.941
  618    H    SER  82           HN       SER  82 -26.810  -8.478 -15.156
  619    HA   SER  82           HA       SER  82 -29.246  -7.288 -15.383
  620    HB2  SER  82           HB2      SER  82 -27.183  -7.965 -17.478
  621    HB3  SER  82           HB1      SER  82 -28.558  -6.903 -17.774
  622    HG   SER  82           HG       SER  82 -26.536  -6.601 -15.803
  623    H    CYS  83           HN       CYS  83 -30.383  -7.523 -17.748
  624    HA   CYS  83           HA       CYS  83 -31.017 -10.303 -18.329
  625    HB2  CYS  83           HB2      CYS  83 -33.310 -10.183 -17.700
  626    HB3  CYS  83           HB1      CYS  83 -32.432  -9.470 -16.346
  627    HG   CYS  83           HG       CYS  83 -32.972  -7.088 -17.502
  628    H    ARG  84           HN       ARG  84 -32.295 -10.506 -20.298
  629    HA   ARG  84           HA       ARG  84 -32.320  -8.045 -21.964
  630    HB2  ARG  84           HB2      ARG  84 -31.852 -10.923 -22.794
  631    HB3  ARG  84           HB1      ARG  84 -31.939  -9.537 -23.885
  632    HG2  ARG  84           HG2      ARG  84 -30.018  -8.505 -22.763
  633    HG3  ARG  84           HG1      ARG  84 -29.946  -9.848 -21.624
  634    HD2  ARG  84           HD2      ARG  84 -28.299 -10.240 -23.349
  635    HD3  ARG  84           HD1      ARG  84 -29.609 -11.399 -23.568
  636    HE   ARG  84           HE       ARG  84 -30.074  -9.043 -25.105
  637   HH11  ARG  84          HH21      ARG  84 -28.178 -11.929 -24.926
  638   HH12  ARG  84          HH22      ARG  84 -27.938 -12.042 -26.637
  639   HH21  ARG  84          HH11      ARG  84 -29.764  -9.182 -27.347
  640   HH22  ARG  84          HH12      ARG  84 -28.835 -10.485 -28.010
  641    H    ALA  85           HN       ALA  85 -34.268  -7.478 -22.745
  642    HA   ALA  85           HA       ALA  85 -36.644  -8.748 -21.979
  643    HB1  ALA  85           HB1      ALA  85 -36.319  -6.350 -22.787
  644    HB2  ALA  85           HB2      ALA  85 -37.766  -7.179 -23.359
  645    HB3  ALA  85           HB3      ALA  85 -36.371  -7.004 -24.424
  646    H    VAL  86           HN       VAL  86 -37.845 -10.344 -22.807
  647    HA   VAL  86           HA       VAL  86 -37.149 -11.375 -25.518
  648    HB   VAL  86           HB       VAL  86 -37.577 -12.965 -22.980
  649   HG11  VAL  86          HG11      VAL  86 -37.209 -14.940 -24.580
  650   HG12  VAL  86          HG12      VAL  86 -37.581 -13.806 -25.878
  651   HG13  VAL  86          HG13      VAL  86 -38.790 -14.159 -24.646
  652   HG21  VAL  86          HG21      VAL  86 -35.297 -12.341 -23.139
  653   HG22  VAL  86          HG22      VAL  86 -35.271 -12.542 -24.890
  654   HG23  VAL  86          HG23      VAL  86 -35.348 -13.956 -23.845
  655    H    HIS  87           HN       HIS  87 -38.818 -11.767 -26.823
  656    HA   HIS  87           HA       HIS  87 -41.547 -11.379 -25.749
  657    HB2  HIS  87           HB2      HIS  87 -40.604 -11.391 -28.629
  658    HB3  HIS  87           HB1      HIS  87 -42.199 -10.919 -28.038
  659    HD2  HIS  87           HD2      HIS  87 -41.960  -8.602 -26.114
  660    HE1  HIS  87           HE1      HIS  87 -38.548  -7.143 -28.123
  661    HE2  HIS  87           HE2      HIS  87 -40.369  -6.561 -26.450
  662    H    LEU  88           HN       LEU  88 -43.253 -12.757 -26.664
  663    HA   LEU  88           HA       LEU  88 -42.386 -15.549 -26.715
  664    HB2  LEU  88           HB2      LEU  88 -45.181 -15.544 -26.860
  665    HB3  LEU  88           HB1      LEU  88 -44.228 -15.679 -25.381
  666    HG   LEU  88           HG       LEU  88 -44.978 -13.000 -26.574
  667   HD11  LEU  88          HD11      LEU  88 -47.077 -14.057 -26.169
  668   HD12  LEU  88          HD12      LEU  88 -46.789 -12.998 -24.788
  669   HD13  LEU  88          HD13      LEU  88 -46.521 -14.735 -24.638
  670   HD21  LEU  88          HD21      LEU  88 -43.207 -13.708 -24.509
  671   HD22  LEU  88          HD22      LEU  88 -44.672 -13.229 -23.653
  672   HD23  LEU  88          HD23      LEU  88 -43.906 -12.113 -24.779
  673    HA   PRO  89           HA       PRO  89 -43.038 -16.133 -31.032
  674    HB2  PRO  89           HB2      PRO  89 -44.064 -18.669 -31.151
  675    HB3  PRO  89           HB1      PRO  89 -42.368 -18.331 -30.738
  676    HG2  PRO  89           HG2      PRO  89 -44.674 -18.957 -28.941
  677    HG3  PRO  89           HG1      PRO  89 -42.996 -19.524 -28.865
  678    HD2  PRO  89           HD2      PRO  89 -43.927 -17.494 -27.276
  679    HD3  PRO  89           HD1      PRO  89 -42.237 -17.596 -27.819
  680    H    SER  90           HN       SER  90 -44.565 -16.038 -32.664
  681    HA   SER  90           HA       SER  90 -47.319 -16.581 -32.352
  682    HB2  SER  90           HB2      SER  90 -48.291 -14.464 -32.072
  683    HB3  SER  90           HB1      SER  90 -46.962 -14.458 -30.915
  684    HG   SER  90           HG       SER  90 -46.446 -12.695 -31.964
  685    H    GLY  91           HN       GLY  91 -44.621 -15.633 -34.128
  686    HA2  GLY  91           HA2      GLY  91 -45.853 -14.549 -36.423
  687    HA3  GLY  91           HA1      GLY  91 -44.248 -15.276 -36.375
  688    H    GLY  92           HN       GLY  92 -46.539 -17.392 -35.168
  689    HA2  GLY  92           HA2      GLY  92 -47.681 -18.449 -37.535
  690    HA3  GLY  92           HA1      GLY  92 -46.215 -19.337 -37.132
  691    H    GLN  93           HN       GLN  93 -46.086 -19.955 -34.821
  692    HA   GLN  93           HA       GLN  93 -48.206 -20.262 -33.065
  693    HB2  GLN  93           HB2      GLN  93 -48.812 -22.735 -33.652
  694    HB3  GLN  93           HB1      GLN  93 -49.573 -21.433 -34.561
  695    HG2  GLN  93           HG2      GLN  93 -48.410 -21.912 -36.504
  696    HG3  GLN  93           HG1      GLN  93 -46.960 -22.403 -35.645
  697   HE21  GLN  93          HE21      GLN  93 -47.306 -24.593 -34.341
  698   HE22  GLN  93          HE22      GLN  93 -48.178 -25.799 -35.165
  699    H    TYR  94           HN       TYR  94 -47.043 -23.364 -33.858
  700    HA   TYR  94           HA       TYR  94 -44.612 -23.187 -32.282
  701    HB2  TYR  94           HB2      TYR  94 -46.692 -23.353 -30.714
  702    HB3  TYR  94           HB1      TYR  94 -46.766 -25.029 -31.247
  703    HD1  TYR  94           HD1      TYR  94 -44.278 -22.515 -30.076
  704    HD2  TYR  94           HD2      TYR  94 -45.540 -26.621 -30.001
  705    HE1  TYR  94           HE1      TYR  94 -42.479 -23.032 -28.467
  706    HE2  TYR  94           HE2      TYR  94 -43.731 -27.140 -28.380
  707    HH   TYR  94           HH       TYR  94 -42.302 -26.066 -26.809
  708    H    LYS  95           HN       LYS  95 -43.243 -24.385 -33.429
  709    HA   LYS  95           HA       LYS  95 -43.938 -27.123 -34.127
  710    HB2  LYS  95           HB2      LYS  95 -44.787 -25.804 -36.049
  711    HB3  LYS  95           HB1      LYS  95 -43.181 -25.126 -36.280
  712    HG2  LYS  95           HG2      LYS  95 -43.439 -26.965 -37.832
  713    HG3  LYS  95           HG1      LYS  95 -42.311 -27.477 -36.581
  714    HD2  LYS  95           HD2      LYS  95 -43.837 -28.930 -35.581
  715    HD3  LYS  95           HD1      LYS  95 -45.237 -28.069 -36.235
  716    HE2  LYS  95           HE2      LYS  95 -43.275 -29.704 -37.882
  717    HE3  LYS  95           HE1      LYS  95 -44.888 -30.235 -37.393
  718    HZ1  LYS  95           HZ1      LYS  95 -45.052 -27.686 -38.569
  719    HZ2  LYS  95           HZ2      LYS  95 -45.755 -29.143 -39.088
  720    HZ3  LYS  95           HZ3      LYS  95 -44.198 -28.715 -39.613
  721    H    ILE  96           HN       ILE  96 -42.263 -28.407 -33.930
  722    HA   ILE  96           HA       ILE  96 -39.514 -27.325 -34.142
  723    HB   ILE  96           HB       ILE  96 -39.791 -27.266 -31.810
  724   HG12  ILE  96          HG12      ILE  96 -38.835 -30.111 -32.151
  725   HG13  ILE  96          HG11      ILE  96 -37.862 -28.743 -32.680
  726   HG21  ILE  96          HG21      ILE  96 -42.000 -28.423 -31.792
  727   HG22  ILE  96          HG22      ILE  96 -40.933 -29.013 -30.519
  728   HG23  ILE  96          HG23      ILE  96 -41.161 -29.959 -31.988
  729   HD11  ILE  96          HD11      ILE  96 -38.031 -27.802 -30.353
  730   HD12  ILE  96          HD12      ILE  96 -37.180 -29.346 -30.426
  731   HD13  ILE  96          HD13      ILE  96 -38.850 -29.286 -29.869
  732    H    GLN  97           HN       GLN  97 -37.985 -28.747 -34.731
  733    HA   GLN  97           HA       GLN  97 -38.799 -31.506 -35.429
  734    HB2  GLN  97           HB2      GLN  97 -37.441 -29.407 -37.068
  735    HB3  GLN  97           HB1      GLN  97 -36.898 -31.073 -37.266
  736    HG2  GLN  97           HG2      GLN  97 -39.189 -31.790 -37.761
  737    HG3  GLN  97           HG1      GLN  97 -39.781 -30.154 -37.494
  738   HE21  GLN  97          HE21      GLN  97 -36.671 -30.438 -39.036
  739   HE22  GLN  97          HE22      GLN  97 -37.197 -30.075 -40.612
  740    H    ILE  98           HN       ILE  98 -37.561 -33.016 -34.562
  741    HA   ILE  98           HA       ILE  98 -34.960 -32.223 -33.359
  742    HB   ILE  98           HB       ILE  98 -36.681 -34.512 -32.376
  743   HG12  ILE  98          HG12      ILE  98 -36.833 -31.607 -31.501
  744   HG13  ILE  98          HG11      ILE  98 -38.101 -32.480 -32.363
  745   HG21  ILE  98          HG21      ILE  98 -34.316 -34.301 -31.652
  746   HG22  ILE  98          HG22      ILE  98 -35.433 -34.081 -30.303
  747   HG23  ILE  98          HG23      ILE  98 -34.671 -32.682 -31.054
  748   HD11  ILE  98          HD11      ILE  98 -37.283 -32.667 -29.513
  749   HD12  ILE  98          HD12      ILE  98 -37.743 -34.187 -30.286
  750   HD13  ILE  98          HD13      ILE  98 -38.877 -32.836 -30.238
  751    H    PHE  99           HN       PHE  99 -33.224 -33.345 -33.966
  752    HA   PHE  99           HA       PHE  99 -33.659 -35.784 -35.631
  753    HB2  PHE  99           HB2      PHE  99 -31.542 -33.631 -35.719
  754    HB3  PHE  99           HB1      PHE  99 -31.285 -35.209 -36.459
  755    HD1  PHE  99           HD1      PHE  99 -33.548 -32.248 -36.445
  756    HD2  PHE  99           HD2      PHE  99 -32.284 -35.776 -38.546
  757    HE1  PHE  99           HE1      PHE  99 -34.862 -31.538 -38.424
  758    HE2  PHE  99           HE2      PHE  99 -33.600 -35.064 -40.527
  759    HZ   PHE  99           HZ       PHE  99 -34.886 -32.945 -40.466
  760    H    GLU 100           HN       GLU 100 -33.059 -37.619 -34.797
  761    HA   GLU 100           HA       GLU 100 -31.937 -37.937 -32.261
  762    HB2  GLU 100           HB2      GLU 100 -33.208 -39.694 -33.497
  763    HB3  GLU 100           HB1      GLU 100 -31.811 -39.913 -34.554
  764    HG2  GLU 100           HG2      GLU 100 -30.424 -40.558 -32.647
  765    HG3  GLU 100           HG1      GLU 100 -31.756 -40.236 -31.539
  766    H    LYS 101           HN       LYS 101 -30.406 -37.191 -35.268
  767    HA   LYS 101           HA       LYS 101 -27.747 -37.580 -34.009
  768    HB2  LYS 101           HB2      LYS 101 -28.453 -38.074 -36.907
  769    HB3  LYS 101           HB1      LYS 101 -26.883 -38.321 -36.146
  770    HG2  LYS 101           HG2      LYS 101 -27.795 -40.055 -34.728
  771    HG3  LYS 101           HG1      LYS 101 -29.420 -39.758 -35.337
  772    HD2  LYS 101           HD2      LYS 101 -28.636 -40.346 -37.622
  773    HD3  LYS 101           HD1      LYS 101 -27.057 -40.761 -36.945
  774    HE2  LYS 101           HE2      LYS 101 -28.124 -42.451 -35.499
  775    HE3  LYS 101           HE1      LYS 101 -29.697 -42.034 -36.172
  776    HZ1  LYS 101           HZ1      LYS 101 -28.599 -42.556 -38.408
  777    HZ2  LYS 101           HZ2      LYS 101 -29.039 -43.859 -37.409
  778    HZ3  LYS 101           HZ3      LYS 101 -27.418 -43.360 -37.495
  779    H    GLY 102           HN       GLY 102 -26.277 -35.966 -34.394
  780    HA2  GLY 102           HA2      GLY 102 -27.198 -33.393 -34.955
  781    HA3  GLY 102           HA1      GLY 102 -25.508 -33.856 -34.967
  782    H    ASP 103           HN       ASP 103 -25.867 -32.037 -36.725
  783    HA   ASP 103           HA       ASP 103 -25.857 -31.446 -38.942
  784    HB2  ASP 103           HB2      ASP 103 -24.001 -33.187 -38.796
  785    HB3  ASP 103           HB1      ASP 103 -25.160 -34.334 -39.466
  786    H    PHE 104           HN       PHE 104 -28.351 -32.487 -37.777
  787    HA   PHE 104           HA       PHE 104 -30.469 -33.084 -38.426
  788    HB2  PHE 104           HB2      PHE 104 -29.656 -32.427 -41.251
  789    HB3  PHE 104           HB1      PHE 104 -31.221 -32.210 -40.464
  790    HD1  PHE 104           HD2      PHE 104 -31.170 -30.685 -38.293
  791    HD2  PHE 104           HD1      PHE 104 -28.255 -30.564 -41.444
  792    HE1  PHE 104           HE2      PHE 104 -30.521 -28.399 -37.604
  793    HE2  PHE 104           HE1      PHE 104 -27.601 -28.277 -40.755
  794    HZ   PHE 104           HZ       PHE 104 -28.735 -27.196 -38.836
  795    H    SER 105           HN       SER 105 -29.960 -35.331 -37.956
  796    HA   SER 105           HA       SER 105 -30.449 -37.008 -40.261
  797    HB2  SER 105           HB2      SER 105 -27.805 -37.023 -38.837
  798    HB3  SER 105           HB1      SER 105 -28.436 -38.521 -39.516
  799    HG   SER 105           HG       SER 105 -28.353 -37.644 -41.512
  800    H    GLY 106           HN       GLY 106 -30.783 -39.268 -39.624
  801    HA2  GLY 106           HA2      GLY 106 -31.420 -40.961 -38.147
  802    HA3  GLY 106           HA1      GLY 106 -31.239 -39.830 -36.813
  803    H    GLN 107           HN       GLN 107 -33.261 -40.613 -36.004
  804    HA   GLN 107           HA       GLN 107 -35.668 -40.414 -37.480
  805    HB2  GLN 107           HB2      GLN 107 -35.480 -41.896 -35.553
  806    HB3  GLN 107           HB1      GLN 107 -35.189 -40.519 -34.493
  807    HG2  GLN 107           HG2      GLN 107 -37.537 -41.319 -34.390
  808    HG3  GLN 107           HG1      GLN 107 -37.427 -39.651 -34.955
  809   HE21  GLN 107          HE21      GLN 107 -39.315 -39.654 -36.250
  810   HE22  GLN 107          HE22      GLN 107 -39.495 -40.618 -37.635
  811    H    MET 108           HN       MET 108 -37.156 -38.828 -37.662
  812    HA   MET 108           HA       MET 108 -36.493 -36.222 -36.438
  813    HB2  MET 108           HB2      MET 108 -36.169 -36.343 -38.926
  814    HB3  MET 108           HB1      MET 108 -37.905 -36.636 -39.063
  815    HG2  MET 108           HG2      MET 108 -38.364 -34.533 -37.874
  816    HG3  MET 108           HG1      MET 108 -36.632 -34.233 -37.721
  817    HE1  MET 108           HE1      MET 108 -39.739 -33.583 -39.673
  818    HE2  MET 108           HE2      MET 108 -39.384 -35.220 -40.224
  819    HE3  MET 108           HE3      MET 108 -39.332 -33.878 -41.369
  820    H    TYR 109           HN       TYR 109 -37.942 -35.536 -34.996
  821    HA   TYR 109           HA       TYR 109 -40.736 -36.492 -35.248
  822    HB2  TYR 109           HB2      TYR 109 -38.998 -35.957 -32.846
  823    HB3  TYR 109           HB1      TYR 109 -40.753 -35.952 -32.724
  824    HD1  TYR 109           HD2      TYR 109 -41.922 -38.041 -33.975
  825    HD2  TYR 109           HD1      TYR 109 -37.918 -37.981 -32.415
  826    HE1  TYR 109           HE2      TYR 109 -41.943 -40.513 -33.818
  827    HE2  TYR 109           HE1      TYR 109 -37.944 -40.448 -32.257
  828    HH   TYR 109           HH       TYR 109 -39.805 -42.369 -33.821
  829    H    GLU 110           HN       GLU 110 -42.290 -35.071 -35.393
  830    HA   GLU 110           HA       GLU 110 -41.729 -32.239 -34.783
  831    HB2  GLU 110           HB2      GLU 110 -43.239 -31.684 -36.680
  832    HB3  GLU 110           HB1      GLU 110 -41.729 -32.441 -37.171
  833    HG2  GLU 110           HG2      GLU 110 -42.916 -34.645 -37.240
  834    HG3  GLU 110           HG1      GLU 110 -44.425 -33.801 -36.896
  835    H    THR 111           HN       THR 111 -43.129 -31.264 -33.481
  836    HA   THR 111           HA       THR 111 -45.884 -32.203 -33.278
  837    HB   THR 111           HB       THR 111 -44.412 -33.601 -31.713
  838    HG1  THR 111           HG1      THR 111 -46.011 -33.536 -30.164
  839   HG21  THR 111          HG21      THR 111 -44.498 -31.129 -29.983
  840   HG22  THR 111          HG22      THR 111 -43.101 -31.504 -30.991
  841   HG23  THR 111          HG23      THR 111 -43.594 -32.619 -29.717
  842    H    THR 112           HN       THR 112 -47.243 -30.578 -32.834
  843    HA   THR 112           HA       THR 112 -46.104 -27.918 -32.304
  844    HB   THR 112           HB       THR 112 -48.001 -27.032 -33.313
  845    HG1  THR 112           HG1      THR 112 -49.821 -27.692 -32.554
  846   HG21  THR 112          HG21      THR 112 -48.161 -28.105 -35.362
  847   HG22  THR 112          HG22      THR 112 -48.316 -29.700 -34.627
  848   HG23  THR 112          HG23      THR 112 -46.737 -28.928 -34.724
  849    H    GLU 113           HN       GLU 113 -45.978 -29.560 -30.107
  850    HA   GLU 113           HA       GLU 113 -47.746 -28.145 -28.237
  851    HB2  GLU 113           HB2      GLU 113 -48.188 -30.402 -27.061
  852    HB3  GLU 113           HB1      GLU 113 -49.128 -30.033 -28.511
  853    HG2  GLU 113           HG2      GLU 113 -47.609 -31.370 -29.877
  854    HG3  GLU 113           HG1      GLU 113 -46.584 -31.681 -28.479
  855    H    ASP 114           HN       ASP 114 -47.175 -29.164 -25.892
  856    HA   ASP 114           HA       ASP 114 -44.306 -28.728 -25.585
  857    HB2  ASP 114           HB2      ASP 114 -44.892 -28.891 -23.131
  858    HB3  ASP 114           HB1      ASP 114 -45.660 -27.563 -23.996
  859    H    CYS 115           HN       CYS 115 -43.052 -30.175 -24.245
  860    HA   CYS 115           HA       CYS 115 -44.004 -32.963 -24.194
  861    HB2  CYS 115           HB2      CYS 115 -41.475 -31.904 -25.425
  862    HB3  CYS 115           HB1      CYS 115 -41.659 -33.592 -24.949
  863    HG   CYS 115           HG       CYS 115 -42.642 -32.568 -27.504
  864    HA   PRO 116           HA       PRO 116 -42.010 -32.321 -20.163
  865    HB2  PRO 116           HB2      PRO 116 -42.826 -34.644 -18.960
  866    HB3  PRO 116           HB1      PRO 116 -43.906 -33.252 -19.183
  867    HG2  PRO 116           HG2      PRO 116 -43.737 -35.778 -20.752
  868    HG3  PRO 116           HG1      PRO 116 -45.162 -34.834 -20.294
  869    HD2  PRO 116           HD2      PRO 116 -43.967 -34.765 -22.800
  870    HD3  PRO 116           HD1      PRO 116 -44.985 -33.468 -22.148
  871    H    SER 117           HN       SER 117 -42.026 -35.738 -21.240
  872    HA   SER 117           HA       SER 117 -39.085 -35.895 -20.830
  873    HB2  SER 117           HB2      SER 117 -41.245 -38.010 -20.781
  874    HB3  SER 117           HB1      SER 117 -39.525 -38.379 -20.768
  875    HG   SER 117           HG       SER 117 -40.458 -38.268 -18.663
  876    H    ILE 118           HN       ILE 118 -38.016 -35.703 -22.755
  877    HA   ILE 118           HA       ILE 118 -39.278 -36.080 -25.270
  878    HB   ILE 118           HB       ILE 118 -37.214 -34.610 -24.454
  879   HG12  ILE 118          HG12      ILE 118 -37.372 -35.775 -27.252
  880   HG13  ILE 118          HG11      ILE 118 -38.363 -34.447 -26.654
  881   HG21  ILE 118          HG21      ILE 118 -35.861 -36.704 -24.018
  882   HG22  ILE 118          HG22      ILE 118 -35.066 -35.474 -25.003
  883   HG23  ILE 118          HG23      ILE 118 -35.767 -36.903 -25.765
  884   HD11  ILE 118          HD11      ILE 118 -35.382 -34.176 -26.437
  885   HD12  ILE 118          HD12      ILE 118 -36.621 -32.945 -26.691
  886   HD13  ILE 118          HD13      ILE 118 -36.133 -33.991 -28.016
  887    H    MET 119           HN       MET 119 -37.179 -38.061 -23.269
  888    HA   MET 119           HA       MET 119 -36.675 -40.021 -25.251
  889    HB2  MET 119           HB2      MET 119 -35.208 -39.679 -23.321
  890    HB3  MET 119           HB1      MET 119 -36.507 -40.186 -22.240
  891    HG2  MET 119           HG2      MET 119 -36.525 -42.404 -23.200
  892    HG3  MET 119           HG1      MET 119 -35.408 -41.910 -24.470
  893    HE1  MET 119           HE1      MET 119 -33.341 -43.693 -23.959
  894    HE2  MET 119           HE2      MET 119 -34.872 -44.297 -23.330
  895    HE3  MET 119           HE3      MET 119 -33.416 -44.411 -22.344
  896    H    GLU 120           HN       GLU 120 -39.409 -39.395 -23.233
  897    HA   GLU 120           HA       GLU 120 -40.326 -42.126 -23.238
  898    HB2  GLU 120           HB2      GLU 120 -40.860 -40.555 -21.420
  899    HB3  GLU 120           HB1      GLU 120 -41.770 -39.556 -22.558
  900    HG2  GLU 120           HG2      GLU 120 -43.352 -40.958 -21.436
  901    HG3  GLU 120           HG1      GLU 120 -43.191 -41.604 -23.055
  902    H    GLN 121           HN       GLN 121 -41.135 -39.149 -24.963
  903    HA   GLN 121           HA       GLN 121 -43.155 -40.531 -26.552
  904    HB2  GLN 121           HB2      GLN 121 -43.415 -38.169 -27.522
  905    HB3  GLN 121           HB1      GLN 121 -43.863 -38.391 -25.831
  906    HG2  GLN 121           HG2      GLN 121 -42.057 -37.209 -25.053
  907    HG3  GLN 121           HG1      GLN 121 -41.011 -37.674 -26.385
  908   HE21  GLN 121          HE21      GLN 121 -44.080 -36.488 -27.420
  909   HE22  GLN 121          HE22      GLN 121 -43.569 -34.913 -27.812
  910    H    PHE 122           HN       PHE 122 -39.907 -39.220 -26.915
  911    HA   PHE 122           HA       PHE 122 -39.964 -40.043 -29.755
  912    HB2  PHE 122           HB2      PHE 122 -38.347 -37.849 -28.459
  913    HB3  PHE 122           HB1      PHE 122 -38.235 -38.328 -30.148
  914    HD1  PHE 122           HD2      PHE 122 -41.032 -38.703 -31.014
  915    HD2  PHE 122           HD1      PHE 122 -39.385 -35.747 -28.355
  916    HE1  PHE 122           HE2      PHE 122 -42.922 -37.203 -31.507
  917    HE2  PHE 122           HE1      PHE 122 -41.278 -34.241 -28.876
  918    HZ   PHE 122           HZ       PHE 122 -43.046 -34.970 -30.437
  919    H    HIS 123           HN       HIS 123 -38.943 -41.132 -26.922
  920    HA   HIS 123           HA       HIS 123 -37.277 -42.598 -26.285
  921    HB2  HIS 123           HB2      HIS 123 -37.307 -43.077 -29.253
  922    HB3  HIS 123           HB1      HIS 123 -36.432 -44.083 -28.097
  923    HD2  HIS 123           HD2      HIS 123 -38.767 -45.775 -29.399
  924    HE1  HIS 123           HE1      HIS 123 -41.202 -44.671 -26.130
  925    HE2  HIS 123           HE2      HIS 123 -40.948 -46.303 -28.061
  926    H    MET 124           HN       MET 124 -36.630 -39.811 -27.803
  927    HA   MET 124           HA       MET 124 -33.879 -40.121 -28.440
  928    HB2  MET 124           HB2      MET 124 -35.636 -37.719 -27.944
  929    HB3  MET 124           HB1      MET 124 -33.917 -37.579 -28.287
  930    HG2  MET 124           HG2      MET 124 -34.197 -38.730 -30.415
  931    HG3  MET 124           HG1      MET 124 -35.894 -39.033 -30.056
  932    HE1  MET 124           HE1      MET 124 -35.732 -36.574 -33.000
  933    HE2  MET 124           HE2      MET 124 -35.095 -38.144 -32.517
  934    HE3  MET 124           HE3      MET 124 -34.044 -36.732 -32.508
  935    H    ARG 125           HN       ARG 125 -32.150 -40.020 -27.179
  936    HA   ARG 125           HA       ARG 125 -32.531 -39.453 -24.300
  937    HB2  ARG 125           HB2      ARG 125 -30.177 -40.703 -24.324
  938    HB3  ARG 125           HB1      ARG 125 -31.689 -41.608 -24.342
  939    HG2  ARG 125           HG2      ARG 125 -31.562 -41.966 -26.700
  940    HG3  ARG 125           HG1      ARG 125 -30.268 -40.779 -26.879
  941    HD2  ARG 125           HD2      ARG 125 -29.403 -43.103 -26.935
  942    HD3  ARG 125           HD1      ARG 125 -28.754 -42.183 -25.578
  943    HE   ARG 125           HE       ARG 125 -30.000 -43.517 -24.108
  944   HH11  ARG 125          HH21      ARG 125 -30.810 -44.135 -27.421
  945   HH12  ARG 125          HH22      ARG 125 -31.680 -45.593 -27.075
  946   HH21  ARG 125          HH11      ARG 125 -31.137 -45.421 -23.655
  947   HH22  ARG 125          HH12      ARG 125 -31.864 -46.321 -24.945
  948    H    GLU 126           HN       GLU 126 -30.859 -38.495 -27.213
  949    HA   GLU 126           HA       GLU 126 -29.728 -36.233 -25.782
  950    HB2  GLU 126           HB2      GLU 126 -27.882 -38.009 -27.396
  951    HB3  GLU 126           HB1      GLU 126 -27.450 -36.567 -26.494
  952    HG2  GLU 126           HG2      GLU 126 -28.169 -37.701 -24.399
  953    HG3  GLU 126           HG1      GLU 126 -28.451 -39.168 -25.333
  954    H    ILE 127           HN       ILE 127 -30.572 -34.658 -26.917
  955    HA   ILE 127           HA       ILE 127 -31.021 -34.841 -29.772
  956    HB   ILE 127           HB       ILE 127 -31.168 -32.332 -28.095
  957   HG12  ILE 127          HG12      ILE 127 -32.563 -33.828 -26.877
  958   HG13  ILE 127          HG11      ILE 127 -33.667 -32.981 -27.962
  959   HG21  ILE 127          HG21      ILE 127 -31.368 -31.939 -30.462
  960   HG22  ILE 127          HG22      ILE 127 -32.979 -31.828 -29.769
  961   HG23  ILE 127          HG23      ILE 127 -32.488 -33.277 -30.644
  962   HD11  ILE 127          HD11      ILE 127 -33.356 -34.906 -29.595
  963   HD12  ILE 127          HD12      ILE 127 -34.237 -35.292 -28.121
  964   HD13  ILE 127          HD13      ILE 127 -32.551 -35.769 -28.286
  965    H    HIS 128           HN       HIS 128 -29.689 -34.394 -31.313
  966    HA   HIS 128           HA       HIS 128 -27.131 -33.063 -30.702
  967    HB2  HIS 128           HB2      HIS 128 -27.952 -34.881 -32.958
  968    HB3  HIS 128           HB1      HIS 128 -26.332 -34.217 -32.728
  969    HD2  HIS 128           HD2      HIS 128 -24.866 -35.440 -30.591
  970    HE1  HIS 128           HE1      HIS 128 -27.796 -38.325 -29.675
  971    HE2  HIS 128           HE2      HIS 128 -25.385 -37.631 -29.275
  972    H    SER 129           HN       SER 129 -29.878 -33.028 -32.935
  973    HA   SER 129           HA       SER 129 -29.274 -30.239 -33.558
  974    HB2  SER 129           HB2      SER 129 -29.428 -30.721 -36.036
  975    HB3  SER 129           HB1      SER 129 -27.944 -31.251 -35.258
  976    HG   SER 129           HG       SER 129 -29.786 -32.691 -36.563
  977    H    CYS 130           HN       CYS 130 -31.031 -29.105 -34.394
  978    HA   CYS 130           HA       CYS 130 -33.549 -30.528 -34.862
  979    HB2  CYS 130           HB2      CYS 130 -34.073 -30.181 -32.654
  980    HB3  CYS 130           HB1      CYS 130 -32.936 -28.852 -32.483
  981    HG   CYS 130           HG       CYS 130 -34.727 -27.304 -33.706
  982    H    LYS 131           HN       LYS 131 -35.152 -29.216 -35.878
  983    HA   LYS 131           HA       LYS 131 -34.148 -26.708 -37.094
  984    HB2  LYS 131           HB2      LYS 131 -35.397 -29.074 -38.514
  985    HB3  LYS 131           HB1      LYS 131 -35.224 -27.472 -39.233
  986    HG2  LYS 131           HG2      LYS 131 -32.813 -27.559 -38.986
  987    HG3  LYS 131           HG1      LYS 131 -32.925 -29.082 -38.100
  988    HD2  LYS 131           HD2      LYS 131 -32.300 -29.463 -40.461
  989    HD3  LYS 131           HD1      LYS 131 -33.863 -30.186 -40.085
  990    HE2  LYS 131           HE2      LYS 131 -35.051 -28.550 -41.274
  991    HE3  LYS 131           HE1      LYS 131 -33.723 -27.388 -41.201
  992    HZ1  LYS 131           HZ1      LYS 131 -33.899 -29.851 -42.841
  993    HZ2  LYS 131           HZ2      LYS 131 -32.447 -29.001 -42.608
  994    HZ3  LYS 131           HZ3      LYS 131 -33.759 -28.249 -43.382
  995    H    VAL 132           HN       VAL 132 -36.094 -25.767 -38.444
  996    HA   VAL 132           HA       VAL 132 -38.110 -24.692 -38.330
  997    HB   VAL 132           HB       VAL 132 -39.094 -27.162 -36.888
  998   HG11  VAL 132          HG11      VAL 132 -40.807 -25.533 -36.904
  999   HG12  VAL 132          HG12      VAL 132 -41.161 -26.522 -38.319
 1000   HG13  VAL 132          HG13      VAL 132 -40.378 -24.959 -38.515
 1001   HG21  VAL 132          HG21      VAL 132 -38.661 -26.665 -39.848
 1002   HG22  VAL 132          HG22      VAL 132 -39.625 -27.991 -39.203
 1003   HG23  VAL 132          HG23      VAL 132 -37.898 -27.911 -38.859
 1004    H    LEU 133           HN       LEU 133 -37.750 -22.999 -36.989
 1005    HA   LEU 133           HA       LEU 133 -38.241 -23.407 -34.088
 1006    HB2  LEU 133           HB2      LEU 133 -36.360 -21.630 -35.607
 1007    HB3  LEU 133           HB1      LEU 133 -36.998 -21.044 -34.071
 1008    HG   LEU 133           HG       LEU 133 -34.818 -22.258 -33.848
 1009   HD11  LEU 133          HD11      LEU 133 -36.612 -24.100 -32.390
 1010   HD12  LEU 133          HD12      LEU 133 -37.038 -22.400 -32.192
 1011   HD13  LEU 133          HD13      LEU 133 -35.425 -22.953 -31.779
 1012   HD21  LEU 133          HD21      LEU 133 -35.618 -23.925 -35.741
 1013   HD22  LEU 133          HD22      LEU 133 -36.277 -24.833 -34.380
 1014   HD23  LEU 133          HD23      LEU 133 -34.550 -24.491 -34.459
 1015    H    GLU 134           HN       GLU 134 -39.208 -21.529 -32.989
 1016    HA   GLU 134           HA       GLU 134 -40.990 -19.925 -34.703
 1017    HB2  GLU 134           HB2      GLU 134 -41.883 -22.150 -33.315
 1018    HB3  GLU 134           HB1      GLU 134 -42.241 -20.854 -32.182
 1019    HG2  GLU 134           HG2      GLU 134 -43.175 -21.078 -35.062
 1020    HG3  GLU 134           HG1      GLU 134 -44.162 -21.111 -33.604
 1021    H    GLY 135           HN       GLY 135 -40.421 -17.902 -34.293
 1022    HA2  GLY 135           HA2      GLY 135 -39.590 -16.048 -33.174
 1023    HA3  GLY 135           HA1      GLY 135 -40.871 -16.463 -32.039
 1024    H    VAL 136           HN       VAL 136 -40.382 -17.688 -30.193
 1025    HA   VAL 136           HA       VAL 136 -37.506 -17.903 -29.510
 1026    HB   VAL 136           HB       VAL 136 -39.700 -17.129 -27.600
 1027   HG11  VAL 136          HG11      VAL 136 -37.918 -16.646 -26.074
 1028   HG12  VAL 136          HG12      VAL 136 -36.702 -16.823 -27.338
 1029   HG13  VAL 136          HG13      VAL 136 -37.570 -18.239 -26.748
 1030   HG21  VAL 136          HG21      VAL 136 -37.904 -15.457 -29.342
 1031   HG22  VAL 136          HG22      VAL 136 -38.408 -14.854 -27.765
 1032   HG23  VAL 136          HG23      VAL 136 -39.617 -15.249 -28.980
 1033    H    TRP 137           HN       TRP 137 -36.888 -19.660 -28.337
 1034    HA   TRP 137           HA       TRP 137 -38.959 -21.721 -27.785
 1035    HB2  TRP 137           HB2      TRP 137 -37.560 -22.057 -29.922
 1036    HB3  TRP 137           HB1      TRP 137 -36.188 -22.319 -28.843
 1037    HD1  TRP 137           HD1      TRP 137 -36.132 -24.492 -27.420
 1038    HE1  TRP 137           HE1      TRP 137 -37.499 -26.678 -27.508
 1039    HE3  TRP 137           HE3      TRP 137 -39.951 -22.990 -30.420
 1040    HZ2  TRP 137           HZ2      TRP 137 -39.934 -27.636 -28.667
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.788 -24.546 -31.004
 1042    HH2  TRP 137           HH2      TRP 137 -41.782 -26.864 -30.126
 1043    H    ILE 138           HN       ILE 138 -38.077 -23.474 -26.353
 1044    HA   ILE 138           HA       ILE 138 -35.952 -22.638 -24.513
 1045    HB   ILE 138           HB       ILE 138 -38.806 -23.181 -23.661
 1046   HG12  ILE 138          HG12      ILE 138 -36.919 -20.855 -23.132
 1047   HG13  ILE 138          HG11      ILE 138 -38.241 -20.845 -24.296
 1048   HG21  ILE 138          HG21      ILE 138 -37.862 -22.963 -21.308
 1049   HG22  ILE 138          HG22      ILE 138 -36.258 -23.137 -22.014
 1050   HG23  ILE 138          HG23      ILE 138 -37.428 -24.448 -22.142
 1051   HD11  ILE 138          HD11      ILE 138 -39.273 -19.864 -22.455
 1052   HD12  ILE 138          HD12      ILE 138 -38.365 -20.833 -21.301
 1053   HD13  ILE 138          HD13      ILE 138 -39.695 -21.557 -22.202
 1054    H    PHE 139           HN       PHE 139 -34.668 -24.283 -24.135
 1055    HA   PHE 139           HA       PHE 139 -35.724 -27.053 -24.316
 1056    HB2  PHE 139           HB2      PHE 139 -33.324 -25.754 -25.424
 1057    HB3  PHE 139           HB1      PHE 139 -32.921 -27.186 -24.483
 1058    HD1  PHE 139           HD1      PHE 139 -36.031 -26.586 -26.490
 1059    HD2  PHE 139           HD2      PHE 139 -32.340 -28.753 -26.159
 1060    HE1  PHE 139           HE1      PHE 139 -36.756 -28.083 -28.316
 1061    HE2  PHE 139           HE2      PHE 139 -33.061 -30.257 -27.992
 1062    HZ   PHE 139           HZ       PHE 139 -35.268 -29.925 -29.073
 1063    H    TYR 140           HN       TYR 140 -35.631 -28.282 -22.582
 1064    HA   TYR 140           HA       TYR 140 -34.306 -27.186 -20.168
 1065    HB2  TYR 140           HB2      TYR 140 -36.818 -28.761 -20.671
 1066    HB3  TYR 140           HB1      TYR 140 -36.004 -28.947 -19.126
 1067    HD1  TYR 140           HD2      TYR 140 -35.409 -26.816 -17.820
 1068    HD2  TYR 140           HD1      TYR 140 -38.230 -26.898 -21.052
 1069    HE1  TYR 140           HE2      TYR 140 -36.391 -24.693 -17.015
 1070    HE2  TYR 140           HE1      TYR 140 -39.213 -24.770 -20.251
 1071    HH   TYR 140           HH       TYR 140 -38.860 -23.586 -17.302
 1072    H    GLU 141           HN       GLU 141 -32.424 -28.134 -19.769
 1073    HA   GLU 141           HA       GLU 141 -31.437 -30.462 -20.845
 1074    HB2  GLU 141           HB2      GLU 141 -30.124 -28.785 -19.546
 1075    HB3  GLU 141           HB1      GLU 141 -30.826 -29.446 -18.069
 1076    HG2  GLU 141           HG2      GLU 141 -29.887 -31.668 -18.624
 1077    HG3  GLU 141           HG1      GLU 141 -29.168 -30.990 -20.085
 1078    H    LEU 142           HN       LEU 142 -33.749 -30.089 -18.295
 1079    HA   LEU 142           HA       LEU 142 -33.685 -33.012 -17.806
 1080    HB2  LEU 142           HB2      LEU 142 -33.908 -30.719 -15.955
 1081    HB3  LEU 142           HB1      LEU 142 -35.025 -32.018 -15.619
 1082    HG   LEU 142           HG       LEU 142 -33.157 -33.617 -15.556
 1083   HD11  LEU 142          HD11      LEU 142 -30.807 -32.448 -15.466
 1084   HD12  LEU 142          HD12      LEU 142 -31.602 -31.169 -16.382
 1085   HD13  LEU 142          HD13      LEU 142 -31.529 -32.806 -17.031
 1086   HD21  LEU 142          HD21      LEU 142 -32.288 -32.943 -13.437
 1087   HD22  LEU 142          HD22      LEU 142 -33.881 -32.193 -13.537
 1088   HD23  LEU 142          HD23      LEU 142 -32.434 -31.232 -13.836
 1089    HA   PRO 143           HA       PRO 143 -37.838 -33.159 -19.176
 1090    HB2  PRO 143           HB2      PRO 143 -38.886 -35.228 -17.752
 1091    HB3  PRO 143           HB1      PRO 143 -37.649 -35.469 -19.002
 1092    HG2  PRO 143           HG2      PRO 143 -37.354 -35.413 -16.040
 1093    HG3  PRO 143           HG1      PRO 143 -36.536 -36.426 -17.234
 1094    HD2  PRO 143           HD2      PRO 143 -35.410 -34.178 -16.061
 1095    HD3  PRO 143           HD1      PRO 143 -34.888 -34.868 -17.609
 1096    H    ASN 144           HN       ASN 144 -40.103 -33.054 -18.525
 1097    HA   ASN 144           HA       ASN 144 -41.859 -32.242 -17.312
 1098    HB2  ASN 144           HB2      ASN 144 -40.089 -31.934 -14.897
 1099    HB3  ASN 144           HB1      ASN 144 -41.815 -32.283 -14.967
 1100   HD21  ASN 144          HD21      ASN 144 -38.621 -33.707 -15.078
 1101   HD22  ASN 144          HD22      ASN 144 -39.133 -35.322 -15.170
 1102    H    TYR 145           HN       TYR 145 -39.411 -30.574 -18.477
 1103    HA   TYR 145           HA       TYR 145 -39.221 -28.358 -18.943
 1104    HB2  TYR 145           HB2      TYR 145 -41.243 -27.564 -16.869
 1105    HB3  TYR 145           HB1      TYR 145 -40.908 -26.856 -18.445
 1106    HD1  TYR 145           HD2      TYR 145 -41.117 -28.809 -20.423
 1107    HD2  TYR 145           HD1      TYR 145 -43.336 -28.599 -16.749
 1108    HE1  TYR 145           HE2      TYR 145 -42.932 -30.157 -21.442
 1109    HE2  TYR 145           HE1      TYR 145 -45.141 -29.956 -17.763
 1110    HH   TYR 145           HH       TYR 145 -45.205 -31.735 -19.737
 1111    H    ARG 146           HN       ARG 146 -37.813 -29.835 -16.769
 1112    HA   ARG 146           HA       ARG 146 -37.032 -27.532 -15.057
 1113    HB2  ARG 146           HB2      ARG 146 -36.806 -30.496 -14.487
 1114    HB3  ARG 146           HB1      ARG 146 -36.242 -29.202 -13.430
 1115    HG2  ARG 146           HG2      ARG 146 -38.627 -28.294 -13.491
 1116    HG3  ARG 146           HG1      ARG 146 -39.087 -29.827 -14.235
 1117    HD2  ARG 146           HD2      ARG 146 -37.658 -29.554 -11.583
 1118    HD3  ARG 146           HD1      ARG 146 -39.383 -29.844 -11.760
 1119    HE   ARG 146           HE       ARG 146 -37.224 -31.752 -12.281
 1120   HH11  ARG 146          HH21      ARG 146 -40.597 -30.950 -12.443
 1121   HH12  ARG 146          HH22      ARG 146 -41.109 -32.590 -12.652
 1122   HH21  ARG 146          HH11      ARG 146 -37.899 -33.892 -12.549
 1123   HH22  ARG 146          HH12      ARG 146 -39.586 -34.253 -12.711
 1124    H    GLY 147           HN       GLY 147 -34.682 -27.753 -14.285
 1125    HA2  GLY 147           HA2      GLY 147 -32.428 -28.394 -14.765
 1126    HA3  GLY 147           HA1      GLY 147 -32.921 -28.855 -16.383
 1127    H    ARG 148           HN       ARG 148 -30.715 -27.269 -15.818
 1128    HA   ARG 148           HA       ARG 148 -31.215 -24.505 -16.111
 1129    HB2  ARG 148           HB2      ARG 148 -28.814 -24.556 -17.098
 1130    HB3  ARG 148           HB1      ARG 148 -29.041 -25.030 -15.415
 1131    HG2  ARG 148           HG2      ARG 148 -28.853 -27.339 -15.910
 1132    HG3  ARG 148           HG1      ARG 148 -29.091 -27.074 -17.636
 1133    HD2  ARG 148           HD2      ARG 148 -26.949 -25.944 -17.812
 1134    HD3  ARG 148           HD1      ARG 148 -26.718 -26.028 -16.072
 1135    HE   ARG 148           HE       ARG 148 -27.048 -28.645 -16.880
 1136   HH11  ARG 148          HH21      ARG 148 -24.967 -25.989 -17.642
 1137   HH12  ARG 148          HH22      ARG 148 -23.608 -26.989 -18.035
 1138   HH21  ARG 148          HH11      ARG 148 -25.274 -29.963 -17.392
 1139   HH22  ARG 148          HH12      ARG 148 -23.782 -29.240 -17.893
 1140    H    GLN 149           HN       GLN 149 -32.861 -24.436 -17.702
 1141    HA   GLN 149           HA       GLN 149 -32.686 -25.527 -20.215
 1142    HB2  GLN 149           HB2      GLN 149 -34.270 -23.754 -20.942
 1143    HB3  GLN 149           HB1      GLN 149 -34.753 -24.519 -19.428
 1144    HG2  GLN 149           HG2      GLN 149 -33.175 -21.939 -19.568
 1145    HG3  GLN 149           HG1      GLN 149 -34.931 -22.000 -19.441
 1146   HE21  GLN 149          HE21      GLN 149 -35.869 -22.687 -17.409
 1147   HE22  GLN 149          HE22      GLN 149 -34.927 -22.864 -16.002
 1148    H    TYR 150           HN       TYR 150 -32.881 -23.544 -22.093
 1149    HA   TYR 150           HA       TYR 150 -30.364 -22.026 -22.037
 1150    HB2  TYR 150           HB2      TYR 150 -31.070 -24.057 -24.169
 1151    HB3  TYR 150           HB1      TYR 150 -29.783 -22.856 -24.321
 1152    HD1  TYR 150           HD2      TYR 150 -28.040 -22.758 -22.406
 1153    HD2  TYR 150           HD1      TYR 150 -30.607 -26.120 -23.136
 1154    HE1  TYR 150           HE2      TYR 150 -26.494 -24.212 -21.125
 1155    HE2  TYR 150           HE1      TYR 150 -29.062 -27.579 -21.858
 1156    HH   TYR 150           HH       TYR 150 -26.944 -27.702 -21.007
 1157    H    LEU 151           HN       LEU 151 -30.217 -20.477 -23.841
 1158    HA   LEU 151           HA       LEU 151 -32.893 -19.440 -24.517
 1159    HB2  LEU 151           HB2      LEU 151 -30.637 -18.195 -23.463
 1160    HB3  LEU 151           HB1      LEU 151 -30.569 -17.727 -25.158
 1161    HG   LEU 151           HG       LEU 151 -31.842 -16.072 -23.883
 1162   HD11  LEU 151          HD11      LEU 151 -32.562 -16.958 -26.256
 1163   HD12  LEU 151          HD12      LEU 151 -33.608 -15.846 -25.377
 1164   HD13  LEU 151          HD13      LEU 151 -33.968 -17.575 -25.387
 1165   HD21  LEU 151          HD21      LEU 151 -32.698 -18.196 -22.332
 1166   HD22  LEU 151          HD22      LEU 151 -34.145 -17.833 -23.272
 1167   HD23  LEU 151          HD23      LEU 151 -33.387 -16.576 -22.295
 1168    H    LEU 152           HN       LEU 152 -33.435 -18.837 -26.603
 1169    HA   LEU 152           HA       LEU 152 -32.351 -20.508 -28.652
 1170    HB2  LEU 152           HB2      LEU 152 -34.780 -19.528 -28.318
 1171    HB3  LEU 152           HB1      LEU 152 -34.149 -18.156 -29.225
 1172    HG   LEU 152           HG       LEU 152 -34.155 -21.050 -30.131
 1173   HD11  LEU 152          HD11      LEU 152 -35.707 -20.179 -31.883
 1174   HD12  LEU 152          HD12      LEU 152 -35.719 -18.623 -31.051
 1175   HD13  LEU 152          HD13      LEU 152 -36.367 -20.055 -30.253
 1176   HD21  LEU 152          HD21      LEU 152 -32.967 -18.534 -31.306
 1177   HD22  LEU 152          HD22      LEU 152 -33.456 -19.871 -32.349
 1178   HD23  LEU 152          HD23      LEU 152 -32.224 -20.121 -31.115
 1179    H    ASP 153           HN       ASP 153 -30.544 -20.115 -29.722
 1180    HA   ASP 153           HA       ASP 153 -29.939 -17.394 -30.638
 1181    HB2  ASP 153           HB2      ASP 153 -27.612 -17.543 -29.855
 1182    HB3  ASP 153           HB1      ASP 153 -28.734 -17.588 -28.495
 1183    H    LYS 154           HN       LYS 154 -28.156 -17.414 -32.236
 1184    HA   LYS 154           HA       LYS 154 -27.237 -18.195 -34.184
 1185    HB2  LYS 154           HB2      LYS 154 -26.254 -19.854 -32.436
 1186    HB3  LYS 154           HB1      LYS 154 -27.427 -20.996 -33.087
 1187    HG2  LYS 154           HG2      LYS 154 -25.613 -21.443 -34.472
 1188    HG3  LYS 154           HG1      LYS 154 -26.428 -20.209 -35.427
 1189    HD2  LYS 154           HD2      LYS 154 -24.939 -18.498 -34.263
 1190    HD3  LYS 154           HD1      LYS 154 -24.033 -19.862 -33.604
 1191    HE2  LYS 154           HE2      LYS 154 -22.922 -19.146 -35.635
 1192    HE3  LYS 154           HE1      LYS 154 -23.709 -20.690 -35.964
 1193    HZ1  LYS 154           HZ1      LYS 154 -25.299 -19.717 -37.246
 1194    HZ2  LYS 154           HZ2      LYS 154 -24.007 -18.660 -37.560
 1195    HZ3  LYS 154           HZ3      LYS 154 -25.213 -18.225 -36.445
 1196    H    LYS 155           HN       LYS 155 -27.828 -19.098 -36.171
 1197    HA   LYS 155           HA       LYS 155 -30.674 -19.631 -36.440
 1198    HB2  LYS 155           HB2      LYS 155 -28.437 -19.323 -38.453
 1199    HB3  LYS 155           HB1      LYS 155 -30.115 -19.645 -38.890
 1200    HG2  LYS 155           HG2      LYS 155 -30.848 -17.587 -37.837
 1201    HG3  LYS 155           HG1      LYS 155 -29.232 -17.299 -37.193
 1202    HD2  LYS 155           HD2      LYS 155 -29.401 -15.913 -39.122
 1203    HD3  LYS 155           HD1      LYS 155 -28.408 -17.285 -39.608
 1204    HE2  LYS 155           HE2      LYS 155 -30.236 -18.307 -40.776
 1205    HE3  LYS 155           HE1      LYS 155 -31.402 -17.190 -40.063
 1206    HZ1  LYS 155           HZ1      LYS 155 -30.866 -15.575 -41.511
 1207    HZ2  LYS 155           HZ2      LYS 155 -30.281 -16.853 -42.466
 1208    HZ3  LYS 155           HZ3      LYS 155 -29.212 -15.951 -41.502
 1209    H    GLU 156           HN       GLU 156 -31.497 -21.594 -36.374
 1210    HA   GLU 156           HA       GLU 156 -31.778 -23.860 -36.608
 1211    HB2  GLU 156           HB2      GLU 156 -30.884 -23.239 -38.958
 1212    HB3  GLU 156           HB1      GLU 156 -29.352 -23.907 -38.401
 1213    HG2  GLU 156           HG2      GLU 156 -30.477 -26.042 -37.862
 1214    HG3  GLU 156           HG1      GLU 156 -32.007 -25.373 -38.426
 1215    H    TYR 157           HN       TYR 157 -30.769 -25.948 -36.025
 1216    HA   TYR 157           HA       TYR 157 -28.302 -25.628 -34.426
 1217    HB2  TYR 157           HB2      TYR 157 -30.529 -27.455 -33.592
 1218    HB3  TYR 157           HB1      TYR 157 -29.208 -26.801 -32.627
 1219    HD1  TYR 157           HD2      TYR 157 -29.189 -23.964 -33.065
 1220    HD2  TYR 157           HD1      TYR 157 -32.572 -26.601 -32.859
 1221    HE1  TYR 157           HE2      TYR 157 -30.631 -22.067 -32.412
 1222    HE2  TYR 157           HE1      TYR 157 -34.007 -24.708 -32.209
 1223    HH   TYR 157           HH       TYR 157 -33.492 -21.756 -32.716
 1224    H    ARG 158           HN       ARG 158 -26.792 -26.726 -35.497
 1225    HA   ARG 158           HA       ARG 158 -27.491 -29.380 -36.626
 1226    HB2  ARG 158           HB2      ARG 158 -25.623 -29.121 -38.111
 1227    HB3  ARG 158           HB1      ARG 158 -26.560 -27.634 -38.188
 1228    HG2  ARG 158           HG2      ARG 158 -24.991 -26.662 -36.458
 1229    HG3  ARG 158           HG1      ARG 158 -23.994 -28.102 -36.663
 1230    HD2  ARG 158           HD2      ARG 158 -23.748 -27.613 -39.057
 1231    HD3  ARG 158           HD1      ARG 158 -24.759 -26.182 -38.872
 1232    HE   ARG 158           HE       ARG 158 -22.974 -25.089 -37.818
 1233   HH11  ARG 158          HH21      ARG 158 -22.316 -28.451 -38.342
 1234   HH12  ARG 158          HH22      ARG 158 -20.624 -28.311 -37.994
 1235   HH21  ARG 158          HH11      ARG 158 -20.764 -24.908 -37.350
 1236   HH22  ARG 158          HH12      ARG 158 -19.747 -26.307 -37.433
 1237    H    LYS 159           HN       LYS 159 -25.596 -27.725 -34.235
 1238    HA   LYS 159           HA       LYS 159 -24.251 -30.278 -33.542
 1239    HB2  LYS 159           HB2      LYS 159 -22.579 -28.546 -32.378
 1240    HB3  LYS 159           HB1      LYS 159 -22.408 -28.976 -34.076
 1241    HG2  LYS 159           HG2      LYS 159 -23.342 -26.938 -34.812
 1242    HG3  LYS 159           HG1      LYS 159 -24.106 -26.631 -33.265
 1243    HD2  LYS 159           HD2      LYS 159 -22.108 -25.180 -33.681
 1244    HD3  LYS 159           HD1      LYS 159 -21.970 -26.162 -32.221
 1245    HE2  LYS 159           HE2      LYS 159 -19.922 -26.137 -33.743
 1246    HE3  LYS 159           HE1      LYS 159 -20.534 -27.729 -33.294
 1247    HZ1  LYS 159           HZ1      LYS 159 -20.037 -27.093 -35.785
 1248    HZ2  LYS 159           HZ2      LYS 159 -21.623 -26.488 -35.703
 1249    HZ3  LYS 159           HZ3      LYS 159 -21.318 -28.125 -35.369
 1250    HA   PRO 160           HA       PRO 160 -26.155 -30.130 -29.581
 1251    HB2  PRO 160           HB2      PRO 160 -23.986 -30.728 -27.906
 1252    HB3  PRO 160           HB1      PRO 160 -24.976 -31.899 -28.770
 1253    HG2  PRO 160           HG2      PRO 160 -22.328 -30.795 -29.505
 1254    HG3  PRO 160           HG1      PRO 160 -22.953 -32.443 -29.706
 1255    HD2  PRO 160           HD2      PRO 160 -22.797 -30.741 -31.786
 1256    HD3  PRO 160           HD1      PRO 160 -24.131 -31.898 -31.644
 1257    H    ILE 161           HN       ILE 161 -23.331 -28.156 -30.137
 1258    HA   ILE 161           HA       ILE 161 -23.804 -26.564 -27.723
 1259    HB   ILE 161           HB       ILE 161 -21.716 -26.192 -29.879
 1260   HG12  ILE 161          HG12      ILE 161 -20.418 -27.344 -27.714
 1261   HG13  ILE 161          HG11      ILE 161 -21.948 -28.215 -27.700
 1262   HG21  ILE 161          HG21      ILE 161 -22.113 -25.135 -27.076
 1263   HG22  ILE 161          HG22      ILE 161 -21.837 -24.238 -28.568
 1264   HG23  ILE 161          HG23      ILE 161 -20.522 -25.151 -27.838
 1265   HD11  ILE 161          HD11      ILE 161 -21.588 -28.661 -30.185
 1266   HD12  ILE 161          HD12      ILE 161 -20.448 -29.465 -29.106
 1267   HD13  ILE 161          HD13      ILE 161 -19.959 -28.016 -29.984
 1268    H    ASP 162           HN       ASP 162 -24.934 -26.663 -30.849
 1269    HA   ASP 162           HA       ASP 162 -24.831 -24.034 -31.728
 1270    HB2  ASP 162           HB2      ASP 162 -26.151 -26.341 -32.611
 1271    HB3  ASP 162           HB1      ASP 162 -27.453 -25.229 -32.295
 1272    H    TRP 163           HN       TRP 163 -26.875 -25.503 -29.272
 1273    HA   TRP 163           HA       TRP 163 -28.336 -22.953 -28.953
 1274    HB2  TRP 163           HB2      TRP 163 -29.753 -24.444 -27.387
 1275    HB3  TRP 163           HB1      TRP 163 -29.911 -24.667 -29.129
 1276    HD1  TRP 163           HD1      TRP 163 -27.638 -26.072 -26.348
 1277    HE1  TRP 163           HE1      TRP 163 -27.378 -28.613 -26.743
 1278    HE3  TRP 163           HE3      TRP 163 -30.356 -26.615 -30.642
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.170 -30.576 -28.583
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.563 -28.854 -31.707
 1281    HH2  TRP 163           HH2      TRP 163 -29.450 -30.819 -30.675
 1282    H    GLY 164           HN       GLY 164 -25.509 -23.664 -28.033
 1283    HA2  GLY 164           HA2      GLY 164 -24.230 -22.906 -26.288
 1284    HA3  GLY 164           HA1      GLY 164 -25.697 -22.270 -25.570
 1285    H    ALA 165           HN       ALA 165 -25.386 -25.719 -26.303
 1286    HA   ALA 165           HA       ALA 165 -25.323 -26.245 -23.369
 1287    HB1  ALA 165           HB1      ALA 165 -27.300 -27.170 -24.408
 1288    HB2  ALA 165           HB2      ALA 165 -26.212 -28.479 -23.948
 1289    HB3  ALA 165           HB3      ALA 165 -26.305 -27.966 -25.623
 1290    H    ALA 166           HN       ALA 166 -23.753 -27.441 -22.501
 1291    HA   ALA 166           HA       ALA 166 -21.396 -27.904 -24.069
 1292    HB1  ALA 166           HB1      ALA 166 -20.520 -28.826 -21.903
 1293    HB2  ALA 166           HB2      ALA 166 -22.101 -28.502 -21.195
 1294    HB3  ALA 166           HB3      ALA 166 -21.115 -27.171 -21.801
 1295    H    SER 167           HN       SER 167 -23.903 -29.430 -24.711
 1296    HA   SER 167           HA       SER 167 -22.852 -31.794 -25.549
 1297    HB2  SER 167           HB2      SER 167 -23.503 -31.866 -22.665
 1298    HB3  SER 167           HB1      SER 167 -24.060 -33.256 -23.593
 1299    HG   SER 167           HG       SER 167 -21.510 -32.455 -22.935
 1300    HA   PRO 168           HA       PRO 168 -26.999 -32.122 -27.165
 1301    HB2  PRO 168           HB2      PRO 168 -27.095 -34.779 -27.861
 1302    HB3  PRO 168           HB1      PRO 168 -26.181 -33.585 -28.777
 1303    HG2  PRO 168           HG2      PRO 168 -25.211 -35.542 -26.773
 1304    HG3  PRO 168           HG1      PRO 168 -24.460 -35.026 -28.290
 1305    HD2  PRO 168           HD2      PRO 168 -23.653 -34.085 -25.845
 1306    HD3  PRO 168           HD1      PRO 168 -23.522 -33.127 -27.333
 1307    H    ALA 169           HN       ALA 169 -25.952 -33.885 -24.433
 1308    HA   ALA 169           HA       ALA 169 -28.197 -35.455 -23.837
 1309    HB1  ALA 169           HB1      ALA 169 -25.921 -35.543 -22.714
 1310    HB2  ALA 169           HB2      ALA 169 -27.298 -35.611 -21.615
 1311    HB3  ALA 169           HB3      ALA 169 -26.404 -34.107 -21.810
 1312    H    VAL 170           HN       VAL 170 -29.805 -33.733 -24.627
 1313    HA   VAL 170           HA       VAL 170 -30.513 -31.837 -22.488
 1314    HB   VAL 170           HB       VAL 170 -31.825 -32.070 -25.203
 1315   HG11  VAL 170          HG11      VAL 170 -32.990 -30.234 -24.547
 1316   HG12  VAL 170          HG12      VAL 170 -31.520 -29.383 -24.084
 1317   HG13  VAL 170          HG13      VAL 170 -32.324 -30.442 -22.936
 1318   HG21  VAL 170          HG21      VAL 170 -30.106 -29.991 -25.567
 1319   HG22  VAL 170          HG22      VAL 170 -29.714 -31.645 -26.025
 1320   HG23  VAL 170          HG23      VAL 170 -29.121 -30.994 -24.501
 1321    H    GLN 171           HN       GLN 171 -33.308 -31.780 -23.384
 1322    HA   GLN 171           HA       GLN 171 -34.309 -34.432 -22.922
 1323    HB2  GLN 171           HB2      GLN 171 -33.709 -33.130 -20.669
 1324    HB3  GLN 171           HB1      GLN 171 -35.315 -32.452 -20.918
 1325    HG2  GLN 171           HG2      GLN 171 -35.734 -34.391 -19.675
 1326    HG3  GLN 171           HG1      GLN 171 -36.051 -34.922 -21.319
 1327   HE21  GLN 171          HE21      GLN 171 -34.265 -36.155 -22.409
 1328   HE22  GLN 171          HE22      GLN 171 -33.156 -37.027 -21.459
 1329    H    SER 172           HN       SER 172 -36.753 -32.688 -21.810
 1330    HA   SER 172           HA       SER 172 -37.932 -32.474 -24.488
 1331    HB2  SER 172           HB2      SER 172 -39.446 -32.147 -21.953
 1332    HB3  SER 172           HB1      SER 172 -39.954 -32.855 -23.489
 1333    HG   SER 172           HG       SER 172 -38.008 -34.324 -22.828
 1334    H    PHE 173           HN       PHE 173 -40.067 -30.744 -23.556
 1335    HA   PHE 173           HA       PHE 173 -38.947 -28.248 -22.799
 1336    HB2  PHE 173           HB2      PHE 173 -39.182 -27.115 -25.008
 1337    HB3  PHE 173           HB1      PHE 173 -37.896 -28.328 -24.966
 1338    HD1  PHE 173           HD1      PHE 173 -41.470 -27.820 -25.942
 1339    HD2  PHE 173           HD2      PHE 173 -37.915 -30.187 -26.398
 1340    HE1  PHE 173           HE1      PHE 173 -42.533 -29.073 -27.799
 1341    HE2  PHE 173           HE2      PHE 173 -38.978 -31.434 -28.251
 1342    HZ   PHE 173           HZ       PHE 173 -41.291 -30.880 -28.953
 1343    H    ARG 174           HN       ARG 174 -40.540 -26.413 -23.627
 1344    HA   ARG 174           HA       ARG 174 -43.285 -27.323 -23.844
 1345    HB2  ARG 174           HB2      ARG 174 -43.933 -25.938 -21.803
 1346    HB3  ARG 174           HB1      ARG 174 -43.184 -27.499 -21.505
 1347    HG2  ARG 174           HG2      ARG 174 -41.129 -26.560 -20.867
 1348    HG3  ARG 174           HG1      ARG 174 -41.454 -25.037 -21.691
 1349    HD2  ARG 174           HD2      ARG 174 -42.941 -26.009 -19.235
 1350    HD3  ARG 174           HD1      ARG 174 -41.625 -24.835 -19.221
 1351    HE   ARG 174           HE       ARG 174 -43.439 -23.819 -21.010
 1352   HH11  ARG 174          HH21      ARG 174 -43.457 -24.871 -17.710
 1353   HH12  ARG 174          HH22      ARG 174 -44.690 -23.759 -17.217
 1354   HH21  ARG 174          HH11      ARG 174 -45.042 -22.356 -20.368
 1355   HH22  ARG 174          HH12      ARG 174 -45.590 -22.333 -18.726
 1356    H    ARG 175           HN       ARG 175 -44.407 -25.924 -25.041
 1357    HA   ARG 175           HA       ARG 175 -43.276 -23.717 -26.229
 1358    HB2  ARG 175           HB2      ARG 175 -45.618 -23.083 -26.824
 1359    HB3  ARG 175           HB1      ARG 175 -45.287 -24.788 -27.110
 1360    HG2  ARG 175           HG2      ARG 175 -46.245 -25.278 -24.837
 1361    HG3  ARG 175           HG1      ARG 175 -46.751 -23.595 -24.750
 1362    HD2  ARG 175           HD2      ARG 175 -48.094 -23.904 -26.815
 1363    HD3  ARG 175           HD1      ARG 175 -47.599 -25.594 -26.861
 1364    HE   ARG 175           HE       ARG 175 -48.898 -26.012 -24.926
 1365   HH11  ARG 175          HH21      ARG 175 -49.039 -22.690 -25.952
 1366   HH12  ARG 175          HH22      ARG 175 -50.476 -22.343 -25.052
 1367   HH21  ARG 175          HH11      ARG 175 -50.763 -25.533 -23.741
 1368   HH22  ARG 175          HH12      ARG 175 -51.445 -23.944 -23.808
 1369    H    ILE 176           HN       ILE 176 -42.798 -21.826 -25.658
 1370    HA   ILE 176           HA       ILE 176 -43.024 -20.847 -23.036
 1371    HB   ILE 176           HB       ILE 176 -42.752 -19.069 -25.471
 1372   HG12  ILE 176          HG12      ILE 176 -40.661 -20.829 -24.152
 1373   HG13  ILE 176          HG11      ILE 176 -41.216 -20.924 -25.822
 1374   HG21  ILE 176          HG21      ILE 176 -42.955 -18.169 -23.082
 1375   HG22  ILE 176          HG22      ILE 176 -41.536 -17.650 -23.991
 1376   HG23  ILE 176          HG23      ILE 176 -41.389 -18.919 -22.775
 1377   HD11  ILE 176          HD11      ILE 176 -39.274 -19.672 -26.084
 1378   HD12  ILE 176          HD12      ILE 176 -39.458 -18.863 -24.530
 1379   HD13  ILE 176          HD13      ILE 176 -40.467 -18.392 -25.890
 1380    H    VAL 177           HN       VAL 177 -44.656 -19.915 -21.991
 1381    HA   VAL 177           HA       VAL 177 -46.863 -18.691 -23.532
 1382    HB   VAL 177           HB       VAL 177 -48.391 -19.758 -21.732
 1383   HG11  VAL 177          HG11      VAL 177 -48.580 -20.453 -24.025
 1384   HG12  VAL 177          HG12      VAL 177 -48.466 -21.925 -23.060
 1385   HG13  VAL 177          HG13      VAL 177 -47.060 -21.342 -23.947
 1386   HG21  VAL 177          HG21      VAL 177 -46.157 -21.794 -21.650
 1387   HG22  VAL 177          HG22      VAL 177 -47.602 -21.718 -20.643
 1388   HG23  VAL 177          HG23      VAL 177 -46.310 -20.537 -20.421
 1389    H    GLU 178           HN       GLU 178 -47.832 -16.958 -22.564
 1390    HA   GLU 178           HA       GLU 178 -46.936 -16.154 -19.867
 1391    HB2  GLU 178           HB2      GLU 178 -45.477 -15.058 -21.592
 1392    HB3  GLU 178           HB1      GLU 178 -46.924 -14.305 -22.261
 1393    HG2  GLU 178           HG2      GLU 178 -47.386 -13.246 -20.082
 1394    HG3  GLU 178           HG1      GLU 178 -45.925 -13.981 -19.434
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1 -41.878   9.763 -26.772
    2    H2   GLY   1           HT2      GLY   1 -43.347   9.716 -25.920
    3    H3   GLY   1           HT3      GLY   1 -43.293   9.251 -27.554
    4    HA2  GLY   1           HA2      GLY   1 -42.203   7.269 -27.108
    5    HA3  GLY   1           HA1      GLY   1 -41.692   7.835 -25.518
    6    H    SER   2           HN       SER   2 -42.674   5.713 -24.888
    7    HA   SER   2           HA       SER   2 -45.295   6.167 -23.802
    8    HB2  SER   2           HB2      SER   2 -45.932   3.775 -24.963
    9    HB3  SER   2           HB1      SER   2 -46.393   5.337 -25.618
   10    HG   SER   2           HG       SER   2 -45.196   3.741 -27.007
   11    H    LYS   3           HN       LYS   3 -46.033   4.274 -22.506
   12    HA   LYS   3           HA       LYS   3 -43.840   3.320 -20.922
   13    HB2  LYS   3           HB2      LYS   3 -46.770   2.559 -20.819
   14    HB3  LYS   3           HB1      LYS   3 -45.565   2.265 -19.560
   15    HG2  LYS   3           HG2      LYS   3 -45.178   4.752 -19.459
   16    HG3  LYS   3           HG1      LYS   3 -46.543   4.951 -20.554
   17    HD2  LYS   3           HD2      LYS   3 -48.032   3.832 -18.958
   18    HD3  LYS   3           HD1      LYS   3 -46.679   3.580 -17.854
   19    HE2  LYS   3           HE2      LYS   3 -46.362   6.028 -17.691
   20    HE3  LYS   3           HE1      LYS   3 -47.738   6.271 -18.767
   21    HZ1  LYS   3           HZ1      LYS   3 -48.901   6.324 -16.876
   22    HZ2  LYS   3           HZ2      LYS   3 -47.686   5.554 -15.972
   23    HZ3  LYS   3           HZ3      LYS   3 -48.765   4.634 -16.905
   24    H    THR   4           HN       THR   4 -42.654   1.590 -21.376
   25    HA   THR   4           HA       THR   4 -43.343  -0.252 -23.446
   26    HB   THR   4           HB       THR   4 -41.301  -1.491 -22.572
   27    HG1  THR   4           HG1      THR   4 -40.081  -0.202 -21.060
   28   HG21  THR   4          HG21      THR   4 -40.966   0.031 -24.371
   29   HG22  THR   4          HG22      THR   4 -39.750   0.460 -23.170
   30   HG23  THR   4          HG23      THR   4 -41.213   1.432 -23.330
   31    H    GLY   5           HN       GLY   5 -43.450  -2.621 -23.120
   32    HA2  GLY   5           HA2      GLY   5 -45.096  -3.279 -20.741
   33    HA3  GLY   5           HA1      GLY   5 -45.183  -4.091 -22.301
   34    H    THR   6           HN       THR   6 -42.048  -3.307 -21.096
   35    HA   THR   6           HA       THR   6 -41.653  -6.052 -20.055
   36    HB   THR   6           HB       THR   6 -39.377  -5.964 -21.227
   37    HG1  THR   6           HG1      THR   6 -39.972  -3.597 -21.730
   38   HG21  THR   6          HG21      THR   6 -40.386  -6.637 -23.444
   39   HG22  THR   6          HG22      THR   6 -41.953  -6.136 -22.808
   40   HG23  THR   6          HG23      THR   6 -41.077  -7.462 -22.046
   41    H    LYS   7           HN       LYS   7 -40.838  -5.976 -18.100
   42    HA   LYS   7           HA       LYS   7 -38.655  -4.240 -17.409
   43    HB2  LYS   7           HB2      LYS   7 -40.200  -2.538 -16.982
   44    HB3  LYS   7           HB1      LYS   7 -41.425  -3.665 -16.406
   45    HG2  LYS   7           HG2      LYS   7 -40.304  -4.000 -14.334
   46    HG3  LYS   7           HG1      LYS   7 -38.816  -3.253 -14.934
   47    HD2  LYS   7           HD2      LYS   7 -39.764  -1.080 -14.879
   48    HD3  LYS   7           HD1      LYS   7 -41.404  -1.709 -14.745
   49    HE2  LYS   7           HE2      LYS   7 -41.076  -2.399 -12.496
   50    HE3  LYS   7           HE1      LYS   7 -39.324  -2.250 -12.616
   51    HZ1  LYS   7           HZ1      LYS   7 -40.433  -0.408 -11.407
   52    HZ2  LYS   7           HZ2      LYS   7 -41.201   0.036 -12.856
   53    HZ3  LYS   7           HZ3      LYS   7 -39.508   0.105 -12.732
   54    H    ILE   8           HN       ILE   8 -37.672  -4.785 -15.415
   55    HA   ILE   8           HA       ILE   8 -38.798  -7.009 -13.893
   56    HB   ILE   8           HB       ILE   8 -37.467  -8.037 -15.735
   57   HG12  ILE   8          HG12      ILE   8 -36.064  -8.476 -13.089
   58   HG13  ILE   8          HG11      ILE   8 -37.738  -8.979 -13.326
   59   HG21  ILE   8          HG21      ILE   8 -35.144  -6.663 -14.336
   60   HG22  ILE   8          HG22      ILE   8 -35.749  -6.279 -15.949
   61   HG23  ILE   8          HG23      ILE   8 -35.019  -7.848 -15.629
   62   HD11  ILE   8          HD11      ILE   8 -37.167 -10.528 -15.005
   63   HD12  ILE   8          HD12      ILE   8 -35.874 -10.709 -13.821
   64   HD13  ILE   8          HD13      ILE   8 -35.595  -9.778 -15.293
   65    H    THR   9           HN       THR   9 -38.190  -7.098 -11.779
   66    HA   THR   9           HA       THR   9 -36.201  -5.109 -10.892
   67    HB   THR   9           HB       THR   9 -38.787  -5.834  -9.509
   68    HG1  THR   9           HG1      THR   9 -37.932  -3.668 -11.093
   69   HG21  THR   9          HG21      THR   9 -36.996  -5.282  -7.933
   70   HG22  THR   9          HG22      THR   9 -38.159  -3.960  -8.005
   71   HG23  THR   9          HG23      THR   9 -36.619  -3.826  -8.848
   72    H    PHE  10           HN       PHE  10 -34.755  -5.732  -9.398
   73    HA   PHE  10           HA       PHE  10 -34.940  -8.526  -8.401
   74    HB2  PHE  10           HB2      PHE  10 -32.436  -6.923  -8.996
   75    HB3  PHE  10           HB1      PHE  10 -32.524  -8.619  -8.519
   76    HD1  PHE  10           HD2      PHE  10 -33.694 -10.266 -10.065
   77    HD2  PHE  10           HD1      PHE  10 -32.670  -6.279 -11.267
   78    HE1  PHE  10           HE2      PHE  10 -33.958 -10.920 -12.441
   79    HE2  PHE  10           HE1      PHE  10 -32.925  -6.932 -13.646
   80    HZ   PHE  10           HZ       PHE  10 -33.573  -9.251 -14.233
   81    H    TYR  11           HN       TYR  11 -35.364  -8.507  -6.262
   82    HA   TYR  11           HA       TYR  11 -34.546  -6.185  -4.658
   83    HB2  TYR  11           HB2      TYR  11 -36.450  -8.482  -4.142
   84    HB3  TYR  11           HB1      TYR  11 -36.053  -7.244  -2.955
   85    HD1  TYR  11           HD1      TYR  11 -37.707  -7.890  -6.196
   86    HD2  TYR  11           HD2      TYR  11 -36.830  -4.968  -3.170
   87    HE1  TYR  11           HE1      TYR  11 -39.415  -6.376  -7.162
   88    HE2  TYR  11           HE2      TYR  11 -38.532  -3.450  -4.147
   89    HH   TYR  11           HH       TYR  11 -40.640  -3.722  -5.560
   90    H    GLU  12           HN       GLU  12 -33.158  -6.298  -3.017
   91    HA   GLU  12           HA       GLU  12 -31.235  -8.347  -2.964
   92    HB2  GLU  12           HB2      GLU  12 -31.245  -5.852  -2.061
   93    HB3  GLU  12           HB1      GLU  12 -31.703  -6.626  -0.548
   94    HG2  GLU  12           HG2      GLU  12 -29.292  -7.486  -2.183
   95    HG3  GLU  12           HG1      GLU  12 -29.214  -6.281  -0.906
   96    H    ASP  13           HN       ASP  13 -33.850  -7.571  -0.667
   97    HA   ASP  13           HA       ASP  13 -33.494 -10.167   0.625
   98    HB2  ASP  13           HB2      ASP  13 -35.192  -7.762   1.292
   99    HB3  ASP  13           HB1      ASP  13 -35.241  -9.278   2.192
  100    H    LYS  14           HN       LYS  14 -35.800 -10.981   1.388
  101    HA   LYS  14           HA       LYS  14 -37.111 -11.839  -1.036
  102    HB2  LYS  14           HB2      LYS  14 -37.395 -12.536   1.876
  103    HB3  LYS  14           HB1      LYS  14 -38.526 -13.137   0.666
  104    HG2  LYS  14           HG2      LYS  14 -36.770 -14.228  -0.562
  105    HG3  LYS  14           HG1      LYS  14 -35.531 -13.474   0.438
  106    HD2  LYS  14           HD2      LYS  14 -37.642 -15.203   1.724
  107    HD3  LYS  14           HD1      LYS  14 -36.254 -15.955   0.937
  108    HE2  LYS  14           HE2      LYS  14 -34.759 -14.506   2.357
  109    HE3  LYS  14           HE1      LYS  14 -36.196 -13.964   3.226
  110    HZ1  LYS  14           HZ1      LYS  14 -36.340 -15.875   4.324
  111    HZ2  LYS  14           HZ2      LYS  14 -34.732 -16.140   3.840
  112    HZ3  LYS  14           HZ3      LYS  14 -36.013 -16.816   2.951
  113    H    ASN  15           HN       ASN  15 -39.621 -12.125  -0.602
  114    HA   ASN  15           HA       ASN  15 -41.609 -11.031  -0.869
  115    HB2  ASN  15           HB2      ASN  15 -40.831  -9.505   1.611
  116    HB3  ASN  15           HB1      ASN  15 -42.425 -10.070   1.114
  117   HD21  ASN  15          HD21      ASN  15 -40.995 -12.727   0.290
  118   HD22  ASN  15          HD22      ASN  15 -40.840 -13.541   1.773
  119    H    PHE  16           HN       PHE  16 -39.173  -9.705  -2.011
  120    HA   PHE  16           HA       PHE  16 -38.664  -7.831  -3.152
  121    HB2  PHE  16           HB2      PHE  16 -41.377  -6.655  -2.692
  122    HB3  PHE  16           HB1      PHE  16 -40.391  -6.661  -4.153
  123    HD1  PHE  16           HD2      PHE  16 -39.910  -8.987  -5.214
  124    HD2  PHE  16           HD1      PHE  16 -43.125  -8.214  -2.480
  125    HE1  PHE  16           HE2      PHE  16 -41.095 -11.000  -6.045
  126    HE2  PHE  16           HE1      PHE  16 -44.316 -10.225  -3.311
  127    HZ   PHE  16           HZ       PHE  16 -43.302 -11.617  -5.096
  128    H    GLN  17           HN       GLN  17 -37.943  -7.841  -0.475
  129    HA   GLN  17           HA       GLN  17 -38.461  -5.078   0.438
  130    HB2  GLN  17           HB2      GLN  17 -37.593  -7.563   1.920
  131    HB3  GLN  17           HB1      GLN  17 -37.600  -5.951   2.635
  132    HG2  GLN  17           HG2      GLN  17 -39.991  -5.735   2.257
  133    HG3  GLN  17           HG1      GLN  17 -40.027  -7.268   1.382
  134   HE21  GLN  17          HE21      GLN  17 -39.103  -9.199   2.781
  135   HE22  GLN  17          HE22      GLN  17 -39.601  -9.224   4.407
  136    H    GLY  18           HN       GLY  18 -36.578  -4.216   1.743
  137    HA2  GLY  18           HA2      GLY  18 -34.390  -3.525   1.892
  138    HA3  GLY  18           HA1      GLY  18 -33.929  -5.026   1.105
  139    H    ARG  19           HN       ARG  19 -32.398  -3.941  -0.080
  140    HA   ARG  19           HA       ARG  19 -32.796  -1.694  -1.735
  141    HB2  ARG  19           HB2      ARG  19 -30.611  -3.244  -1.185
  142    HB3  ARG  19           HB1      ARG  19 -30.946  -3.754  -2.834
  143    HG2  ARG  19           HG2      ARG  19 -30.957  -1.389  -3.561
  144    HG3  ARG  19           HG1      ARG  19 -30.556  -0.898  -1.915
  145    HD2  ARG  19           HD2      ARG  19 -28.880  -2.745  -3.632
  146    HD3  ARG  19           HD1      ARG  19 -28.542  -1.038  -3.354
  147    HE   ARG  19           HE       ARG  19 -28.122  -3.218  -1.481
  148   HH11  ARG  19          HH21      ARG  19 -28.569   0.176  -1.968
  149   HH12  ARG  19          HH22      ARG  19 -27.797   0.632  -0.486
  150   HH21  ARG  19          HH11      ARG  19 -27.113  -2.633   0.467
  151   HH22  ARG  19          HH12      ARG  19 -26.972  -0.961   0.893
  152    H    ARG  20           HN       ARG  20 -32.635  -1.907  -4.309
  153    HA   ARG  20           HA       ARG  20 -33.873  -4.142  -5.497
  154    HB2  ARG  20           HB2      ARG  20 -36.029  -3.242  -6.053
  155    HB3  ARG  20           HB1      ARG  20 -35.845  -3.152  -4.302
  156    HG2  ARG  20           HG2      ARG  20 -36.413  -0.941  -4.518
  157    HG3  ARG  20           HG1      ARG  20 -34.768  -0.714  -5.117
  158    HD2  ARG  20           HD2      ARG  20 -35.776  -1.368  -7.437
  159    HD3  ARG  20           HD1      ARG  20 -37.323  -0.996  -6.683
  160    HE   ARG  20           HE       ARG  20 -35.295   0.906  -7.458
  161   HH11  ARG  20          HH21      ARG  20 -37.913   0.199  -5.312
  162   HH12  ARG  20          HH22      ARG  20 -38.314   1.860  -5.028
  163   HH21  ARG  20          HH11      ARG  20 -35.809   3.092  -7.085
  164   HH22  ARG  20          HH12      ARG  20 -37.126   3.495  -6.033
  165    H    TYR  21           HN       TYR  21 -33.980  -3.896  -7.806
  166    HA   TYR  21           HA       TYR  21 -32.781  -1.398  -8.865
  167    HB2  TYR  21           HB2      TYR  21 -31.072  -3.213  -8.771
  168    HB3  TYR  21           HB1      TYR  21 -32.129  -4.201  -9.783
  169    HD1  TYR  21           HD1      TYR  21 -30.709  -0.726  -9.715
  170    HD2  TYR  21           HD2      TYR  21 -31.773  -4.140 -12.098
  171    HE1  TYR  21           HE1      TYR  21 -29.821   0.407 -11.732
  172    HE2  TYR  21           HE2      TYR  21 -30.879  -3.008 -14.116
  173    HH   TYR  21           HH       TYR  21 -29.425  -1.259 -14.757
  174    H    ASP  22           HN       ASP  22 -33.885  -0.572 -10.552
  175    HA   ASP  22           HA       ASP  22 -35.951  -2.282 -11.840
  176    HB2  ASP  22           HB2      ASP  22 -37.270  -0.210 -12.122
  177    HB3  ASP  22           HB1      ASP  22 -36.991  -0.597 -10.425
  178    H    CYS  23           HN       CYS  23 -35.712  -2.575 -13.951
  179    HA   CYS  23           HA       CYS  23 -34.661  -0.453 -15.647
  180    HB2  CYS  23           HB2      CYS  23 -32.657  -1.737 -14.875
  181    HB3  CYS  23           HB1      CYS  23 -33.351  -3.180 -15.618
  182    HG   CYS  23           HG       CYS  23 -32.193  -0.750 -17.149
  183    H    ASP  24           HN       ASP  24 -35.398  -0.582 -17.731
  184    HA   ASP  24           HA       ASP  24 -37.075  -2.910 -18.430
  185    HB2  ASP  24           HB2      ASP  24 -38.654  -1.392 -19.491
  186    HB3  ASP  24           HB1      ASP  24 -38.458  -0.958 -17.795
  187    H    CYS  25           HN       CYS  25 -34.245  -2.084 -19.107
  188    HA   CYS  25           HA       CYS  25 -34.501  -2.459 -22.012
  189    HB2  CYS  25           HB2      CYS  25 -33.205  -0.108 -20.656
  190    HB3  CYS  25           HB1      CYS  25 -32.573  -0.691 -22.197
  191    HG   CYS  25           HG       CYS  25 -34.382   0.813 -23.062
  192    H    ASP  26           HN       ASP  26 -32.846  -3.675 -22.888
  193    HA   ASP  26           HA       ASP  26 -31.453  -5.546 -21.566
  194    HB2  ASP  26           HB2      ASP  26 -31.435  -5.350 -24.005
  195    HB3  ASP  26           HB1      ASP  26 -30.380  -3.942 -23.901
  196    H    CYS  27           HN       CYS  27 -29.276  -5.802 -20.794
  197    HA   CYS  27           HA       CYS  27 -27.673  -3.452 -20.242
  198    HB2  CYS  27           HB2      CYS  27 -29.245  -4.849 -18.094
  199    HB3  CYS  27           HB1      CYS  27 -27.701  -4.087 -17.713
  200    HG   CYS  27           HG       CYS  27 -30.142  -2.548 -17.809
  201    H    ALA  28           HN       ALA  28 -25.631  -4.036 -19.139
  202    HA   ALA  28           HA       ALA  28 -24.717  -6.675 -20.057
  203    HB1  ALA  28           HB1      ALA  28 -23.430  -4.622 -20.643
  204    HB2  ALA  28           HB2      ALA  28 -22.479  -5.793 -19.731
  205    HB3  ALA  28           HB3      ALA  28 -23.122  -4.362 -18.925
  206    H    ASP  29           HN       ASP  29 -24.395  -4.653 -17.144
  207    HA   ASP  29           HA       ASP  29 -24.780  -6.980 -15.427
  208    HB2  ASP  29           HB2      ASP  29 -22.667  -6.649 -14.216
  209    HB3  ASP  29           HB1      ASP  29 -22.378  -7.083 -15.902
  210    H    PHE  30           HN       PHE  30 -26.294  -6.234 -14.117
  211    HA   PHE  30           HA       PHE  30 -26.151  -3.461 -13.111
  212    HB2  PHE  30           HB2      PHE  30 -28.447  -3.487 -12.897
  213    HB3  PHE  30           HB1      PHE  30 -28.283  -4.671 -14.191
  214    HD1  PHE  30           HD2      PHE  30 -28.290  -7.119 -13.616
  215    HD2  PHE  30           HD1      PHE  30 -29.273  -4.099 -10.748
  216    HE1  PHE  30           HE2      PHE  30 -29.379  -8.834 -12.194
  217    HE2  PHE  30           HE1      PHE  30 -30.367  -5.802  -9.317
  218    HZ   PHE  30           HZ       PHE  30 -30.423  -8.171 -10.043
  219    H    HIS  31           HN       HIS  31 -24.827  -6.203 -12.246
  220    HA   HIS  31           HA       HIS  31 -25.674  -6.777  -9.634
  221    HB2  HIS  31           HB2      HIS  31 -24.171  -8.265 -10.849
  222    HB3  HIS  31           HB1      HIS  31 -22.907  -7.030 -10.833
  223    HD2  HIS  31           HD2      HIS  31 -21.402  -6.961  -8.485
  224    HE1  HIS  31           HE1      HIS  31 -23.810  -9.574  -6.204
  225    HE2  HIS  31           HE2      HIS  31 -21.641  -8.255  -6.228
  226    H    THR  32           HN       THR  32 -23.699  -4.253 -10.926
  227    HA   THR  32           HA       THR  32 -22.402  -3.435  -8.564
  228    HB   THR  32           HB       THR  32 -22.187  -1.214  -9.670
  229    HG1  THR  32           HG1      THR  32 -23.600  -0.717 -11.113
  230   HG21  THR  32          HG21      THR  32 -21.691  -3.664 -11.378
  231   HG22  THR  32          HG22      THR  32 -20.583  -2.955 -10.203
  232   HG23  THR  32          HG23      THR  32 -20.978  -2.080 -11.684
  233    H    TYR  33           HN       TYR  33 -25.660  -2.947  -9.707
  234    HA   TYR  33           HA       TYR  33 -26.271  -0.938  -7.686
  235    HB2  TYR  33           HB2      TYR  33 -27.996  -2.331  -9.737
  236    HB3  TYR  33           HB1      TYR  33 -28.549  -1.050  -8.659
  237    HD1  TYR  33           HD2      TYR  33 -27.221   1.186  -8.673
  238    HD2  TYR  33           HD1      TYR  33 -26.971  -1.756 -11.788
  239    HE1  TYR  33           HE2      TYR  33 -26.322   2.901 -10.222
  240    HE2  TYR  33           HE1      TYR  33 -26.067  -0.043 -13.337
  241    HH   TYR  33           HH       TYR  33 -24.702   2.303 -12.882
  242    H    LEU  34           HN       LEU  34 -26.274  -4.326  -7.931
  243    HA   LEU  34           HA       LEU  34 -27.694  -4.522  -5.369
  244    HB2  LEU  34           HB2      LEU  34 -29.258  -4.957  -7.366
  245    HB3  LEU  34           HB1      LEU  34 -28.335  -6.437  -7.605
  246    HG   LEU  34           HG       LEU  34 -28.836  -7.065  -5.242
  247   HD11  LEU  34          HD11      LEU  34 -31.022  -5.673  -4.439
  248   HD12  LEU  34          HD12      LEU  34 -30.165  -4.393  -5.294
  249   HD13  LEU  34          HD13      LEU  34 -29.387  -5.235  -3.957
  250   HD21  LEU  34          HD21      LEU  34 -31.349  -7.442  -5.666
  251   HD22  LEU  34          HD22      LEU  34 -30.230  -8.090  -6.869
  252   HD23  LEU  34          HD23      LEU  34 -31.085  -6.579  -7.179
  253    H    SER  35           HN       SER  35 -26.877  -6.059  -4.006
  254    HA   SER  35           HA       SER  35 -24.458  -7.473  -4.948
  255    HB2  SER  35           HB2      SER  35 -24.391  -5.923  -2.928
  256    HB3  SER  35           HB1      SER  35 -25.375  -7.121  -2.091
  257    HG   SER  35           HG       SER  35 -23.238  -7.593  -1.696
  258    H    ARG  36           HN       ARG  36 -27.712  -8.034  -4.316
  259    HA   ARG  36           HA       ARG  36 -27.306 -10.905  -4.431
  260    HB2  ARG  36           HB2      ARG  36 -27.287 -10.130  -1.949
  261    HB3  ARG  36           HB1      ARG  36 -29.012  -9.865  -2.183
  262    HG2  ARG  36           HG2      ARG  36 -29.191 -12.236  -3.009
  263    HG3  ARG  36           HG1      ARG  36 -27.510 -12.467  -2.532
  264    HD2  ARG  36           HD2      ARG  36 -29.746 -11.593  -0.681
  265    HD3  ARG  36           HD1      ARG  36 -29.069 -13.219  -0.760
  266    HE   ARG  36           HE       ARG  36 -27.834 -10.881   0.453
  267   HH11  ARG  36          HH21      ARG  36 -27.438 -14.064  -0.848
  268   HH12  ARG  36          HH22      ARG  36 -25.967 -14.379   0.010
  269   HH21  ARG  36          HH11      ARG  36 -25.910 -11.288   1.580
  270   HH22  ARG  36          HH12      ARG  36 -25.103 -12.807   1.384
  271    H    CYS  37           HN       CYS  37 -28.996 -11.965  -5.341
  272    HA   CYS  37           HA       CYS  37 -31.299 -10.291  -6.185
  273    HB2  CYS  37           HB2      CYS  37 -30.443 -12.837  -7.528
  274    HB3  CYS  37           HB1      CYS  37 -31.336 -11.471  -8.195
  275    HG   CYS  37           HG       CYS  37 -28.279 -11.662  -7.916
  276    H    ASN  38           HN       ASN  38 -32.872 -10.632  -4.804
  277    HA   ASN  38           HA       ASN  38 -33.655 -13.412  -4.153
  278    HB2  ASN  38           HB2      ASN  38 -33.885 -10.880  -2.526
  279    HB3  ASN  38           HB1      ASN  38 -34.741 -12.360  -2.128
  280   HD21  ASN  38          HD21      ASN  38 -33.174 -11.905  -0.107
  281   HD22  ASN  38          HD22      ASN  38 -31.675 -12.706  -0.188
  282    H    SER  39           HN       SER  39 -36.174 -12.521  -3.087
  283    HA   SER  39           HA       SER  39 -38.051 -12.972  -4.781
  284    HB2  SER  39           HB2      SER  39 -39.403 -11.052  -3.843
  285    HB3  SER  39           HB1      SER  39 -38.651 -12.109  -2.665
  286    HG   SER  39           HG       SER  39 -37.898 -10.257  -1.954
  287    H    ILE  40           HN       ILE  40 -39.029 -12.301  -6.544
  288    HA   ILE  40           HA       ILE  40 -38.223  -9.791  -7.877
  289    HB   ILE  40           HB       ILE  40 -37.832 -12.583  -8.934
  290   HG12  ILE  40          HG12      ILE  40 -35.938 -10.319  -9.490
  291   HG13  ILE  40          HG11      ILE  40 -36.053 -10.842  -7.815
  292   HG21  ILE  40          HG21      ILE  40 -37.328 -11.338 -11.167
  293   HG22  ILE  40          HG22      ILE  40 -38.334 -10.053 -10.501
  294   HG23  ILE  40          HG23      ILE  40 -39.010 -11.661 -10.751
  295   HD11  ILE  40          HD11      ILE  40 -35.312 -12.533 -10.200
  296   HD12  ILE  40          HD12      ILE  40 -35.656 -13.209  -8.608
  297   HD13  ILE  40          HD13      ILE  40 -34.297 -12.111  -8.824
  298    H    LYS  41           HN       LYS  41 -39.724  -8.939  -9.257
  299    HA   LYS  41           HA       LYS  41 -42.056 -10.497 -10.063
  300    HB2  LYS  41           HB2      LYS  41 -43.556  -8.591  -9.173
  301    HB3  LYS  41           HB1      LYS  41 -42.994  -9.820  -8.042
  302    HG2  LYS  41           HG2      LYS  41 -41.440  -8.413  -7.066
  303    HG3  LYS  41           HG1      LYS  41 -41.360  -7.340  -8.441
  304    HD2  LYS  41           HD2      LYS  41 -42.606  -6.458  -6.384
  305    HD3  LYS  41           HD1      LYS  41 -43.446  -6.333  -7.928
  306    HE2  LYS  41           HE2      LYS  41 -44.939  -8.043  -7.405
  307    HE3  LYS  41           HE1      LYS  41 -43.856  -8.786  -6.225
  308    HZ1  LYS  41           HZ1      LYS  41 -45.340  -7.742  -4.860
  309    HZ2  LYS  41           HZ2      LYS  41 -45.616  -6.456  -5.936
  310    HZ3  LYS  41           HZ3      LYS  41 -44.185  -6.511  -5.023
  311    H    VAL  42           HN       VAL  42 -41.806 -10.110 -12.234
  312    HA   VAL  42           HA       VAL  42 -40.888  -7.681 -13.262
  313    HB   VAL  42           HB       VAL  42 -42.245 -10.146 -14.312
  314   HG11  VAL  42          HG11      VAL  42 -42.013  -7.520 -15.743
  315   HG12  VAL  42          HG12      VAL  42 -43.283  -8.708 -15.804
  316   HG13  VAL  42          HG13      VAL  42 -41.778  -8.994 -16.644
  317   HG21  VAL  42          HG21      VAL  42 -40.164 -10.447 -15.487
  318   HG22  VAL  42          HG22      VAL  42 -39.775 -10.020 -13.822
  319   HG23  VAL  42          HG23      VAL  42 -39.643  -8.810 -15.096
  320    H    GLU  43           HN       GLU  43 -41.956  -6.044 -14.293
  321    HA   GLU  43           HA       GLU  43 -44.847  -5.769 -13.710
  322    HB2  GLU  43           HB2      GLU  43 -42.633  -3.714 -13.701
  323    HB3  GLU  43           HB1      GLU  43 -44.351  -3.329 -13.592
  324    HG2  GLU  43           HG2      GLU  43 -44.509  -4.793 -11.583
  325    HG3  GLU  43           HG1      GLU  43 -42.774  -5.054 -11.668
  326    H    GLY  44           HN       GLY  44 -44.177  -7.019 -16.036
  327    HA2  GLY  44           HA2      GLY  44 -45.232  -5.236 -18.013
  328    HA3  GLY  44           HA1      GLY  44 -43.517  -5.534 -18.267
  329    H    GLY  45           HN       GLY  45 -42.828  -7.521 -19.038
  330    HA2  GLY  45           HA2      GLY  45 -44.880  -9.582 -19.557
  331    HA3  GLY  45           HA1      GLY  45 -43.888  -8.974 -20.875
  332    H    THR  46           HN       THR  46 -42.710 -10.818 -21.356
  333    HA   THR  46           HA       THR  46 -41.527 -12.399 -19.250
  334    HB   THR  46           HB       THR  46 -41.175 -12.550 -22.249
  335    HG1  THR  46           HG1      THR  46 -43.290 -12.943 -21.511
  336   HG21  THR  46          HG21      THR  46 -39.330 -13.699 -21.355
  337   HG22  THR  46          HG22      THR  46 -40.537 -14.967 -21.549
  338   HG23  THR  46          HG23      THR  46 -40.244 -14.269 -19.958
  339    H    TRP  47           HN       TRP  47 -39.162 -12.958 -19.378
  340    HA   TRP  47           HA       TRP  47 -37.401 -10.886 -20.391
  341    HB2  TRP  47           HB2      TRP  47 -38.103 -11.171 -17.505
  342    HB3  TRP  47           HB1      TRP  47 -36.408 -10.872 -17.877
  343    HD1  TRP  47           HD1      TRP  47 -39.653  -9.198 -17.483
  344    HE1  TRP  47           HE1      TRP  47 -39.431  -6.693 -18.041
  345    HE3  TRP  47           HE3      TRP  47 -35.111  -9.210 -19.790
  346    HZ2  TRP  47           HZ2      TRP  47 -37.623  -4.948 -19.388
  347    HZ3  TRP  47           HZ3      TRP  47 -34.166  -7.114 -20.714
  348    HH2  TRP  47           HH2      TRP  47 -35.414  -4.984 -20.517
  349    H    ALA  48           HN       ALA  48 -35.198 -11.429 -20.219
  350    HA   ALA  48           HA       ALA  48 -34.664 -14.313 -19.772
  351    HB1  ALA  48           HB1      ALA  48 -34.304 -13.938 -22.084
  352    HB2  ALA  48           HB2      ALA  48 -32.696 -13.817 -21.372
  353    HB3  ALA  48           HB3      ALA  48 -33.580 -12.354 -21.801
  354    H    VAL  49           HN       VAL  49 -33.426 -14.636 -18.037
  355    HA   VAL  49           HA       VAL  49 -31.599 -12.455 -17.163
  356    HB   VAL  49           HB       VAL  49 -31.877 -13.575 -14.880
  357   HG11  VAL  49          HG11      VAL  49 -34.402 -12.402 -16.078
  358   HG12  VAL  49          HG12      VAL  49 -33.000 -11.425 -15.642
  359   HG13  VAL  49          HG13      VAL  49 -33.880 -12.312 -14.397
  360   HG21  VAL  49          HG21      VAL  49 -34.309 -14.749 -16.255
  361   HG22  VAL  49          HG22      VAL  49 -33.873 -14.933 -14.558
  362   HG23  VAL  49          HG23      VAL  49 -32.877 -15.678 -15.810
  363    H    TYR  50           HN       TYR  50 -29.507 -12.893 -17.017
  364    HA   TYR  50           HA       TYR  50 -28.601 -15.673 -17.462
  365    HB2  TYR  50           HB2      TYR  50 -27.163 -13.017 -17.753
  366    HB3  TYR  50           HB1      TYR  50 -26.453 -14.598 -18.077
  367    HD1  TYR  50           HD1      TYR  50 -29.204 -12.298 -19.080
  368    HD2  TYR  50           HD2      TYR  50 -26.821 -15.706 -20.150
  369    HE1  TYR  50           HE1      TYR  50 -30.172 -12.256 -21.363
  370    HE2  TYR  50           HE2      TYR  50 -27.792 -15.668 -22.434
  371    HH   TYR  50           HH       TYR  50 -29.036 -13.363 -23.860
  372    H    GLU  51           HN       GLU  51 -28.253 -16.693 -15.571
  373    HA   GLU  51           HA       GLU  51 -27.987 -15.837 -13.044
  374    HB2  GLU  51           HB2      GLU  51 -27.832 -18.217 -13.790
  375    HB3  GLU  51           HB1      GLU  51 -26.149 -17.922 -14.232
  376    HG2  GLU  51           HG2      GLU  51 -25.743 -17.187 -11.839
  377    HG3  GLU  51           HG1      GLU  51 -27.372 -17.747 -11.462
  378    H    ARG  52           HN       ARG  52 -25.432 -15.684 -15.477
  379    HA   ARG  52           HA       ARG  52 -23.699 -14.274 -13.547
  380    HB2  ARG  52           HB2      ARG  52 -22.997 -15.797 -16.063
  381    HB3  ARG  52           HB1      ARG  52 -21.843 -14.925 -15.048
  382    HG2  ARG  52           HG2      ARG  52 -22.369 -16.342 -13.146
  383    HG3  ARG  52           HG1      ARG  52 -23.640 -17.155 -14.060
  384    HD2  ARG  52           HD2      ARG  52 -21.223 -18.221 -13.865
  385    HD3  ARG  52           HD1      ARG  52 -22.136 -18.351 -15.361
  386    HE   ARG  52           HE       ARG  52 -20.506 -15.997 -15.317
  387   HH11  ARG  52          HH21      ARG  52 -20.498 -19.430 -15.742
  388   HH12  ARG  52          HH22      ARG  52 -19.092 -19.441 -16.754
  389   HH21  ARG  52          HH11      ARG  52 -18.660 -16.002 -16.641
  390   HH22  ARG  52          HH12      ARG  52 -18.052 -17.500 -17.263
  391    HA   PRO  53           HA       PRO  53 -24.151 -10.651 -16.088
  392    HB2  PRO  53           HB2      PRO  53 -21.801  -9.359 -15.528
  393    HB3  PRO  53           HB1      PRO  53 -23.140  -9.454 -14.368
  394    HG2  PRO  53           HG2      PRO  53 -20.658 -11.112 -14.530
  395    HG3  PRO  53           HG1      PRO  53 -21.440 -10.390 -13.109
  396    HD2  PRO  53           HD2      PRO  53 -21.762 -13.006 -13.732
  397    HD3  PRO  53           HD1      PRO  53 -23.066 -12.056 -12.984
  398    H    ASN  54           HN       ASN  54 -23.357  -9.637 -17.976
  399    HA   ASN  54           HA       ASN  54 -22.095  -9.379 -19.888
  400    HB2  ASN  54           HB2      ASN  54 -20.471 -11.840 -19.278
  401    HB3  ASN  54           HB1      ASN  54 -20.028 -10.420 -20.212
  402   HD21  ASN  54          HD21      ASN  54 -19.600 -11.862 -17.188
  403   HD22  ASN  54          HD22      ASN  54 -19.119 -10.485 -16.319
  404    H    PHE  55           HN       PHE  55 -24.043 -11.874 -18.941
  405    HA   PHE  55           HA       PHE  55 -25.579 -13.044 -20.194
  406    HB2  PHE  55           HB2      PHE  55 -23.925 -12.663 -22.688
  407    HB3  PHE  55           HB1      PHE  55 -25.640 -13.016 -22.543
  408    HD1  PHE  55           HD2      PHE  55 -26.869 -11.212 -20.835
  409    HD2  PHE  55           HD1      PHE  55 -23.489 -10.458 -23.380
  410    HE1  PHE  55           HE2      PHE  55 -27.404  -8.794 -20.829
  411    HE2  PHE  55           HE1      PHE  55 -24.027  -8.036 -23.371
  412    HZ   PHE  55           HZ       PHE  55 -25.990  -7.208 -22.099
  413    H    ALA  56           HN       ALA  56 -24.170 -14.438 -18.678
  414    HA   ALA  56           HA       ALA  56 -23.393 -16.815 -20.228
  415    HB1  ALA  56           HB1      ALA  56 -21.284 -15.578 -19.787
  416    HB2  ALA  56           HB2      ALA  56 -21.339 -17.133 -18.954
  417    HB3  ALA  56           HB3      ALA  56 -21.636 -15.641 -18.059
  418    H    GLY  57           HN       GLY  57 -23.012 -18.708 -18.643
  419    HA2  GLY  57           HA2      GLY  57 -23.611 -19.925 -16.745
  420    HA3  GLY  57           HA1      GLY  57 -24.392 -18.488 -16.091
  421    H    TYR  58           HN       TYR  58 -26.164 -19.892 -15.503
  422    HA   TYR  58           HA       TYR  58 -27.692 -21.302 -17.462
  423    HB2  TYR  58           HB2      TYR  58 -28.767 -20.239 -14.850
  424    HB3  TYR  58           HB1      TYR  58 -29.242 -21.702 -15.712
  425    HD1  TYR  58           HD2      TYR  58 -26.497 -22.824 -16.378
  426    HD2  TYR  58           HD1      TYR  58 -28.050 -21.086 -12.764
  427    HE1  TYR  58           HE2      TYR  58 -24.845 -24.095 -15.059
  428    HE2  TYR  58           HE1      TYR  58 -26.388 -22.366 -11.445
  429    HH   TYR  58           HH       TYR  58 -24.357 -24.814 -12.921
  430    H    MET  59           HN       MET  59 -29.373 -20.673 -18.682
  431    HA   MET  59           HA       MET  59 -30.056 -17.783 -18.657
  432    HB2  MET  59           HB2      MET  59 -30.164 -19.834 -20.885
  433    HB3  MET  59           HB1      MET  59 -30.679 -18.153 -21.028
  434    HG2  MET  59           HG2      MET  59 -28.403 -17.410 -20.413
  435    HG3  MET  59           HG1      MET  59 -27.890 -19.090 -20.298
  436    HE1  MET  59           HE1      MET  59 -26.050 -18.007 -23.434
  437    HE2  MET  59           HE2      MET  59 -26.028 -19.255 -22.191
  438    HE3  MET  59           HE3      MET  59 -26.178 -17.561 -21.727
  439    H    TYR  60           HN       TYR  60 -31.758 -17.953 -17.120
  440    HA   TYR  60           HA       TYR  60 -34.019 -19.669 -17.869
  441    HB2  TYR  60           HB2      TYR  60 -33.295 -19.789 -15.516
  442    HB3  TYR  60           HB1      TYR  60 -33.562 -18.059 -15.348
  443    HD1  TYR  60           HD1      TYR  60 -35.617 -20.799 -16.971
  444    HD2  TYR  60           HD2      TYR  60 -35.432 -17.711 -13.979
  445    HE1  TYR  60           HE1      TYR  60 -37.973 -21.223 -16.390
  446    HE2  TYR  60           HE2      TYR  60 -37.805 -18.152 -13.404
  447    HH   TYR  60           HH       TYR  60 -39.908 -19.558 -15.220
  448    H    ILE  61           HN       ILE  61 -36.031 -18.877 -18.289
  449    HA   ILE  61           HA       ILE  61 -36.120 -16.010 -19.033
  450    HB   ILE  61           HB       ILE  61 -37.753 -18.395 -19.939
  451   HG12  ILE  61          HG12      ILE  61 -36.761 -17.750 -22.166
  452   HG13  ILE  61          HG11      ILE  61 -35.751 -16.577 -21.323
  453   HG21  ILE  61          HG21      ILE  61 -38.091 -15.438 -20.412
  454   HG22  ILE  61          HG22      ILE  61 -39.303 -16.622 -19.940
  455   HG23  ILE  61          HG23      ILE  61 -38.673 -16.617 -21.583
  456   HD11  ILE  61          HD11      ILE  61 -35.695 -19.386 -20.286
  457   HD12  ILE  61          HD12      ILE  61 -34.400 -18.196 -20.406
  458   HD13  ILE  61          HD13      ILE  61 -34.915 -19.081 -21.838
  459    H    LEU  62           HN       LEU  62 -36.682 -15.139 -17.000
  460    HA   LEU  62           HA       LEU  62 -38.750 -16.181 -15.370
  461    HB2  LEU  62           HB2      LEU  62 -36.846 -14.020 -15.285
  462    HB3  LEU  62           HB1      LEU  62 -38.424 -13.380 -14.843
  463    HG   LEU  62           HG       LEU  62 -37.296 -15.904 -13.585
  464   HD11  LEU  62          HD11      LEU  62 -35.711 -14.183 -13.056
  465   HD12  LEU  62          HD12      LEU  62 -36.755 -14.363 -11.648
  466   HD13  LEU  62          HD13      LEU  62 -36.992 -13.010 -12.752
  467   HD21  LEU  62          HD21      LEU  62 -39.219 -14.014 -12.263
  468   HD22  LEU  62          HD22      LEU  62 -39.091 -15.768 -12.134
  469   HD23  LEU  62          HD23      LEU  62 -39.841 -15.044 -13.553
  470    HA   PRO  63           HA       PRO  63 -41.881 -14.363 -18.129
  471    HB2  PRO  63           HB2      PRO  63 -44.011 -15.852 -17.407
  472    HB3  PRO  63           HB1      PRO  63 -42.688 -16.513 -18.389
  473    HG2  PRO  63           HG2      PRO  63 -43.235 -16.863 -15.478
  474    HG3  PRO  63           HG1      PRO  63 -42.633 -18.037 -16.662
  475    HD2  PRO  63           HD2      PRO  63 -41.016 -16.614 -14.862
  476    HD3  PRO  63           HD1      PRO  63 -40.448 -17.406 -16.338
  477    H    GLN  64           HN       GLN  64 -43.906 -13.150 -17.872
  478    HA   GLN  64           HA       GLN  64 -43.876 -11.295 -15.798
  479    HB2  GLN  64           HB2      GLN  64 -45.193 -11.377 -18.084
  480    HB3  GLN  64           HB1      GLN  64 -46.484 -12.066 -17.100
  481    HG2  GLN  64           HG2      GLN  64 -45.159  -9.367 -16.798
  482    HG3  GLN  64           HG1      GLN  64 -46.850  -9.701 -17.126
  483   HE21  GLN  64          HE21      GLN  64 -44.671  -8.976 -14.618
  484   HE22  GLN  64          HE22      GLN  64 -45.648  -9.450 -13.314
  485    H    GLY  65           HN       GLY  65 -44.197 -11.594 -13.684
  486    HA2  GLY  65           HA2      GLY  65 -46.487 -12.571 -12.493
  487    HA3  GLY  65           HA1      GLY  65 -45.401 -13.951 -12.608
  488    H    GLU  66           HN       GLU  66 -45.951 -13.433 -10.137
  489    HA   GLU  66           HA       GLU  66 -43.942 -11.585  -9.041
  490    HB2  GLU  66           HB2      GLU  66 -46.327 -12.944  -7.783
  491    HB3  GLU  66           HB1      GLU  66 -45.169 -11.940  -6.902
  492    HG2  GLU  66           HG2      GLU  66 -45.671 -10.040  -8.372
  493    HG3  GLU  66           HG1      GLU  66 -46.796 -11.036  -9.296
  494    H    TYR  67           HN       TYR  67 -42.552 -12.276  -7.351
  495    HA   TYR  67           HA       TYR  67 -42.296 -15.136  -6.872
  496    HB2  TYR  67           HB2      TYR  67 -39.934 -13.579  -7.926
  497    HB3  TYR  67           HB1      TYR  67 -39.981 -15.270  -7.500
  498    HD1  TYR  67           HD1      TYR  67 -41.587 -12.814  -9.880
  499    HD2  TYR  67           HD2      TYR  67 -40.591 -16.913  -9.092
  500    HE1  TYR  67           HE1      TYR  67 -42.348 -13.426 -12.130
  501    HE2  TYR  67           HE2      TYR  67 -41.366 -17.521 -11.355
  502    HH   TYR  67           HH       TYR  67 -42.787 -15.088 -13.524
  503    HA   PRO  68           HA       PRO  68 -41.933 -12.501  -3.085
  504    HB2  PRO  68           HB2      PRO  68 -42.692 -15.132  -1.891
  505    HB3  PRO  68           HB1      PRO  68 -43.353 -13.517  -1.573
  506    HG2  PRO  68           HG2      PRO  68 -44.704 -15.313  -3.011
  507    HG3  PRO  68           HG1      PRO  68 -44.756 -13.584  -3.404
  508    HD2  PRO  68           HD2      PRO  68 -43.264 -15.787  -4.789
  509    HD3  PRO  68           HD1      PRO  68 -44.031 -14.338  -5.477
  510    H    GLU  69           HN       GLU  69 -40.349 -15.373  -4.146
  511    HA   GLU  69           HA       GLU  69 -38.050 -14.756  -2.477
  512    HB2  GLU  69           HB2      GLU  69 -39.499 -17.418  -2.360
  513    HB3  GLU  69           HB1      GLU  69 -37.873 -17.147  -1.735
  514    HG2  GLU  69           HG2      GLU  69 -38.791 -15.346  -0.265
  515    HG3  GLU  69           HG1      GLU  69 -40.409 -15.756  -0.824
  516    H    TYR  70           HN       TYR  70 -36.165 -16.018  -3.191
  517    HA   TYR  70           HA       TYR  70 -35.982 -16.084  -6.005
  518    HB2  TYR  70           HB2      TYR  70 -33.727 -17.097  -5.598
  519    HB3  TYR  70           HB1      TYR  70 -34.009 -15.597  -4.729
  520    HD1  TYR  70           HD2      TYR  70 -34.824 -15.755  -2.268
  521    HD2  TYR  70           HD1      TYR  70 -33.126 -19.060  -4.435
  522    HE1  TYR  70           HE2      TYR  70 -34.387 -16.926  -0.135
  523    HE2  TYR  70           HE1      TYR  70 -32.670 -20.223  -2.293
  524    HH   TYR  70           HH       TYR  70 -32.762 -20.097  -0.076
  525    H    GLN  71           HN       GLN  71 -35.955 -18.750  -3.633
  526    HA   GLN  71           HA       GLN  71 -35.665 -20.961  -5.190
  527    HB2  GLN  71           HB2      GLN  71 -37.765 -20.731  -3.032
  528    HB3  GLN  71           HB1      GLN  71 -36.939 -22.198  -3.569
  529    HG2  GLN  71           HG2      GLN  71 -34.774 -21.211  -2.847
  530    HG3  GLN  71           HG1      GLN  71 -35.651 -19.802  -2.246
  531   HE21  GLN  71          HE21      GLN  71 -37.109 -20.108  -0.421
  532   HE22  GLN  71          HE22      GLN  71 -36.942 -21.455   0.611
  533    H    ARG  72           HN       ARG  72 -38.081 -18.698  -5.577
  534    HA   ARG  72           HA       ARG  72 -40.166 -20.386  -6.561
  535    HB2  ARG  72           HB2      ARG  72 -40.284 -18.043  -5.500
  536    HB3  ARG  72           HB1      ARG  72 -39.806 -17.461  -7.080
  537    HG2  ARG  72           HG2      ARG  72 -42.147 -17.398  -7.224
  538    HG3  ARG  72           HG1      ARG  72 -41.770 -18.941  -7.976
  539    HD2  ARG  72           HD2      ARG  72 -43.191 -19.882  -6.468
  540    HD3  ARG  72           HD1      ARG  72 -41.981 -19.549  -5.231
  541    HE   ARG  72           HE       ARG  72 -43.301 -17.774  -4.492
  542   HH11  ARG  72          HH21      ARG  72 -44.310 -18.907  -7.598
  543   HH12  ARG  72          HH22      ARG  72 -45.770 -17.977  -7.621
  544   HH21  ARG  72          HH11      ARG  72 -45.215 -16.539  -4.514
  545   HH22  ARG  72          HH12      ARG  72 -46.282 -16.637  -5.874
  546    H    TRP  73           HN       TRP  73 -37.173 -19.545  -7.807
  547    HA   TRP  73           HA       TRP  73 -38.125 -19.790 -10.633
  548    HB2  TRP  73           HB2      TRP  73 -36.094 -18.564 -11.293
  549    HB3  TRP  73           HB1      TRP  73 -37.138 -17.603 -10.254
  550    HD1  TRP  73           HD1      TRP  73 -35.365 -20.062  -8.164
  551    HE1  TRP  73           HE1      TRP  73 -33.420 -19.026  -6.953
  552    HE3  TRP  73           HE3      TRP  73 -35.046 -15.709 -10.759
  553    HZ2  TRP  73           HZ2      TRP  73 -31.883 -16.627  -7.054
  554    HZ3  TRP  73           HZ3      TRP  73 -33.297 -14.058 -10.175
  555    HH2  TRP  73           HH2      TRP  73 -31.714 -14.517  -8.329
  556    H    MET  74           HN       MET  74 -37.360 -21.809  -8.534
  557    HA   MET  74           HA       MET  74 -36.557 -23.957  -8.700
  558    HB2  MET  74           HB2      MET  74 -34.870 -23.029 -11.039
  559    HB3  MET  74           HB1      MET  74 -34.999 -24.679 -10.445
  560    HG2  MET  74           HG2      MET  74 -37.409 -23.091 -11.334
  561    HG3  MET  74           HG1      MET  74 -36.475 -24.107 -12.435
  562    HE1  MET  74           HE1      MET  74 -39.650 -24.172 -11.289
  563    HE2  MET  74           HE2      MET  74 -39.893 -25.902 -11.523
  564    HE3  MET  74           HE3      MET  74 -39.015 -24.971 -12.736
  565    H    GLY  75           HN       GLY  75 -35.487 -21.609  -7.259
  566    HA2  GLY  75           HA2      GLY  75 -33.545 -20.901  -6.128
  567    HA3  GLY  75           HA1      GLY  75 -33.686 -22.564  -5.566
  568    H    LEU  76           HN       LEU  76 -32.658 -21.163  -8.692
  569    HA   LEU  76           HA       LEU  76 -30.522 -23.056  -8.993
  570    HB2  LEU  76           HB2      LEU  76 -30.941 -20.473 -10.499
  571    HB3  LEU  76           HB1      LEU  76 -30.082 -21.907 -11.060
  572    HG   LEU  76           HG       LEU  76 -33.030 -21.868 -10.378
  573   HD11  LEU  76          HD11      LEU  76 -32.783 -20.451 -12.282
  574   HD12  LEU  76          HD12      LEU  76 -33.262 -22.022 -12.920
  575   HD13  LEU  76          HD13      LEU  76 -31.575 -21.513 -13.005
  576   HD21  LEU  76          HD21      LEU  76 -32.196 -24.105 -10.237
  577   HD22  LEU  76          HD22      LEU  76 -31.160 -23.886 -11.645
  578   HD23  LEU  76          HD23      LEU  76 -32.908 -23.984 -11.843
  579    H    ASN  77           HN       ASN  77 -30.616 -20.837  -6.790
  580    HA   ASN  77           HA       ASN  77 -28.655 -20.260  -5.518
  581    HB2  ASN  77           HB2      ASN  77 -27.050 -20.954  -7.318
  582    HB3  ASN  77           HB1      ASN  77 -27.405 -19.438  -8.148
  583   HD21  ASN  77          HD21      ASN  77 -26.647 -20.338  -4.730
  584   HD22  ASN  77          HD22      ASN  77 -25.480 -19.113  -4.537
  585    H    ASP  78           HN       ASP  78 -27.887 -18.042  -5.015
  586    HA   ASP  78           HA       ASP  78 -29.957 -16.087  -5.744
  587    HB2  ASP  78           HB2      ASP  78 -29.103 -14.797  -3.860
  588    HB3  ASP  78           HB1      ASP  78 -29.467 -16.446  -3.357
  589    H    ARG  79           HN       ARG  79 -28.632 -16.293  -7.921
  590    HA   ARG  79           HA       ARG  79 -26.819 -13.967  -7.986
  591    HB2  ARG  79           HB2      ARG  79 -25.579 -16.214  -8.006
  592    HB3  ARG  79           HB1      ARG  79 -26.297 -16.469  -9.593
  593    HG2  ARG  79           HG2      ARG  79 -24.276 -15.467 -10.175
  594    HG3  ARG  79           HG1      ARG  79 -25.337 -14.064 -10.103
  595    HD2  ARG  79           HD2      ARG  79 -24.568 -13.568  -7.828
  596    HD3  ARG  79           HD1      ARG  79 -23.579 -15.022  -7.822
  597    HE   ARG  79           HE       ARG  79 -22.998 -12.521  -9.204
  598   HH11  ARG  79          HH21      ARG  79 -22.354 -15.901  -8.818
  599   HH12  ARG  79          HH22      ARG  79 -20.758 -15.812  -9.482
  600   HH21  ARG  79          HH11      ARG  79 -20.903 -12.400 -10.077
  601   HH22  ARG  79          HH12      ARG  79 -19.936 -13.832 -10.192
  602    H    LEU  80           HN       LEU  80 -27.772 -12.516  -9.272
  603    HA   LEU  80           HA       LEU  80 -28.828 -13.418 -11.858
  604    HB2  LEU  80           HB2      LEU  80 -30.601 -13.089  -9.860
  605    HB3  LEU  80           HB1      LEU  80 -30.439 -11.399 -10.333
  606    HG   LEU  80           HG       LEU  80 -32.293 -12.378 -11.550
  607   HD11  LEU  80          HD11      LEU  80 -31.723 -11.609 -13.679
  608   HD12  LEU  80          HD12      LEU  80 -30.081 -12.249 -13.589
  609   HD13  LEU  80          HD13      LEU  80 -30.527 -10.816 -12.661
  610   HD21  LEU  80          HD21      LEU  80 -30.991 -14.761 -11.435
  611   HD22  LEU  80          HD22      LEU  80 -30.573 -14.292 -13.082
  612   HD23  LEU  80          HD23      LEU  80 -32.263 -14.424 -12.605
  613    H    SER  81           HN       SER  81 -28.165 -12.171 -13.441
  614    HA   SER  81           HA       SER  81 -27.002  -9.521 -12.776
  615    HB2  SER  81           HB2      SER  81 -25.373  -9.882 -14.337
  616    HB3  SER  81           HB1      SER  81 -25.645 -11.541 -13.831
  617    HG   SER  81           HG       SER  81 -26.465 -11.965 -15.725
  618    H    SER  82           HN       SER  82 -26.789  -8.562 -15.420
  619    HA   SER  82           HA       SER  82 -29.091  -7.164 -15.785
  620    HB2  SER  82           HB2      SER  82 -28.397  -7.027 -18.225
  621    HB3  SER  82           HB1      SER  82 -27.178  -6.548 -17.050
  622    HG   SER  82           HG       SER  82 -27.153  -8.572 -18.849
  623    H    CYS  83           HN       CYS  83 -30.365  -7.384 -18.032
  624    HA   CYS  83           HA       CYS  83 -31.235 -10.127 -18.495
  625    HB2  CYS  83           HB2      CYS  83 -33.510  -9.765 -17.885
  626    HB3  CYS  83           HB1      CYS  83 -32.545  -9.175 -16.525
  627    HG   CYS  83           HG       CYS  83 -33.650  -6.990 -16.872
  628    H    ARG  84           HN       ARG  84 -32.492 -10.344 -20.438
  629    HA   ARG  84           HA       ARG  84 -32.466  -7.948 -22.194
  630    HB2  ARG  84           HB2      ARG  84 -32.145 -10.867 -22.935
  631    HB3  ARG  84           HB1      ARG  84 -32.160  -9.509 -24.063
  632    HG2  ARG  84           HG2      ARG  84 -30.181  -8.555 -22.962
  633    HG3  ARG  84           HG1      ARG  84 -30.168  -9.887 -21.807
  634    HD2  ARG  84           HD2      ARG  84 -28.562 -10.398 -23.534
  635    HD3  ARG  84           HD1      ARG  84 -29.946 -11.467 -23.753
  636    HE   ARG  84           HE       ARG  84 -30.280  -9.093 -25.288
  637   HH11  ARG  84          HH21      ARG  84 -28.498 -12.057 -25.103
  638   HH12  ARG  84          HH22      ARG  84 -28.234 -12.168 -26.811
  639   HH21  ARG  84          HH11      ARG  84 -29.934  -9.231 -27.529
  640   HH22  ARG  84          HH12      ARG  84 -29.046 -10.565 -28.186
  641    H    ALA  85           HN       ALA  85 -34.417  -7.326 -22.909
  642    HA   ALA  85           HA       ALA  85 -36.807  -8.548 -22.053
  643    HB1  ALA  85           HB1      ALA  85 -36.322  -6.596 -24.316
  644    HB2  ALA  85           HB2      ALA  85 -36.740  -6.191 -22.652
  645    HB3  ALA  85           HB3      ALA  85 -37.911  -7.020 -23.680
  646    H    VAL  86           HN       VAL  86 -37.932 -10.233 -22.821
  647    HA   VAL  86           HA       VAL  86 -37.369 -11.152 -25.606
  648    HB   VAL  86           HB       VAL  86 -37.740 -12.793 -23.085
  649   HG11  VAL  86          HG11      VAL  86 -38.972 -13.937 -24.792
  650   HG12  VAL  86          HG12      VAL  86 -37.395 -14.727 -24.723
  651   HG13  VAL  86          HG13      VAL  86 -37.746 -13.570 -26.007
  652   HG21  VAL  86          HG21      VAL  86 -35.457 -12.281 -25.006
  653   HG22  VAL  86          HG22      VAL  86 -35.510 -13.748 -24.033
  654   HG23  VAL  86          HG23      VAL  86 -35.462 -12.173 -23.246
  655    H    HIS  87           HN       HIS  87 -39.092 -11.437 -26.871
  656    HA   HIS  87           HA       HIS  87 -41.780 -11.125 -25.679
  657    HB2  HIS  87           HB2      HIS  87 -40.842 -10.902 -28.554
  658    HB3  HIS  87           HB1      HIS  87 -42.496 -10.643 -27.996
  659    HD2  HIS  87           HD2      HIS  87 -39.177  -8.681 -28.260
  660    HE1  HIS  87           HE1      HIS  87 -41.787  -6.339 -25.905
  661    HE2  HIS  87           HE2      HIS  87 -39.568  -6.354 -27.141
  662    H    LEU  88           HN       LEU  88 -43.532 -12.442 -26.578
  663    HA   LEU  88           HA       LEU  88 -42.785 -15.228 -26.614
  664    HB2  LEU  88           HB2      LEU  88 -45.604 -14.357 -27.155
  665    HB3  LEU  88           HB1      LEU  88 -45.020 -15.672 -26.137
  666    HG   LEU  88           HG       LEU  88 -44.851 -12.714 -25.487
  667   HD11  LEU  88          HD11      LEU  88 -46.388 -14.853 -24.028
  668   HD12  LEU  88          HD12      LEU  88 -47.102 -13.959 -25.370
  669   HD13  LEU  88          HD13      LEU  88 -46.568 -13.102 -23.929
  670   HD21  LEU  88          HD21      LEU  88 -44.163 -13.719 -23.209
  671   HD22  LEU  88          HD22      LEU  88 -42.942 -13.727 -24.476
  672   HD23  LEU  88          HD23      LEU  88 -43.830 -15.201 -24.099
  673    HA   PRO  89           HA       PRO  89 -42.741 -15.745 -31.023
  674    HB2  PRO  89           HB2      PRO  89 -43.618 -18.335 -31.298
  675    HB3  PRO  89           HB1      PRO  89 -41.997 -17.915 -30.706
  676    HG2  PRO  89           HG2      PRO  89 -44.441 -18.673 -29.155
  677    HG3  PRO  89           HG1      PRO  89 -42.756 -19.180 -28.926
  678    HD2  PRO  89           HD2      PRO  89 -43.885 -17.245 -27.386
  679    HD3  PRO  89           HD1      PRO  89 -42.165 -17.212 -27.821
  680    H    SER  90           HN       SER  90 -44.070 -15.739 -32.847
  681    HA   SER  90           HA       SER  90 -46.838 -16.365 -32.788
  682    HB2  SER  90           HB2      SER  90 -47.848 -14.235 -32.752
  683    HB3  SER  90           HB1      SER  90 -46.683 -14.194 -31.432
  684    HG   SER  90           HG       SER  90 -45.231 -13.165 -32.872
  685    H    GLY  91           HN       GLY  91 -44.024 -15.177 -34.314
  686    HA2  GLY  91           HA2      GLY  91 -44.967 -14.303 -36.758
  687    HA3  GLY  91           HA1      GLY  91 -43.409 -15.092 -36.526
  688    H    GLY  92           HN       GLY  92 -45.503 -17.280 -35.420
  689    HA2  GLY  92           HA2      GLY  92 -46.534 -18.323 -37.920
  690    HA3  GLY  92           HA1      GLY  92 -45.198 -19.249 -37.236
  691    H    GLN  93           HN       GLN  93 -45.449 -19.864 -34.940
  692    HA   GLN  93           HA       GLN  93 -47.804 -19.883 -33.490
  693    HB2  GLN  93           HB2      GLN  93 -48.500 -22.344 -34.083
  694    HB3  GLN  93           HB1      GLN  93 -49.074 -21.013 -35.088
  695    HG2  GLN  93           HG2      GLN  93 -47.743 -21.600 -36.884
  696    HG3  GLN  93           HG1      GLN  93 -46.437 -22.191 -35.868
  697   HE21  GLN  93          HE21      GLN  93 -47.141 -24.312 -34.571
  698   HE22  GLN  93          HE22      GLN  93 -47.988 -25.463 -35.498
  699    H    TYR  94           HN       TYR  94 -46.698 -23.077 -34.116
  700    HA   TYR  94           HA       TYR  94 -44.459 -23.009 -32.300
  701    HB2  TYR  94           HB2      TYR  94 -46.605 -22.948 -30.870
  702    HB3  TYR  94           HB1      TYR  94 -46.848 -24.609 -31.398
  703    HD1  TYR  94           HD1      TYR  94 -44.243 -22.369 -29.934
  704    HD2  TYR  94           HD2      TYR  94 -45.805 -26.349 -30.217
  705    HE1  TYR  94           HE1      TYR  94 -42.612 -23.128 -28.237
  706    HE2  TYR  94           HE2      TYR  94 -44.178 -27.118 -28.516
  707    HH   TYR  94           HH       TYR  94 -41.836 -24.848 -27.073
  708    H    LYS  95           HN       LYS  95 -43.093 -24.337 -33.342
  709    HA   LYS  95           HA       LYS  95 -43.889 -27.060 -33.938
  710    HB2  LYS  95           HB2      LYS  95 -44.639 -25.776 -35.936
  711    HB3  LYS  95           HB1      LYS  95 -42.980 -25.240 -36.177
  712    HG2  LYS  95           HG2      LYS  95 -43.442 -27.150 -37.623
  713    HG3  LYS  95           HG1      LYS  95 -42.266 -27.615 -36.391
  714    HD2  LYS  95           HD2      LYS  95 -43.773 -28.965 -35.246
  715    HD3  LYS  95           HD1      LYS  95 -45.183 -28.049 -35.797
  716    HE2  LYS  95           HE2      LYS  95 -44.910 -30.354 -36.828
  717    HE3  LYS  95           HE1      LYS  95 -45.079 -29.029 -37.974
  718    HZ1  LYS  95           HZ1      LYS  95 -42.531 -30.294 -37.127
  719    HZ2  LYS  95           HZ2      LYS  95 -42.655 -28.955 -38.165
  720    HZ3  LYS  95           HZ3      LYS  95 -43.282 -30.463 -38.639
  721    H    ILE  96           HN       ILE  96 -42.220 -28.411 -33.653
  722    HA   ILE  96           HA       ILE  96 -39.461 -27.354 -33.834
  723    HB   ILE  96           HB       ILE  96 -39.834 -27.274 -31.519
  724   HG12  ILE  96          HG12      ILE  96 -38.792 -30.087 -31.815
  725   HG13  ILE  96          HG11      ILE  96 -37.835 -28.696 -32.308
  726   HG21  ILE  96          HG21      ILE  96 -40.945 -29.087 -30.256
  727   HG22  ILE  96          HG22      ILE  96 -41.172 -29.978 -31.758
  728   HG23  ILE  96          HG23      ILE  96 -42.009 -28.449 -31.508
  729   HD11  ILE  96          HD11      ILE  96 -38.927 -29.248 -29.537
  730   HD12  ILE  96          HD12      ILE  96 -38.119 -27.750 -29.999
  731   HD13  ILE  96          HD13      ILE  96 -37.233 -29.276 -30.024
  732    H    GLN  97           HN       GLN  97 -37.936 -28.766 -34.453
  733    HA   GLN  97           HA       GLN  97 -38.779 -31.512 -35.162
  734    HB2  GLN  97           HB2      GLN  97 -37.354 -29.431 -36.774
  735    HB3  GLN  97           HB1      GLN  97 -36.829 -31.102 -36.961
  736    HG2  GLN  97           HG2      GLN  97 -39.160 -31.772 -37.450
  737    HG3  GLN  97           HG1      GLN  97 -39.665 -30.092 -37.301
  738   HE21  GLN  97          HE21      GLN  97 -36.554 -30.933 -38.740
  739   HE22  GLN  97          HE22      GLN  97 -36.974 -30.508 -40.334
  740    H    ILE  98           HN       ILE  98 -37.494 -33.083 -34.438
  741    HA   ILE  98           HA       ILE  98 -34.953 -32.314 -33.097
  742    HB   ILE  98           HB       ILE  98 -36.769 -34.606 -32.338
  743   HG12  ILE  98          HG12      ILE  98 -36.704 -31.792 -31.202
  744   HG13  ILE  98          HG11      ILE  98 -38.028 -32.504 -32.122
  745   HG21  ILE  98          HG21      ILE  98 -34.782 -33.111 -30.641
  746   HG22  ILE  98          HG22      ILE  98 -34.283 -34.464 -31.661
  747   HG23  ILE  98          HG23      ILE  98 -35.463 -34.712 -30.373
  748   HD11  ILE  98          HD11      ILE  98 -37.487 -34.338 -30.016
  749   HD12  ILE  98          HD12      ILE  98 -38.885 -33.280 -30.193
  750   HD13  ILE  98          HD13      ILE  98 -37.476 -32.728 -29.294
  751    H    PHE  99           HN       PHE  99 -33.160 -33.415 -33.761
  752    HA   PHE  99           HA       PHE  99 -33.582 -35.836 -35.449
  753    HB2  PHE  99           HB2      PHE  99 -31.565 -33.613 -35.614
  754    HB3  PHE  99           HB1      PHE  99 -31.269 -35.170 -36.366
  755    HD1  PHE  99           HD1      PHE  99 -33.550 -32.252 -36.297
  756    HD2  PHE  99           HD2      PHE  99 -32.393 -35.818 -38.384
  757    HE1  PHE  99           HE1      PHE  99 -34.936 -31.566 -38.229
  758    HE2  PHE  99           HE2      PHE  99 -33.785 -35.134 -40.321
  759    HZ   PHE  99           HZ       PHE  99 -35.057 -33.007 -40.243
  760    H    GLU 100           HN       GLU 100 -32.717 -37.663 -34.784
  761    HA   GLU 100           HA       GLU 100 -31.589 -37.985 -32.246
  762    HB2  GLU 100           HB2      GLU 100 -32.735 -39.787 -33.498
  763    HB3  GLU 100           HB1      GLU 100 -31.375 -39.846 -34.626
  764    HG2  GLU 100           HG2      GLU 100 -29.856 -40.452 -32.801
  765    HG3  GLU 100           HG1      GLU 100 -31.167 -40.303 -31.629
  766    H    LYS 101           HN       LYS 101 -30.128 -37.269 -35.311
  767    HA   LYS 101           HA       LYS 101 -27.433 -37.434 -34.064
  768    HB2  LYS 101           HB2      LYS 101 -28.150 -37.776 -36.981
  769    HB3  LYS 101           HB1      LYS 101 -26.559 -37.977 -36.254
  770    HG2  LYS 101           HG2      LYS 101 -27.334 -39.856 -34.954
  771    HG3  LYS 101           HG1      LYS 101 -28.992 -39.614 -35.494
  772    HD2  LYS 101           HD2      LYS 101 -28.285 -40.048 -37.823
  773    HD3  LYS 101           HD1      LYS 101 -26.639 -40.343 -37.259
  774    HE2  LYS 101           HE2      LYS 101 -29.018 -41.876 -36.201
  775    HE3  LYS 101           HE1      LYS 101 -28.078 -42.426 -37.587
  776    HZ1  LYS 101           HZ1      LYS 101 -26.141 -42.576 -36.268
  777    HZ2  LYS 101           HZ2      LYS 101 -27.376 -43.336 -35.381
  778    HZ3  LYS 101           HZ3      LYS 101 -26.866 -41.770 -34.964
  779    H    GLY 102           HN       GLY 102 -25.998 -35.735 -34.473
  780    HA2  GLY 102           HA2      GLY 102 -27.083 -33.153 -34.807
  781    HA3  GLY 102           HA1      GLY 102 -25.369 -33.559 -34.901
  782    H    ASP 103           HN       ASP 103 -25.536 -31.795 -36.594
  783    HA   ASP 103           HA       ASP 103 -25.694 -31.087 -38.785
  784    HB2  ASP 103           HB2      ASP 103 -23.813 -32.788 -38.764
  785    HB3  ASP 103           HB1      ASP 103 -24.971 -33.951 -39.405
  786    H    PHE 104           HN       PHE 104 -28.167 -32.162 -37.626
  787    HA   PHE 104           HA       PHE 104 -30.292 -32.739 -38.270
  788    HB2  PHE 104           HB2      PHE 104 -29.503 -31.962 -41.073
  789    HB3  PHE 104           HB1      PHE 104 -31.064 -31.792 -40.267
  790    HD1  PHE 104           HD2      PHE 104 -31.088 -30.331 -38.105
  791    HD2  PHE 104           HD1      PHE 104 -28.036 -30.136 -41.113
  792    HE1  PHE 104           HE2      PHE 104 -30.442 -28.081 -37.294
  793    HE2  PHE 104           HE1      PHE 104 -27.380 -27.887 -40.307
  794    HZ   PHE 104           HZ       PHE 104 -28.574 -26.862 -38.397
  795    H    SER 105           HN       SER 105 -29.715 -35.014 -37.898
  796    HA   SER 105           HA       SER 105 -30.288 -36.584 -40.257
  797    HB2  SER 105           HB2      SER 105 -27.585 -36.672 -38.932
  798    HB3  SER 105           HB1      SER 105 -28.232 -38.080 -39.770
  799    HG   SER 105           HG       SER 105 -27.077 -35.910 -40.792
  800    H    GLY 106           HN       GLY 106 -30.597 -38.862 -39.730
  801    HA2  GLY 106           HA2      GLY 106 -31.113 -40.640 -38.290
  802    HA3  GLY 106           HA1      GLY 106 -30.845 -39.574 -36.918
  803    H    GLN 107           HN       GLN 107 -32.851 -40.808 -36.319
  804    HA   GLN 107           HA       GLN 107 -35.340 -40.441 -37.493
  805    HB2  GLN 107           HB2      GLN 107 -35.016 -42.009 -35.652
  806    HB3  GLN 107           HB1      GLN 107 -34.694 -40.675 -34.546
  807    HG2  GLN 107           HG2      GLN 107 -37.014 -41.460 -34.311
  808    HG3  GLN 107           HG1      GLN 107 -36.984 -39.812 -34.931
  809   HE21  GLN 107          HE21      GLN 107 -38.909 -39.871 -36.156
  810   HE22  GLN 107          HE22      GLN 107 -39.145 -40.903 -37.483
  811    H    MET 108           HN       MET 108 -36.780 -38.803 -37.628
  812    HA   MET 108           HA       MET 108 -36.197 -36.349 -36.140
  813    HB2  MET 108           HB2      MET 108 -35.668 -35.958 -38.452
  814    HB3  MET 108           HB1      MET 108 -37.228 -36.620 -38.945
  815    HG2  MET 108           HG2      MET 108 -37.216 -34.352 -36.978
  816    HG3  MET 108           HG1      MET 108 -36.894 -33.993 -38.670
  817    HE1  MET 108           HE1      MET 108 -38.785 -33.235 -40.125
  818    HE2  MET 108           HE2      MET 108 -40.016 -34.425 -40.543
  819    HE3  MET 108           HE3      MET 108 -38.314 -34.871 -40.605
  820    H    TYR 109           HN       TYR 109 -37.787 -35.499 -34.933
  821    HA   TYR 109           HA       TYR 109 -40.517 -36.587 -35.317
  822    HB2  TYR 109           HB2      TYR 109 -39.008 -35.904 -32.793
  823    HB3  TYR 109           HB1      TYR 109 -40.752 -36.154 -32.851
  824    HD1  TYR 109           HD2      TYR 109 -41.545 -38.359 -34.074
  825    HD2  TYR 109           HD1      TYR 109 -37.631 -37.762 -32.410
  826    HE1  TYR 109           HE2      TYR 109 -41.225 -40.815 -33.950
  827    HE2  TYR 109           HE1      TYR 109 -37.311 -40.219 -32.286
  828    HH   TYR 109           HH       TYR 109 -38.351 -42.211 -32.421
  829    H    GLU 110           HN       GLU 110 -42.114 -35.178 -35.478
  830    HA   GLU 110           HA       GLU 110 -41.549 -32.312 -34.974
  831    HB2  GLU 110           HB2      GLU 110 -43.265 -31.972 -36.867
  832    HB3  GLU 110           HB1      GLU 110 -41.631 -32.449 -37.317
  833    HG2  GLU 110           HG2      GLU 110 -42.335 -34.781 -37.498
  834    HG3  GLU 110           HG1      GLU 110 -43.958 -34.353 -36.955
  835    H    THR 111           HN       THR 111 -42.877 -31.389 -33.540
  836    HA   THR 111           HA       THR 111 -45.665 -32.225 -33.333
  837    HB   THR 111           HB       THR 111 -44.294 -33.746 -31.830
  838    HG1  THR 111           HG1      THR 111 -46.295 -33.717 -31.154
  839   HG21  THR 111          HG21      THR 111 -43.320 -32.867 -29.839
  840   HG22  THR 111          HG22      THR 111 -44.069 -31.291 -30.081
  841   HG23  THR 111          HG23      THR 111 -42.756 -31.813 -31.137
  842    H    THR 112           HN       THR 112 -46.908 -30.489 -32.982
  843    HA   THR 112           HA       THR 112 -45.615 -27.959 -32.234
  844    HB   THR 112           HB       THR 112 -46.917 -27.779 -34.200
  845    HG1  THR 112           HG1      THR 112 -48.019 -26.093 -33.572
  846   HG21  THR 112          HG21      THR 112 -49.116 -29.134 -32.629
  847   HG22  THR 112          HG22      THR 112 -48.246 -29.792 -34.016
  848   HG23  THR 112          HG23      THR 112 -49.330 -28.416 -34.227
  849    H    GLU 113           HN       GLU 113 -45.856 -29.752 -30.137
  850    HA   GLU 113           HA       GLU 113 -47.653 -28.248 -28.343
  851    HB2  GLU 113           HB2      GLU 113 -48.166 -30.537 -27.226
  852    HB3  GLU 113           HB1      GLU 113 -49.047 -30.107 -28.696
  853    HG2  GLU 113           HG2      GLU 113 -47.538 -31.438 -30.054
  854    HG3  GLU 113           HG1      GLU 113 -46.515 -31.774 -28.657
  855    H    ASP 114           HN       ASP 114 -47.220 -29.241 -25.970
  856    HA   ASP 114           HA       ASP 114 -44.370 -28.873 -25.508
  857    HB2  ASP 114           HB2      ASP 114 -45.050 -29.083 -23.092
  858    HB3  ASP 114           HB1      ASP 114 -45.817 -27.754 -23.958
  859    H    CYS 115           HN       CYS 115 -43.142 -30.365 -24.252
  860    HA   CYS 115           HA       CYS 115 -44.115 -33.149 -24.310
  861    HB2  CYS 115           HB2      CYS 115 -41.513 -32.053 -25.339
  862    HB3  CYS 115           HB1      CYS 115 -41.731 -33.755 -24.944
  863    HG   CYS 115           HG       CYS 115 -42.923 -34.033 -27.094
  864    HA   PRO 116           HA       PRO 116 -42.362 -32.620 -20.148
  865    HB2  PRO 116           HB2      PRO 116 -43.231 -34.969 -19.050
  866    HB3  PRO 116           HB1      PRO 116 -44.315 -33.588 -19.321
  867    HG2  PRO 116           HG2      PRO 116 -43.976 -36.066 -20.942
  868    HG3  PRO 116           HG1      PRO 116 -45.458 -35.187 -20.536
  869    HD2  PRO 116           HD2      PRO 116 -44.153 -34.977 -22.967
  870    HD3  PRO 116           HD1      PRO 116 -45.204 -33.709 -22.307
  871    H    SER 117           HN       SER 117 -42.259 -35.955 -21.457
  872    HA   SER 117           HA       SER 117 -39.342 -36.085 -20.848
  873    HB2  SER 117           HB2      SER 117 -41.465 -38.237 -20.872
  874    HB3  SER 117           HB1      SER 117 -39.742 -38.595 -20.862
  875    HG   SER 117           HG       SER 117 -39.666 -38.043 -18.835
  876    H    ILE 118           HN       ILE 118 -38.217 -35.784 -22.729
  877    HA   ILE 118           HA       ILE 118 -39.367 -36.177 -25.287
  878    HB   ILE 118           HB       ILE 118 -37.346 -34.720 -24.418
  879   HG12  ILE 118          HG12      ILE 118 -37.348 -35.911 -27.199
  880   HG13  ILE 118          HG11      ILE 118 -38.380 -34.587 -26.669
  881   HG21  ILE 118          HG21      ILE 118 -35.974 -36.723 -23.857
  882   HG22  ILE 118          HG22      ILE 118 -35.174 -35.563 -24.915
  883   HG23  ILE 118          HG23      ILE 118 -35.853 -37.044 -25.587
  884   HD11  ILE 118          HD11      ILE 118 -35.406 -34.310 -26.330
  885   HD12  ILE 118          HD12      ILE 118 -36.637 -33.071 -26.568
  886   HD13  ILE 118          HD13      ILE 118 -36.126 -34.075 -27.920
  887    H    MET 119           HN       MET 119 -37.146 -38.108 -23.339
  888    HA   MET 119           HA       MET 119 -36.654 -40.047 -25.319
  889    HB2  MET 119           HB2      MET 119 -35.219 -39.674 -23.334
  890    HB3  MET 119           HB1      MET 119 -36.493 -40.350 -22.326
  891    HG2  MET 119           HG2      MET 119 -36.055 -42.512 -22.985
  892    HG3  MET 119           HG1      MET 119 -35.694 -42.050 -24.645
  893    HE1  MET 119           HE1      MET 119 -34.488 -42.326 -21.019
  894    HE2  MET 119           HE2      MET 119 -34.280 -40.603 -21.315
  895    HE3  MET 119           HE3      MET 119 -32.867 -41.621 -21.051
  896    H    GLU 120           HN       GLU 120 -39.404 -39.494 -23.316
  897    HA   GLU 120           HA       GLU 120 -40.286 -42.246 -23.279
  898    HB2  GLU 120           HB2      GLU 120 -40.844 -40.614 -21.489
  899    HB3  GLU 120           HB1      GLU 120 -41.819 -39.716 -22.653
  900    HG2  GLU 120           HG2      GLU 120 -43.332 -41.123 -21.484
  901    HG3  GLU 120           HG1      GLU 120 -43.114 -41.893 -23.041
  902    H    GLN 121           HN       GLN 121 -41.154 -39.303 -25.041
  903    HA   GLN 121           HA       GLN 121 -43.131 -40.764 -26.629
  904    HB2  GLN 121           HB2      GLN 121 -43.414 -38.382 -27.609
  905    HB3  GLN 121           HB1      GLN 121 -43.939 -38.673 -25.956
  906    HG2  GLN 121           HG2      GLN 121 -42.256 -37.418 -25.049
  907    HG3  GLN 121           HG1      GLN 121 -41.092 -37.840 -26.294
  908   HE21  GLN 121          HE21      GLN 121 -44.156 -36.699 -27.476
  909   HE22  GLN 121          HE22      GLN 121 -43.641 -35.120 -27.849
  910    H    PHE 122           HN       PHE 122 -39.920 -39.333 -26.968
  911    HA   PHE 122           HA       PHE 122 -39.938 -40.122 -29.819
  912    HB2  PHE 122           HB2      PHE 122 -38.350 -37.939 -28.475
  913    HB3  PHE 122           HB1      PHE 122 -38.233 -38.381 -30.174
  914    HD1  PHE 122           HD2      PHE 122 -40.973 -38.755 -31.105
  915    HD2  PHE 122           HD1      PHE 122 -39.445 -35.881 -28.284
  916    HE1  PHE 122           HE2      PHE 122 -42.886 -37.277 -31.570
  917    HE2  PHE 122           HE1      PHE 122 -41.364 -34.393 -28.790
  918    HZ   PHE 122           HZ       PHE 122 -43.079 -35.103 -30.416
  919    H    HIS 123           HN       HIS 123 -38.901 -41.278 -26.995
  920    HA   HIS 123           HA       HIS 123 -37.182 -42.703 -26.379
  921    HB2  HIS 123           HB2      HIS 123 -37.327 -43.210 -29.339
  922    HB3  HIS 123           HB1      HIS 123 -36.387 -44.200 -28.217
  923    HD2  HIS 123           HD2      HIS 123 -38.713 -46.005 -29.294
  924    HE1  HIS 123           HE1      HIS 123 -41.102 -44.724 -26.055
  925    HE2  HIS 123           HE2      HIS 123 -40.854 -46.480 -27.873
  926    H    MET 124           HN       MET 124 -36.572 -39.893 -27.636
  927    HA   MET 124           HA       MET 124 -33.858 -40.170 -28.529
  928    HB2  MET 124           HB2      MET 124 -35.560 -37.800 -27.755
  929    HB3  MET 124           HB1      MET 124 -33.886 -37.660 -28.264
  930    HG2  MET 124           HG2      MET 124 -35.521 -39.310 -30.089
  931    HG3  MET 124           HG1      MET 124 -36.048 -37.635 -29.981
  932    HE1  MET 124           HE1      MET 124 -34.198 -36.804 -33.027
  933    HE2  MET 124           HE2      MET 124 -35.600 -36.601 -31.993
  934    HE3  MET 124           HE3      MET 124 -35.294 -38.159 -32.755
  935    H    ARG 125           HN       ARG 125 -32.061 -40.105 -27.322
  936    HA   ARG 125           HA       ARG 125 -32.372 -39.763 -24.412
  937    HB2  ARG 125           HB2      ARG 125 -30.031 -40.940 -24.529
  938    HB3  ARG 125           HB1      ARG 125 -31.493 -41.894 -24.756
  939    HG2  ARG 125           HG2      ARG 125 -31.256 -41.735 -27.191
  940    HG3  ARG 125           HG1      ARG 125 -29.837 -40.706 -27.002
  941    HD2  ARG 125           HD2      ARG 125 -29.112 -42.987 -27.428
  942    HD3  ARG 125           HD1      ARG 125 -28.719 -42.562 -25.764
  943    HE   ARG 125           HE       ARG 125 -31.279 -43.775 -25.850
  944   HH11  ARG 125          HH21      ARG 125 -27.910 -44.464 -26.241
  945   HH12  ARG 125          HH22      ARG 125 -28.046 -46.110 -25.717
  946   HH21  ARG 125          HH11      ARG 125 -31.463 -45.926 -25.160
  947   HH22  ARG 125          HH12      ARG 125 -30.059 -46.937 -25.105
  948    H    GLU 126           HN       GLU 126 -30.698 -38.591 -27.266
  949    HA   GLU 126           HA       GLU 126 -29.719 -36.331 -25.719
  950    HB2  GLU 126           HB2      GLU 126 -27.725 -37.918 -27.341
  951    HB3  GLU 126           HB1      GLU 126 -27.408 -36.522 -26.328
  952    HG2  GLU 126           HG2      GLU 126 -28.134 -37.837 -24.341
  953    HG3  GLU 126           HG1      GLU 126 -28.308 -39.247 -25.382
  954    H    ILE 127           HN       ILE 127 -30.591 -34.757 -26.854
  955    HA   ILE 127           HA       ILE 127 -30.979 -34.896 -29.698
  956    HB   ILE 127           HB       ILE 127 -31.172 -32.382 -28.029
  957   HG12  ILE 127          HG12      ILE 127 -32.491 -33.935 -26.781
  958   HG13  ILE 127          HG11      ILE 127 -33.642 -33.088 -27.816
  959   HG21  ILE 127          HG21      ILE 127 -33.019 -31.941 -29.687
  960   HG22  ILE 127          HG22      ILE 127 -32.493 -33.378 -30.561
  961   HG23  ILE 127          HG23      ILE 127 -31.411 -32.005 -30.389
  962   HD11  ILE 127          HD11      ILE 127 -33.308 -34.993 -29.494
  963   HD12  ILE 127          HD12      ILE 127 -34.197 -35.385 -28.023
  964   HD13  ILE 127          HD13      ILE 127 -32.505 -35.856 -28.183
  965    H    HIS 128           HN       HIS 128 -29.618 -34.407 -31.243
  966    HA   HIS 128           HA       HIS 128 -27.125 -32.956 -30.573
  967    HB2  HIS 128           HB2      HIS 128 -27.764 -34.807 -32.871
  968    HB3  HIS 128           HB1      HIS 128 -26.193 -34.084 -32.543
  969    HD2  HIS 128           HD2      HIS 128 -24.758 -35.326 -30.438
  970    HE1  HIS 128           HE1      HIS 128 -27.653 -38.285 -29.616
  971    HE2  HIS 128           HE2      HIS 128 -25.280 -37.517 -29.111
  972    H    SER 129           HN       SER 129 -29.856 -33.068 -32.801
  973    HA   SER 129           HA       SER 129 -29.059 -30.416 -33.841
  974    HB2  SER 129           HB2      SER 129 -28.653 -31.425 -35.837
  975    HB3  SER 129           HB1      SER 129 -29.376 -32.933 -35.302
  976    HG   SER 129           HG       SER 129 -30.633 -30.644 -36.393
  977    H    CYS 130           HN       CYS 130 -31.187 -29.986 -35.476
  978    HA   CYS 130           HA       CYS 130 -33.737 -30.461 -34.845
  979    HB2  CYS 130           HB2      CYS 130 -33.776 -30.060 -32.569
  980    HB3  CYS 130           HB1      CYS 130 -32.525 -28.825 -32.660
  981    HG   CYS 130           HG       CYS 130 -35.478 -28.279 -32.696
  982    H    LYS 131           HN       LYS 131 -35.074 -29.270 -36.085
  983    HA   LYS 131           HA       LYS 131 -34.083 -26.677 -37.127
  984    HB2  LYS 131           HB2      LYS 131 -35.480 -28.798 -38.775
  985    HB3  LYS 131           HB1      LYS 131 -34.824 -27.264 -39.350
  986    HG2  LYS 131           HG2      LYS 131 -32.559 -28.092 -38.438
  987    HG3  LYS 131           HG1      LYS 131 -33.318 -29.680 -38.338
  988    HD2  LYS 131           HD2      LYS 131 -33.202 -28.009 -40.865
  989    HD3  LYS 131           HD1      LYS 131 -32.068 -29.303 -40.481
  990    HE2  LYS 131           HE2      LYS 131 -34.077 -30.843 -40.262
  991    HE3  LYS 131           HE1      LYS 131 -35.047 -29.545 -40.955
  992    HZ1  LYS 131           HZ1      LYS 131 -33.895 -31.369 -42.445
  993    HZ2  LYS 131           HZ2      LYS 131 -32.591 -30.284 -42.348
  994    HZ3  LYS 131           HZ3      LYS 131 -34.081 -29.769 -42.976
  995    H    VAL 132           HN       VAL 132 -36.188 -25.976 -38.687
  996    HA   VAL 132           HA       VAL 132 -38.184 -24.841 -38.459
  997    HB   VAL 132           HB       VAL 132 -38.999 -27.482 -37.225
  998   HG11  VAL 132          HG11      VAL 132 -40.517 -25.143 -38.396
  999   HG12  VAL 132          HG12      VAL 132 -40.734 -25.906 -36.823
 1000   HG13  VAL 132          HG13      VAL 132 -41.228 -26.752 -38.290
 1001   HG21  VAL 132          HG21      VAL 132 -39.799 -27.867 -39.635
 1002   HG22  VAL 132          HG22      VAL 132 -38.057 -27.947 -39.373
 1003   HG23  VAL 132          HG23      VAL 132 -38.777 -26.502 -40.081
 1004    H    LEU 133           HN       LEU 133 -37.486 -23.291 -36.979
 1005    HA   LEU 133           HA       LEU 133 -38.084 -23.770 -34.118
 1006    HB2  LEU 133           HB2      LEU 133 -36.548 -21.460 -35.310
 1007    HB3  LEU 133           HB1      LEU 133 -36.569 -22.006 -33.631
 1008    HG   LEU 133           HG       LEU 133 -35.430 -23.525 -35.999
 1009   HD11  LEU 133          HD11      LEU 133 -33.903 -21.825 -35.361
 1010   HD12  LEU 133          HD12      LEU 133 -33.322 -23.285 -34.564
 1011   HD13  LEU 133          HD13      LEU 133 -34.218 -22.075 -33.644
 1012   HD21  LEU 133          HD21      LEU 133 -35.879 -24.282 -33.107
 1013   HD22  LEU 133          HD22      LEU 133 -34.614 -25.049 -34.067
 1014   HD23  LEU 133          HD23      LEU 133 -36.299 -25.193 -34.556
 1015    H    GLU 134           HN       GLU 134 -38.898 -21.723 -32.966
 1016    HA   GLU 134           HA       GLU 134 -40.634 -20.071 -34.652
 1017    HB2  GLU 134           HB2      GLU 134 -41.560 -22.237 -32.902
 1018    HB3  GLU 134           HB1      GLU 134 -42.265 -20.696 -32.426
 1019    HG2  GLU 134           HG2      GLU 134 -43.742 -21.682 -34.049
 1020    HG3  GLU 134           HG1      GLU 134 -42.919 -20.343 -34.842
 1021    H    GLY 135           HN       GLY 135 -40.065 -18.081 -34.173
 1022    HA2  GLY 135           HA2      GLY 135 -39.113 -16.311 -33.004
 1023    HA3  GLY 135           HA1      GLY 135 -40.482 -16.637 -31.952
 1024    H    VAL 136           HN       VAL 136 -40.163 -17.574 -29.985
 1025    HA   VAL 136           HA       VAL 136 -37.351 -17.931 -29.120
 1026    HB   VAL 136           HB       VAL 136 -39.729 -17.403 -27.362
 1027   HG11  VAL 136          HG11      VAL 136 -38.057 -16.699 -25.762
 1028   HG12  VAL 136          HG12      VAL 136 -36.785 -16.810 -26.974
 1029   HG13  VAL 136          HG13      VAL 136 -37.565 -18.273 -26.379
 1030   HG21  VAL 136          HG21      VAL 136 -38.836 -15.014 -27.403
 1031   HG22  VAL 136          HG22      VAL 136 -39.730 -15.540 -28.824
 1032   HG23  VAL 136          HG23      VAL 136 -37.967 -15.472 -28.863
 1033    H    TRP 137           HN       TRP 137 -36.912 -19.648 -27.608
 1034    HA   TRP 137           HA       TRP 137 -38.959 -21.749 -27.363
 1035    HB2  TRP 137           HB2      TRP 137 -37.496 -22.023 -29.480
 1036    HB3  TRP 137           HB1      TRP 137 -36.195 -22.432 -28.362
 1037    HD1  TRP 137           HD1      TRP 137 -36.349 -24.672 -27.058
 1038    HE1  TRP 137           HE1      TRP 137 -37.834 -26.765 -27.322
 1039    HE3  TRP 137           HE3      TRP 137 -39.916 -22.792 -30.157
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.244 -27.514 -28.666
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.805 -24.208 -30.912
 1042    HH2  TRP 137           HH2      TRP 137 -41.975 -26.563 -30.161
 1043    H    ILE 138           HN       ILE 138 -38.103 -23.579 -25.945
 1044    HA   ILE 138           HA       ILE 138 -36.025 -22.750 -24.041
 1045    HB   ILE 138           HB       ILE 138 -38.895 -23.284 -23.243
 1046   HG12  ILE 138          HG12      ILE 138 -36.989 -21.006 -22.601
 1047   HG13  ILE 138          HG11      ILE 138 -38.235 -20.947 -23.844
 1048   HG21  ILE 138          HG21      ILE 138 -36.351 -23.358 -21.599
 1049   HG22  ILE 138          HG22      ILE 138 -37.624 -24.571 -21.686
 1050   HG23  ILE 138          HG23      ILE 138 -37.922 -23.045 -20.865
 1051   HD11  ILE 138          HD11      ILE 138 -39.818 -21.675 -21.824
 1052   HD12  ILE 138          HD12      ILE 138 -39.388 -19.984 -22.073
 1053   HD13  ILE 138          HD13      ILE 138 -38.533 -20.939 -20.867
 1054    H    PHE 139           HN       PHE 139 -34.723 -24.388 -23.668
 1055    HA   PHE 139           HA       PHE 139 -35.756 -27.164 -23.882
 1056    HB2  PHE 139           HB2      PHE 139 -33.274 -25.837 -24.815
 1057    HB3  PHE 139           HB1      PHE 139 -32.968 -27.336 -23.941
 1058    HD1  PHE 139           HD1      PHE 139 -35.996 -26.616 -26.009
 1059    HD2  PHE 139           HD2      PHE 139 -32.257 -28.709 -25.751
 1060    HE1  PHE 139           HE1      PHE 139 -36.612 -27.927 -27.997
 1061    HE2  PHE 139           HE2      PHE 139 -32.871 -30.031 -27.753
 1062    HZ   PHE 139           HZ       PHE 139 -35.044 -29.643 -28.881
 1063    H    TYR 140           HN       TYR 140 -35.782 -28.377 -22.189
 1064    HA   TYR 140           HA       TYR 140 -34.582 -27.324 -19.683
 1065    HB2  TYR 140           HB2      TYR 140 -37.016 -28.936 -20.381
 1066    HB3  TYR 140           HB1      TYR 140 -36.307 -29.153 -18.792
 1067    HD1  TYR 140           HD2      TYR 140 -35.713 -26.909 -17.511
 1068    HD2  TYR 140           HD1      TYR 140 -38.585 -27.221 -20.679
 1069    HE1  TYR 140           HE2      TYR 140 -36.811 -24.836 -16.721
 1070    HE2  TYR 140           HE1      TYR 140 -39.679 -25.148 -19.901
 1071    HH   TYR 140           HH       TYR 140 -38.466 -23.405 -17.028
 1072    H    GLU 141           HN       GLU 141 -32.640 -28.256 -19.349
 1073    HA   GLU 141           HA       GLU 141 -31.630 -30.554 -20.426
 1074    HB2  GLU 141           HB2      GLU 141 -30.403 -28.847 -19.040
 1075    HB3  GLU 141           HB1      GLU 141 -31.044 -29.651 -17.606
 1076    HG2  GLU 141           HG2      GLU 141 -30.017 -31.784 -18.374
 1077    HG3  GLU 141           HG1      GLU 141 -29.328 -30.927 -19.753
 1078    H    LEU 142           HN       LEU 142 -34.015 -30.313 -17.915
 1079    HA   LEU 142           HA       LEU 142 -33.830 -33.223 -17.434
 1080    HB2  LEU 142           HB2      LEU 142 -34.214 -30.953 -15.630
 1081    HB3  LEU 142           HB1      LEU 142 -35.415 -32.198 -15.377
 1082    HG   LEU 142           HG       LEU 142 -33.533 -33.864 -15.221
 1083   HD11  LEU 142          HD11      LEU 142 -31.262 -32.880 -14.795
 1084   HD12  LEU 142          HD12      LEU 142 -31.892 -31.314 -15.303
 1085   HD13  LEU 142          HD13      LEU 142 -31.819 -32.649 -16.452
 1086   HD21  LEU 142          HD21      LEU 142 -32.960 -33.272 -12.954
 1087   HD22  LEU 142          HD22      LEU 142 -34.612 -32.728 -13.241
 1088   HD23  LEU 142          HD23      LEU 142 -33.285 -31.567 -13.265
 1089    HA   PRO 143           HA       PRO 143 -37.901 -33.504 -19.062
 1090    HB2  PRO 143           HB2      PRO 143 -38.904 -35.702 -17.858
 1091    HB3  PRO 143           HB1      PRO 143 -37.508 -35.791 -18.953
 1092    HG2  PRO 143           HG2      PRO 143 -37.579 -35.897 -15.979
 1093    HG3  PRO 143           HG1      PRO 143 -36.520 -36.743 -17.113
 1094    HD2  PRO 143           HD2      PRO 143 -35.858 -34.410 -15.679
 1095    HD3  PRO 143           HD1      PRO 143 -34.982 -35.063 -17.071
 1096    H    ASN 144           HN       ASN 144 -40.231 -33.543 -18.570
 1097    HA   ASN 144           HA       ASN 144 -42.123 -32.820 -17.498
 1098    HB2  ASN 144           HB2      ASN 144 -40.628 -32.764 -14.882
 1099    HB3  ASN 144           HB1      ASN 144 -42.327 -33.131 -15.188
 1100   HD21  ASN 144          HD21      ASN 144 -39.052 -34.424 -15.345
 1101   HD22  ASN 144          HD22      ASN 144 -39.505 -36.038 -15.584
 1102    H    TYR 145           HN       TYR 145 -39.786 -31.049 -18.380
 1103    HA   TYR 145           HA       TYR 145 -39.532 -28.789 -18.538
 1104    HB2  TYR 145           HB2      TYR 145 -41.709 -28.229 -16.542
 1105    HB3  TYR 145           HB1      TYR 145 -41.312 -27.400 -18.043
 1106    HD1  TYR 145           HD2      TYR 145 -41.471 -29.085 -20.205
 1107    HD2  TYR 145           HD1      TYR 145 -43.698 -29.434 -16.547
 1108    HE1  TYR 145           HE2      TYR 145 -43.220 -30.388 -21.389
 1109    HE2  TYR 145           HE1      TYR 145 -45.435 -30.743 -17.732
 1110    HH   TYR 145           HH       TYR 145 -46.192 -30.836 -20.363
 1111    H    ARG 146           HN       ARG 146 -37.573 -29.608 -17.188
 1112    HA   ARG 146           HA       ARG 146 -37.283 -27.826 -14.932
 1113    HB2  ARG 146           HB2      ARG 146 -37.113 -30.819 -14.544
 1114    HB3  ARG 146           HB1      ARG 146 -36.453 -29.642 -13.410
 1115    HG2  ARG 146           HG2      ARG 146 -38.768 -28.609 -13.296
 1116    HG3  ARG 146           HG1      ARG 146 -39.351 -30.003 -14.206
 1117    HD2  ARG 146           HD2      ARG 146 -39.652 -30.426 -11.849
 1118    HD3  ARG 146           HD1      ARG 146 -38.398 -31.497 -12.467
 1119    HE   ARG 146           HE       ARG 146 -37.243 -29.091 -11.495
 1120   HH11  ARG 146          HH21      ARG 146 -38.750 -32.033 -10.494
 1121   HH12  ARG 146          HH22      ARG 146 -37.924 -32.101  -8.973
 1122   HH21  ARG 146          HH11      ARG 146 -36.152 -29.166  -9.513
 1123   HH22  ARG 146          HH12      ARG 146 -36.450 -30.473  -8.414
 1124    H    GLY 147           HN       GLY 147 -34.993 -28.007 -14.028
 1125    HA2  GLY 147           HA2      GLY 147 -32.697 -28.479 -14.363
 1126    HA3  GLY 147           HA1      GLY 147 -33.067 -29.074 -15.969
 1127    H    ARG 148           HN       ARG 148 -30.950 -27.543 -15.802
 1128    HA   ARG 148           HA       ARG 148 -31.183 -24.777 -15.959
 1129    HB2  ARG 148           HB2      ARG 148 -29.346 -26.696 -17.409
 1130    HB3  ARG 148           HB1      ARG 148 -29.159 -24.940 -17.465
 1131    HG2  ARG 148           HG2      ARG 148 -28.828 -24.826 -15.080
 1132    HG3  ARG 148           HG1      ARG 148 -29.259 -26.526 -14.886
 1133    HD2  ARG 148           HD2      ARG 148 -26.813 -26.224 -14.830
 1134    HD3  ARG 148           HD1      ARG 148 -27.304 -27.185 -16.222
 1135    HE   ARG 148           HE       ARG 148 -27.142 -24.406 -16.880
 1136   HH11  ARG 148          HH21      ARG 148 -25.315 -27.280 -16.288
 1137   HH12  ARG 148          HH22      ARG 148 -23.976 -26.803 -17.277
 1138   HH21  ARG 148          HH11      ARG 148 -25.390 -23.768 -18.185
 1139   HH22  ARG 148          HH12      ARG 148 -24.019 -24.813 -18.352
 1140    H    GLN 149           HN       GLN 149 -31.826 -23.377 -17.522
 1141    HA   GLN 149           HA       GLN 149 -33.198 -24.533 -19.864
 1142    HB2  GLN 149           HB2      GLN 149 -33.347 -21.808 -18.544
 1143    HB3  GLN 149           HB1      GLN 149 -34.189 -22.228 -20.035
 1144    HG2  GLN 149           HG2      GLN 149 -35.851 -22.696 -18.474
 1145    HG3  GLN 149           HG1      GLN 149 -35.082 -24.276 -18.595
 1146   HE21  GLN 149          HE21      GLN 149 -36.482 -22.743 -16.279
 1147   HE22  GLN 149          HE22      GLN 149 -35.378 -22.878 -14.993
 1148    H    TYR 150           HN       TYR 150 -32.588 -24.101 -21.907
 1149    HA   TYR 150           HA       TYR 150 -30.090 -22.546 -22.284
 1150    HB2  TYR 150           HB2      TYR 150 -31.356 -24.750 -23.927
 1151    HB3  TYR 150           HB1      TYR 150 -29.929 -23.838 -24.418
 1152    HD1  TYR 150           HD2      TYR 150 -27.979 -23.709 -22.666
 1153    HD2  TYR 150           HD1      TYR 150 -31.076 -26.686 -22.624
 1154    HE1  TYR 150           HE2      TYR 150 -26.548 -25.180 -21.276
 1155    HE2  TYR 150           HE1      TYR 150 -29.643 -28.156 -21.234
 1156    HH   TYR 150           HH       TYR 150 -26.508 -27.930 -20.949
 1157    H    LEU 151           HN       LEU 151 -30.151 -20.697 -23.412
 1158    HA   LEU 151           HA       LEU 151 -32.652 -19.729 -24.439
 1159    HB2  LEU 151           HB2      LEU 151 -30.993 -18.236 -23.356
 1160    HB3  LEU 151           HB1      LEU 151 -29.880 -18.538 -24.689
 1161    HG   LEU 151           HG       LEU 151 -31.545 -17.594 -26.275
 1162   HD11  LEU 151          HD11      LEU 151 -33.388 -16.176 -24.984
 1163   HD12  LEU 151          HD12      LEU 151 -33.167 -17.413 -23.747
 1164   HD13  LEU 151          HD13      LEU 151 -33.677 -17.871 -25.372
 1165   HD21  LEU 151          HD21      LEU 151 -30.896 -15.788 -23.924
 1166   HD22  LEU 151          HD22      LEU 151 -31.287 -15.249 -25.557
 1167   HD23  LEU 151          HD23      LEU 151 -29.804 -16.156 -25.259
 1168    H    LEU 152           HN       LEU 152 -33.225 -19.342 -26.546
 1169    HA   LEU 152           HA       LEU 152 -31.474 -20.444 -28.669
 1170    HB2  LEU 152           HB2      LEU 152 -34.366 -21.044 -28.090
 1171    HB3  LEU 152           HB1      LEU 152 -33.793 -21.077 -29.752
 1172    HG   LEU 152           HG       LEU 152 -31.952 -22.657 -29.000
 1173   HD11  LEU 152          HD11      LEU 152 -33.000 -23.827 -26.703
 1174   HD12  LEU 152          HD12      LEU 152 -33.213 -22.109 -26.388
 1175   HD13  LEU 152          HD13      LEU 152 -31.615 -22.744 -26.759
 1176   HD21  LEU 152          HD21      LEU 152 -34.451 -23.259 -29.863
 1177   HD22  LEU 152          HD22      LEU 152 -34.500 -24.038 -28.288
 1178   HD23  LEU 152          HD23      LEU 152 -33.260 -24.489 -29.451
 1179    H    ASP 153           HN       ASP 153 -31.529 -19.409 -30.625
 1180    HA   ASP 153           HA       ASP 153 -33.219 -16.995 -30.883
 1181    HB2  ASP 153           HB2      ASP 153 -30.977 -16.309 -30.034
 1182    HB3  ASP 153           HB1      ASP 153 -30.239 -17.076 -31.437
 1183    H    LYS 154           HN       LYS 154 -34.289 -18.730 -32.247
 1184    HA   LYS 154           HA       LYS 154 -34.625 -19.839 -34.256
 1185    HB2  LYS 154           HB2      LYS 154 -35.129 -17.322 -34.542
 1186    HB3  LYS 154           HB1      LYS 154 -33.629 -17.262 -35.464
 1187    HG2  LYS 154           HG2      LYS 154 -34.475 -18.932 -37.032
 1188    HG3  LYS 154           HG1      LYS 154 -35.931 -19.149 -36.059
 1189    HD2  LYS 154           HD2      LYS 154 -36.403 -17.678 -37.957
 1190    HD3  LYS 154           HD1      LYS 154 -36.532 -16.778 -36.446
 1191    HE2  LYS 154           HE2      LYS 154 -33.887 -16.820 -37.879
 1192    HE3  LYS 154           HE1      LYS 154 -35.169 -15.767 -38.478
 1193    HZ1  LYS 154           HZ1      LYS 154 -33.506 -15.421 -36.222
 1194    HZ2  LYS 154           HZ2      LYS 154 -35.133 -15.466 -35.728
 1195    HZ3  LYS 154           HZ3      LYS 154 -34.627 -14.340 -36.898
 1196    H    LYS 155           HN       LYS 155 -32.827 -18.406 -36.535
 1197    HA   LYS 155           HA       LYS 155 -31.022 -19.040 -37.786
 1198    HB2  LYS 155           HB2      LYS 155 -29.841 -18.203 -35.752
 1199    HB3  LYS 155           HB1      LYS 155 -29.827 -19.847 -35.128
 1200    HG2  LYS 155           HG2      LYS 155 -28.501 -20.609 -37.028
 1201    HG3  LYS 155           HG1      LYS 155 -28.635 -19.029 -37.794
 1202    HD2  LYS 155           HD2      LYS 155 -26.469 -19.123 -36.745
 1203    HD3  LYS 155           HD1      LYS 155 -27.471 -18.046 -35.774
 1204    HE2  LYS 155           HE2      LYS 155 -27.773 -19.676 -34.077
 1205    HE3  LYS 155           HE1      LYS 155 -27.228 -20.988 -35.120
 1206    HZ1  LYS 155           HZ1      LYS 155 -25.596 -20.130 -33.417
 1207    HZ2  LYS 155           HZ2      LYS 155 -25.467 -18.733 -34.373
 1208    HZ3  LYS 155           HZ3      LYS 155 -25.029 -20.244 -35.010
 1209    H    GLU 156           HN       GLU 156 -29.864 -21.476 -35.692
 1210    HA   GLU 156           HA       GLU 156 -31.460 -23.673 -36.417
 1211    HB2  GLU 156           HB2      GLU 156 -30.223 -22.887 -38.682
 1212    HB3  GLU 156           HB1      GLU 156 -28.918 -23.861 -38.014
 1213    HG2  GLU 156           HG2      GLU 156 -30.491 -25.770 -37.778
 1214    HG3  GLU 156           HG1      GLU 156 -31.764 -24.788 -38.501
 1215    H    TYR 157           HN       TYR 157 -30.480 -25.747 -35.779
 1216    HA   TYR 157           HA       TYR 157 -28.061 -25.451 -34.106
 1217    HB2  TYR 157           HB2      TYR 157 -30.359 -27.197 -33.270
 1218    HB3  TYR 157           HB1      TYR 157 -29.037 -26.568 -32.289
 1219    HD1  TYR 157           HD2      TYR 157 -28.914 -23.754 -32.747
 1220    HD2  TYR 157           HD1      TYR 157 -32.406 -26.256 -32.620
 1221    HE1  TYR 157           HE2      TYR 157 -30.290 -21.794 -32.155
 1222    HE2  TYR 157           HE1      TYR 157 -33.783 -24.280 -32.024
 1223    HH   TYR 157           HH       TYR 157 -32.341 -21.208 -31.228
 1224    H    ARG 158           HN       ARG 158 -26.575 -26.599 -35.137
 1225    HA   ARG 158           HA       ARG 158 -27.311 -29.245 -36.253
 1226    HB2  ARG 158           HB2      ARG 158 -25.468 -29.006 -37.755
 1227    HB3  ARG 158           HB1      ARG 158 -26.358 -27.486 -37.800
 1228    HG2  ARG 158           HG2      ARG 158 -24.732 -26.607 -36.059
 1229    HG3  ARG 158           HG1      ARG 158 -23.778 -28.066 -36.328
 1230    HD2  ARG 158           HD2      ARG 158 -22.896 -26.294 -37.728
 1231    HD3  ARG 158           HD1      ARG 158 -23.671 -27.501 -38.752
 1232    HE   ARG 158           HE       ARG 158 -25.576 -25.533 -38.096
 1233   HH11  ARG 158          HH21      ARG 158 -22.624 -25.927 -39.856
 1234   HH12  ARG 158          HH22      ARG 158 -23.010 -24.723 -41.039
 1235   HH21  ARG 158          HH11      ARG 158 -26.091 -23.961 -39.640
 1236   HH22  ARG 158          HH12      ARG 158 -24.975 -23.607 -40.918
 1237    H    LYS 159           HN       LYS 159 -25.411 -27.621 -33.847
 1238    HA   LYS 159           HA       LYS 159 -24.074 -30.178 -33.166
 1239    HB2  LYS 159           HB2      LYS 159 -22.437 -28.398 -31.964
 1240    HB3  LYS 159           HB1      LYS 159 -22.194 -28.916 -33.631
 1241    HG2  LYS 159           HG2      LYS 159 -22.918 -26.901 -34.516
 1242    HG3  LYS 159           HG1      LYS 159 -24.024 -26.590 -33.191
 1243    HD2  LYS 159           HD2      LYS 159 -22.163 -25.007 -33.122
 1244    HD3  LYS 159           HD1      LYS 159 -22.123 -26.064 -31.710
 1245    HE2  LYS 159           HE2      LYS 159 -20.567 -26.774 -34.192
 1246    HE3  LYS 159           HE1      LYS 159 -19.907 -25.648 -33.007
 1247    HZ1  LYS 159           HZ1      LYS 159 -19.206 -27.482 -31.982
 1248    HZ2  LYS 159           HZ2      LYS 159 -20.272 -28.500 -32.828
 1249    HZ3  LYS 159           HZ3      LYS 159 -20.809 -27.651 -31.458
 1250    HA   PRO 160           HA       PRO 160 -25.996 -30.073 -29.235
 1251    HB2  PRO 160           HB2      PRO 160 -23.864 -30.766 -27.552
 1252    HB3  PRO 160           HB1      PRO 160 -24.891 -31.881 -28.437
 1253    HG2  PRO 160           HG2      PRO 160 -22.190 -30.921 -29.116
 1254    HG3  PRO 160           HG1      PRO 160 -22.930 -32.499 -29.423
 1255    HD2  PRO 160           HD2      PRO 160 -22.617 -30.633 -31.376
 1256    HD3  PRO 160           HD1      PRO 160 -23.956 -31.789 -31.368
 1257    H    ILE 161           HN       ILE 161 -23.233 -28.061 -29.802
 1258    HA   ILE 161           HA       ILE 161 -23.668 -26.547 -27.322
 1259    HB   ILE 161           HB       ILE 161 -21.528 -26.514 -29.461
 1260   HG12  ILE 161          HG12      ILE 161 -20.105 -27.065 -27.464
 1261   HG13  ILE 161          HG11      ILE 161 -21.578 -27.209 -26.510
 1262   HG21  ILE 161          HG21      ILE 161 -22.095 -24.558 -27.243
 1263   HG22  ILE 161          HG22      ILE 161 -21.634 -24.239 -28.917
 1264   HG23  ILE 161          HG23      ILE 161 -20.438 -24.845 -27.774
 1265   HD11  ILE 161          HD11      ILE 161 -22.275 -29.123 -27.633
 1266   HD12  ILE 161          HD12      ILE 161 -20.531 -29.356 -27.602
 1267   HD13  ILE 161          HD13      ILE 161 -21.314 -28.773 -29.070
 1268    H    ASP 162           HN       ASP 162 -24.843 -26.601 -30.418
 1269    HA   ASP 162           HA       ASP 162 -24.717 -23.925 -31.218
 1270    HB2  ASP 162           HB2      ASP 162 -25.959 -26.255 -32.211
 1271    HB3  ASP 162           HB1      ASP 162 -27.253 -25.112 -32.007
 1272    H    TRP 163           HN       TRP 163 -26.727 -25.509 -28.849
 1273    HA   TRP 163           HA       TRP 163 -28.335 -23.049 -28.531
 1274    HB2  TRP 163           HB2      TRP 163 -29.750 -24.673 -27.092
 1275    HB3  TRP 163           HB1      TRP 163 -29.837 -24.818 -28.847
 1276    HD1  TRP 163           HD1      TRP 163 -27.432 -26.229 -26.162
 1277    HE1  TRP 163           HE1      TRP 163 -27.118 -28.744 -26.608
 1278    HE3  TRP 163           HE3      TRP 163 -30.415 -26.830 -30.280
 1279    HZ2  TRP 163           HZ2      TRP 163 -27.980 -30.725 -28.411
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.614 -29.062 -31.343
 1281    HH2  TRP 163           HH2      TRP 163 -29.381 -31.001 -30.409
 1282    H    GLY 164           HN       GLY 164 -25.532 -23.706 -27.547
 1283    HA2  GLY 164           HA2      GLY 164 -24.321 -23.040 -25.720
 1284    HA3  GLY 164           HA1      GLY 164 -25.813 -22.438 -25.029
 1285    H    ALA 165           HN       ALA 165 -25.491 -25.852 -25.868
 1286    HA   ALA 165           HA       ALA 165 -25.485 -26.458 -22.946
 1287    HB1  ALA 165           HB1      ALA 165 -26.315 -28.230 -25.219
 1288    HB2  ALA 165           HB2      ALA 165 -27.425 -27.353 -24.174
 1289    HB3  ALA 165           HB3      ALA 165 -26.400 -28.628 -23.510
 1290    H    ALA 166           HN       ALA 166 -23.947 -27.689 -22.071
 1291    HA   ALA 166           HA       ALA 166 -21.508 -28.067 -23.539
 1292    HB1  ALA 166           HB1      ALA 166 -20.672 -29.020 -21.410
 1293    HB2  ALA 166           HB2      ALA 166 -22.305 -28.945 -20.748
 1294    HB3  ALA 166           HB3      ALA 166 -21.453 -27.459 -21.163
 1295    H    SER 167           HN       SER 167 -24.080 -29.610 -24.244
 1296    HA   SER 167           HA       SER 167 -22.942 -31.907 -25.221
 1297    HB2  SER 167           HB2      SER 167 -23.562 -32.108 -22.356
 1298    HB3  SER 167           HB1      SER 167 -24.223 -33.426 -23.314
 1299    HG   SER 167           HG       SER 167 -21.644 -32.864 -22.656
 1300    HA   PRO 168           HA       PRO 168 -27.086 -32.253 -26.867
 1301    HB2  PRO 168           HB2      PRO 168 -27.090 -34.804 -27.841
 1302    HB3  PRO 168           HB1      PRO 168 -26.144 -33.519 -28.593
 1303    HG2  PRO 168           HG2      PRO 168 -25.260 -35.670 -26.750
 1304    HG3  PRO 168           HG1      PRO 168 -24.432 -34.996 -28.160
 1305    HD2  PRO 168           HD2      PRO 168 -23.805 -34.311 -25.553
 1306    HD3  PRO 168           HD1      PRO 168 -23.517 -33.253 -26.951
 1307    H    ALA 169           HN       ALA 169 -26.202 -33.707 -24.035
 1308    HA   ALA 169           HA       ALA 169 -28.354 -35.591 -23.741
 1309    HB1  ALA 169           HB1      ALA 169 -26.102 -35.754 -22.603
 1310    HB2  ALA 169           HB2      ALA 169 -27.489 -35.918 -21.525
 1311    HB3  ALA 169           HB3      ALA 169 -26.597 -34.396 -21.592
 1312    H    VAL 170           HN       VAL 170 -29.974 -33.881 -24.402
 1313    HA   VAL 170           HA       VAL 170 -30.694 -32.098 -22.162
 1314    HB   VAL 170           HB       VAL 170 -32.074 -32.190 -24.839
 1315   HG11  VAL 170          HG11      VAL 170 -32.569 -30.722 -22.538
 1316   HG12  VAL 170          HG12      VAL 170 -33.031 -30.214 -24.157
 1317   HG13  VAL 170          HG13      VAL 170 -31.536 -29.618 -23.443
 1318   HG21  VAL 170          HG21      VAL 170 -29.432 -30.902 -24.116
 1319   HG22  VAL 170          HG22      VAL 170 -30.416 -30.344 -25.467
 1320   HG23  VAL 170          HG23      VAL 170 -29.778 -31.988 -25.465
 1321    H    GLN 171           HN       GLN 171 -33.471 -32.075 -23.126
 1322    HA   GLN 171           HA       GLN 171 -34.497 -34.716 -22.770
 1323    HB2  GLN 171           HB2      GLN 171 -34.837 -32.735 -20.520
 1324    HB3  GLN 171           HB1      GLN 171 -35.958 -34.060 -20.770
 1325    HG2  GLN 171           HG2      GLN 171 -32.990 -34.366 -20.318
 1326    HG3  GLN 171           HG1      GLN 171 -34.246 -34.650 -19.146
 1327   HE21  GLN 171          HE21      GLN 171 -32.393 -36.225 -21.520
 1328   HE22  GLN 171          HE22      GLN 171 -33.361 -37.610 -21.684
 1329    H    SER 172           HN       SER 172 -36.915 -32.990 -21.568
 1330    HA   SER 172           HA       SER 172 -38.114 -32.688 -24.210
 1331    HB2  SER 172           HB2      SER 172 -40.097 -33.093 -23.169
 1332    HB3  SER 172           HB1      SER 172 -39.002 -33.902 -22.062
 1333    HG   SER 172           HG       SER 172 -39.399 -32.441 -20.597
 1334    H    PHE 173           HN       PHE 173 -40.183 -30.950 -23.319
 1335    HA   PHE 173           HA       PHE 173 -39.077 -28.460 -22.553
 1336    HB2  PHE 173           HB2      PHE 173 -39.221 -27.317 -24.739
 1337    HB3  PHE 173           HB1      PHE 173 -37.993 -28.587 -24.725
 1338    HD1  PHE 173           HD1      PHE 173 -41.423 -27.734 -25.817
 1339    HD2  PHE 173           HD2      PHE 173 -38.202 -30.557 -26.067
 1340    HE1  PHE 173           HE1      PHE 173 -42.562 -28.870 -27.693
 1341    HE2  PHE 173           HE2      PHE 173 -39.347 -31.700 -27.942
 1342    HZ   PHE 173           HZ       PHE 173 -41.533 -30.858 -28.759
 1343    H    ARG 174           HN       ARG 174 -40.647 -26.636 -23.498
 1344    HA   ARG 174           HA       ARG 174 -43.379 -27.490 -23.768
 1345    HB2  ARG 174           HB2      ARG 174 -44.073 -26.185 -21.689
 1346    HB3  ARG 174           HB1      ARG 174 -43.344 -27.766 -21.425
 1347    HG2  ARG 174           HG2      ARG 174 -41.274 -26.852 -20.759
 1348    HG3  ARG 174           HG1      ARG 174 -41.641 -25.273 -21.451
 1349    HD2  ARG 174           HD2      ARG 174 -43.157 -26.475 -19.123
 1350    HD3  ARG 174           HD1      ARG 174 -41.803 -25.359 -18.945
 1351    HE   ARG 174           HE       ARG 174 -43.656 -24.173 -20.679
 1352   HH11  ARG 174          HH21      ARG 174 -43.355 -25.226 -17.393
 1353   HH12  ARG 174          HH22      ARG 174 -44.461 -24.051 -16.767
 1354   HH21  ARG 174          HH11      ARG 174 -45.106 -22.617 -19.860
 1355   HH22  ARG 174          HH12      ARG 174 -45.453 -22.574 -18.162
 1356    H    ARG 175           HN       ARG 175 -44.466 -26.018 -24.899
 1357    HA   ARG 175           HA       ARG 175 -43.289 -23.820 -26.071
 1358    HB2  ARG 175           HB2      ARG 175 -45.566 -23.115 -26.663
 1359    HB3  ARG 175           HB1      ARG 175 -45.388 -24.855 -26.861
 1360    HG2  ARG 175           HG2      ARG 175 -46.363 -25.156 -24.566
 1361    HG3  ARG 175           HG1      ARG 175 -46.692 -23.426 -24.538
 1362    HD2  ARG 175           HD2      ARG 175 -48.068 -23.650 -26.572
 1363    HD3  ARG 175           HD1      ARG 175 -47.751 -25.381 -26.593
 1364    HE   ARG 175           HE       ARG 175 -48.814 -24.723 -24.076
 1365   HH11  ARG 175          HH21      ARG 175 -49.711 -24.796 -27.423
 1366   HH12  ARG 175          HH22      ARG 175 -51.389 -25.089 -27.104
 1367   HH21  ARG 175          HH11      ARG 175 -51.002 -25.107 -23.659
 1368   HH22  ARG 175          HH12      ARG 175 -52.119 -25.265 -24.972
 1369    H    ILE 176           HN       ILE 176 -42.943 -21.778 -25.587
 1370    HA   ILE 176           HA       ILE 176 -43.093 -20.900 -22.883
 1371    HB   ILE 176           HB       ILE 176 -42.705 -19.146 -25.321
 1372   HG12  ILE 176          HG12      ILE 176 -40.724 -20.860 -23.793
 1373   HG13  ILE 176          HG11      ILE 176 -41.161 -21.015 -25.496
 1374   HG21  ILE 176          HG21      ILE 176 -41.558 -17.692 -23.792
 1375   HG22  ILE 176          HG22      ILE 176 -41.556 -18.918 -22.525
 1376   HG23  ILE 176          HG23      ILE 176 -43.065 -18.139 -22.996
 1377   HD11  ILE 176          HD11      ILE 176 -39.419 -18.988 -24.167
 1378   HD12  ILE 176          HD12      ILE 176 -40.400 -18.446 -25.519
 1379   HD13  ILE 176          HD13      ILE 176 -39.248 -19.759 -25.742
 1380    H    VAL 177           HN       VAL 177 -44.590 -19.701 -21.845
 1381    HA   VAL 177           HA       VAL 177 -46.801 -18.506 -23.387
 1382    HB   VAL 177           HB       VAL 177 -48.423 -19.447 -21.763
 1383   HG11  VAL 177          HG11      VAL 177 -46.783 -21.630 -23.067
 1384   HG12  VAL 177          HG12      VAL 177 -47.837 -20.548 -23.978
 1385   HG13  VAL 177          HG13      VAL 177 -48.521 -21.630 -22.764
 1386   HG21  VAL 177          HG21      VAL 177 -46.956 -19.848 -19.873
 1387   HG22  VAL 177          HG22      VAL 177 -45.967 -20.958 -20.821
 1388   HG23  VAL 177          HG23      VAL 177 -47.618 -21.400 -20.386
 1389    H    GLU 178           HN       GLU 178 -47.969 -16.926 -22.227
 1390    HA   GLU 178           HA       GLU 178 -46.697 -15.897 -19.755
 1391    HB2  GLU 178           HB2      GLU 178 -45.826 -14.667 -21.766
 1392    HB3  GLU 178           HB1      GLU 178 -47.482 -14.162 -22.091
 1393    HG2  GLU 178           HG2      GLU 178 -47.605 -13.114 -19.860
 1394    HG3  GLU 178           HG1      GLU 178 -45.940 -13.594 -19.570
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1 -47.287  -9.712 -25.828
    2    H2   GLY   1           HT2      GLY   1 -46.450  -9.902 -27.296
    3    H3   GLY   1           HT3      GLY   1 -47.598 -11.059 -26.814
    4    HA2  GLY   1           HA2      GLY   1 -48.923  -9.932 -28.225
    5    HA3  GLY   1           HA1      GLY   1 -49.140  -8.912 -26.800
    6    H    SER   2           HN       SER   2 -49.014  -6.823 -27.314
    7    HA   SER   2           HA       SER   2 -46.797  -5.884 -29.025
    8    HB2  SER   2           HB2      SER   2 -48.437  -4.284 -30.096
    9    HB3  SER   2           HB1      SER   2 -48.620  -5.971 -30.568
   10    HG   SER   2           HG       SER   2 -50.021  -5.237 -28.315
   11    H    LYS   3           HN       LYS   3 -49.646  -4.559 -27.309
   12    HA   LYS   3           HA       LYS   3 -48.364  -2.170 -26.527
   13    HB2  LYS   3           HB2      LYS   3 -50.740  -3.622 -25.347
   14    HB3  LYS   3           HB1      LYS   3 -50.236  -1.998 -24.873
   15    HG2  LYS   3           HG2      LYS   3 -50.497  -1.224 -27.193
   16    HG3  LYS   3           HG1      LYS   3 -50.981  -2.848 -27.686
   17    HD2  LYS   3           HD2      LYS   3 -52.915  -2.738 -26.154
   18    HD3  LYS   3           HD1      LYS   3 -52.440  -1.106 -25.678
   19    HE2  LYS   3           HE2      LYS   3 -52.723  -0.321 -27.981
   20    HE3  LYS   3           HE1      LYS   3 -53.129  -1.956 -28.506
   21    HZ1  LYS   3           HZ1      LYS   3 -54.650  -0.390 -26.493
   22    HZ2  LYS   3           HZ2      LYS   3 -55.057  -1.927 -27.090
   23    HZ3  LYS   3           HZ3      LYS   3 -55.098  -0.576 -28.119
   24    H    THR   4           HN       THR   4 -48.913  -5.222 -24.773
   25    HA   THR   4           HA       THR   4 -47.987  -4.685 -22.286
   26    HB   THR   4           HB       THR   4 -47.173  -6.991 -22.161
   27    HG1  THR   4           HG1      THR   4 -46.896  -6.557 -24.852
   28   HG21  THR   4          HG21      THR   4 -49.626  -6.548 -22.221
   29   HG22  THR   4          HG22      THR   4 -49.207  -8.122 -22.898
   30   HG23  THR   4          HG23      THR   4 -49.597  -6.778 -23.970
   31    H    GLY   5           HN       GLY   5 -46.185  -3.955 -21.378
   32    HA2  GLY   5           HA2      GLY   5 -43.829  -3.461 -23.052
   33    HA3  GLY   5           HA1      GLY   5 -44.130  -2.801 -21.447
   34    H    THR   6           HN       THR   6 -41.798  -3.509 -21.279
   35    HA   THR   6           HA       THR   6 -41.706  -6.204 -20.084
   36    HB   THR   6           HB       THR   6 -39.418  -6.485 -21.107
   37    HG1  THR   6           HG1      THR   6 -40.285  -4.125 -22.352
   38   HG21  THR   6          HG21      THR   6 -41.708  -6.216 -23.071
   39   HG22  THR   6          HG22      THR   6 -41.445  -7.600 -22.010
   40   HG23  THR   6          HG23      THR   6 -40.274  -7.222 -23.273
   41    H    LYS   7           HN       LYS   7 -40.833  -6.153 -18.141
   42    HA   LYS   7           HA       LYS   7 -38.654  -4.390 -17.458
   43    HB2  LYS   7           HB2      LYS   7 -40.224  -2.702 -17.060
   44    HB3  LYS   7           HB1      LYS   7 -41.444  -3.839 -16.499
   45    HG2  LYS   7           HG2      LYS   7 -40.380  -4.138 -14.401
   46    HG3  LYS   7           HG1      LYS   7 -38.869  -3.420 -14.981
   47    HD2  LYS   7           HD2      LYS   7 -39.764  -1.238 -14.953
   48    HD3  LYS   7           HD1      LYS   7 -41.424  -1.820 -14.876
   49    HE2  LYS   7           HE2      LYS   7 -41.187  -2.511 -12.611
   50    HE3  LYS   7           HE1      LYS   7 -39.431  -2.389 -12.673
   51    HZ1  LYS   7           HZ1      LYS   7 -40.918   0.036 -13.279
   52    HZ2  LYS   7           HZ2      LYS   7 -39.482  -0.169 -12.396
   53    HZ3  LYS   7           HZ3      LYS   7 -40.983  -0.494 -11.668
   54    H    ILE   8           HN       ILE   8 -37.658  -4.922 -15.468
   55    HA   ILE   8           HA       ILE   8 -38.824  -7.103 -13.903
   56    HB   ILE   8           HB       ILE   8 -37.506  -8.212 -15.700
   57   HG12  ILE   8          HG12      ILE   8 -36.099  -8.541 -13.042
   58   HG13  ILE   8          HG11      ILE   8 -37.770  -9.068 -13.269
   59   HG21  ILE   8          HG21      ILE   8 -35.055  -8.022 -15.609
   60   HG22  ILE   8          HG22      ILE   8 -35.183  -6.771 -14.383
   61   HG23  ILE   8          HG23      ILE   8 -35.796  -6.477 -16.009
   62   HD11  ILE   8          HD11      ILE   8 -37.170 -10.665 -14.903
   63   HD12  ILE   8          HD12      ILE   8 -35.895 -10.808 -13.696
   64   HD13  ILE   8          HD13      ILE   8 -35.598  -9.921 -15.190
   65    H    THR   9           HN       THR   9 -38.181  -7.181 -11.783
   66    HA   THR   9           HA       THR   9 -36.201  -5.166 -10.948
   67    HB   THR   9           HB       THR   9 -38.818  -5.831  -9.597
   68    HG1  THR   9           HG1      THR   9 -39.121  -4.433 -11.291
   69   HG21  THR   9          HG21      THR   9 -38.092  -3.934  -8.078
   70   HG22  THR   9          HG22      THR   9 -36.489  -4.084  -8.794
   71   HG23  THR   9          HG23      THR   9 -37.180  -5.432  -7.896
   72    H    PHE  10           HN       PHE  10 -34.772  -5.740  -9.417
   73    HA   PHE  10           HA       PHE  10 -34.947  -8.500  -8.335
   74    HB2  PHE  10           HB2      PHE  10 -32.437  -6.946  -8.967
   75    HB3  PHE  10           HB1      PHE  10 -32.556  -8.641  -8.497
   76    HD1  PHE  10           HD2      PHE  10 -33.668 -10.279 -10.059
   77    HD2  PHE  10           HD1      PHE  10 -32.750  -6.252 -11.221
   78    HE1  PHE  10           HE2      PHE  10 -33.919 -10.913 -12.444
   79    HE2  PHE  10           HE1      PHE  10 -32.998  -6.880 -13.606
   80    HZ   PHE  10           HZ       PHE  10 -33.586  -9.211 -14.217
   81    H    TYR  11           HN       TYR  11 -35.376  -8.413  -6.222
   82    HA   TYR  11           HA       TYR  11 -34.610  -6.063  -4.653
   83    HB2  TYR  11           HB2      TYR  11 -36.428  -8.424  -4.153
   84    HB3  TYR  11           HB1      TYR  11 -36.045  -7.231  -2.921
   85    HD1  TYR  11           HD2      TYR  11 -36.760  -4.898  -3.136
   86    HD2  TYR  11           HD1      TYR  11 -37.832  -7.852  -6.071
   87    HE1  TYR  11           HE2      TYR  11 -38.521  -3.388  -4.013
   88    HE2  TYR  11           HE1      TYR  11 -39.595  -6.342  -6.941
   89    HH   TYR  11           HH       TYR  11 -40.894  -4.476  -6.312
   90    H    GLU  12           HN       GLU  12 -33.196  -6.081  -3.045
   91    HA   GLU  12           HA       GLU  12 -31.161  -8.007  -3.009
   92    HB2  GLU  12           HB2      GLU  12 -31.233  -5.529  -2.139
   93    HB3  GLU  12           HB1      GLU  12 -31.692  -6.276  -0.614
   94    HG2  GLU  12           HG2      GLU  12 -29.249  -7.132  -2.190
   95    HG3  GLU  12           HG1      GLU  12 -29.204  -5.891  -0.951
   96    H    ASP  13           HN       ASP  13 -33.809  -7.411  -0.697
   97    HA   ASP  13           HA       ASP  13 -33.270 -10.011   0.555
   98    HB2  ASP  13           HB2      ASP  13 -35.041  -7.695   1.364
   99    HB3  ASP  13           HB1      ASP  13 -34.914  -9.211   2.254
  100    H    LYS  14           HN       LYS  14 -35.560 -10.847   1.418
  101    HA   LYS  14           HA       LYS  14 -36.948 -11.710  -0.972
  102    HB2  LYS  14           HB2      LYS  14 -37.161 -12.438   1.940
  103    HB3  LYS  14           HB1      LYS  14 -38.282 -13.057   0.727
  104    HG2  LYS  14           HG2      LYS  14 -36.527 -14.117  -0.504
  105    HG3  LYS  14           HG1      LYS  14 -35.279 -13.304   0.437
  106    HD2  LYS  14           HD2      LYS  14 -37.275 -15.073   1.846
  107    HD3  LYS  14           HD1      LYS  14 -35.924 -15.808   0.984
  108    HE2  LYS  14           HE2      LYS  14 -34.331 -14.495   2.302
  109    HE3  LYS  14           HE1      LYS  14 -35.653 -13.676   3.128
  110    HZ1  LYS  14           HZ1      LYS  14 -34.489 -16.170   3.721
  111    HZ2  LYS  14           HZ2      LYS  14 -36.130 -16.400   3.344
  112    HZ3  LYS  14           HZ3      LYS  14 -35.681 -15.324   4.582
  113    H    ASN  15           HN       ASN  15 -39.443 -12.042  -0.415
  114    HA   ASN  15           HA       ASN  15 -41.457 -10.968  -0.582
  115    HB2  ASN  15           HB2      ASN  15 -40.559  -9.383   1.825
  116    HB3  ASN  15           HB1      ASN  15 -42.170  -9.982   1.433
  117   HD21  ASN  15          HD21      ASN  15 -40.781 -12.634   0.581
  118   HD22  ASN  15          HD22      ASN  15 -40.506 -13.417   2.065
  119    H    PHE  16           HN       PHE  16 -39.064  -9.661  -1.840
  120    HA   PHE  16           HA       PHE  16 -38.635  -7.793  -3.045
  121    HB2  PHE  16           HB2      PHE  16 -41.341  -6.657  -2.424
  122    HB3  PHE  16           HB1      PHE  16 -40.425  -6.596  -3.929
  123    HD1  PHE  16           HD2      PHE  16 -40.020  -8.795  -5.168
  124    HD2  PHE  16           HD1      PHE  16 -42.975  -8.334  -2.092
  125    HE1  PHE  16           HE2      PHE  16 -41.206 -10.801  -6.010
  126    HE2  PHE  16           HE1      PHE  16 -44.162 -10.342  -2.929
  127    HZ   PHE  16           HZ       PHE  16 -43.276 -11.580  -4.884
  128    H    GLN  17           HN       GLN  17 -37.808  -7.779  -0.379
  129    HA   GLN  17           HA       GLN  17 -38.288  -5.015   0.532
  130    HB2  GLN  17           HB2      GLN  17 -37.347  -7.498   1.979
  131    HB3  GLN  17           HB1      GLN  17 -37.287  -5.883   2.688
  132    HG2  GLN  17           HG2      GLN  17 -39.693  -5.630   2.438
  133    HG3  GLN  17           HG1      GLN  17 -39.796  -7.171   1.585
  134   HE21  GLN  17          HE21      GLN  17 -38.784  -9.089   2.962
  135   HE22  GLN  17          HE22      GLN  17 -39.203  -9.094   4.613
  136    H    GLY  18           HN       GLY  18 -36.288  -4.231   1.828
  137    HA2  GLY  18           HA2      GLY  18 -34.104  -3.522   1.811
  138    HA3  GLY  18           HA1      GLY  18 -33.703  -5.018   0.976
  139    H    ARG  19           HN       ARG  19 -32.225  -3.780  -0.201
  140    HA   ARG  19           HA       ARG  19 -32.789  -1.566  -1.830
  141    HB2  ARG  19           HB2      ARG  19 -30.530  -3.102  -1.422
  142    HB3  ARG  19           HB1      ARG  19 -30.926  -3.497  -3.087
  143    HG2  ARG  19           HG2      ARG  19 -31.019  -1.094  -3.642
  144    HG3  ARG  19           HG1      ARG  19 -30.562  -0.703  -1.985
  145    HD2  ARG  19           HD2      ARG  19 -28.457  -1.930  -2.258
  146    HD3  ARG  19           HD1      ARG  19 -28.918  -2.386  -3.895
  147    HE   ARG  19           HE       ARG  19 -29.019   0.425  -3.666
  148   HH11  ARG  19          HH21      ARG  19 -26.809  -2.229  -3.677
  149   HH12  ARG  19          HH22      ARG  19 -25.491  -1.311  -4.324
  150   HH21  ARG  19          HH11      ARG  19 -27.309   1.639  -4.512
  151   HH22  ARG  19          HH12      ARG  19 -25.775   0.888  -4.798
  152    H    ARG  20           HN       ARG  20 -32.634  -1.820  -4.416
  153    HA   ARG  20           HA       ARG  20 -33.890  -4.070  -5.559
  154    HB2  ARG  20           HB2      ARG  20 -36.068  -3.185  -6.074
  155    HB3  ARG  20           HB1      ARG  20 -35.837  -3.062  -4.328
  156    HG2  ARG  20           HG2      ARG  20 -36.418  -0.863  -4.578
  157    HG3  ARG  20           HG1      ARG  20 -34.786  -0.645  -5.213
  158    HD2  ARG  20           HD2      ARG  20 -35.808  -1.313  -7.506
  159    HD3  ARG  20           HD1      ARG  20 -37.362  -1.003  -6.739
  160    HE   ARG  20           HE       ARG  20 -35.491   1.162  -6.385
  161   HH11  ARG  20          HH21      ARG  20 -37.807  -0.339  -8.443
  162   HH12  ARG  20          HH22      ARG  20 -38.218   1.114  -9.292
  163   HH21  ARG  20          HH11      ARG  20 -36.015   3.095  -7.480
  164   HH22  ARG  20          HH12      ARG  20 -37.200   3.065  -8.744
  165    H    TYR  21           HN       TYR  21 -33.970  -3.894  -7.861
  166    HA   TYR  21           HA       TYR  21 -32.827  -1.398  -8.981
  167    HB2  TYR  21           HB2      TYR  21 -31.112  -3.251  -8.842
  168    HB3  TYR  21           HB1      TYR  21 -32.145  -4.188  -9.929
  169    HD1  TYR  21           HD1      TYR  21 -30.730  -0.721  -9.675
  170    HD2  TYR  21           HD2      TYR  21 -31.690  -4.041 -12.228
  171    HE1  TYR  21           HE1      TYR  21 -29.766   0.486 -11.608
  172    HE2  TYR  21           HE2      TYR  21 -30.719  -2.832 -14.162
  173    HH   TYR  21           HH       TYR  21 -29.131   0.321 -13.742
  174    H    ASP  22           HN       ASP  22 -33.938  -0.600 -10.667
  175    HA   ASP  22           HA       ASP  22 -36.010  -2.322 -11.926
  176    HB2  ASP  22           HB2      ASP  22 -37.318  -0.236 -12.241
  177    HB3  ASP  22           HB1      ASP  22 -37.054  -0.613 -10.540
  178    H    CYS  23           HN       CYS  23 -35.732  -2.672 -14.019
  179    HA   CYS  23           HA       CYS  23 -34.682  -0.580 -15.760
  180    HB2  CYS  23           HB2      CYS  23 -32.739  -1.987 -14.869
  181    HB3  CYS  23           HB1      CYS  23 -33.408  -3.307 -15.828
  182    HG   CYS  23           HG       CYS  23 -32.407  -0.613 -17.072
  183    H    ASP  24           HN       ASP  24 -35.416  -0.740 -17.836
  184    HA   ASP  24           HA       ASP  24 -37.118  -3.054 -18.501
  185    HB2  ASP  24           HB2      ASP  24 -38.699  -1.571 -19.545
  186    HB3  ASP  24           HB1      ASP  24 -38.423  -1.000 -17.903
  187    H    CYS  25           HN       CYS  25 -34.269  -2.297 -19.169
  188    HA   CYS  25           HA       CYS  25 -34.496  -2.747 -22.061
  189    HB2  CYS  25           HB2      CYS  25 -34.263  -0.235 -21.560
  190    HB3  CYS  25           HB1      CYS  25 -32.627  -0.616 -21.023
  191    HG   CYS  25           HG       CYS  25 -33.638  -0.766 -23.945
  192    H    ASP  26           HN       ASP  26 -32.851  -3.972 -22.896
  193    HA   ASP  26           HA       ASP  26 -31.475  -5.812 -21.515
  194    HB2  ASP  26           HB2      ASP  26 -30.461  -4.294 -23.926
  195    HB3  ASP  26           HB1      ASP  26 -29.775  -5.809 -23.339
  196    H    CYS  27           HN       CYS  27 -29.267  -6.048 -20.771
  197    HA   CYS  27           HA       CYS  27 -27.679  -3.676 -20.295
  198    HB2  CYS  27           HB2      CYS  27 -29.198  -3.396 -18.455
  199    HB3  CYS  27           HB1      CYS  27 -29.057  -5.094 -18.005
  200    HG   CYS  27           HG       CYS  27 -26.968  -4.583 -16.773
  201    H    ALA  28           HN       ALA  28 -25.637  -4.227 -19.126
  202    HA   ALA  28           HA       ALA  28 -24.708  -6.870 -20.007
  203    HB1  ALA  28           HB1      ALA  28 -23.281  -5.082 -20.675
  204    HB2  ALA  28           HB2      ALA  28 -22.452  -5.896 -19.350
  205    HB3  ALA  28           HB3      ALA  28 -23.293  -4.375 -19.060
  206    H    ASP  29           HN       ASP  29 -24.399  -4.839 -17.094
  207    HA   ASP  29           HA       ASP  29 -24.831  -7.142 -15.363
  208    HB2  ASP  29           HB2      ASP  29 -22.713  -6.827 -14.137
  209    HB3  ASP  29           HB1      ASP  29 -22.434  -7.306 -15.810
  210    H    PHE  30           HN       PHE  30 -26.346  -6.350 -14.078
  211    HA   PHE  30           HA       PHE  30 -26.166  -3.571 -13.113
  212    HB2  PHE  30           HB2      PHE  30 -28.460  -3.579 -12.893
  213    HB3  PHE  30           HB1      PHE  30 -28.296  -4.767 -14.181
  214    HD1  PHE  30           HD2      PHE  30 -28.286  -7.228 -13.577
  215    HD2  PHE  30           HD1      PHE  30 -29.326  -4.172 -10.765
  216    HE1  PHE  30           HE2      PHE  30 -29.362  -8.934 -12.122
  217    HE2  PHE  30           HE1      PHE  30 -30.405  -5.860  -9.319
  218    HZ   PHE  30           HZ       PHE  30 -30.423  -8.245  -9.994
  219    H    HIS  31           HN       HIS  31 -24.830  -6.267 -12.200
  220    HA   HIS  31           HA       HIS  31 -25.684  -6.802  -9.570
  221    HB2  HIS  31           HB2      HIS  31 -24.174  -8.307 -10.768
  222    HB3  HIS  31           HB1      HIS  31 -22.915  -7.067 -10.752
  223    HD2  HIS  31           HD2      HIS  31 -21.607  -6.734  -8.262
  224    HE1  HIS  31           HE1      HIS  31 -23.703  -9.779  -6.223
  225    HE2  HIS  31           HE2      HIS  31 -21.752  -8.159  -6.080
  226    H    THR  32           HN       THR  32 -23.767  -4.260 -10.924
  227    HA   THR  32           HA       THR  32 -22.468  -3.404  -8.562
  228    HB   THR  32           HB       THR  32 -22.270  -1.210  -9.708
  229    HG1  THR  32           HG1      THR  32 -23.183  -1.805 -12.068
  230   HG21  THR  32          HG21      THR  32 -20.682  -3.025 -10.178
  231   HG22  THR  32          HG22      THR  32 -20.984  -2.073 -11.633
  232   HG23  THR  32          HG23      THR  32 -21.753  -3.648 -11.433
  233    H    TYR  33           HN       TYR  33 -25.701  -2.870  -9.793
  234    HA   TYR  33           HA       TYR  33 -26.319  -0.834  -7.814
  235    HB2  TYR  33           HB2      TYR  33 -28.025  -2.274  -9.851
  236    HB3  TYR  33           HB1      TYR  33 -28.589  -0.968  -8.813
  237    HD1  TYR  33           HD2      TYR  33 -27.297   1.278  -8.894
  238    HD2  TYR  33           HD1      TYR  33 -26.939  -1.777 -11.884
  239    HE1  TYR  33           HE2      TYR  33 -26.373   2.942 -10.484
  240    HE2  TYR  33           HE1      TYR  33 -26.011  -0.120 -13.474
  241    HH   TYR  33           HH       TYR  33 -26.182   2.463 -13.741
  242    H    LEU  34           HN       LEU  34 -26.263  -4.216  -7.937
  243    HA   LEU  34           HA       LEU  34 -27.763  -4.344  -5.418
  244    HB2  LEU  34           HB2      LEU  34 -29.267  -4.885  -7.439
  245    HB3  LEU  34           HB1      LEU  34 -28.313  -6.358  -7.589
  246    HG   LEU  34           HG       LEU  34 -28.849  -6.884  -5.210
  247   HD11  LEU  34          HD11      LEU  34 -30.242  -4.263  -5.417
  248   HD12  LEU  34          HD12      LEU  34 -29.470  -5.028  -4.029
  249   HD13  LEU  34          HD13      LEU  34 -31.085  -5.530  -4.523
  250   HD21  LEU  34          HD21      LEU  34 -30.168  -8.005  -6.843
  251   HD22  LEU  34          HD22      LEU  34 -31.073  -6.539  -7.199
  252   HD23  LEU  34          HD23      LEU  34 -31.325  -7.370  -5.669
  253    H    SER  35           HN       SER  35 -26.968  -5.801  -3.974
  254    HA   SER  35           HA       SER  35 -24.466  -7.148  -4.749
  255    HB2  SER  35           HB2      SER  35 -24.395  -7.505  -2.171
  256    HB3  SER  35           HB1      SER  35 -24.119  -5.884  -2.807
  257    HG   SER  35           HG       SER  35 -26.640  -6.885  -1.980
  258    H    ARG  36           HN       ARG  36 -27.734  -7.849  -4.268
  259    HA   ARG  36           HA       ARG  36 -27.233 -10.691  -4.480
  260    HB2  ARG  36           HB2      ARG  36 -27.119 -10.178  -2.002
  261    HB3  ARG  36           HB1      ARG  36 -28.809  -9.686  -2.116
  262    HG2  ARG  36           HG2      ARG  36 -29.361 -11.915  -3.073
  263    HG3  ARG  36           HG1      ARG  36 -27.689 -12.397  -2.819
  264    HD2  ARG  36           HD2      ARG  36 -29.304 -13.098  -1.007
  265    HD3  ARG  36           HD1      ARG  36 -27.899 -12.204  -0.443
  266    HE   ARG  36           HE       ARG  36 -30.034 -10.411  -0.969
  267   HH11  ARG  36          HH21      ARG  36 -29.011 -12.895   1.224
  268   HH12  ARG  36          HH22      ARG  36 -29.904 -12.264   2.567
  269   HH21  ARG  36          HH11      ARG  36 -31.204  -9.587   0.789
  270   HH22  ARG  36          HH12      ARG  36 -31.145 -10.393   2.321
  271    H    CYS  37           HN       CYS  37 -29.003 -11.812  -5.274
  272    HA   CYS  37           HA       CYS  37 -31.288 -10.121  -6.097
  273    HB2  CYS  37           HB2      CYS  37 -30.553 -12.728  -7.384
  274    HB3  CYS  37           HB1      CYS  37 -31.375 -11.333  -8.083
  275    HG   CYS  37           HG       CYS  37 -28.375 -11.761  -8.014
  276    H    ASN  38           HN       ASN  38 -32.809 -10.377  -4.637
  277    HA   ASN  38           HA       ASN  38 -33.805 -13.100  -4.096
  278    HB2  ASN  38           HB2      ASN  38 -33.610 -10.769  -2.191
  279    HB3  ASN  38           HB1      ASN  38 -34.525 -12.235  -1.866
  280   HD21  ASN  38          HD21      ASN  38 -32.415 -11.610  -0.147
  281   HD22  ASN  38          HD22      ASN  38 -31.128 -12.693  -0.405
  282    H    SER  39           HN       SER  39 -36.061 -13.173  -3.754
  283    HA   SER  39           HA       SER  39 -38.114 -12.830  -4.713
  284    HB2  SER  39           HB2      SER  39 -39.163 -10.719  -3.724
  285    HB3  SER  39           HB1      SER  39 -38.506 -11.895  -2.604
  286    HG   SER  39           HG       SER  39 -37.900  -9.407  -2.677
  287    H    ILE  40           HN       ILE  40 -39.001 -12.309  -6.516
  288    HA   ILE  40           HA       ILE  40 -38.238  -9.814  -7.904
  289    HB   ILE  40           HB       ILE  40 -37.852 -12.619  -8.922
  290   HG12  ILE  40          HG12      ILE  40 -36.009 -10.256  -9.333
  291   HG13  ILE  40          HG11      ILE  40 -35.993 -11.123  -7.796
  292   HG21  ILE  40          HG21      ILE  40 -39.038 -11.706 -10.734
  293   HG22  ILE  40          HG22      ILE  40 -37.350 -11.427 -11.170
  294   HG23  ILE  40          HG23      ILE  40 -38.326 -10.108 -10.516
  295   HD11  ILE  40          HD11      ILE  40 -35.748 -13.270  -9.305
  296   HD12  ILE  40          HD12      ILE  40 -34.343 -12.245  -9.047
  297   HD13  ILE  40          HD13      ILE  40 -35.253 -12.121 -10.549
  298    H    LYS  41           HN       LYS  41 -39.723  -8.990  -9.273
  299    HA   LYS  41           HA       LYS  41 -42.084 -10.518 -10.042
  300    HB2  LYS  41           HB2      LYS  41 -43.554  -8.609  -9.105
  301    HB3  LYS  41           HB1      LYS  41 -42.984  -9.857  -8.002
  302    HG2  LYS  41           HG2      LYS  41 -41.368  -8.481  -7.057
  303    HG3  LYS  41           HG1      LYS  41 -41.367  -7.364  -8.406
  304    HD2  LYS  41           HD2      LYS  41 -42.539  -6.558  -6.273
  305    HD3  LYS  41           HD1      LYS  41 -43.445  -6.414  -7.777
  306    HE2  LYS  41           HE2      LYS  41 -44.873  -8.181  -7.241
  307    HE3  LYS  41           HE1      LYS  41 -43.736  -8.898  -6.100
  308    HZ1  LYS  41           HZ1      LYS  41 -45.739  -6.896  -5.656
  309    HZ2  LYS  41           HZ2      LYS  41 -44.211  -6.412  -5.088
  310    HZ3  LYS  41           HZ3      LYS  41 -44.906  -7.857  -4.533
  311    H    VAL  42           HN       VAL  42 -41.823 -10.153 -12.194
  312    HA   VAL  42           HA       VAL  42 -40.948  -7.718 -13.255
  313    HB   VAL  42           HB       VAL  42 -42.295 -10.199 -14.299
  314   HG11  VAL  42          HG11      VAL  42 -41.792  -9.052 -16.626
  315   HG12  VAL  42          HG12      VAL  42 -42.007  -7.575 -15.718
  316   HG13  VAL  42          HG13      VAL  42 -43.295  -8.737 -15.792
  317   HG21  VAL  42          HG21      VAL  42 -39.663  -8.914 -15.085
  318   HG22  VAL  42          HG22      VAL  42 -40.203 -10.554 -15.429
  319   HG23  VAL  42          HG23      VAL  42 -39.812 -10.085 -13.776
  320    H    GLU  43           HN       GLU  43 -42.065  -6.151 -14.335
  321    HA   GLU  43           HA       GLU  43 -44.961  -5.939 -13.778
  322    HB2  GLU  43           HB2      GLU  43 -42.791  -3.849 -13.664
  323    HB3  GLU  43           HB1      GLU  43 -44.506  -3.456 -13.708
  324    HG2  GLU  43           HG2      GLU  43 -43.224  -5.265 -11.647
  325    HG3  GLU  43           HG1      GLU  43 -43.566  -3.556 -11.382
  326    H    GLY  44           HN       GLY  44 -44.235  -7.174 -16.075
  327    HA2  GLY  44           HA2      GLY  44 -45.296  -5.411 -18.070
  328    HA3  GLY  44           HA1      GLY  44 -43.581  -5.707 -18.313
  329    H    GLY  45           HN       GLY  45 -42.885  -7.680 -19.083
  330    HA2  GLY  45           HA2      GLY  45 -44.925  -9.761 -19.629
  331    HA3  GLY  45           HA1      GLY  45 -43.878  -9.160 -20.913
  332    H    THR  46           HN       THR  46 -42.726 -11.024 -21.329
  333    HA   THR  46           HA       THR  46 -41.552 -12.565 -19.185
  334    HB   THR  46           HB       THR  46 -41.182 -12.774 -22.183
  335    HG1  THR  46           HG1      THR  46 -42.892 -14.052 -20.330
  336   HG21  THR  46          HG21      THR  46 -40.286 -14.449 -19.846
  337   HG22  THR  46          HG22      THR  46 -39.354 -13.906 -21.243
  338   HG23  THR  46          HG23      THR  46 -40.560 -15.177 -21.430
  339    H    TRP  47           HN       TRP  47 -39.182 -13.118 -19.301
  340    HA   TRP  47           HA       TRP  47 -37.407 -11.048 -20.307
  341    HB2  TRP  47           HB2      TRP  47 -38.157 -11.329 -17.432
  342    HB3  TRP  47           HB1      TRP  47 -36.453 -11.047 -17.771
  343    HD1  TRP  47           HD1      TRP  47 -39.673  -9.331 -17.424
  344    HE1  TRP  47           HE1      TRP  47 -39.415  -6.839 -18.026
  345    HE3  TRP  47           HE3      TRP  47 -35.131  -9.456 -19.728
  346    HZ2  TRP  47           HZ2      TRP  47 -37.562  -5.146 -19.381
  347    HZ3  TRP  47           HZ3      TRP  47 -34.138  -7.384 -20.663
  348    HH2  TRP  47           HH2      TRP  47 -35.350  -5.234 -20.497
  349    H    ALA  48           HN       ALA  48 -35.230 -11.606 -20.142
  350    HA   ALA  48           HA       ALA  48 -34.677 -14.482 -19.645
  351    HB1  ALA  48           HB1      ALA  48 -33.620 -12.566 -21.708
  352    HB2  ALA  48           HB2      ALA  48 -34.333 -14.160 -21.943
  353    HB3  ALA  48           HB3      ALA  48 -32.720 -14.012 -21.251
  354    H    VAL  49           HN       VAL  49 -33.451 -14.789 -17.905
  355    HA   VAL  49           HA       VAL  49 -31.632 -12.602 -17.046
  356    HB   VAL  49           HB       VAL  49 -31.915 -13.757 -14.762
  357   HG11  VAL  49          HG11      VAL  49 -33.022 -11.584 -15.511
  358   HG12  VAL  49          HG12      VAL  49 -33.866 -12.467 -14.238
  359   HG13  VAL  49          HG13      VAL  49 -34.446 -12.549 -15.901
  360   HG21  VAL  49          HG21      VAL  49 -34.407 -14.848 -16.085
  361   HG22  VAL  49          HG22      VAL  49 -33.857 -15.132 -14.434
  362   HG23  VAL  49          HG23      VAL  49 -32.967 -15.820 -15.793
  363    H    TYR  50           HN       TYR  50 -29.544 -13.036 -16.925
  364    HA   TYR  50           HA       TYR  50 -28.632 -15.817 -17.350
  365    HB2  TYR  50           HB2      TYR  50 -27.237 -13.149 -17.692
  366    HB3  TYR  50           HB1      TYR  50 -26.464 -14.715 -17.926
  367    HD1  TYR  50           HD1      TYR  50 -29.241 -12.540 -19.112
  368    HD2  TYR  50           HD2      TYR  50 -26.762 -15.948 -19.943
  369    HE1  TYR  50           HE1      TYR  50 -30.141 -12.634 -21.421
  370    HE2  TYR  50           HE2      TYR  50 -27.663 -16.041 -22.252
  371    HH   TYR  50           HH       TYR  50 -28.961 -15.051 -23.757
  372    H    GLU  51           HN       GLU  51 -28.340 -16.816 -15.459
  373    HA   GLU  51           HA       GLU  51 -28.090 -15.947 -12.946
  374    HB2  GLU  51           HB2      GLU  51 -27.970 -18.334 -13.610
  375    HB3  GLU  51           HB1      GLU  51 -26.301 -18.084 -14.122
  376    HG2  GLU  51           HG2      GLU  51 -25.700 -17.399 -11.813
  377    HG3  GLU  51           HG1      GLU  51 -27.363 -17.683 -11.311
  378    H    ARG  52           HN       ARG  52 -25.528 -15.817 -15.357
  379    HA   ARG  52           HA       ARG  52 -23.811 -14.395 -13.415
  380    HB2  ARG  52           HB2      ARG  52 -23.001 -15.893 -15.920
  381    HB3  ARG  52           HB1      ARG  52 -21.909 -15.150 -14.748
  382    HG2  ARG  52           HG2      ARG  52 -22.964 -16.635 -12.983
  383    HG3  ARG  52           HG1      ARG  52 -23.781 -17.485 -14.292
  384    HD2  ARG  52           HD2      ARG  52 -20.893 -17.482 -13.549
  385    HD3  ARG  52           HD1      ARG  52 -21.881 -18.791 -14.178
  386    HE   ARG  52           HE       ARG  52 -21.692 -17.078 -16.290
  387   HH11  ARG  52          HH21      ARG  52 -19.429 -18.549 -14.119
  388   HH12  ARG  52          HH22      ARG  52 -18.144 -18.601 -15.278
  389   HH21  ARG  52          HH11      ARG  52 -20.000 -17.130 -17.808
  390   HH22  ARG  52          HH12      ARG  52 -18.467 -17.800 -17.364
  391    HA   PRO  53           HA       PRO  53 -24.199 -10.804 -16.011
  392    HB2  PRO  53           HB2      PRO  53 -21.837  -9.519 -15.432
  393    HB3  PRO  53           HB1      PRO  53 -23.203  -9.562 -14.302
  394    HG2  PRO  53           HG2      PRO  53 -20.744 -11.249 -14.360
  395    HG3  PRO  53           HG1      PRO  53 -21.563 -10.502 -12.975
  396    HD2  PRO  53           HD2      PRO  53 -21.875 -13.133 -13.572
  397    HD3  PRO  53           HD1      PRO  53 -23.193 -12.175 -12.861
  398    H    ASN  54           HN       ASN  54 -23.261  -9.765 -17.854
  399    HA   ASN  54           HA       ASN  54 -21.956  -9.572 -19.736
  400    HB2  ASN  54           HB2      ASN  54 -20.426 -12.072 -19.055
  401    HB3  ASN  54           HB1      ASN  54 -19.911 -10.666 -19.978
  402   HD21  ASN  54          HD21      ASN  54 -20.654  -8.581 -18.266
  403   HD22  ASN  54          HD22      ASN  54 -19.762  -8.686 -16.826
  404    H    PHE  55           HN       PHE  55 -23.962 -12.048 -18.838
  405    HA   PHE  55           HA       PHE  55 -25.468 -13.203 -20.125
  406    HB2  PHE  55           HB2      PHE  55 -23.760 -12.817 -22.586
  407    HB3  PHE  55           HB1      PHE  55 -25.474 -13.182 -22.480
  408    HD1  PHE  55           HD2      PHE  55 -26.755 -11.417 -20.813
  409    HD2  PHE  55           HD1      PHE  55 -23.314 -10.594 -23.245
  410    HE1  PHE  55           HE2      PHE  55 -27.328  -9.014 -20.802
  411    HE2  PHE  55           HE1      PHE  55 -23.890  -8.181 -23.240
  412    HZ   PHE  55           HZ       PHE  55 -25.905  -7.391 -22.019
  413    H    ALA  56           HN       ALA  56 -24.116 -14.606 -18.565
  414    HA   ALA  56           HA       ALA  56 -23.328 -16.981 -20.105
  415    HB1  ALA  56           HB1      ALA  56 -21.594 -16.089 -17.811
  416    HB2  ALA  56           HB2      ALA  56 -21.268 -15.567 -19.466
  417    HB3  ALA  56           HB3      ALA  56 -21.250 -17.284 -19.063
  418    H    GLY  57           HN       GLY  57 -23.056 -18.896 -18.607
  419    HA2  GLY  57           HA2      GLY  57 -23.686 -20.154 -16.723
  420    HA3  GLY  57           HA1      GLY  57 -24.499 -18.732 -16.070
  421    H    TYR  58           HN       TYR  58 -26.308 -20.093 -15.583
  422    HA   TYR  58           HA       TYR  58 -27.771 -21.319 -17.770
  423    HB2  TYR  58           HB2      TYR  58 -28.856 -20.900 -14.994
  424    HB3  TYR  58           HB1      TYR  58 -29.188 -22.209 -16.127
  425    HD1  TYR  58           HD2      TYR  58 -26.580 -23.133 -17.003
  426    HD2  TYR  58           HD1      TYR  58 -27.808 -21.800 -13.105
  427    HE1  TYR  58           HE2      TYR  58 -24.765 -24.465 -15.972
  428    HE2  TYR  58           HE1      TYR  58 -25.993 -23.132 -12.078
  429    HH   TYR  58           HH       TYR  58 -24.558 -25.525 -13.281
  430    H    MET  59           HN       MET  59 -28.935 -20.131 -19.108
  431    HA   MET  59           HA       MET  59 -29.960 -17.521 -18.297
  432    HB2  MET  59           HB2      MET  59 -30.823 -17.725 -20.824
  433    HB3  MET  59           HB1      MET  59 -29.147 -17.329 -20.454
  434    HG2  MET  59           HG2      MET  59 -29.988 -20.204 -20.748
  435    HG3  MET  59           HG1      MET  59 -29.614 -19.227 -22.168
  436    HE1  MET  59           HE1      MET  59 -26.565 -21.648 -21.318
  437    HE2  MET  59           HE2      MET  59 -27.648 -21.158 -22.618
  438    HE3  MET  59           HE3      MET  59 -28.312 -21.867 -21.148
  439    H    TYR  60           HN       TYR  60 -31.667 -17.818 -16.942
  440    HA   TYR  60           HA       TYR  60 -33.844 -19.635 -17.716
  441    HB2  TYR  60           HB2      TYR  60 -33.013 -18.256 -15.195
  442    HB3  TYR  60           HB1      TYR  60 -34.737 -18.544 -15.408
  443    HD1  TYR  60           HD1      TYR  60 -31.404 -20.245 -15.462
  444    HD2  TYR  60           HD2      TYR  60 -35.659 -20.689 -15.070
  445    HE1  TYR  60           HE1      TYR  60 -31.099 -22.620 -14.829
  446    HE2  TYR  60           HE2      TYR  60 -35.355 -23.071 -14.447
  447    HH   TYR  60           HH       TYR  60 -32.123 -24.455 -14.006
  448    H    ILE  61           HN       ILE  61 -35.917 -18.941 -18.127
  449    HA   ILE  61           HA       ILE  61 -36.141 -16.122 -18.955
  450    HB   ILE  61           HB       ILE  61 -37.649 -18.611 -19.785
  451   HG12  ILE  61          HG12      ILE  61 -36.728 -17.678 -22.080
  452   HG13  ILE  61          HG11      ILE  61 -35.570 -16.825 -21.066
  453   HG21  ILE  61          HG21      ILE  61 -38.687 -16.918 -21.461
  454   HG22  ILE  61          HG22      ILE  61 -38.155 -15.682 -20.320
  455   HG23  ILE  61          HG23      ILE  61 -39.301 -16.920 -19.807
  456   HD11  ILE  61          HD11      ILE  61 -34.751 -19.054 -21.879
  457   HD12  ILE  61          HD12      ILE  61 -36.038 -19.824 -20.955
  458   HD13  ILE  61          HD13      ILE  61 -34.770 -18.923 -20.124
  459    H    LEU  62           HN       LEU  62 -36.706 -15.210 -16.931
  460    HA   LEU  62           HA       LEU  62 -38.742 -16.343 -15.312
  461    HB2  LEU  62           HB2      LEU  62 -36.840 -14.224 -15.127
  462    HB3  LEU  62           HB1      LEU  62 -38.414 -13.523 -14.762
  463    HG   LEU  62           HG       LEU  62 -37.484 -16.102 -13.443
  464   HD11  LEU  62          HD11      LEU  62 -35.758 -14.497 -12.911
  465   HD12  LEU  62          HD12      LEU  62 -36.820 -14.625 -11.509
  466   HD13  LEU  62          HD13      LEU  62 -36.952 -13.238 -12.587
  467   HD21  LEU  62          HD21      LEU  62 -39.950 -15.035 -13.464
  468   HD22  LEU  62          HD22      LEU  62 -39.261 -14.037 -12.179
  469   HD23  LEU  62          HD23      LEU  62 -39.279 -15.790 -12.020
  470    HA   PRO  63           HA       PRO  63 -41.891 -14.521 -18.020
  471    HB2  PRO  63           HB2      PRO  63 -44.020 -16.012 -17.281
  472    HB3  PRO  63           HB1      PRO  63 -42.705 -16.674 -18.280
  473    HG2  PRO  63           HG2      PRO  63 -43.252 -17.044 -15.373
  474    HG3  PRO  63           HG1      PRO  63 -42.608 -18.195 -16.556
  475    HD2  PRO  63           HD2      PRO  63 -41.057 -16.718 -14.718
  476    HD3  PRO  63           HD1      PRO  63 -40.444 -17.546 -16.165
  477    H    GLN  64           HN       GLN  64 -43.901 -13.305 -17.769
  478    HA   GLN  64           HA       GLN  64 -43.880 -11.442 -15.710
  479    HB2  GLN  64           HB2      GLN  64 -45.231 -11.571 -17.996
  480    HB3  GLN  64           HB1      GLN  64 -46.507 -12.218 -16.966
  481    HG2  GLN  64           HG2      GLN  64 -45.134  -9.536 -16.715
  482    HG3  GLN  64           HG1      GLN  64 -46.825  -9.841 -17.071
  483   HE21  GLN  64          HE21      GLN  64 -44.640  -9.215 -14.517
  484   HE22  GLN  64          HE22      GLN  64 -45.670  -9.638 -13.236
  485    H    GLY  65           HN       GLY  65 -44.149 -11.775 -13.593
  486    HA2  GLY  65           HA2      GLY  65 -46.447 -12.764 -12.395
  487    HA3  GLY  65           HA1      GLY  65 -45.322 -14.116 -12.486
  488    H    GLU  66           HN       GLU  66 -45.927 -13.534 -10.016
  489    HA   GLU  66           HA       GLU  66 -43.950 -11.637  -8.956
  490    HB2  GLU  66           HB2      GLU  66 -46.320 -13.009  -7.679
  491    HB3  GLU  66           HB1      GLU  66 -45.185 -11.974  -6.809
  492    HG2  GLU  66           HG2      GLU  66 -45.718 -10.098  -8.279
  493    HG3  GLU  66           HG1      GLU  66 -46.787 -11.126  -9.233
  494    H    TYR  67           HN       TYR  67 -42.550 -12.261  -7.265
  495    HA   TYR  67           HA       TYR  67 -42.223 -15.101  -6.710
  496    HB2  TYR  67           HB2      TYR  67 -39.910 -13.511  -7.836
  497    HB3  TYR  67           HB1      TYR  67 -39.886 -15.181  -7.318
  498    HD1  TYR  67           HD1      TYR  67 -41.595 -12.908  -9.820
  499    HD2  TYR  67           HD2      TYR  67 -40.469 -16.922  -8.772
  500    HE1  TYR  67           HE1      TYR  67 -42.419 -13.705 -12.005
  501    HE2  TYR  67           HE2      TYR  67 -41.295 -17.714 -10.961
  502    HH   TYR  67           HH       TYR  67 -43.339 -16.319 -12.765
  503    HA   PRO  68           HA       PRO  68 -41.666 -12.400  -3.029
  504    HB2  PRO  68           HB2      PRO  68 -42.472 -14.252  -1.168
  505    HB3  PRO  68           HB1      PRO  68 -43.578 -13.190  -2.058
  506    HG2  PRO  68           HG2      PRO  68 -42.896 -16.051  -2.545
  507    HG3  PRO  68           HG1      PRO  68 -44.461 -15.223  -2.671
  508    HD2  PRO  68           HD2      PRO  68 -42.942 -15.842  -4.836
  509    HD3  PRO  68           HD1      PRO  68 -44.025 -14.431  -4.807
  510    H    GLU  69           HN       GLU  69 -40.203 -15.344  -3.931
  511    HA   GLU  69           HA       GLU  69 -37.899 -14.699  -2.263
  512    HB2  GLU  69           HB2      GLU  69 -39.365 -17.340  -2.106
  513    HB3  GLU  69           HB1      GLU  69 -37.733 -17.081  -1.492
  514    HG2  GLU  69           HG2      GLU  69 -38.608 -15.257  -0.036
  515    HG3  GLU  69           HG1      GLU  69 -40.235 -15.611  -0.613
  516    H    TYR  70           HN       TYR  70 -35.985 -15.962  -2.923
  517    HA   TYR  70           HA       TYR  70 -35.752 -16.018  -5.732
  518    HB2  TYR  70           HB2      TYR  70 -33.542 -17.102  -5.278
  519    HB3  TYR  70           HB1      TYR  70 -33.804 -15.630  -4.345
  520    HD1  TYR  70           HD2      TYR  70 -34.420 -15.755  -1.950
  521    HD2  TYR  70           HD1      TYR  70 -33.407 -19.258  -4.216
  522    HE1  TYR  70           HE2      TYR  70 -34.104 -17.022   0.157
  523    HE2  TYR  70           HE1      TYR  70 -33.093 -20.529  -2.111
  524    HH   TYR  70           HH       TYR  70 -32.589 -19.275   0.737
  525    H    GLN  71           HN       GLN  71 -35.788 -18.697  -3.394
  526    HA   GLN  71           HA       GLN  71 -35.578 -20.892  -5.004
  527    HB2  GLN  71           HB2      GLN  71 -37.191 -22.038  -3.380
  528    HB3  GLN  71           HB1      GLN  71 -35.731 -21.310  -2.705
  529    HG2  GLN  71           HG2      GLN  71 -36.989 -19.294  -2.103
  530    HG3  GLN  71           HG1      GLN  71 -38.451 -19.985  -2.809
  531   HE21  GLN  71          HE21      GLN  71 -36.303 -22.191  -1.162
  532   HE22  GLN  71          HE22      GLN  71 -37.250 -22.375   0.239
  533    H    ARG  72           HN       ARG  72 -37.971 -18.584  -5.299
  534    HA   ARG  72           HA       ARG  72 -40.103 -20.254  -6.216
  535    HB2  ARG  72           HB2      ARG  72 -39.565 -17.329  -6.675
  536    HB3  ARG  72           HB1      ARG  72 -41.110 -18.137  -6.912
  537    HG2  ARG  72           HG2      ARG  72 -39.694 -18.156  -4.245
  538    HG3  ARG  72           HG1      ARG  72 -40.761 -16.837  -4.711
  539    HD2  ARG  72           HD2      ARG  72 -41.522 -19.761  -4.514
  540    HD3  ARG  72           HD1      ARG  72 -42.020 -18.470  -3.430
  541    HE   ARG  72           HE       ARG  72 -42.804 -17.644  -5.939
  542   HH11  ARG  72          HH21      ARG  72 -43.306 -20.377  -3.889
  543   HH12  ARG  72          HH22      ARG  72 -44.905 -20.697  -4.475
  544   HH21  ARG  72          HH11      ARG  72 -44.886 -18.050  -6.721
  545   HH22  ARG  72          HH12      ARG  72 -45.802 -19.374  -6.083
  546    H    TRP  73           HN       TRP  73 -37.117 -19.486  -7.534
  547    HA   TRP  73           HA       TRP  73 -38.127 -19.787 -10.336
  548    HB2  TRP  73           HB2      TRP  73 -36.055 -18.627 -11.051
  549    HB3  TRP  73           HB1      TRP  73 -37.086 -17.614 -10.048
  550    HD1  TRP  73           HD1      TRP  73 -35.319 -20.081  -7.918
  551    HE1  TRP  73           HE1      TRP  73 -33.380 -18.998  -6.706
  552    HE3  TRP  73           HE3      TRP  73 -35.022 -15.766 -10.569
  553    HZ2  TRP  73           HZ2      TRP  73 -31.881 -16.583  -6.829
  554    HZ3  TRP  73           HZ3      TRP  73 -33.295 -14.084 -10.005
  555    HH2  TRP  73           HH2      TRP  73 -31.721 -14.500  -8.138
  556    H    MET  74           HN       MET  74 -37.346 -21.815  -8.262
  557    HA   MET  74           HA       MET  74 -36.561 -23.958  -8.459
  558    HB2  MET  74           HB2      MET  74 -34.878 -23.009 -10.785
  559    HB3  MET  74           HB1      MET  74 -35.035 -24.668 -10.231
  560    HG2  MET  74           HG2      MET  74 -37.386 -22.987 -11.129
  561    HG3  MET  74           HG1      MET  74 -36.497 -24.082 -12.190
  562    HE1  MET  74           HE1      MET  74 -39.894 -24.236 -10.590
  563    HE2  MET  74           HE2      MET  74 -39.869 -25.720 -11.541
  564    HE3  MET  74           HE3      MET  74 -39.138 -24.255 -12.190
  565    H    GLY  75           HN       GLY  75 -35.448 -21.624  -6.975
  566    HA2  GLY  75           HA2      GLY  75 -33.485 -20.936  -5.859
  567    HA3  GLY  75           HA1      GLY  75 -33.622 -22.599  -5.297
  568    H    LEU  76           HN       LEU  76 -32.657 -21.116  -8.388
  569    HA   LEU  76           HA       LEU  76 -30.527 -23.000  -8.779
  570    HB2  LEU  76           HB2      LEU  76 -30.937 -20.373 -10.204
  571    HB3  LEU  76           HB1      LEU  76 -30.116 -21.811 -10.813
  572    HG   LEU  76           HG       LEU  76 -33.035 -21.925 -10.032
  573   HD11  LEU  76          HD11      LEU  76 -31.804 -20.989 -12.629
  574   HD12  LEU  76          HD12      LEU  76 -32.936 -20.108 -11.606
  575   HD13  LEU  76          HD13      LEU  76 -33.478 -21.526 -12.494
  576   HD21  LEU  76          HD21      LEU  76 -31.281 -23.466 -11.981
  577   HD22  LEU  76          HD22      LEU  76 -32.988 -23.779 -11.715
  578   HD23  LEU  76          HD23      LEU  76 -31.833 -24.052 -10.415
  579    H    ASN  77           HN       ASN  77 -30.646 -20.848  -6.519
  580    HA   ASN  77           HA       ASN  77 -28.724 -20.300  -5.199
  581    HB2  ASN  77           HB2      ASN  77 -27.137 -21.026  -7.029
  582    HB3  ASN  77           HB1      ASN  77 -27.397 -19.452  -7.773
  583   HD21  ASN  77          HD21      ASN  77 -25.184 -18.853  -7.477
  584   HD22  ASN  77          HD22      ASN  77 -24.575 -18.459  -5.938
  585    H    ASP  78           HN       ASP  78 -27.803 -18.025  -4.831
  586    HA   ASP  78           HA       ASP  78 -29.911 -16.076  -5.491
  587    HB2  ASP  78           HB2      ASP  78 -29.018 -14.776  -3.625
  588    HB3  ASP  78           HB1      ASP  78 -29.395 -16.417  -3.105
  589    H    ARG  79           HN       ARG  79 -28.623 -16.271  -7.690
  590    HA   ARG  79           HA       ARG  79 -26.829 -13.928  -7.779
  591    HB2  ARG  79           HB2      ARG  79 -25.494 -16.080  -7.783
  592    HB3  ARG  79           HB1      ARG  79 -26.265 -16.463  -9.320
  593    HG2  ARG  79           HG2      ARG  79 -25.428 -14.334 -10.256
  594    HG3  ARG  79           HG1      ARG  79 -24.620 -13.986  -8.733
  595    HD2  ARG  79           HD2      ARG  79 -24.090 -16.443 -10.420
  596    HD3  ARG  79           HD1      ARG  79 -23.096 -14.989 -10.445
  597    HE   ARG  79           HE       ARG  79 -23.191 -16.993  -8.341
  598   HH11  ARG  79          HH21      ARG  79 -22.372 -13.767  -9.288
  599   HH12  ARG  79          HH22      ARG  79 -21.209 -13.543  -8.023
  600   HH21  ARG  79          HH11      ARG  79 -21.672 -16.705  -6.678
  601   HH22  ARG  79          HH12      ARG  79 -20.814 -15.207  -6.544
  602    H    LEU  80           HN       LEU  80 -27.780 -12.507  -9.108
  603    HA   LEU  80           HA       LEU  80 -28.841 -13.476 -11.679
  604    HB2  LEU  80           HB2      LEU  80 -30.626 -13.087  -9.702
  605    HB3  LEU  80           HB1      LEU  80 -30.471 -11.417 -10.238
  606    HG   LEU  80           HG       LEU  80 -32.304 -12.449 -11.443
  607   HD11  LEU  80          HD11      LEU  80 -30.543 -10.919 -12.579
  608   HD12  LEU  80          HD12      LEU  80 -31.712 -11.760 -13.591
  609   HD13  LEU  80          HD13      LEU  80 -30.066 -12.377 -13.450
  610   HD21  LEU  80          HD21      LEU  80 -30.622 -14.412 -12.927
  611   HD22  LEU  80          HD22      LEU  80 -32.276 -14.555 -12.339
  612   HD23  LEU  80          HD23      LEU  80 -30.929 -14.818 -11.237
  613    H    SER  81           HN       SER  81 -28.185 -12.260 -13.292
  614    HA   SER  81           HA       SER  81 -27.004  -9.604 -12.696
  615    HB2  SER  81           HB2      SER  81 -25.389 -10.024 -14.259
  616    HB3  SER  81           HB1      SER  81 -25.669 -11.669 -13.712
  617    HG   SER  81           HG       SER  81 -26.299 -10.429 -16.114
  618    H    SER  82           HN       SER  82 -26.803  -8.722 -15.345
  619    HA   SER  82           HA       SER  82 -29.105  -7.323 -15.758
  620    HB2  SER  82           HB2      SER  82 -28.368  -7.296 -18.215
  621    HB3  SER  82           HB1      SER  82 -27.221  -6.694 -17.023
  622    HG   SER  82           HG       SER  82 -26.469  -8.988 -17.011
  623    H    CYS  83           HN       CYS  83 -30.391  -7.581 -17.989
  624    HA   CYS  83           HA       CYS  83 -31.236 -10.337 -18.406
  625    HB2  CYS  83           HB2      CYS  83 -33.510  -9.987 -17.776
  626    HB3  CYS  83           HB1      CYS  83 -32.538  -9.351 -16.445
  627    HG   CYS  83           HG       CYS  83 -33.074  -6.958 -17.170
  628    H    ARG  84           HN       ARG  84 -32.452 -10.605 -20.359
  629    HA   ARG  84           HA       ARG  84 -32.407  -8.237 -22.156
  630    HB2  ARG  84           HB2      ARG  84 -32.138 -11.170 -22.861
  631    HB3  ARG  84           HB1      ARG  84 -32.139  -9.822 -24.003
  632    HG2  ARG  84           HG2      ARG  84 -30.146  -8.881 -22.911
  633    HG3  ARG  84           HG1      ARG  84 -30.142 -10.216 -21.759
  634    HD2  ARG  84           HD2      ARG  84 -28.572 -10.823 -23.442
  635    HD3  ARG  84           HD1      ARG  84 -30.017 -11.774 -23.780
  636    HE   ARG  84           HE       ARG  84 -30.132  -9.320 -25.199
  637   HH11  ARG  84          HH21      ARG  84 -28.482 -12.358 -25.085
  638   HH12  ARG  84          HH22      ARG  84 -28.137 -12.394 -26.781
  639   HH21  ARG  84          HH11      ARG  84 -29.687  -9.360 -27.425
  640   HH22  ARG  84          HH12      ARG  84 -28.820 -10.695 -28.109
  641    H    ALA  85           HN       ALA  85 -34.330  -7.575 -22.894
  642    HA   ALA  85           HA       ALA  85 -36.754  -8.716 -22.026
  643    HB1  ALA  85           HB1      ALA  85 -37.832  -7.140 -23.546
  644    HB2  ALA  85           HB2      ALA  85 -36.302  -6.866 -24.377
  645    HB3  ALA  85           HB3      ALA  85 -36.501  -6.348 -22.703
  646    H    VAL  86           HN       VAL  86 -37.801 -10.470 -22.702
  647    HA   VAL  86           HA       VAL  86 -37.327 -11.416 -25.492
  648    HB   VAL  86           HB       VAL  86 -37.648 -12.968 -22.911
  649   HG11  VAL  86          HG11      VAL  86 -37.477 -14.986 -24.479
  650   HG12  VAL  86          HG12      VAL  86 -37.908 -13.879 -25.782
  651   HG13  VAL  86          HG13      VAL  86 -39.031 -14.152 -24.449
  652   HG21  VAL  86          HG21      VAL  86 -35.362 -12.425 -23.282
  653   HG22  VAL  86          HG22      VAL  86 -35.489 -12.702 -25.020
  654   HG23  VAL  86          HG23      VAL  86 -35.536 -14.064 -23.904
  655    H    HIS  87           HN       HIS  87 -39.034 -11.615 -26.734
  656    HA   HIS  87           HA       HIS  87 -41.724 -11.320 -25.540
  657    HB2  HIS  87           HB2      HIS  87 -40.835 -10.994 -28.421
  658    HB3  HIS  87           HB1      HIS  87 -42.446 -10.662 -27.780
  659    HD2  HIS  87           HD2      HIS  87 -42.279  -8.580 -25.576
  660    HE1  HIS  87           HE1      HIS  87 -38.988  -6.726 -27.462
  661    HE2  HIS  87           HE2      HIS  87 -40.795  -6.434 -25.702
  662    H    LEU  88           HN       LEU  88 -43.468 -12.550 -26.564
  663    HA   LEU  88           HA       LEU  88 -42.749 -15.332 -26.680
  664    HB2  LEU  88           HB2      LEU  88 -45.486 -14.123 -27.129
  665    HB3  LEU  88           HB1      LEU  88 -45.104 -15.745 -26.585
  666    HG   LEU  88           HG       LEU  88 -45.752 -14.606 -24.618
  667   HD11  LEU  88          HD11      LEU  88 -42.747 -14.346 -24.557
  668   HD12  LEU  88          HD12      LEU  88 -43.563 -15.909 -24.580
  669   HD13  LEU  88          HD13      LEU  88 -43.838 -14.794 -23.244
  670   HD21  LEU  88          HD21      LEU  88 -45.129 -12.258 -25.883
  671   HD22  LEU  88          HD22      LEU  88 -43.787 -12.376 -24.748
  672   HD23  LEU  88          HD23      LEU  88 -45.445 -12.397 -24.158
  673    HA   PRO  89           HA       PRO  89 -42.459 -15.788 -31.057
  674    HB2  PRO  89           HB2      PRO  89 -43.601 -18.279 -31.459
  675    HB3  PRO  89           HB1      PRO  89 -41.955 -18.022 -30.841
  676    HG2  PRO  89           HG2      PRO  89 -44.466 -18.617 -29.337
  677    HG3  PRO  89           HG1      PRO  89 -42.825 -19.247 -29.093
  678    HD2  PRO  89           HD2      PRO  89 -43.817 -17.296 -27.519
  679    HD3  PRO  89           HD1      PRO  89 -42.100 -17.335 -27.962
  680    H    SER  90           HN       SER  90 -43.582 -15.479 -32.916
  681    HA   SER  90           HA       SER  90 -46.434 -15.825 -33.065
  682    HB2  SER  90           HB2      SER  90 -47.031 -13.508 -33.344
  683    HB3  SER  90           HB1      SER  90 -46.199 -13.674 -31.801
  684    HG   SER  90           HG       SER  90 -45.413 -12.424 -34.155
  685    H    GLY  91           HN       GLY  91 -47.218 -14.749 -35.167
  686    HA2  GLY  91           HA2      GLY  91 -46.884 -14.212 -37.433
  687    HA3  GLY  91           HA1      GLY  91 -45.185 -14.652 -37.268
  688    H    GLY  92           HN       GLY  92 -45.400 -17.169 -36.165
  689    HA2  GLY  92           HA2      GLY  92 -46.556 -18.696 -38.429
  690    HA3  GLY  92           HA1      GLY  92 -45.195 -19.209 -37.433
  691    H    GLN  93           HN       GLN  93 -45.597 -19.760 -35.234
  692    HA   GLN  93           HA       GLN  93 -47.936 -19.961 -33.857
  693    HB2  GLN  93           HB2      GLN  93 -48.557 -22.432 -34.377
  694    HB3  GLN  93           HB1      GLN  93 -49.139 -21.179 -35.466
  695    HG2  GLN  93           HG2      GLN  93 -47.762 -21.843 -37.199
  696    HG3  GLN  93           HG1      GLN  93 -46.445 -22.293 -36.119
  697   HE21  GLN  93          HE21      GLN  93 -47.656 -24.192 -34.463
  698   HE22  GLN  93          HE22      GLN  93 -48.172 -25.518 -35.393
  699    H    TYR  94           HN       TYR  94 -46.801 -23.130 -34.362
  700    HA   TYR  94           HA       TYR  94 -44.533 -22.997 -32.572
  701    HB2  TYR  94           HB2      TYR  94 -46.634 -22.929 -31.111
  702    HB3  TYR  94           HB1      TYR  94 -46.924 -24.580 -31.640
  703    HD1  TYR  94           HD1      TYR  94 -44.303 -22.389 -30.168
  704    HD2  TYR  94           HD2      TYR  94 -45.845 -26.383 -30.525
  705    HE1  TYR  94           HE1      TYR  94 -42.667 -23.168 -28.486
  706    HE2  TYR  94           HE2      TYR  94 -44.203 -27.163 -28.834
  707    HH   TYR  94           HH       TYR  94 -42.056 -26.485 -27.916
  708    H    LYS  95           HN       LYS  95 -43.155 -24.320 -33.589
  709    HA   LYS  95           HA       LYS  95 -43.922 -27.071 -34.125
  710    HB2  LYS  95           HB2      LYS  95 -44.644 -25.823 -36.165
  711    HB3  LYS  95           HB1      LYS  95 -42.974 -25.310 -36.392
  712    HG2  LYS  95           HG2      LYS  95 -43.373 -27.248 -37.788
  713    HG3  LYS  95           HG1      LYS  95 -42.290 -27.716 -36.483
  714    HD2  LYS  95           HD2      LYS  95 -43.892 -29.004 -35.401
  715    HD3  LYS  95           HD1      LYS  95 -45.241 -28.074 -36.065
  716    HE2  LYS  95           HE2      LYS  95 -43.485 -30.007 -37.616
  717    HE3  LYS  95           HE1      LYS  95 -45.158 -30.288 -37.121
  718    HZ1  LYS  95           HZ1      LYS  95 -44.100 -28.526 -39.204
  719    HZ2  LYS  95           HZ2      LYS  95 -45.506 -28.040 -38.388
  720    HZ3  LYS  95           HZ3      LYS  95 -45.475 -29.518 -39.224
  721    H    ILE  96           HN       ILE  96 -42.272 -28.401 -33.807
  722    HA   ILE  96           HA       ILE  96 -39.500 -27.368 -33.986
  723    HB   ILE  96           HB       ILE  96 -39.839 -27.304 -31.667
  724   HG12  ILE  96          HG12      ILE  96 -38.915 -30.160 -31.971
  725   HG13  ILE  96          HG11      ILE  96 -37.913 -28.810 -32.495
  726   HG21  ILE  96          HG21      ILE  96 -41.030 -29.055 -30.410
  727   HG22  ILE  96          HG22      ILE  96 -41.269 -29.957 -31.904
  728   HG23  ILE  96          HG23      ILE  96 -42.058 -28.400 -31.683
  729   HD11  ILE  96          HD11      ILE  96 -37.281 -29.393 -30.222
  730   HD12  ILE  96          HD12      ILE  96 -38.962 -29.316 -29.695
  731   HD13  ILE  96          HD13      ILE  96 -38.119 -27.844 -30.178
  732    H    GLN  97           HN       GLN  97 -38.000 -28.763 -34.653
  733    HA   GLN  97           HA       GLN  97 -38.808 -31.531 -35.324
  734    HB2  GLN  97           HB2      GLN  97 -37.506 -29.415 -36.980
  735    HB3  GLN  97           HB1      GLN  97 -36.923 -31.065 -37.178
  736    HG2  GLN  97           HG2      GLN  97 -39.252 -31.824 -37.593
  737    HG3  GLN  97           HG1      GLN  97 -39.806 -30.156 -37.457
  738   HE21  GLN  97          HE21      GLN  97 -36.694 -30.357 -38.888
  739   HE22  GLN  97          HE22      GLN  97 -37.183 -30.213 -40.511
  740    H    ILE  98           HN       ILE  98 -37.534 -33.041 -34.492
  741    HA   ILE  98           HA       ILE  98 -34.938 -32.213 -33.307
  742    HB   ILE  98           HB       ILE  98 -36.639 -34.536 -32.367
  743   HG12  ILE  98          HG12      ILE  98 -36.783 -31.652 -31.428
  744   HG13  ILE  98          HG11      ILE  98 -38.061 -32.512 -32.278
  745   HG21  ILE  98          HG21      ILE  98 -34.278 -34.384 -31.668
  746   HG22  ILE  98          HG22      ILE  98 -35.364 -34.149 -30.293
  747   HG23  ILE  98          HG23      ILE  98 -34.586 -32.764 -31.048
  748   HD11  ILE  98          HD11      ILE  98 -37.677 -34.250 -30.245
  749   HD12  ILE  98          HD12      ILE  98 -38.796 -32.891 -30.142
  750   HD13  ILE  98          HD13      ILE  98 -37.184 -32.755 -29.446
  751    H    PHE  99           HN       PHE  99 -33.173 -33.277 -33.965
  752    HA   PHE  99           HA       PHE  99 -33.571 -35.720 -35.630
  753    HB2  PHE  99           HB2      PHE  99 -31.520 -33.509 -35.732
  754    HB3  PHE  99           HB1      PHE  99 -31.229 -35.075 -36.484
  755    HD1  PHE  99           HD1      PHE  99 -33.621 -32.207 -36.400
  756    HD2  PHE  99           HD2      PHE  99 -32.203 -35.619 -38.579
  757    HE1  PHE  99           HE1      PHE  99 -34.989 -31.540 -38.354
  758    HE2  PHE  99           HE2      PHE  99 -33.571 -34.952 -40.531
  759    HZ   PHE  99           HZ       PHE  99 -34.966 -32.905 -40.419
  760    H    GLU 100           HN       GLU 100 -32.769 -37.576 -34.919
  761    HA   GLU 100           HA       GLU 100 -31.677 -37.882 -32.359
  762    HB2  GLU 100           HB2      GLU 100 -32.820 -39.702 -33.536
  763    HB3  GLU 100           HB1      GLU 100 -31.528 -39.751 -34.740
  764    HG2  GLU 100           HG2      GLU 100 -29.906 -40.401 -33.055
  765    HG3  GLU 100           HG1      GLU 100 -31.094 -40.181 -31.772
  766    H    LYS 101           HN       LYS 101 -30.162 -37.322 -35.471
  767    HA   LYS 101           HA       LYS 101 -27.482 -37.571 -34.208
  768    HB2  LYS 101           HB2      LYS 101 -28.121 -37.592 -37.174
  769    HB3  LYS 101           HB1      LYS 101 -26.586 -37.979 -36.401
  770    HG2  LYS 101           HG2      LYS 101 -27.442 -39.970 -35.445
  771    HG3  LYS 101           HG1      LYS 101 -29.106 -39.534 -35.810
  772    HD2  LYS 101           HD2      LYS 101 -28.663 -39.740 -38.205
  773    HD3  LYS 101           HD1      LYS 101 -26.967 -40.111 -37.881
  774    HE2  LYS 101           HE2      LYS 101 -27.651 -42.134 -36.641
  775    HE3  LYS 101           HE1      LYS 101 -29.346 -41.762 -36.964
  776    HZ1  LYS 101           HZ1      LYS 101 -27.232 -42.430 -38.937
  777    HZ2  LYS 101           HZ2      LYS 101 -28.755 -41.814 -39.374
  778    HZ3  LYS 101           HZ3      LYS 101 -28.636 -43.316 -38.587
  779    H    GLY 102           HN       GLY 102 -25.996 -35.942 -34.455
  780    HA2  GLY 102           HA2      GLY 102 -26.904 -33.333 -34.393
  781    HA3  GLY 102           HA1      GLY 102 -25.236 -33.792 -34.716
  782    H    ASP 103           HN       ASP 103 -25.277 -31.890 -36.088
  783    HA   ASP 103           HA       ASP 103 -25.485 -30.825 -38.103
  784    HB2  ASP 103           HB2      ASP 103 -24.156 -32.838 -38.787
  785    HB3  ASP 103           HB1      ASP 103 -25.661 -33.633 -39.211
  786    H    PHE 104           HN       PHE 104 -27.300 -33.447 -39.390
  787    HA   PHE 104           HA       PHE 104 -29.924 -32.617 -38.708
  788    HB2  PHE 104           HB2      PHE 104 -28.947 -31.883 -41.492
  789    HB3  PHE 104           HB1      PHE 104 -30.631 -31.860 -40.976
  790    HD1  PHE 104           HD2      PHE 104 -31.073 -30.559 -38.724
  791    HD2  PHE 104           HD1      PHE 104 -27.705 -29.890 -41.301
  792    HE1  PHE 104           HE2      PHE 104 -30.740 -28.326 -37.705
  793    HE2  PHE 104           HE1      PHE 104 -27.364 -27.657 -40.275
  794    HZ   PHE 104           HZ       PHE 104 -28.885 -26.873 -38.480
  795    H    SER 105           HN       SER 105 -29.457 -35.010 -38.286
  796    HA   SER 105           HA       SER 105 -30.587 -36.540 -40.474
  797    HB2  SER 105           HB2      SER 105 -27.715 -36.829 -39.625
  798    HB3  SER 105           HB1      SER 105 -28.601 -38.228 -40.215
  799    HG   SER 105           HG       SER 105 -28.683 -37.378 -42.165
  800    H    GLY 106           HN       GLY 106 -31.074 -38.733 -39.859
  801    HA2  GLY 106           HA2      GLY 106 -31.409 -40.458 -38.236
  802    HA3  GLY 106           HA1      GLY 106 -31.098 -39.286 -36.966
  803    H    GLN 107           HN       GLN 107 -33.119 -40.643 -36.377
  804    HA   GLN 107           HA       GLN 107 -35.611 -40.280 -37.467
  805    HB2  GLN 107           HB2      GLN 107 -35.197 -41.800 -35.589
  806    HB3  GLN 107           HB1      GLN 107 -34.924 -40.425 -34.523
  807    HG2  GLN 107           HG2      GLN 107 -37.210 -41.280 -34.250
  808    HG3  GLN 107           HG1      GLN 107 -37.247 -39.658 -34.939
  809   HE21  GLN 107          HE21      GLN 107 -39.186 -39.860 -36.128
  810   HE22  GLN 107          HE22      GLN 107 -39.385 -40.949 -37.415
  811    H    MET 108           HN       MET 108 -37.071 -38.688 -37.606
  812    HA   MET 108           HA       MET 108 -36.510 -36.191 -36.176
  813    HB2  MET 108           HB2      MET 108 -35.972 -35.825 -38.491
  814    HB3  MET 108           HB1      MET 108 -37.522 -36.515 -38.984
  815    HG2  MET 108           HG2      MET 108 -37.546 -34.230 -37.036
  816    HG3  MET 108           HG1      MET 108 -37.232 -33.882 -38.733
  817    HE1  MET 108           HE1      MET 108 -39.122 -33.187 -40.205
  818    HE2  MET 108           HE2      MET 108 -40.366 -34.373 -40.587
  819    HE3  MET 108           HE3      MET 108 -38.667 -34.834 -40.664
  820    H    TYR 109           HN       TYR 109 -38.075 -35.376 -34.965
  821    HA   TYR 109           HA       TYR 109 -40.797 -36.474 -35.307
  822    HB2  TYR 109           HB2      TYR 109 -39.283 -35.714 -32.809
  823    HB3  TYR 109           HB1      TYR 109 -41.019 -36.003 -32.866
  824    HD1  TYR 109           HD2      TYR 109 -41.777 -38.252 -34.005
  825    HD2  TYR 109           HD1      TYR 109 -37.851 -37.534 -32.412
  826    HE1  TYR 109           HE2      TYR 109 -41.401 -40.697 -33.826
  827    HE2  TYR 109           HE1      TYR 109 -37.475 -39.978 -32.236
  828    HH   TYR 109           HH       TYR 109 -39.823 -42.294 -33.513
  829    H    GLU 110           HN       GLU 110 -42.401 -35.103 -35.474
  830    HA   GLU 110           HA       GLU 110 -41.903 -32.206 -35.087
  831    HB2  GLU 110           HB2      GLU 110 -43.861 -32.156 -36.890
  832    HB3  GLU 110           HB1      GLU 110 -42.175 -32.274 -37.378
  833    HG2  GLU 110           HG2      GLU 110 -42.365 -34.687 -37.601
  834    HG3  GLU 110           HG1      GLU 110 -44.007 -34.652 -36.956
  835    H    THR 111           HN       THR 111 -43.035 -31.461 -33.418
  836    HA   THR 111           HA       THR 111 -45.831 -32.330 -33.060
  837    HB   THR 111           HB       THR 111 -44.302 -33.666 -31.557
  838    HG1  THR 111           HG1      THR 111 -45.582 -32.998 -29.632
  839   HG21  THR 111          HG21      THR 111 -43.115 -32.639 -29.805
  840   HG22  THR 111          HG22      THR 111 -44.014 -31.130 -29.961
  841   HG23  THR 111          HG23      THR 111 -42.810 -31.567 -31.173
  842    H    THR 112           HN       THR 112 -47.119 -30.652 -32.847
  843    HA   THR 112           HA       THR 112 -45.987 -27.990 -32.368
  844    HB   THR 112           HB       THR 112 -47.814 -27.153 -33.490
  845    HG1  THR 112           HG1      THR 112 -49.863 -28.027 -33.292
  846   HG21  THR 112          HG21      THR 112 -48.211 -28.453 -35.385
  847   HG22  THR 112          HG22      THR 112 -48.322 -29.948 -34.458
  848   HG23  THR 112          HG23      THR 112 -46.750 -29.216 -34.760
  849    H    GLU 113           HN       GLU 113 -46.004 -29.746 -30.156
  850    HA   GLU 113           HA       GLU 113 -47.688 -28.199 -28.301
  851    HB2  GLU 113           HB2      GLU 113 -48.230 -30.430 -27.120
  852    HB3  GLU 113           HB1      GLU 113 -49.140 -30.036 -28.580
  853    HG2  GLU 113           HG2      GLU 113 -47.650 -31.437 -29.924
  854    HG3  GLU 113           HG1      GLU 113 -46.665 -31.784 -28.503
  855    H    ASP 114           HN       ASP 114 -47.177 -29.213 -25.957
  856    HA   ASP 114           HA       ASP 114 -44.303 -28.858 -25.620
  857    HB2  ASP 114           HB2      ASP 114 -44.936 -29.055 -23.158
  858    HB3  ASP 114           HB1      ASP 114 -45.599 -27.679 -24.028
  859    H    CYS 115           HN       CYS 115 -43.067 -30.314 -24.309
  860    HA   CYS 115           HA       CYS 115 -44.038 -33.101 -24.313
  861    HB2  CYS 115           HB2      CYS 115 -42.575 -32.816 -26.223
  862    HB3  CYS 115           HB1      CYS 115 -41.325 -32.131 -25.190
  863    HG   CYS 115           HG       CYS 115 -42.335 -35.044 -24.710
  864    HA   PRO 116           HA       PRO 116 -42.295 -32.552 -20.153
  865    HB2  PRO 116           HB2      PRO 116 -43.158 -34.907 -19.057
  866    HB3  PRO 116           HB1      PRO 116 -44.235 -33.521 -19.316
  867    HG2  PRO 116           HG2      PRO 116 -43.952 -36.014 -20.915
  868    HG3  PRO 116           HG1      PRO 116 -45.407 -35.079 -20.541
  869    HD2  PRO 116           HD2      PRO 116 -44.021 -34.975 -22.962
  870    HD3  PRO 116           HD1      PRO 116 -45.118 -33.705 -22.373
  871    H    SER 117           HN       SER 117 -42.178 -35.832 -21.538
  872    HA   SER 117           HA       SER 117 -39.260 -36.004 -20.935
  873    HB2  SER 117           HB2      SER 117 -41.378 -38.145 -20.842
  874    HB3  SER 117           HB1      SER 117 -39.658 -38.508 -20.895
  875    HG   SER 117           HG       SER 117 -41.214 -37.361 -18.878
  876    H    ILE 118           HN       ILE 118 -38.160 -35.811 -22.776
  877    HA   ILE 118           HA       ILE 118 -39.294 -36.192 -25.349
  878    HB   ILE 118           HB       ILE 118 -37.201 -34.796 -24.431
  879   HG12  ILE 118          HG12      ILE 118 -37.318 -35.873 -27.257
  880   HG13  ILE 118          HG11      ILE 118 -38.302 -34.548 -26.643
  881   HG21  ILE 118          HG21      ILE 118 -35.848 -37.177 -25.710
  882   HG22  ILE 118          HG22      ILE 118 -35.831 -36.816 -23.984
  883   HG23  ILE 118          HG23      ILE 118 -35.068 -35.708 -25.121
  884   HD11  ILE 118          HD11      ILE 118 -36.033 -34.086 -27.931
  885   HD12  ILE 118          HD12      ILE 118 -35.333 -34.328 -26.336
  886   HD13  ILE 118          HD13      ILE 118 -36.547 -33.073 -26.592
  887    H    MET 119           HN       MET 119 -37.037 -38.081 -23.439
  888    HA   MET 119           HA       MET 119 -36.642 -40.114 -25.335
  889    HB2  MET 119           HB2      MET 119 -35.196 -39.691 -23.363
  890    HB3  MET 119           HB1      MET 119 -36.469 -40.355 -22.339
  891    HG2  MET 119           HG2      MET 119 -36.351 -42.493 -23.464
  892    HG3  MET 119           HG1      MET 119 -35.243 -41.841 -24.665
  893    HE1  MET 119           HE1      MET 119 -33.035 -44.328 -22.705
  894    HE2  MET 119           HE2      MET 119 -33.858 -43.936 -24.213
  895    HE3  MET 119           HE3      MET 119 -34.790 -44.508 -22.830
  896    H    GLU 120           HN       GLU 120 -39.302 -39.448 -23.243
  897    HA   GLU 120           HA       GLU 120 -40.261 -42.113 -23.028
  898    HB2  GLU 120           HB2      GLU 120 -40.903 -40.400 -21.436
  899    HB3  GLU 120           HB1      GLU 120 -41.658 -39.448 -22.718
  900    HG2  GLU 120           HG2      GLU 120 -43.296 -41.206 -23.119
  901    HG3  GLU 120           HG1      GLU 120 -42.490 -42.256 -21.961
  902    H    GLN 121           HN       GLN 121 -41.160 -39.365 -25.083
  903    HA   GLN 121           HA       GLN 121 -42.929 -41.148 -26.612
  904    HB2  GLN 121           HB2      GLN 121 -43.951 -39.113 -27.475
  905    HB3  GLN 121           HB1      GLN 121 -43.909 -39.082 -25.719
  906    HG2  GLN 121           HG2      GLN 121 -42.452 -37.322 -25.631
  907    HG3  GLN 121           HG1      GLN 121 -41.522 -37.876 -27.023
  908   HE21  GLN 121          HE21      GLN 121 -42.712 -35.153 -26.406
  909   HE22  GLN 121          HE22      GLN 121 -43.655 -34.769 -27.762
  910    H    PHE 122           HN       PHE 122 -39.942 -39.415 -26.896
  911    HA   PHE 122           HA       PHE 122 -39.879 -40.037 -29.787
  912    HB2  PHE 122           HB2      PHE 122 -38.336 -37.952 -28.244
  913    HB3  PHE 122           HB1      PHE 122 -38.165 -38.281 -29.964
  914    HD1  PHE 122           HD2      PHE 122 -40.854 -38.572 -31.015
  915    HD2  PHE 122           HD1      PHE 122 -39.481 -35.928 -27.935
  916    HE1  PHE 122           HE2      PHE 122 -42.718 -37.033 -31.497
  917    HE2  PHE 122           HE1      PHE 122 -41.336 -34.376 -28.422
  918    HZ   PHE 122           HZ       PHE 122 -42.957 -34.935 -30.207
  919    H    HIS 123           HN       HIS 123 -38.906 -41.291 -26.968
  920    HA   HIS 123           HA       HIS 123 -37.210 -42.729 -26.362
  921    HB2  HIS 123           HB2      HIS 123 -37.304 -43.229 -29.332
  922    HB3  HIS 123           HB1      HIS 123 -36.517 -44.282 -28.155
  923    HD2  HIS 123           HD2      HIS 123 -39.146 -45.543 -29.684
  924    HE1  HIS 123           HE1      HIS 123 -41.193 -44.714 -26.085
  925    HE2  HIS 123           HE2      HIS 123 -41.269 -46.049 -28.248
  926    H    MET 124           HN       MET 124 -36.556 -39.919 -27.657
  927    HA   MET 124           HA       MET 124 -33.840 -40.299 -28.541
  928    HB2  MET 124           HB2      MET 124 -35.548 -37.888 -27.943
  929    HB3  MET 124           HB1      MET 124 -33.821 -37.736 -28.255
  930    HG2  MET 124           HG2      MET 124 -34.063 -38.807 -30.424
  931    HG3  MET 124           HG1      MET 124 -35.771 -39.110 -30.119
  932    HE1  MET 124           HE1      MET 124 -35.644 -36.583 -32.958
  933    HE2  MET 124           HE2      MET 124 -35.077 -38.193 -32.520
  934    HE3  MET 124           HE3      MET 124 -33.948 -36.840 -32.526
  935    H    ARG 125           HN       ARG 125 -32.034 -40.171 -27.355
  936    HA   ARG 125           HA       ARG 125 -32.348 -39.850 -24.437
  937    HB2  ARG 125           HB2      ARG 125 -30.002 -40.981 -24.527
  938    HB3  ARG 125           HB1      ARG 125 -31.426 -41.969 -24.835
  939    HG2  ARG 125           HG2      ARG 125 -31.101 -41.756 -27.244
  940    HG3  ARG 125           HG1      ARG 125 -29.745 -40.655 -26.987
  941    HD2  ARG 125           HD2      ARG 125 -28.873 -42.878 -27.431
  942    HD3  ARG 125           HD1      ARG 125 -28.563 -42.469 -25.746
  943    HE   ARG 125           HE       ARG 125 -31.040 -43.864 -26.024
  944   HH11  ARG 125          HH21      ARG 125 -27.598 -44.235 -26.022
  945   HH12  ARG 125          HH22      ARG 125 -27.638 -45.881 -25.482
  946   HH21  ARG 125          HH11      ARG 125 -31.099 -46.020 -25.317
  947   HH22  ARG 125          HH12      ARG 125 -29.618 -46.891 -25.083
  948    H    GLU 126           HN       GLU 126 -30.682 -38.634 -27.273
  949    HA   GLU 126           HA       GLU 126 -29.725 -36.372 -25.722
  950    HB2  GLU 126           HB2      GLU 126 -27.714 -37.989 -27.304
  951    HB3  GLU 126           HB1      GLU 126 -27.405 -36.569 -26.321
  952    HG2  GLU 126           HG2      GLU 126 -28.149 -37.828 -24.308
  953    HG3  GLU 126           HG1      GLU 126 -28.329 -39.264 -25.306
  954    H    ILE 127           HN       ILE 127 -30.592 -34.821 -26.860
  955    HA   ILE 127           HA       ILE 127 -30.934 -34.954 -29.717
  956    HB   ILE 127           HB       ILE 127 -31.141 -32.444 -28.051
  957   HG12  ILE 127          HG12      ILE 127 -32.515 -33.977 -26.840
  958   HG13  ILE 127          HG11      ILE 127 -33.622 -33.120 -27.917
  959   HG21  ILE 127          HG21      ILE 127 -32.456 -33.439 -30.587
  960   HG22  ILE 127          HG22      ILE 127 -31.308 -32.124 -30.451
  961   HG23  ILE 127          HG23      ILE 127 -32.909 -31.957 -29.752
  962   HD11  ILE 127          HD11      ILE 127 -34.180 -35.440 -28.085
  963   HD12  ILE 127          HD12      ILE 127 -32.491 -35.897 -28.279
  964   HD13  ILE 127          HD13      ILE 127 -33.318 -35.026 -29.565
  965    H    HIS 128           HN       HIS 128 -29.539 -34.484 -31.230
  966    HA   HIS 128           HA       HIS 128 -27.045 -33.065 -30.530
  967    HB2  HIS 128           HB2      HIS 128 -27.664 -34.925 -32.813
  968    HB3  HIS 128           HB1      HIS 128 -26.094 -34.218 -32.464
  969    HD2  HIS 128           HD2      HIS 128 -24.699 -35.399 -30.341
  970    HE1  HIS 128           HE1      HIS 128 -27.551 -38.405 -29.547
  971    HE2  HIS 128           HE2      HIS 128 -25.200 -37.598 -29.014
  972    H    SER 129           HN       SER 129 -29.764 -33.099 -32.768
  973    HA   SER 129           HA       SER 129 -29.128 -30.357 -33.556
  974    HB2  SER 129           HB2      SER 129 -27.892 -31.446 -35.268
  975    HB3  SER 129           HB1      SER 129 -29.145 -32.665 -35.509
  976    HG   SER 129           HG       SER 129 -29.844 -29.978 -35.785
  977    H    CYS 130           HN       CYS 130 -30.882 -29.216 -34.341
  978    HA   CYS 130           HA       CYS 130 -33.453 -30.592 -34.682
  979    HB2  CYS 130           HB2      CYS 130 -33.830 -30.096 -32.451
  980    HB3  CYS 130           HB1      CYS 130 -32.758 -28.697 -32.471
  981    HG   CYS 130           HG       CYS 130 -35.230 -27.821 -32.388
  982    H    LYS 131           HN       LYS 131 -35.042 -29.275 -35.716
  983    HA   LYS 131           HA       LYS 131 -34.006 -26.857 -37.077
  984    HB2  LYS 131           HB2      LYS 131 -35.361 -29.243 -38.353
  985    HB3  LYS 131           HB1      LYS 131 -35.228 -27.669 -39.134
  986    HG2  LYS 131           HG2      LYS 131 -32.793 -27.761 -38.981
  987    HG3  LYS 131           HG1      LYS 131 -32.890 -29.289 -38.109
  988    HD2  LYS 131           HD2      LYS 131 -32.388 -29.675 -40.492
  989    HD3  LYS 131           HD1      LYS 131 -33.959 -30.344 -40.067
  990    HE2  LYS 131           HE2      LYS 131 -35.125 -28.683 -41.223
  991    HE3  LYS 131           HE1      LYS 131 -33.785 -27.535 -41.133
  992    HZ1  LYS 131           HZ1      LYS 131 -34.268 -28.775 -43.338
  993    HZ2  LYS 131           HZ2      LYS 131 -33.438 -30.060 -42.599
  994    HZ3  LYS 131           HZ3      LYS 131 -32.664 -28.565 -42.830
  995    H    VAL 132           HN       VAL 132 -36.117 -26.172 -38.548
  996    HA   VAL 132           HA       VAL 132 -38.037 -24.935 -38.352
  997    HB   VAL 132           HB       VAL 132 -38.992 -27.396 -36.865
  998   HG11  VAL 132          HG11      VAL 132 -40.341 -25.095 -38.283
  999   HG12  VAL 132          HG12      VAL 132 -40.697 -25.787 -36.703
 1000   HG13  VAL 132          HG13      VAL 132 -41.139 -26.662 -38.168
 1001   HG21  VAL 132          HG21      VAL 132 -37.925 -28.060 -38.957
 1002   HG22  VAL 132          HG22      VAL 132 -38.802 -26.810 -39.838
 1003   HG23  VAL 132          HG23      VAL 132 -39.675 -28.175 -39.145
 1004    H    LEU 133           HN       LEU 133 -37.517 -23.229 -37.047
 1005    HA   LEU 133           HA       LEU 133 -38.015 -23.547 -34.140
 1006    HB2  LEU 133           HB2      LEU 133 -36.090 -21.886 -35.719
 1007    HB3  LEU 133           HB1      LEU 133 -36.729 -21.186 -34.232
 1008    HG   LEU 133           HG       LEU 133 -34.591 -22.449 -33.897
 1009   HD11  LEU 133          HD11      LEU 133 -36.910 -22.491 -32.314
 1010   HD12  LEU 133          HD12      LEU 133 -35.283 -22.906 -31.801
 1011   HD13  LEU 133          HD13      LEU 133 -36.379 -24.173 -32.339
 1012   HD21  LEU 133          HD21      LEU 133 -34.405 -24.743 -34.345
 1013   HD22  LEU 133          HD22      LEU 133 -35.375 -24.185 -35.707
 1014   HD23  LEU 133          HD23      LEU 133 -36.152 -24.991 -34.342
 1015    H    GLU 134           HN       GLU 134 -38.860 -21.519 -33.093
 1016    HA   GLU 134           HA       GLU 134 -40.625 -19.936 -34.813
 1017    HB2  GLU 134           HB2      GLU 134 -41.506 -22.114 -33.075
 1018    HB3  GLU 134           HB1      GLU 134 -42.233 -20.592 -32.568
 1019    HG2  GLU 134           HG2      GLU 134 -43.719 -21.551 -34.197
 1020    HG3  GLU 134           HG1      GLU 134 -42.891 -20.222 -35.000
 1021    H    GLY 135           HN       GLY 135 -40.040 -17.939 -34.359
 1022    HA2  GLY 135           HA2      GLY 135 -39.185 -16.125 -33.192
 1023    HA3  GLY 135           HA1      GLY 135 -40.528 -16.502 -32.125
 1024    H    VAL 136           HN       VAL 136 -40.170 -17.715 -30.249
 1025    HA   VAL 136           HA       VAL 136 -37.333 -17.944 -29.412
 1026    HB   VAL 136           HB       VAL 136 -39.642 -17.361 -27.579
 1027   HG11  VAL 136          HG11      VAL 136 -37.588 -18.272 -26.558
 1028   HG12  VAL 136          HG12      VAL 136 -37.806 -16.586 -26.111
 1029   HG13  VAL 136          HG13      VAL 136 -36.637 -17.020 -27.351
 1030   HG21  VAL 136          HG21      VAL 136 -39.615 -15.506 -29.069
 1031   HG22  VAL 136          HG22      VAL 136 -37.852 -15.477 -29.112
 1032   HG23  VAL 136          HG23      VAL 136 -38.707 -14.994 -27.649
 1033    H    TRP 137           HN       TRP 137 -36.861 -19.625 -27.912
 1034    HA   TRP 137           HA       TRP 137 -38.888 -21.743 -27.612
 1035    HB2  TRP 137           HB2      TRP 137 -37.420 -22.044 -29.735
 1036    HB3  TRP 137           HB1      TRP 137 -36.109 -22.410 -28.610
 1037    HD1  TRP 137           HD1      TRP 137 -36.198 -24.642 -27.313
 1038    HE1  TRP 137           HE1      TRP 137 -37.684 -26.750 -27.503
 1039    HE3  TRP 137           HE3      TRP 137 -39.871 -22.821 -30.315
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.134 -27.532 -28.767
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.770 -24.251 -31.006
 1042    HH2  TRP 137           HH2      TRP 137 -41.905 -26.601 -30.232
 1043    H    ILE 138           HN       ILE 138 -38.012 -23.528 -26.170
 1044    HA   ILE 138           HA       ILE 138 -35.921 -22.681 -24.297
 1045    HB   ILE 138           HB       ILE 138 -38.781 -23.235 -23.467
 1046   HG12  ILE 138          HG12      ILE 138 -36.944 -20.862 -22.956
 1047   HG13  ILE 138          HG11      ILE 138 -38.237 -20.899 -24.152
 1048   HG21  ILE 138          HG21      ILE 138 -37.378 -24.440 -21.919
 1049   HG22  ILE 138          HG22      ILE 138 -37.865 -22.952 -21.120
 1050   HG23  ILE 138          HG23      ILE 138 -36.249 -23.092 -21.806
 1051   HD11  ILE 138          HD11      ILE 138 -38.452 -20.876 -21.160
 1052   HD12  ILE 138          HD12      ILE 138 -39.752 -21.587 -22.116
 1053   HD13  ILE 138          HD13      ILE 138 -39.315 -19.894 -22.341
 1054    H    PHE 139           HN       PHE 139 -34.630 -24.336 -23.916
 1055    HA   PHE 139           HA       PHE 139 -35.689 -27.108 -24.109
 1056    HB2  PHE 139           HB2      PHE 139 -33.224 -25.799 -25.079
 1057    HB3  PHE 139           HB1      PHE 139 -32.887 -27.272 -24.171
 1058    HD1  PHE 139           HD1      PHE 139 -35.927 -26.594 -26.255
 1059    HD2  PHE 139           HD2      PHE 139 -32.225 -28.749 -25.916
 1060    HE1  PHE 139           HE1      PHE 139 -36.578 -27.988 -28.175
 1061    HE2  PHE 139           HE2      PHE 139 -32.876 -30.152 -27.857
 1062    HZ   PHE 139           HZ       PHE 139 -35.050 -29.774 -28.990
 1063    H    TYR 140           HN       TYR 140 -35.699 -28.327 -22.406
 1064    HA   TYR 140           HA       TYR 140 -34.485 -27.257 -19.915
 1065    HB2  TYR 140           HB2      TYR 140 -36.958 -28.841 -20.577
 1066    HB3  TYR 140           HB1      TYR 140 -36.226 -29.061 -19.001
 1067    HD1  TYR 140           HD2      TYR 140 -35.586 -26.859 -17.715
 1068    HD2  TYR 140           HD1      TYR 140 -38.471 -27.071 -20.884
 1069    HE1  TYR 140           HE2      TYR 140 -36.611 -24.752 -16.923
 1070    HE2  TYR 140           HE1      TYR 140 -39.496 -24.965 -20.097
 1071    HH   TYR 140           HH       TYR 140 -39.219 -23.186 -18.738
 1072    H    GLU 141           HN       GLU 141 -32.576 -28.190 -19.563
 1073    HA   GLU 141           HA       GLU 141 -31.597 -30.532 -20.598
 1074    HB2  GLU 141           HB2      GLU 141 -30.311 -28.816 -19.281
 1075    HB3  GLU 141           HB1      GLU 141 -30.992 -29.521 -17.814
 1076    HG2  GLU 141           HG2      GLU 141 -30.014 -31.711 -18.407
 1077    HG3  GLU 141           HG1      GLU 141 -29.323 -31.001 -19.866
 1078    H    LEU 142           HN       LEU 142 -33.897 -30.120 -18.009
 1079    HA   LEU 142           HA       LEU 142 -33.791 -33.021 -17.437
 1080    HB2  LEU 142           HB2      LEU 142 -34.165 -30.670 -15.711
 1081    HB3  LEU 142           HB1      LEU 142 -35.299 -31.959 -15.385
 1082    HG   LEU 142           HG       LEU 142 -33.383 -33.536 -15.192
 1083   HD11  LEU 142          HD11      LEU 142 -31.836 -30.995 -15.727
 1084   HD12  LEU 142          HD12      LEU 142 -31.702 -32.546 -16.554
 1085   HD13  LEU 142          HD13      LEU 142 -31.104 -32.373 -14.904
 1086   HD21  LEU 142          HD21      LEU 142 -33.025 -31.102 -13.420
 1087   HD22  LEU 142          HD22      LEU 142 -32.686 -32.783 -13.006
 1088   HD23  LEU 142          HD23      LEU 142 -34.351 -32.249 -13.234
 1089    HA   PRO 143           HA       PRO 143 -37.884 -33.335 -19.013
 1090    HB2  PRO 143           HB2      PRO 143 -38.912 -35.437 -17.651
 1091    HB3  PRO 143           HB1      PRO 143 -37.564 -35.629 -18.796
 1092    HG2  PRO 143           HG2      PRO 143 -37.516 -35.520 -15.817
 1093    HG3  PRO 143           HG1      PRO 143 -36.559 -36.514 -16.925
 1094    HD2  PRO 143           HD2      PRO 143 -35.649 -34.170 -15.714
 1095    HD3  PRO 143           HD1      PRO 143 -34.954 -34.897 -17.170
 1096    H    ASN 144           HN       ASN 144 -40.187 -33.219 -18.477
 1097    HA   ASN 144           HA       ASN 144 -42.017 -32.478 -17.326
 1098    HB2  ASN 144           HB2      ASN 144 -40.398 -32.097 -14.815
 1099    HB3  ASN 144           HB1      ASN 144 -42.095 -32.547 -14.995
 1100   HD21  ASN 144          HD21      ASN 144 -41.340 -34.508 -17.181
 1101   HD22  ASN 144          HD22      ASN 144 -40.688 -35.838 -16.358
 1102    H    TYR 145           HN       TYR 145 -39.593 -30.770 -18.401
 1103    HA   TYR 145           HA       TYR 145 -39.457 -28.551 -18.913
 1104    HB2  TYR 145           HB2      TYR 145 -41.500 -27.772 -16.844
 1105    HB3  TYR 145           HB1      TYR 145 -41.165 -27.062 -18.421
 1106    HD1  TYR 145           HD2      TYR 145 -41.351 -28.992 -20.399
 1107    HD2  TYR 145           HD1      TYR 145 -43.569 -28.853 -16.724
 1108    HE1  TYR 145           HE2      TYR 145 -43.141 -30.352 -21.433
 1109    HE2  TYR 145           HE1      TYR 145 -45.356 -30.230 -17.753
 1110    HH   TYR 145           HH       TYR 145 -45.971 -30.572 -20.673
 1111    H    ARG 146           HN       ARG 146 -38.088 -30.002 -16.666
 1112    HA   ARG 146           HA       ARG 146 -37.386 -27.703 -14.927
 1113    HB2  ARG 146           HB2      ARG 146 -37.131 -30.686 -14.498
 1114    HB3  ARG 146           HB1      ARG 146 -36.434 -29.475 -13.418
 1115    HG2  ARG 146           HG2      ARG 146 -38.673 -28.511 -13.047
 1116    HG3  ARG 146           HG1      ARG 146 -39.372 -29.710 -14.135
 1117    HD2  ARG 146           HD2      ARG 146 -37.810 -30.406 -11.637
 1118    HD3  ARG 146           HD1      ARG 146 -39.569 -30.311 -11.702
 1119    HE   ARG 146           HE       ARG 146 -38.816 -32.022 -13.756
 1120   HH11  ARG 146          HH21      ARG 146 -38.485 -31.810 -10.320
 1121   HH12  ARG 146          HH22      ARG 146 -38.468 -33.524 -10.077
 1122   HH21  ARG 146          HH11      ARG 146 -38.793 -34.271 -13.447
 1123   HH22  ARG 146          HH12      ARG 146 -38.642 -34.919 -11.849
 1124    H    GLY 147           HN       GLY 147 -35.026 -27.836 -14.146
 1125    HA2  GLY 147           HA2      GLY 147 -32.742 -28.289 -14.630
 1126    HA3  GLY 147           HA1      GLY 147 -33.199 -28.812 -16.242
 1127    H    ARG 148           HN       ARG 148 -31.105 -27.177 -15.996
 1128    HA   ARG 148           HA       ARG 148 -31.660 -24.431 -16.142
 1129    HB2  ARG 148           HB2      ARG 148 -29.450 -24.271 -17.253
 1130    HB3  ARG 148           HB1      ARG 148 -29.402 -25.258 -15.785
 1131    HG2  ARG 148           HG2      ARG 148 -29.702 -27.295 -17.224
 1132    HG3  ARG 148           HG1      ARG 148 -29.548 -26.259 -18.646
 1133    HD2  ARG 148           HD2      ARG 148 -27.373 -27.193 -18.203
 1134    HD3  ARG 148           HD1      ARG 148 -27.321 -25.495 -17.735
 1135    HE   ARG 148           HE       ARG 148 -28.051 -26.966 -15.466
 1136   HH11  ARG 148          HH21      ARG 148 -25.400 -26.645 -17.666
 1137   HH12  ARG 148          HH22      ARG 148 -24.196 -27.050 -16.489
 1138   HH21  ARG 148          HH11      ARG 148 -26.480 -27.499 -13.918
 1139   HH22  ARG 148          HH12      ARG 148 -24.807 -27.534 -14.366
 1140    H    GLN 149           HN       GLN 149 -32.356 -23.144 -17.713
 1141    HA   GLN 149           HA       GLN 149 -33.401 -24.371 -20.135
 1142    HB2  GLN 149           HB2      GLN 149 -33.609 -21.601 -18.957
 1143    HB3  GLN 149           HB1      GLN 149 -34.329 -22.056 -20.505
 1144    HG2  GLN 149           HG2      GLN 149 -35.791 -23.619 -19.492
 1145    HG3  GLN 149           HG1      GLN 149 -34.869 -23.637 -17.990
 1146   HE21  GLN 149          HE21      GLN 149 -36.051 -22.627 -16.398
 1147   HE22  GLN 149          HE22      GLN 149 -36.944 -21.192 -16.597
 1148    H    TYR 150           HN       TYR 150 -32.769 -23.857 -22.216
 1149    HA   TYR 150           HA       TYR 150 -30.154 -22.469 -22.460
 1150    HB2  TYR 150           HB2      TYR 150 -31.420 -24.677 -24.089
 1151    HB3  TYR 150           HB1      TYR 150 -29.998 -23.779 -24.618
 1152    HD1  TYR 150           HD2      TYR 150 -28.083 -23.548 -22.791
 1153    HD2  TYR 150           HD1      TYR 150 -31.078 -26.626 -22.837
 1154    HE1  TYR 150           HE2      TYR 150 -26.625 -24.988 -21.394
 1155    HE2  TYR 150           HE1      TYR 150 -29.623 -28.066 -21.442
 1156    HH   TYR 150           HH       TYR 150 -26.317 -27.312 -20.849
 1157    H    LEU 151           HN       LEU 151 -30.097 -20.623 -23.548
 1158    HA   LEU 151           HA       LEU 151 -32.049 -20.110 -25.684
 1159    HB2  LEU 151           HB2      LEU 151 -33.015 -19.107 -23.637
 1160    HB3  LEU 151           HB1      LEU 151 -31.530 -18.187 -23.400
 1161    HG   LEU 151           HG       LEU 151 -31.880 -17.050 -25.566
 1162   HD11  LEU 151          HD11      LEU 151 -34.355 -17.383 -26.465
 1163   HD12  LEU 151          HD12      LEU 151 -34.182 -18.974 -25.727
 1164   HD13  LEU 151          HD13      LEU 151 -33.059 -18.457 -26.985
 1165   HD21  LEU 151          HD21      LEU 151 -33.843 -15.710 -24.887
 1166   HD22  LEU 151          HD22      LEU 151 -32.807 -16.063 -23.503
 1167   HD23  LEU 151          HD23      LEU 151 -34.302 -16.967 -23.739
 1168    H    LEU 152           HN       LEU 152 -30.410 -20.236 -27.195
 1169    HA   LEU 152           HA       LEU 152 -28.714 -17.871 -27.363
 1170    HB2  LEU 152           HB2      LEU 152 -27.364 -19.587 -26.107
 1171    HB3  LEU 152           HB1      LEU 152 -27.474 -20.628 -27.525
 1172    HG   LEU 152           HG       LEU 152 -26.441 -18.787 -28.886
 1173   HD11  LEU 152          HD11      LEU 152 -26.739 -16.763 -27.779
 1174   HD12  LEU 152          HD12      LEU 152 -25.093 -17.143 -27.290
 1175   HD13  LEU 152          HD13      LEU 152 -26.434 -17.458 -26.188
 1176   HD21  LEU 152          HD21      LEU 152 -25.017 -20.566 -28.192
 1177   HD22  LEU 152          HD22      LEU 152 -24.973 -19.982 -26.529
 1178   HD23  LEU 152          HD23      LEU 152 -24.141 -19.087 -27.801
 1179    H    ASP 153           HN       ASP 153 -28.220 -17.306 -29.447
 1180    HA   ASP 153           HA       ASP 153 -28.748 -17.149 -31.702
 1181    HB2  ASP 153           HB2      ASP 153 -27.773 -19.011 -32.992
 1182    HB3  ASP 153           HB1      ASP 153 -26.703 -18.498 -31.688
 1183    H    LYS 154           HN       LYS 154 -30.970 -16.982 -31.870
 1184    HA   LYS 154           HA       LYS 154 -32.605 -19.418 -31.893
 1185    HB2  LYS 154           HB2      LYS 154 -33.344 -16.504 -32.215
 1186    HB3  LYS 154           HB1      LYS 154 -34.487 -17.841 -32.095
 1187    HG2  LYS 154           HG2      LYS 154 -33.556 -18.421 -29.873
 1188    HG3  LYS 154           HG1      LYS 154 -32.466 -17.041 -29.982
 1189    HD2  LYS 154           HD2      LYS 154 -35.477 -16.785 -30.175
 1190    HD3  LYS 154           HD1      LYS 154 -34.599 -16.638 -28.657
 1191    HE2  LYS 154           HE2      LYS 154 -33.192 -14.834 -29.844
 1192    HE3  LYS 154           HE1      LYS 154 -34.448 -14.845 -31.082
 1193    HZ1  LYS 154           HZ1      LYS 154 -35.807 -13.699 -29.778
 1194    HZ2  LYS 154           HZ2      LYS 154 -34.501 -13.455 -28.717
 1195    HZ3  LYS 154           HZ3      LYS 154 -35.567 -14.753 -28.470
 1196    H    LYS 155           HN       LYS 155 -31.917 -20.430 -33.803
 1197    HA   LYS 155           HA       LYS 155 -33.213 -19.506 -36.190
 1198    HB2  LYS 155           HB2      LYS 155 -31.142 -18.124 -36.208
 1199    HB3  LYS 155           HB1      LYS 155 -30.193 -19.610 -36.192
 1200    HG2  LYS 155           HG2      LYS 155 -31.157 -20.309 -38.314
 1201    HG3  LYS 155           HG1      LYS 155 -32.252 -18.928 -38.306
 1202    HD2  LYS 155           HD2      LYS 155 -30.454 -18.319 -39.753
 1203    HD3  LYS 155           HD1      LYS 155 -30.185 -17.439 -38.253
 1204    HE2  LYS 155           HE2      LYS 155 -28.466 -18.957 -37.564
 1205    HE3  LYS 155           HE1      LYS 155 -28.893 -20.119 -38.821
 1206    HZ1  LYS 155           HZ1      LYS 155 -28.235 -18.469 -40.483
 1207    HZ2  LYS 155           HZ2      LYS 155 -26.943 -18.866 -39.454
 1208    HZ3  LYS 155           HZ3      LYS 155 -27.775 -17.399 -39.250
 1209    H    GLU 156           HN       GLU 156 -30.658 -21.616 -34.910
 1210    HA   GLU 156           HA       GLU 156 -32.036 -23.991 -35.592
 1211    HB2  GLU 156           HB2      GLU 156 -31.169 -22.996 -37.885
 1212    HB3  GLU 156           HB1      GLU 156 -29.622 -23.652 -37.362
 1213    HG2  GLU 156           HG2      GLU 156 -30.562 -25.884 -37.180
 1214    HG3  GLU 156           HG1      GLU 156 -32.184 -25.274 -37.512
 1215    H    TYR 157           HN       TYR 157 -30.575 -25.950 -35.371
 1216    HA   TYR 157           HA       TYR 157 -28.167 -25.410 -33.795
 1217    HB2  TYR 157           HB2      TYR 157 -30.237 -27.356 -32.806
 1218    HB3  TYR 157           HB1      TYR 157 -28.834 -26.727 -31.944
 1219    HD1  TYR 157           HD2      TYR 157 -28.754 -24.053 -31.741
 1220    HD2  TYR 157           HD1      TYR 157 -32.309 -26.373 -32.402
 1221    HE1  TYR 157           HE2      TYR 157 -30.136 -22.184 -30.887
 1222    HE2  TYR 157           HE1      TYR 157 -33.682 -24.512 -31.550
 1223    HH   TYR 157           HH       TYR 157 -33.572 -22.556 -30.313
 1224    H    ARG 158           HN       ARG 158 -26.658 -26.402 -34.969
 1225    HA   ARG 158           HA       ARG 158 -27.259 -29.001 -36.193
 1226    HB2  ARG 158           HB2      ARG 158 -25.294 -28.629 -37.541
 1227    HB3  ARG 158           HB1      ARG 158 -26.268 -27.168 -37.576
 1228    HG2  ARG 158           HG2      ARG 158 -24.824 -26.193 -35.802
 1229    HG3  ARG 158           HG1      ARG 158 -23.824 -27.646 -35.851
 1230    HD2  ARG 158           HD2      ARG 158 -24.366 -25.970 -38.291
 1231    HD3  ARG 158           HD1      ARG 158 -22.970 -25.713 -37.248
 1232    HE   ARG 158           HE       ARG 158 -23.373 -27.901 -39.108
 1233   HH11  ARG 158          HH21      ARG 158 -21.776 -26.754 -36.259
 1234   HH12  ARG 158          HH22      ARG 158 -20.425 -27.828 -36.414
 1235   HH21  ARG 158          HH11      ARG 158 -21.599 -29.313 -39.319
 1236   HH22  ARG 158          HH12      ARG 158 -20.327 -29.273 -38.144
 1237    H    LYS 159           HN       LYS 159 -25.250 -27.499 -33.765
 1238    HA   LYS 159           HA       LYS 159 -24.032 -30.142 -33.182
 1239    HB2  LYS 159           HB2      LYS 159 -22.245 -28.643 -32.014
 1240    HB3  LYS 159           HB1      LYS 159 -22.238 -28.750 -33.775
 1241    HG2  LYS 159           HG2      LYS 159 -23.596 -26.620 -33.824
 1242    HG3  LYS 159           HG1      LYS 159 -23.409 -26.540 -32.081
 1243    HD2  LYS 159           HD2      LYS 159 -21.045 -26.301 -32.244
 1244    HD3  LYS 159           HD1      LYS 159 -21.063 -26.677 -33.967
 1245    HE2  LYS 159           HE2      LYS 159 -22.503 -24.299 -32.773
 1246    HE3  LYS 159           HE1      LYS 159 -20.865 -24.205 -33.417
 1247    HZ1  LYS 159           HZ1      LYS 159 -22.938 -23.720 -34.916
 1248    HZ2  LYS 159           HZ2      LYS 159 -22.954 -25.410 -35.082
 1249    HZ3  LYS 159           HZ3      LYS 159 -21.581 -24.522 -35.544
 1250    HA   PRO 160           HA       PRO 160 -25.878 -30.149 -29.215
 1251    HB2  PRO 160           HB2      PRO 160 -23.692 -30.863 -27.603
 1252    HB3  PRO 160           HB1      PRO 160 -24.761 -31.966 -28.464
 1253    HG2  PRO 160           HG2      PRO 160 -22.086 -30.983 -29.237
 1254    HG3  PRO 160           HG1      PRO 160 -22.818 -32.576 -29.511
 1255    HD2  PRO 160           HD2      PRO 160 -22.590 -30.766 -31.485
 1256    HD3  PRO 160           HD1      PRO 160 -23.973 -31.861 -31.401
 1257    H    ILE 161           HN       ILE 161 -23.182 -28.108 -29.812
 1258    HA   ILE 161           HA       ILE 161 -23.624 -26.616 -27.306
 1259    HB   ILE 161           HB       ILE 161 -21.435 -26.303 -29.369
 1260   HG12  ILE 161          HG12      ILE 161 -20.260 -27.402 -27.131
 1261   HG13  ILE 161          HG11      ILE 161 -21.816 -28.227 -27.115
 1262   HG21  ILE 161          HG21      ILE 161 -20.340 -25.247 -27.259
 1263   HG22  ILE 161          HG22      ILE 161 -21.986 -25.129 -26.639
 1264   HG23  ILE 161          HG23      ILE 161 -21.542 -24.308 -28.137
 1265   HD11  ILE 161          HD11      ILE 161 -19.727 -28.228 -29.316
 1266   HD12  ILE 161          HD12      ILE 161 -21.386 -28.760 -29.598
 1267   HD13  ILE 161          HD13      ILE 161 -20.375 -29.608 -28.429
 1268    H    ASP 162           HN       ASP 162 -24.673 -26.678 -30.417
 1269    HA   ASP 162           HA       ASP 162 -24.514 -23.996 -31.237
 1270    HB2  ASP 162           HB2      ASP 162 -25.460 -26.219 -32.462
 1271    HB3  ASP 162           HB1      ASP 162 -26.965 -25.509 -31.951
 1272    H    TRP 163           HN       TRP 163 -26.620 -25.620 -28.953
 1273    HA   TRP 163           HA       TRP 163 -28.278 -23.182 -28.711
 1274    HB2  TRP 163           HB2      TRP 163 -29.684 -24.803 -27.239
 1275    HB3  TRP 163           HB1      TRP 163 -29.750 -24.977 -28.993
 1276    HD1  TRP 163           HD1      TRP 163 -27.223 -26.271 -26.362
 1277    HE1  TRP 163           HE1      TRP 163 -26.901 -28.792 -26.746
 1278    HE3  TRP 163           HE3      TRP 163 -30.456 -27.047 -30.254
 1279    HZ2  TRP 163           HZ2      TRP 163 -27.842 -30.824 -28.425
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.692 -29.315 -31.236
 1281    HH2  TRP 163           HH2      TRP 163 -29.340 -31.200 -30.313
 1282    H    GLY 164           HN       GLY 164 -25.472 -23.744 -27.614
 1283    HA2  GLY 164           HA2      GLY 164 -24.356 -22.998 -25.764
 1284    HA3  GLY 164           HA1      GLY 164 -25.897 -22.420 -25.148
 1285    H    ALA 165           HN       ALA 165 -25.394 -25.828 -25.946
 1286    HA   ALA 165           HA       ALA 165 -25.483 -26.445 -23.025
 1287    HB1  ALA 165           HB1      ALA 165 -26.495 -28.547 -23.548
 1288    HB2  ALA 165           HB2      ALA 165 -26.279 -28.276 -25.271
 1289    HB3  ALA 165           HB3      ALA 165 -27.422 -27.288 -24.366
 1290    H    ALA 166           HN       ALA 166 -23.924 -27.682 -22.140
 1291    HA   ALA 166           HA       ALA 166 -21.518 -28.018 -23.672
 1292    HB1  ALA 166           HB1      ALA 166 -21.612 -27.372 -21.235
 1293    HB2  ALA 166           HB2      ALA 166 -20.517 -28.703 -21.609
 1294    HB3  ALA 166           HB3      ALA 166 -22.092 -29.034 -20.887
 1295    H    SER 167           HN       SER 167 -24.084 -29.634 -24.241
 1296    HA   SER 167           HA       SER 167 -22.882 -31.930 -25.196
 1297    HB2  SER 167           HB2      SER 167 -23.516 -32.046 -22.337
 1298    HB3  SER 167           HB1      SER 167 -24.205 -33.386 -23.246
 1299    HG   SER 167           HG       SER 167 -21.600 -32.819 -22.641
 1300    HA   PRO 168           HA       PRO 168 -27.003 -32.316 -26.887
 1301    HB2  PRO 168           HB2      PRO 168 -26.985 -34.877 -27.823
 1302    HB3  PRO 168           HB1      PRO 168 -26.038 -33.593 -28.581
 1303    HG2  PRO 168           HG2      PRO 168 -25.145 -35.707 -26.696
 1304    HG3  PRO 168           HG1      PRO 168 -24.323 -35.055 -28.114
 1305    HD2  PRO 168           HD2      PRO 168 -23.691 -34.307 -25.539
 1306    HD3  PRO 168           HD1      PRO 168 -23.439 -33.268 -26.957
 1307    H    ALA 169           HN       ALA 169 -26.137 -33.707 -24.046
 1308    HA   ALA 169           HA       ALA 169 -28.265 -35.607 -23.728
 1309    HB1  ALA 169           HB1      ALA 169 -27.497 -35.552 -21.320
 1310    HB2  ALA 169           HB2      ALA 169 -26.286 -34.366 -21.807
 1311    HB3  ALA 169           HB3      ALA 169 -26.245 -35.995 -22.478
 1312    H    VAL 170           HN       VAL 170 -29.882 -33.880 -24.482
 1313    HA   VAL 170           HA       VAL 170 -30.648 -32.065 -22.295
 1314    HB   VAL 170           HB       VAL 170 -32.017 -32.234 -24.977
 1315   HG11  VAL 170          HG11      VAL 170 -32.490 -30.684 -22.720
 1316   HG12  VAL 170          HG12      VAL 170 -32.984 -30.253 -24.350
 1317   HG13  VAL 170          HG13      VAL 170 -31.482 -29.614 -23.689
 1318   HG21  VAL 170          HG21      VAL 170 -29.695 -32.087 -25.569
 1319   HG22  VAL 170          HG22      VAL 170 -29.378 -30.904 -24.300
 1320   HG23  VAL 170          HG23      VAL 170 -30.343 -30.453 -25.706
 1321    H    GLN 171           HN       GLN 171 -33.405 -32.053 -23.202
 1322    HA   GLN 171           HA       GLN 171 -34.441 -34.692 -22.770
 1323    HB2  GLN 171           HB2      GLN 171 -34.702 -32.611 -20.604
 1324    HB3  GLN 171           HB1      GLN 171 -35.854 -33.918 -20.768
 1325    HG2  GLN 171           HG2      GLN 171 -32.877 -34.292 -20.384
 1326    HG3  GLN 171           HG1      GLN 171 -34.096 -34.468 -19.154
 1327   HE21  GLN 171          HE21      GLN 171 -32.447 -36.164 -21.617
 1328   HE22  GLN 171          HE22      GLN 171 -33.437 -37.543 -21.634
 1329    H    SER 172           HN       SER 172 -36.846 -32.961 -21.609
 1330    HA   SER 172           HA       SER 172 -38.080 -32.726 -24.235
 1331    HB2  SER 172           HB2      SER 172 -40.053 -33.085 -23.133
 1332    HB3  SER 172           HB1      SER 172 -38.932 -33.886 -22.045
 1333    HG   SER 172           HG       SER 172 -40.048 -31.293 -21.822
 1334    H    PHE 173           HN       PHE 173 -40.147 -30.937 -23.386
 1335    HA   PHE 173           HA       PHE 173 -39.011 -28.444 -22.666
 1336    HB2  PHE 173           HB2      PHE 173 -39.103 -27.325 -24.840
 1337    HB3  PHE 173           HB1      PHE 173 -37.946 -28.658 -24.867
 1338    HD1  PHE 173           HD1      PHE 173 -41.364 -27.625 -25.847
 1339    HD2  PHE 173           HD2      PHE 173 -38.289 -30.597 -26.218
 1340    HE1  PHE 173           HE1      PHE 173 -42.612 -28.686 -27.702
 1341    HE2  PHE 173           HE2      PHE 173 -39.535 -31.660 -28.074
 1342    HZ   PHE 173           HZ       PHE 173 -41.702 -30.705 -28.820
 1343    H    ARG 174           HN       ARG 174 -40.563 -26.625 -23.652
 1344    HA   ARG 174           HA       ARG 174 -43.296 -27.482 -23.899
 1345    HB2  ARG 174           HB2      ARG 174 -43.998 -26.102 -21.873
 1346    HB3  ARG 174           HB1      ARG 174 -43.280 -27.679 -21.559
 1347    HG2  ARG 174           HG2      ARG 174 -41.250 -26.765 -20.822
 1348    HG3  ARG 174           HG1      ARG 174 -41.497 -25.251 -21.683
 1349    HD2  ARG 174           HD2      ARG 174 -43.121 -26.142 -19.285
 1350    HD3  ARG 174           HD1      ARG 174 -41.775 -25.003 -19.225
 1351    HE   ARG 174           HE       ARG 174 -43.548 -24.027 -21.132
 1352   HH11  ARG 174          HH21      ARG 174 -43.487 -24.789 -17.757
 1353   HH12  ARG 174          HH22      ARG 174 -44.660 -23.591 -17.324
 1354   HH21  ARG 174          HH11      ARG 174 -45.081 -22.456 -20.576
 1355   HH22  ARG 174          HH12      ARG 174 -45.566 -22.268 -18.924
 1356    H    ARG 175           HN       ARG 175 -44.393 -26.051 -25.087
 1357    HA   ARG 175           HA       ARG 175 -43.213 -23.876 -26.315
 1358    HB2  ARG 175           HB2      ARG 175 -45.449 -23.246 -27.023
 1359    HB3  ARG 175           HB1      ARG 175 -45.336 -25.000 -27.041
 1360    HG2  ARG 175           HG2      ARG 175 -46.352 -25.020 -24.745
 1361    HG3  ARG 175           HG1      ARG 175 -46.639 -23.291 -24.922
 1362    HD2  ARG 175           HD2      ARG 175 -47.967 -23.720 -26.958
 1363    HD3  ARG 175           HD1      ARG 175 -47.701 -25.450 -26.756
 1364    HE   ARG 175           HE       ARG 175 -48.851 -24.220 -24.420
 1365   HH11  ARG 175          HH21      ARG 175 -49.463 -25.539 -27.558
 1366   HH12  ARG 175          HH22      ARG 175 -51.102 -25.977 -27.204
 1367   HH21  ARG 175          HH11      ARG 175 -50.992 -24.795 -23.945
 1368   HH22  ARG 175          HH12      ARG 175 -51.966 -25.556 -25.156
 1369    H    ILE 176           HN       ILE 176 -42.923 -21.784 -25.871
 1370    HA   ILE 176           HA       ILE 176 -43.157 -20.870 -23.173
 1371    HB   ILE 176           HB       ILE 176 -42.729 -19.148 -25.621
 1372   HG12  ILE 176          HG12      ILE 176 -40.749 -20.818 -24.044
 1373   HG13  ILE 176          HG11      ILE 176 -41.172 -21.015 -25.746
 1374   HG21  ILE 176          HG21      ILE 176 -41.580 -18.859 -22.838
 1375   HG22  ILE 176          HG22      ILE 176 -43.136 -18.156 -23.280
 1376   HG23  ILE 176          HG23      ILE 176 -41.670 -17.645 -24.115
 1377   HD11  ILE 176          HD11      ILE 176 -39.460 -18.947 -24.447
 1378   HD12  ILE 176          HD12      ILE 176 -40.445 -18.433 -25.810
 1379   HD13  ILE 176          HD13      ILE 176 -39.281 -19.740 -26.011
 1380    H    VAL 177           HN       VAL 177 -44.713 -19.669 -22.200
 1381    HA   VAL 177           HA       VAL 177 -46.895 -18.545 -23.844
 1382    HB   VAL 177           HB       VAL 177 -48.563 -19.466 -22.300
 1383   HG11  VAL 177          HG11      VAL 177 -47.780 -20.704 -24.366
 1384   HG12  VAL 177          HG12      VAL 177 -48.495 -21.729 -23.120
 1385   HG13  VAL 177          HG13      VAL 177 -46.743 -21.657 -23.308
 1386   HG21  VAL 177          HG21      VAL 177 -47.238 -19.665 -20.278
 1387   HG22  VAL 177          HG22      VAL 177 -46.134 -20.796 -21.059
 1388   HG23  VAL 177          HG23      VAL 177 -47.797 -21.279 -20.719
 1389    H    GLU 178           HN       GLU 178 -48.199 -16.980 -22.667
 1390    HA   GLU 178           HA       GLU 178 -47.434 -16.042 -20.093
 1391    HB2  GLU 178           HB2      GLU 178 -45.508 -15.302 -21.643
 1392    HB3  GLU 178           HB1      GLU 178 -46.664 -14.155 -22.319
 1393    HG2  GLU 178           HG2      GLU 178 -45.504 -12.999 -20.569
 1394    HG3  GLU 178           HG1      GLU 178 -47.103 -13.389 -19.940
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1 -50.676  -7.153 -17.916
    2    H2   GLY   1           HT2      GLY   1 -49.679  -8.188 -17.008
    3    H3   GLY   1           HT3      GLY   1 -51.359  -8.436 -17.042
    4    HA2  GLY   1           HA2      GLY   1 -49.594  -9.742 -18.591
    5    HA3  GLY   1           HA1      GLY   1 -51.306  -9.543 -18.970
    6    H    SER   2           HN       SER   2 -48.421  -7.440 -19.054
    7    HA   SER   2           HA       SER   2 -49.326  -6.225 -21.549
    8    HB2  SER   2           HB2      SER   2 -47.552  -4.663 -21.243
    9    HB3  SER   2           HB1      SER   2 -48.262  -4.932 -19.656
   10    HG   SER   2           HG       SER   2 -45.784  -5.146 -20.208
   11    H    LYS   3           HN       LYS   3 -47.726  -5.966 -23.343
   12    HA   LYS   3           HA       LYS   3 -45.836  -8.215 -23.612
   13    HB2  LYS   3           HB2      LYS   3 -47.832  -7.554 -25.779
   14    HB3  LYS   3           HB1      LYS   3 -46.752  -8.949 -25.676
   15    HG2  LYS   3           HG2      LYS   3 -47.959  -9.689 -23.625
   16    HG3  LYS   3           HG1      LYS   3 -49.086  -8.349 -23.838
   17    HD2  LYS   3           HD2      LYS   3 -49.725  -9.222 -26.055
   18    HD3  LYS   3           HD1      LYS   3 -48.595 -10.561 -25.856
   19    HE2  LYS   3           HE2      LYS   3 -50.859 -11.294 -25.273
   20    HE3  LYS   3           HE1      LYS   3 -49.842 -11.283 -23.830
   21    HZ1  LYS   3           HZ1      LYS   3 -51.241  -8.808 -24.425
   22    HZ2  LYS   3           HZ2      LYS   3 -50.974  -9.575 -22.934
   23    HZ3  LYS   3           HZ3      LYS   3 -52.222 -10.110 -23.954
   24    H    THR   4           HN       THR   4 -46.464  -4.982 -23.842
   25    HA   THR   4           HA       THR   4 -44.783  -4.451 -26.183
   26    HB   THR   4           HB       THR   4 -46.476  -2.877 -26.170
   27    HG1  THR   4           HG1      THR   4 -45.001  -1.413 -24.335
   28   HG21  THR   4          HG21      THR   4 -47.221  -1.803 -23.943
   29   HG22  THR   4          HG22      THR   4 -46.332  -3.112 -23.164
   30   HG23  THR   4          HG23      THR   4 -47.686  -3.479 -24.231
   31    H    GLY   5           HN       GLY   5 -44.677  -2.415 -23.356
   32    HA2  GLY   5           HA2      GLY   5 -41.786  -2.531 -23.327
   33    HA3  GLY   5           HA1      GLY   5 -42.804  -1.524 -22.303
   34    H    THR   6           HN       THR   6 -40.801  -4.199 -22.383
   35    HA   THR   6           HA       THR   6 -42.020  -5.648 -20.163
   36    HB   THR   6           HB       THR   6 -40.310  -7.239 -20.487
   37    HG1  THR   6           HG1      THR   6 -38.349  -6.656 -20.926
   38   HG21  THR   6          HG21      THR   6 -40.642  -5.970 -23.216
   39   HG22  THR   6          HG22      THR   6 -41.874  -6.966 -22.439
   40   HG23  THR   6          HG23      THR   6 -40.312  -7.666 -22.867
   41    H    LYS   7           HN       LYS   7 -40.800  -6.037 -18.184
   42    HA   LYS   7           HA       LYS   7 -38.639  -4.274 -17.460
   43    HB2  LYS   7           HB2      LYS   7 -40.206  -2.585 -17.076
   44    HB3  LYS   7           HB1      LYS   7 -41.436  -3.721 -16.522
   45    HG2  LYS   7           HG2      LYS   7 -40.372  -4.031 -14.419
   46    HG3  LYS   7           HG1      LYS   7 -38.866  -3.285 -14.994
   47    HD2  LYS   7           HD2      LYS   7 -39.807  -1.119 -14.987
   48    HD3  LYS   7           HD1      LYS   7 -41.451  -1.738 -14.883
   49    HE2  LYS   7           HE2      LYS   7 -41.247  -2.285 -12.617
   50    HE3  LYS   7           HE1      LYS   7 -39.490  -2.377 -12.683
   51    HZ1  LYS   7           HZ1      LYS   7 -40.231   0.208 -13.419
   52    HZ2  LYS   7           HZ2      LYS   7 -39.408  -0.285 -12.017
   53    HZ3  LYS   7           HZ3      LYS   7 -41.104  -0.176 -12.016
   54    H    ILE   8           HN       ILE   8 -37.669  -4.800 -15.462
   55    HA   ILE   8           HA       ILE   8 -38.826  -7.007 -13.925
   56    HB   ILE   8           HB       ILE   8 -37.499  -8.087 -15.718
   57   HG12  ILE   8          HG12      ILE   8 -36.075  -8.447 -13.074
   58   HG13  ILE   8          HG11      ILE   8 -37.751  -8.954 -13.277
   59   HG21  ILE   8          HG21      ILE   8 -35.052  -7.900 -15.621
   60   HG22  ILE   8          HG22      ILE   8 -35.177  -6.666 -14.380
   61   HG23  ILE   8          HG23      ILE   8 -35.783  -6.347 -16.007
   62   HD11  ILE   8          HD11      ILE   8 -35.587  -9.820 -15.199
   63   HD12  ILE   8          HD12      ILE   8 -37.188 -10.522 -14.967
   64   HD13  ILE   8          HD13      ILE   8 -35.948 -10.726 -13.729
   65    H    THR   9           HN       THR   9 -38.216  -7.097 -11.808
   66    HA   THR   9           HA       THR   9 -36.247  -5.084 -10.928
   67    HB   THR   9           HB       THR   9 -38.844  -5.807  -9.558
   68    HG1  THR   9           HG1      THR   9 -39.228  -4.451 -11.267
   69   HG21  THR   9          HG21      THR   9 -37.112  -5.315  -7.932
   70   HG22  THR   9          HG22      THR   9 -38.183  -3.922  -8.050
   71   HG23  THR   9          HG23      THR   9 -36.610  -3.895  -8.842
   72    H    PHE  10           HN       PHE  10 -34.813  -5.679  -9.408
   73    HA   PHE  10           HA       PHE  10 -34.983  -8.464  -8.393
   74    HB2  PHE  10           HB2      PHE  10 -32.478  -6.866  -8.967
   75    HB3  PHE  10           HB1      PHE  10 -32.576  -8.570  -8.528
   76    HD1  PHE  10           HD2      PHE  10 -33.706 -10.183 -10.125
   77    HD2  PHE  10           HD1      PHE  10 -32.739  -6.150 -11.219
   78    HE1  PHE  10           HE2      PHE  10 -33.942 -10.782 -12.517
   79    HE2  PHE  10           HE1      PHE  10 -32.970  -6.746 -13.614
   80    HZ   PHE  10           HZ       PHE  10 -33.571  -9.064 -14.262
   81    H    TYR  11           HN       TYR  11 -35.405  -8.428  -6.257
   82    HA   TYR  11           HA       TYR  11 -34.609  -6.094  -4.657
   83    HB2  TYR  11           HB2      TYR  11 -36.514  -8.392  -4.173
   84    HB3  TYR  11           HB1      TYR  11 -36.110  -7.193  -2.950
   85    HD1  TYR  11           HD2      TYR  11 -36.778  -4.862  -3.180
   86    HD2  TYR  11           HD1      TYR  11 -37.864  -7.792  -6.128
   87    HE1  TYR  11           HE2      TYR  11 -38.470  -3.300  -4.108
   88    HE2  TYR  11           HE1      TYR  11 -39.555  -6.233  -7.054
   89    HH   TYR  11           HH       TYR  11 -40.125  -3.953  -7.104
   90    H    GLU  12           HN       GLU  12 -33.222  -6.205  -2.996
   91    HA   GLU  12           HA       GLU  12 -31.296  -8.250  -2.941
   92    HB2  GLU  12           HB2      GLU  12 -31.333  -5.749  -2.002
   93    HB3  GLU  12           HB1      GLU  12 -31.743  -6.566  -0.505
   94    HG2  GLU  12           HG2      GLU  12 -29.363  -7.377  -2.193
   95    HG3  GLU  12           HG1      GLU  12 -29.265  -6.152  -0.944
   96    H    ASP  13           HN       ASP  13 -33.926  -7.500  -0.657
   97    HA   ASP  13           HA       ASP  13 -33.558 -10.104   0.619
   98    HB2  ASP  13           HB2      ASP  13 -35.223  -7.680   1.298
   99    HB3  ASP  13           HB1      ASP  13 -35.368  -9.211   2.158
  100    H    LYS  14           HN       LYS  14 -35.869 -10.917   1.369
  101    HA   LYS  14           HA       LYS  14 -37.164 -11.770  -1.073
  102    HB2  LYS  14           HB2      LYS  14 -37.508 -12.490   1.828
  103    HB3  LYS  14           HB1      LYS  14 -38.549 -13.121   0.557
  104    HG2  LYS  14           HG2      LYS  14 -36.749 -14.173  -0.563
  105    HG3  LYS  14           HG1      LYS  14 -35.547 -13.336   0.405
  106    HD2  LYS  14           HD2      LYS  14 -37.579 -15.137   1.731
  107    HD3  LYS  14           HD1      LYS  14 -36.142 -15.830   0.983
  108    HE2  LYS  14           HE2      LYS  14 -34.757 -14.243   2.381
  109    HE3  LYS  14           HE1      LYS  14 -36.237 -13.791   3.225
  110    HZ1  LYS  14           HZ1      LYS  14 -36.331 -15.739   4.291
  111    HZ2  LYS  14           HZ2      LYS  14 -34.663 -15.783   3.976
  112    HZ3  LYS  14           HZ3      LYS  14 -35.743 -16.630   2.974
  113    H    ASN  15           HN       ASN  15 -39.690 -12.079  -0.631
  114    HA   ASN  15           HA       ASN  15 -41.660 -10.979  -0.927
  115    HB2  ASN  15           HB2      ASN  15 -40.827  -9.624   1.643
  116    HB3  ASN  15           HB1      ASN  15 -42.460  -9.819   1.029
  117   HD21  ASN  15          HD21      ASN  15 -39.838 -12.232   1.119
  118   HD22  ASN  15          HD22      ASN  15 -40.675 -13.342   2.093
  119    H    PHE  16           HN       PHE  16 -39.242  -9.651  -2.052
  120    HA   PHE  16           HA       PHE  16 -38.753  -7.783  -3.209
  121    HB2  PHE  16           HB2      PHE  16 -41.374  -6.455  -2.729
  122    HB3  PHE  16           HB1      PHE  16 -40.491  -6.693  -4.237
  123    HD1  PHE  16           HD2      PHE  16 -40.294  -9.154  -5.083
  124    HD2  PHE  16           HD1      PHE  16 -43.232  -7.817  -2.253
  125    HE1  PHE  16           HE2      PHE  16 -41.708 -11.123  -5.614
  126    HE2  PHE  16           HE1      PHE  16 -44.641  -9.781  -2.783
  127    HZ   PHE  16           HZ       PHE  16 -43.881 -11.433  -4.464
  128    H    GLN  17           HN       GLN  17 -37.992  -7.831  -0.526
  129    HA   GLN  17           HA       GLN  17 -38.441  -5.074   0.427
  130    HB2  GLN  17           HB2      GLN  17 -37.532  -7.591   1.836
  131    HB3  GLN  17           HB1      GLN  17 -37.496  -5.989   2.576
  132    HG2  GLN  17           HG2      GLN  17 -39.894  -5.739   2.273
  133    HG3  GLN  17           HG1      GLN  17 -39.977  -7.272   1.403
  134   HE21  GLN  17          HE21      GLN  17 -39.051  -9.216   2.766
  135   HE22  GLN  17          HE22      GLN  17 -39.484  -9.231   4.414
  136    H    GLY  18           HN       GLY  18 -36.434  -4.356   1.776
  137    HA2  GLY  18           HA2      GLY  18 -34.244  -3.669   1.801
  138    HA3  GLY  18           HA1      GLY  18 -33.848  -5.153   0.941
  139    H    ARG  19           HN       ARG  19 -32.339  -3.905  -0.181
  140    HA   ARG  19           HA       ARG  19 -32.821  -1.663  -1.792
  141    HB2  ARG  19           HB2      ARG  19 -30.602  -3.169  -1.363
  142    HB3  ARG  19           HB1      ARG  19 -31.021  -3.727  -2.973
  143    HG2  ARG  19           HG2      ARG  19 -29.690  -1.897  -3.504
  144    HG3  ARG  19           HG1      ARG  19 -31.282  -1.142  -3.493
  145    HD2  ARG  19           HD2      ARG  19 -30.896  -0.533  -1.085
  146    HD3  ARG  19           HD1      ARG  19 -29.256  -1.153  -1.242
  147    HE   ARG  19           HE       ARG  19 -29.578   0.680  -3.297
  148   HH11  ARG  19          HH21      ARG  19 -29.767   0.591   0.149
  149   HH12  ARG  19          HH22      ARG  19 -29.254   2.232   0.364
  150   HH21  ARG  19          HH11      ARG  19 -28.904   2.843  -3.033
  151   HH22  ARG  19          HH12      ARG  19 -28.765   3.508  -1.442
  152    H    ARG  20           HN       ARG  20 -32.693  -1.847  -4.376
  153    HA   ARG  20           HA       ARG  20 -33.981  -4.057  -5.556
  154    HB2  ARG  20           HB2      ARG  20 -36.141  -3.154  -6.054
  155    HB3  ARG  20           HB1      ARG  20 -35.912  -3.018  -4.314
  156    HG2  ARG  20           HG2      ARG  20 -36.497  -0.812  -4.600
  157    HG3  ARG  20           HG1      ARG  20 -34.851  -0.609  -5.191
  158    HD2  ARG  20           HD2      ARG  20 -35.835  -1.312  -7.495
  159    HD3  ARG  20           HD1      ARG  20 -37.394  -0.937  -6.770
  160    HE   ARG  20           HE       ARG  20 -35.315   0.973  -7.484
  161   HH11  ARG  20          HH21      ARG  20 -38.167   0.280  -5.648
  162   HH12  ARG  20          HH22      ARG  20 -38.633   1.941  -5.485
  163   HH21  ARG  20          HH11      ARG  20 -35.920   3.157  -7.265
  164   HH22  ARG  20          HH12      ARG  20 -37.363   3.567  -6.400
  165    H    TYR  21           HN       TYR  21 -34.065  -3.816  -7.862
  166    HA   TYR  21           HA       TYR  21 -32.894  -1.308  -8.926
  167    HB2  TYR  21           HB2      TYR  21 -31.148  -3.080  -8.822
  168    HB3  TYR  21           HB1      TYR  21 -32.176  -4.120  -9.810
  169    HD1  TYR  21           HD1      TYR  21 -30.858  -0.601  -9.818
  170    HD2  TYR  21           HD2      TYR  21 -31.811  -4.097 -12.128
  171    HE1  TYR  21           HE1      TYR  21 -29.999   0.512 -11.856
  172    HE2  TYR  21           HE2      TYR  21 -30.946  -2.982 -14.166
  173    HH   TYR  21           HH       TYR  21 -29.603   0.324 -14.025
  174    H    ASP  22           HN       ASP  22 -33.987  -0.519 -10.635
  175    HA   ASP  22           HA       ASP  22 -36.024  -2.264 -11.925
  176    HB2  ASP  22           HB2      ASP  22 -36.156   0.662 -11.201
  177    HB3  ASP  22           HB1      ASP  22 -37.295  -0.114 -12.299
  178    H    CYS  23           HN       CYS  23 -35.856  -2.512 -14.057
  179    HA   CYS  23           HA       CYS  23 -34.762  -0.414 -15.743
  180    HB2  CYS  23           HB2      CYS  23 -32.794  -1.781 -14.908
  181    HB3  CYS  23           HB1      CYS  23 -33.468  -3.144 -15.805
  182    HG   CYS  23           HG       CYS  23 -32.588  -2.148 -17.894
  183    H    ASP  24           HN       ASP  24 -35.488  -0.543 -17.832
  184    HA   ASP  24           HA       ASP  24 -37.193  -2.852 -18.523
  185    HB2  ASP  24           HB2      ASP  24 -38.773  -1.365 -19.550
  186    HB3  ASP  24           HB1      ASP  24 -38.479  -0.790 -17.910
  187    H    CYS  25           HN       CYS  25 -34.339  -2.104 -19.172
  188    HA   CYS  25           HA       CYS  25 -34.549  -2.552 -22.065
  189    HB2  CYS  25           HB2      CYS  25 -33.182  -0.187 -20.787
  190    HB3  CYS  25           HB1      CYS  25 -32.684  -0.795 -22.366
  191    HG   CYS  25           HG       CYS  25 -34.627   0.376 -23.337
  192    H    ASP  26           HN       ASP  26 -32.847  -3.725 -22.909
  193    HA   ASP  26           HA       ASP  26 -31.483  -5.561 -21.503
  194    HB2  ASP  26           HB2      ASP  26 -30.461  -4.039 -23.907
  195    HB3  ASP  26           HB1      ASP  26 -29.760  -5.541 -23.307
  196    H    CYS  27           HN       CYS  27 -29.286  -5.785 -20.739
  197    HA   CYS  27           HA       CYS  27 -27.731  -3.398 -20.205
  198    HB2  CYS  27           HB2      CYS  27 -29.336  -4.770 -18.070
  199    HB3  CYS  27           HB1      CYS  27 -27.780  -4.042 -17.656
  200    HG   CYS  27           HG       CYS  27 -30.280  -2.479 -18.647
  201    H    ALA  28           HN       ALA  28 -25.686  -3.937 -19.076
  202    HA   ALA  28           HA       ALA  28 -24.719  -6.563 -19.971
  203    HB1  ALA  28           HB1      ALA  28 -22.501  -5.649 -19.608
  204    HB2  ALA  28           HB2      ALA  28 -23.180  -4.226 -18.815
  205    HB3  ALA  28           HB3      ALA  28 -23.458  -4.494 -20.536
  206    H    ASP  29           HN       ASP  29 -24.459  -4.537 -17.051
  207    HA   ASP  29           HA       ASP  29 -24.843  -6.868 -15.340
  208    HB2  ASP  29           HB2      ASP  29 -22.425  -6.920 -15.825
  209    HB3  ASP  29           HB1      ASP  29 -22.281  -5.270 -15.218
  210    H    PHE  30           HN       PHE  30 -26.354  -6.142 -14.019
  211    HA   PHE  30           HA       PHE  30 -26.244  -3.361 -13.027
  212    HB2  PHE  30           HB2      PHE  30 -28.544  -3.409 -12.819
  213    HB3  PHE  30           HB1      PHE  30 -28.356  -4.578 -14.122
  214    HD1  PHE  30           HD2      PHE  30 -28.335  -7.048 -13.564
  215    HD2  PHE  30           HD1      PHE  30 -29.382  -4.044 -10.695
  216    HE1  PHE  30           HE2      PHE  30 -29.404  -8.780 -12.135
  217    HE2  PHE  30           HE1      PHE  30 -30.446  -5.764  -9.269
  218    HZ   PHE  30           HZ       PHE  30 -30.467  -8.132  -9.994
  219    H    HIS  31           HN       HIS  31 -24.886  -6.074 -12.152
  220    HA   HIS  31           HA       HIS  31 -25.748  -6.670  -9.548
  221    HB2  HIS  31           HB2      HIS  31 -24.219  -8.135 -10.753
  222    HB3  HIS  31           HB1      HIS  31 -22.973  -6.880 -10.737
  223    HD2  HIS  31           HD2      HIS  31 -21.982  -6.265  -8.060
  224    HE1  HIS  31           HE1      HIS  31 -23.479  -9.826  -6.350
  225    HE2  HIS  31           HE2      HIS  31 -21.939  -7.841  -5.974
  226    H    THR  32           HN       THR  32 -23.802  -4.111 -10.819
  227    HA   THR  32           HA       THR  32 -22.525  -3.279  -8.444
  228    HB   THR  32           HB       THR  32 -21.647  -2.158 -10.270
  229    HG1  THR  32           HG1      THR  32 -23.715  -0.375  -9.501
  230   HG21  THR  32          HG21      THR  32 -24.505  -2.035 -11.228
  231   HG22  THR  32          HG22      THR  32 -23.126  -2.835 -11.984
  232   HG23  THR  32          HG23      THR  32 -23.237  -1.075 -11.989
  233    H    TYR  33           HN       TYR  33 -25.770  -2.777  -9.632
  234    HA   TYR  33           HA       TYR  33 -26.424  -0.792  -7.596
  235    HB2  TYR  33           HB2      TYR  33 -28.119  -2.188  -9.666
  236    HB3  TYR  33           HB1      TYR  33 -28.679  -0.903  -8.601
  237    HD1  TYR  33           HD2      TYR  33 -27.454   1.359  -8.672
  238    HD2  TYR  33           HD1      TYR  33 -26.976  -1.671 -11.669
  239    HE1  TYR  33           HE2      TYR  33 -26.541   3.051 -10.239
  240    HE2  TYR  33           HE1      TYR  33 -26.058   0.015 -13.236
  241    HH   TYR  33           HH       TYR  33 -25.006   2.175 -13.197
  242    H    LEU  34           HN       LEU  34 -26.362  -4.181  -7.834
  243    HA   LEU  34           HA       LEU  34 -27.830  -4.394  -5.308
  244    HB2  LEU  34           HB2      LEU  34 -29.380  -4.852  -7.281
  245    HB3  LEU  34           HB1      LEU  34 -28.405  -6.281  -7.595
  246    HG   LEU  34           HG       LEU  34 -28.854  -7.040  -5.274
  247   HD11  LEU  34          HD11      LEU  34 -29.416  -5.297  -3.880
  248   HD12  LEU  34          HD12      LEU  34 -31.054  -5.739  -4.352
  249   HD13  LEU  34          HD13      LEU  34 -30.236  -4.400  -5.157
  250   HD21  LEU  34          HD21      LEU  34 -31.399  -7.401  -5.666
  251   HD22  LEU  34          HD22      LEU  34 -30.276  -8.037  -6.869
  252   HD23  LEU  34          HD23      LEU  34 -31.128  -6.525  -7.168
  253    H    SER  35           HN       SER  35 -26.999  -5.888  -3.928
  254    HA   SER  35           HA       SER  35 -24.529  -7.250  -4.814
  255    HB2  SER  35           HB2      SER  35 -25.604  -6.409  -2.136
  256    HB3  SER  35           HB1      SER  35 -24.297  -7.582  -2.263
  257    HG   SER  35           HG       SER  35 -24.221  -4.911  -2.507
  258    H    ARG  36           HN       ARG  36 -27.786  -7.907  -4.244
  259    HA   ARG  36           HA       ARG  36 -27.318 -10.769  -4.419
  260    HB2  ARG  36           HB2      ARG  36 -27.280 -10.151  -1.937
  261    HB3  ARG  36           HB1      ARG  36 -28.985  -9.748  -2.126
  262    HG2  ARG  36           HG2      ARG  36 -29.412 -12.041  -2.984
  263    HG3  ARG  36           HG1      ARG  36 -27.718 -12.440  -2.694
  264    HD2  ARG  36           HD2      ARG  36 -29.672 -11.499  -0.578
  265    HD3  ARG  36           HD1      ARG  36 -29.168 -13.170  -0.817
  266    HE   ARG  36           HE       ARG  36 -27.604 -11.035   0.391
  267   HH11  ARG  36          HH21      ARG  36 -27.641 -14.145  -1.130
  268   HH12  ARG  36          HH22      ARG  36 -26.131 -14.651  -0.446
  269   HH21  ARG  36          HH11      ARG  36 -25.625 -11.697   1.294
  270   HH22  ARG  36          HH12      ARG  36 -24.991 -13.264   0.926
  271    H    CYS  37           HN       CYS  37 -29.008 -11.853  -5.320
  272    HA   CYS  37           HA       CYS  37 -31.333 -10.201  -6.147
  273    HB2  CYS  37           HB2      CYS  37 -30.443 -12.733  -7.488
  274    HB3  CYS  37           HB1      CYS  37 -31.396 -11.401  -8.142
  275    HG   CYS  37           HG       CYS  37 -28.308 -11.382  -7.767
  276    H    ASN  38           HN       ASN  38 -32.913 -10.559  -4.782
  277    HA   ASN  38           HA       ASN  38 -33.673 -13.342  -4.130
  278    HB2  ASN  38           HB2      ASN  38 -33.903 -10.809  -2.503
  279    HB3  ASN  38           HB1      ASN  38 -34.763 -12.285  -2.099
  280   HD21  ASN  38          HD21      ASN  38 -33.130 -11.742  -0.100
  281   HD22  ASN  38          HD22      ASN  38 -31.658 -12.599  -0.176
  282    H    SER  39           HN       SER  39 -36.200 -12.453  -3.040
  283    HA   SER  39           HA       SER  39 -38.074 -12.902  -4.729
  284    HB2  SER  39           HB2      SER  39 -39.387 -10.888  -3.825
  285    HB3  SER  39           HB1      SER  39 -38.763 -12.044  -2.673
  286    HG   SER  39           HG       SER  39 -37.863  -9.461  -3.292
  287    H    ILE  40           HN       ILE  40 -39.029 -12.286  -6.508
  288    HA   ILE  40           HA       ILE  40 -38.258  -9.775  -7.870
  289    HB   ILE  40           HB       ILE  40 -37.801 -12.578  -8.864
  290   HG12  ILE  40          HG12      ILE  40 -35.981 -10.264  -9.457
  291   HG13  ILE  40          HG11      ILE  40 -36.059 -10.795  -7.793
  292   HG21  ILE  40          HG21      ILE  40 -37.333 -11.386 -11.133
  293   HG22  ILE  40          HG22      ILE  40 -38.388 -10.124 -10.501
  294   HG23  ILE  40          HG23      ILE  40 -39.004 -11.763 -10.708
  295   HD11  ILE  40          HD11      ILE  40 -34.278 -11.997  -8.821
  296   HD12  ILE  40          HD12      ILE  40 -35.284 -12.433 -10.203
  297   HD13  ILE  40          HD13      ILE  40 -35.599 -13.141  -8.618
  298    H    LYS  41           HN       LYS  41 -39.734  -8.973  -9.250
  299    HA   LYS  41           HA       LYS  41 -42.054 -10.541 -10.075
  300    HB2  LYS  41           HB2      LYS  41 -43.557  -8.612  -9.162
  301    HB3  LYS  41           HB1      LYS  41 -43.043  -9.903  -8.080
  302    HG2  LYS  41           HG2      LYS  41 -41.435  -8.576  -7.035
  303    HG3  LYS  41           HG1      LYS  41 -41.382  -7.418  -8.351
  304    HD2  LYS  41           HD2      LYS  41 -42.613  -6.689  -6.211
  305    HD3  LYS  41           HD1      LYS  41 -43.455  -6.445  -7.736
  306    HE2  LYS  41           HE2      LYS  41 -44.940  -8.213  -7.348
  307    HE3  LYS  41           HE1      LYS  41 -43.867  -9.004  -6.194
  308    HZ1  LYS  41           HZ1      LYS  41 -45.689  -7.952  -5.051
  309    HZ2  LYS  41           HZ2      LYS  41 -45.333  -6.455  -5.778
  310    HZ3  LYS  41           HZ3      LYS  41 -44.247  -7.144  -4.669
  311    H    VAL  42           HN       VAL  42 -41.810 -10.136 -12.217
  312    HA   VAL  42           HA       VAL  42 -40.898  -7.705 -13.245
  313    HB   VAL  42           HB       VAL  42 -42.226 -10.180 -14.301
  314   HG11  VAL  42          HG11      VAL  42 -41.993  -7.552 -15.726
  315   HG12  VAL  42          HG12      VAL  42 -43.265  -8.726 -15.781
  316   HG13  VAL  42          HG13      VAL  42 -41.770  -9.028 -16.631
  317   HG21  VAL  42          HG21      VAL  42 -39.756 -10.023 -13.804
  318   HG22  VAL  42          HG22      VAL  42 -39.638  -8.832 -15.097
  319   HG23  VAL  42          HG23      VAL  42 -40.145 -10.477 -15.462
  320    H    GLU  43           HN       GLU  43 -42.006  -6.093 -14.293
  321    HA   GLU  43           HA       GLU  43 -44.899  -5.887 -13.747
  322    HB2  GLU  43           HB2      GLU  43 -42.746  -3.768 -13.649
  323    HB3  GLU  43           HB1      GLU  43 -44.469  -3.421 -13.581
  324    HG2  GLU  43           HG2      GLU  43 -43.037  -5.263 -11.647
  325    HG3  GLU  43           HG1      GLU  43 -43.381  -3.567 -11.319
  326    H    GLY  44           HN       GLY  44 -44.169  -7.101 -16.046
  327    HA2  GLY  44           HA2      GLY  44 -45.207  -5.309 -18.038
  328    HA3  GLY  44           HA1      GLY  44 -43.491  -5.617 -18.273
  329    H    GLY  45           HN       GLY  45 -42.809  -7.602 -19.041
  330    HA2  GLY  45           HA2      GLY  45 -44.855  -9.673 -19.575
  331    HA3  GLY  45           HA1      GLY  45 -43.866  -9.056 -20.897
  332    H    THR  46           HN       THR  46 -42.688 -10.887 -21.371
  333    HA   THR  46           HA       THR  46 -41.475 -12.471 -19.289
  334    HB   THR  46           HB       THR  46 -41.120 -12.565 -22.291
  335    HG1  THR  46           HG1      THR  46 -43.214 -13.051 -20.987
  336   HG21  THR  46          HG21      THR  46 -40.181 -14.325 -20.030
  337   HG22  THR  46          HG22      THR  46 -39.261 -13.705 -21.402
  338   HG23  THR  46          HG23      THR  46 -40.447 -14.983 -21.642
  339    H    TRP  47           HN       TRP  47 -39.126 -13.006 -19.395
  340    HA   TRP  47           HA       TRP  47 -37.354 -10.917 -20.374
  341    HB2  TRP  47           HB2      TRP  47 -38.106 -11.223 -17.515
  342    HB3  TRP  47           HB1      TRP  47 -36.404 -10.932 -17.848
  343    HD1  TRP  47           HD1      TRP  47 -39.644  -9.239 -17.488
  344    HE1  TRP  47           HE1      TRP  47 -39.389  -6.731 -18.036
  345    HE3  TRP  47           HE3      TRP  47 -35.079  -9.273 -19.763
  346    HZ2  TRP  47           HZ2      TRP  47 -37.560  -5.000 -19.380
  347    HZ3  TRP  47           HZ3      TRP  47 -34.111  -7.182 -20.670
  348    HH2  TRP  47           HH2      TRP  47 -35.347  -5.047 -20.482
  349    H    ALA  48           HN       ALA  48 -35.174 -11.457 -20.220
  350    HA   ALA  48           HA       ALA  48 -34.608 -14.329 -19.778
  351    HB1  ALA  48           HB1      ALA  48 -33.569 -12.349 -21.812
  352    HB2  ALA  48           HB2      ALA  48 -34.294 -13.927 -22.094
  353    HB3  ALA  48           HB3      ALA  48 -32.675 -13.816 -21.413
  354    H    VAL  49           HN       VAL  49 -33.350 -14.633 -18.061
  355    HA   VAL  49           HA       VAL  49 -31.496 -12.465 -17.219
  356    HB   VAL  49           HB       VAL  49 -31.804 -13.466 -14.903
  357   HG11  VAL  49          HG11      VAL  49 -32.890 -11.348 -15.705
  358   HG12  VAL  49          HG12      VAL  49 -33.840 -12.205 -14.493
  359   HG13  VAL  49          HG13      VAL  49 -34.288 -12.306 -16.194
  360   HG21  VAL  49          HG21      VAL  49 -34.264 -14.680 -16.188
  361   HG22  VAL  49          HG22      VAL  49 -33.775 -14.812 -14.498
  362   HG23  VAL  49          HG23      VAL  49 -32.828 -15.600 -15.753
  363    H    TYR  50           HN       TYR  50 -29.420 -12.963 -16.965
  364    HA   TYR  50           HA       TYR  50 -28.609 -15.795 -17.286
  365    HB2  TYR  50           HB2      TYR  50 -27.369 -13.165 -18.058
  366    HB3  TYR  50           HB1      TYR  50 -26.322 -14.549 -17.769
  367    HD1  TYR  50           HD1      TYR  50 -29.532 -13.737 -19.546
  368    HD2  TYR  50           HD2      TYR  50 -25.839 -15.934 -19.588
  369    HE1  TYR  50           HE1      TYR  50 -30.077 -14.615 -21.799
  370    HE2  TYR  50           HE2      TYR  50 -26.383 -16.808 -21.840
  371    HH   TYR  50           HH       TYR  50 -27.895 -16.901 -23.452
  372    H    GLU  51           HN       GLU  51 -28.191 -16.739 -15.420
  373    HA   GLU  51           HA       GLU  51 -27.955 -15.784 -12.923
  374    HB2  GLU  51           HB2      GLU  51 -27.800 -18.183 -13.536
  375    HB3  GLU  51           HB1      GLU  51 -26.133 -17.914 -14.049
  376    HG2  GLU  51           HG2      GLU  51 -25.547 -17.174 -11.757
  377    HG3  GLU  51           HG1      GLU  51 -27.214 -17.457 -11.253
  378    H    ARG  52           HN       ARG  52 -25.439 -15.590 -15.380
  379    HA   ARG  52           HA       ARG  52 -23.725 -14.112 -13.465
  380    HB2  ARG  52           HB2      ARG  52 -22.924 -15.632 -15.950
  381    HB3  ARG  52           HB1      ARG  52 -21.831 -14.792 -14.858
  382    HG2  ARG  52           HG2      ARG  52 -22.607 -16.257 -13.000
  383    HG3  ARG  52           HG1      ARG  52 -23.615 -17.137 -14.149
  384    HD2  ARG  52           HD2      ARG  52 -21.494 -17.545 -15.499
  385    HD3  ARG  52           HD1      ARG  52 -20.600 -16.940 -14.106
  386    HE   ARG  52           HE       ARG  52 -22.484 -19.061 -13.496
  387   HH11  ARG  52          HH21      ARG  52 -19.284 -18.184 -14.468
  388   HH12  ARG  52          HH22      ARG  52 -18.560 -19.654 -13.908
  389   HH21  ARG  52          HH11      ARG  52 -21.546 -20.990 -12.753
  390   HH22  ARG  52          HH12      ARG  52 -19.843 -21.245 -12.934
  391    HA   PRO  53           HA       PRO  53 -24.262 -10.564 -16.095
  392    HB2  PRO  53           HB2      PRO  53 -21.961  -9.180 -15.518
  393    HB3  PRO  53           HB1      PRO  53 -23.310  -9.295 -14.382
  394    HG2  PRO  53           HG2      PRO  53 -20.780 -10.874 -14.459
  395    HG3  PRO  53           HG1      PRO  53 -21.613 -10.155 -13.067
  396    HD2  PRO  53           HD2      PRO  53 -21.821 -12.794 -13.658
  397    HD3  PRO  53           HD1      PRO  53 -23.172 -11.881 -12.940
  398    H    ASN  54           HN       ASN  54 -23.343  -9.477 -17.927
  399    HA   ASN  54           HA       ASN  54 -22.059  -9.255 -19.826
  400    HB2  ASN  54           HB2      ASN  54 -20.410 -11.671 -19.116
  401    HB3  ASN  54           HB1      ASN  54 -19.955 -10.243 -20.034
  402   HD21  ASN  54          HD21      ASN  54 -19.673 -11.678 -16.985
  403   HD22  ASN  54          HD22      ASN  54 -19.247 -10.298 -16.091
  404    H    PHE  55           HN       PHE  55 -23.969 -11.815 -18.892
  405    HA   PHE  55           HA       PHE  55 -25.406 -13.048 -20.208
  406    HB2  PHE  55           HB2      PHE  55 -23.678 -12.649 -22.646
  407    HB3  PHE  55           HB1      PHE  55 -25.396 -13.001 -22.550
  408    HD1  PHE  55           HD2      PHE  55 -26.433 -11.117 -20.641
  409    HD2  PHE  55           HD1      PHE  55 -23.431 -10.504 -23.633
  410    HE1  PHE  55           HE2      PHE  55 -27.013  -8.725 -20.708
  411    HE2  PHE  55           HE1      PHE  55 -24.004  -8.087 -23.697
  412    HZ   PHE  55           HZ       PHE  55 -25.815  -7.202 -22.235
  413    H    ALA  56           HN       ALA  56 -24.046 -14.365 -18.616
  414    HA   ALA  56           HA       ALA  56 -23.148 -16.741 -20.096
  415    HB1  ALA  56           HB1      ALA  56 -21.144 -16.995 -18.708
  416    HB2  ALA  56           HB2      ALA  56 -21.497 -15.470 -17.897
  417    HB3  ALA  56           HB3      ALA  56 -21.080 -15.483 -19.611
  418    H    GLY  57           HN       GLY  57 -22.822 -18.618 -18.503
  419    HA2  GLY  57           HA2      GLY  57 -23.457 -19.828 -16.613
  420    HA3  GLY  57           HA1      GLY  57 -24.281 -18.398 -15.993
  421    H    TYR  58           HN       TYR  58 -26.017 -19.872 -15.452
  422    HA   TYR  58           HA       TYR  58 -27.463 -21.309 -17.444
  423    HB2  TYR  58           HB2      TYR  58 -28.618 -20.293 -14.849
  424    HB3  TYR  58           HB1      TYR  58 -29.036 -21.761 -15.730
  425    HD1  TYR  58           HD2      TYR  58 -26.441 -22.987 -16.335
  426    HD2  TYR  58           HD1      TYR  58 -27.721 -20.941 -12.784
  427    HE1  TYR  58           HE2      TYR  58 -24.779 -24.247 -15.013
  428    HE2  TYR  58           HE1      TYR  58 -26.046 -22.199 -11.461
  429    HH   TYR  58           HH       TYR  58 -24.256 -23.553 -11.574
  430    H    MET  59           HN       MET  59 -29.196 -20.747 -18.648
  431    HA   MET  59           HA       MET  59 -29.913 -17.875 -18.682
  432    HB2  MET  59           HB2      MET  59 -30.507 -19.864 -20.867
  433    HB3  MET  59           HB1      MET  59 -30.389 -18.107 -20.971
  434    HG2  MET  59           HG2      MET  59 -28.353 -18.863 -21.896
  435    HG3  MET  59           HG1      MET  59 -27.923 -18.428 -20.241
  436    HE1  MET  59           HE1      MET  59 -26.035 -20.164 -21.860
  437    HE2  MET  59           HE2      MET  59 -27.325 -20.814 -22.870
  438    HE3  MET  59           HE3      MET  59 -26.315 -21.910 -21.929
  439    H    TYR  60           HN       TYR  60 -31.453 -18.003 -17.002
  440    HA   TYR  60           HA       TYR  60 -33.789 -19.736 -17.411
  441    HB2  TYR  60           HB2      TYR  60 -32.707 -19.389 -15.130
  442    HB3  TYR  60           HB1      TYR  60 -33.353 -17.757 -15.167
  443    HD1  TYR  60           HD2      TYR  60 -35.788 -17.361 -15.109
  444    HD2  TYR  60           HD1      TYR  60 -34.145 -21.324 -14.919
  445    HE1  TYR  60           HE2      TYR  60 -37.978 -18.240 -14.338
  446    HE2  TYR  60           HE1      TYR  60 -36.336 -22.196 -14.148
  447    HH   TYR  60           HH       TYR  60 -38.967 -21.128 -14.539
  448    H    ILE  61           HN       ILE  61 -35.726 -18.986 -18.085
  449    HA   ILE  61           HA       ILE  61 -35.868 -16.150 -18.928
  450    HB   ILE  61           HB       ILE  61 -37.443 -18.600 -19.761
  451   HG12  ILE  61          HG12      ILE  61 -36.386 -18.063 -21.984
  452   HG13  ILE  61          HG11      ILE  61 -35.420 -16.837 -21.168
  453   HG21  ILE  61          HG21      ILE  61 -38.348 -16.946 -21.504
  454   HG22  ILE  61          HG22      ILE  61 -37.770 -15.679 -20.423
  455   HG23  ILE  61          HG23      ILE  61 -38.992 -16.824 -19.869
  456   HD11  ILE  61          HD11      ILE  61 -34.078 -18.384 -20.126
  457   HD12  ILE  61          HD12      ILE  61 -34.537 -19.355 -21.524
  458   HD13  ILE  61          HD13      ILE  61 -35.363 -19.583 -19.987
  459    H    LEU  62           HN       LEU  62 -36.496 -15.200 -16.945
  460    HA   LEU  62           HA       LEU  62 -38.598 -16.273 -15.345
  461    HB2  LEU  62           HB2      LEU  62 -36.708 -14.086 -15.224
  462    HB3  LEU  62           HB1      LEU  62 -38.302 -13.486 -14.797
  463    HG   LEU  62           HG       LEU  62 -37.108 -15.995 -13.553
  464   HD11  LEU  62          HD11      LEU  62 -36.747 -14.386 -11.566
  465   HD12  LEU  62          HD12      LEU  62 -36.882 -13.091 -12.754
  466   HD13  LEU  62          HD13      LEU  62 -35.596 -14.291 -12.900
  467   HD21  LEU  62          HD21      LEU  62 -38.798 -15.190 -11.714
  468   HD22  LEU  62          HD22      LEU  62 -39.428 -15.994 -13.149
  469   HD23  LEU  62          HD23      LEU  62 -39.511 -14.239 -13.016
  470    HA   PRO  63           HA       PRO  63 -41.674 -14.460 -18.165
  471    HB2  PRO  63           HB2      PRO  63 -43.806 -15.970 -17.499
  472    HB3  PRO  63           HB1      PRO  63 -42.462 -16.611 -18.463
  473    HG2  PRO  63           HG2      PRO  63 -43.082 -17.020 -15.576
  474    HG3  PRO  63           HG1      PRO  63 -42.411 -18.158 -16.756
  475    HD2  PRO  63           HD2      PRO  63 -40.913 -16.699 -14.882
  476    HD3  PRO  63           HD1      PRO  63 -40.268 -17.504 -16.313
  477    H    GLN  64           HN       GLN  64 -43.711 -13.261 -17.933
  478    HA   GLN  64           HA       GLN  64 -43.747 -11.419 -15.862
  479    HB2  GLN  64           HB2      GLN  64 -45.045 -11.535 -18.162
  480    HB3  GLN  64           HB1      GLN  64 -46.331 -12.224 -17.174
  481    HG2  GLN  64           HG2      GLN  64 -45.024  -9.518 -16.876
  482    HG3  GLN  64           HG1      GLN  64 -46.708  -9.857 -17.237
  483   HE21  GLN  64          HE21      GLN  64 -44.600  -9.117 -14.675
  484   HE22  GLN  64          HE22      GLN  64 -45.601  -9.603 -13.397
  485    H    GLY  65           HN       GLY  65 -44.020 -11.788 -13.741
  486    HA2  GLY  65           HA2      GLY  65 -46.340 -12.787 -12.585
  487    HA3  GLY  65           HA1      GLY  65 -45.222 -14.141 -12.684
  488    H    GLU  66           HN       GLU  66 -45.877 -13.577 -10.209
  489    HA   GLU  66           HA       GLU  66 -43.906 -11.710  -9.089
  490    HB2  GLU  66           HB2      GLU  66 -46.291 -13.105  -7.872
  491    HB3  GLU  66           HB1      GLU  66 -45.165 -12.085  -6.974
  492    HG2  GLU  66           HG2      GLU  66 -45.677 -10.181  -8.413
  493    HG3  GLU  66           HG1      GLU  66 -46.730 -11.188  -9.405
  494    H    TYR  67           HN       TYR  67 -42.540 -12.357  -7.397
  495    HA   TYR  67           HA       TYR  67 -42.205 -15.203  -6.868
  496    HB2  TYR  67           HB2      TYR  67 -39.881 -13.566  -7.926
  497    HB3  TYR  67           HB1      TYR  67 -39.850 -15.226  -7.438
  498    HD1  TYR  67           HD1      TYR  67 -41.559 -12.955  -9.899
  499    HD2  TYR  67           HD2      TYR  67 -40.324 -16.956  -8.975
  500    HE1  TYR  67           HE1      TYR  67 -42.281 -13.685 -12.128
  501    HE2  TYR  67           HE2      TYR  67 -41.061 -17.693 -11.214
  502    HH   TYR  67           HH       TYR  67 -43.094 -15.969 -13.117
  503    HA   PRO  68           HA       PRO  68 -41.889 -12.422  -3.166
  504    HB2  PRO  68           HB2      PRO  68 -42.773 -14.961  -1.870
  505    HB3  PRO  68           HB1      PRO  68 -43.397 -13.313  -1.666
  506    HG2  PRO  68           HG2      PRO  68 -44.750 -15.160  -3.055
  507    HG3  PRO  68           HG1      PRO  68 -44.752 -13.452  -3.535
  508    HD2  PRO  68           HD2      PRO  68 -43.255 -15.753  -4.749
  509    HD3  PRO  68           HD1      PRO  68 -43.985 -14.339  -5.547
  510    H    GLU  69           HN       GLU  69 -40.326 -15.307  -4.143
  511    HA   GLU  69           HA       GLU  69 -38.095 -14.713  -2.379
  512    HB2  GLU  69           HB2      GLU  69 -39.569 -17.357  -2.294
  513    HB3  GLU  69           HB1      GLU  69 -37.949 -17.121  -1.650
  514    HG2  GLU  69           HG2      GLU  69 -38.850 -15.306  -0.192
  515    HG3  GLU  69           HG1      GLU  69 -40.467 -15.683  -0.776
  516    H    TYR  70           HN       TYR  70 -36.164 -15.982  -3.003
  517    HA   TYR  70           HA       TYR  70 -35.833 -16.002  -5.808
  518    HB2  TYR  70           HB2      TYR  70 -33.634 -17.025  -5.321
  519    HB3  TYR  70           HB1      TYR  70 -33.957 -15.614  -4.321
  520    HD1  TYR  70           HD2      TYR  70 -34.714 -15.900  -1.952
  521    HD2  TYR  70           HD1      TYR  70 -33.395 -19.201  -4.363
  522    HE1  TYR  70           HE2      TYR  70 -34.438 -17.277   0.090
  523    HE2  TYR  70           HE1      TYR  70 -33.119 -20.581  -2.322
  524    HH   TYR  70           HH       TYR  70 -34.474 -20.107   0.412
  525    H    GLN  71           HN       GLN  71 -35.885 -18.705  -3.508
  526    HA   GLN  71           HA       GLN  71 -35.617 -20.878  -5.156
  527    HB2  GLN  71           HB2      GLN  71 -37.255 -22.050  -3.549
  528    HB3  GLN  71           HB1      GLN  71 -35.774 -21.357  -2.880
  529    HG2  GLN  71           HG2      GLN  71 -36.985 -19.346  -2.205
  530    HG3  GLN  71           HG1      GLN  71 -38.467 -19.973  -2.929
  531   HE21  GLN  71          HE21      GLN  71 -37.672 -22.785  -1.971
  532   HE22  GLN  71          HE22      GLN  71 -38.070 -22.780  -0.316
  533    H    ARG  72           HN       ARG  72 -38.026 -18.604  -5.473
  534    HA   ARG  72           HA       ARG  72 -40.136 -20.289  -6.427
  535    HB2  ARG  72           HB2      ARG  72 -39.601 -17.350  -6.831
  536    HB3  ARG  72           HB1      ARG  72 -41.132 -18.152  -7.146
  537    HG2  ARG  72           HG2      ARG  72 -39.814 -18.199  -4.430
  538    HG3  ARG  72           HG1      ARG  72 -40.902 -16.900  -4.910
  539    HD2  ARG  72           HD2      ARG  72 -42.633 -18.659  -5.436
  540    HD3  ARG  72           HD1      ARG  72 -41.549 -19.848  -4.724
  541    HE   ARG  72           HE       ARG  72 -42.212 -17.568  -3.031
  542   HH11  ARG  72          HH21      ARG  72 -42.844 -20.827  -4.013
  543   HH12  ARG  72          HH22      ARG  72 -43.674 -21.252  -2.555
  544   HH21  ARG  72          HH11      ARG  72 -43.308 -18.119  -1.114
  545   HH22  ARG  72          HH12      ARG  72 -43.939 -19.720  -0.916
  546    H    TRP  73           HN       TRP  73 -37.135 -19.520  -7.701
  547    HA   TRP  73           HA       TRP  73 -38.100 -19.821 -10.512
  548    HB2  TRP  73           HB2      TRP  73 -36.010 -18.664 -11.195
  549    HB3  TRP  73           HB1      TRP  73 -37.067 -17.649 -10.222
  550    HD1  TRP  73           HD1      TRP  73 -35.285 -20.106  -8.080
  551    HE1  TRP  73           HE1      TRP  73 -33.384 -18.994  -6.821
  552    HE3  TRP  73           HE3      TRP  73 -35.070 -15.719 -10.626
  553    HZ2  TRP  73           HZ2      TRP  73 -31.943 -16.550  -6.874
  554    HZ3  TRP  73           HZ3      TRP  73 -33.404 -14.007 -10.002
  555    HH2  TRP  73           HH2      TRP  73 -31.835 -14.419  -8.131
  556    H    MET  74           HN       MET  74 -37.402 -21.857  -8.428
  557    HA   MET  74           HA       MET  74 -36.591 -24.003  -8.563
  558    HB2  MET  74           HB2      MET  74 -34.904 -23.122 -10.921
  559    HB3  MET  74           HB1      MET  74 -35.100 -24.752 -10.338
  560    HG2  MET  74           HG2      MET  74 -37.429 -23.051 -11.230
  561    HG3  MET  74           HG1      MET  74 -36.559 -24.140 -12.312
  562    HE1  MET  74           HE1      MET  74 -39.918 -25.938 -11.620
  563    HE2  MET  74           HE2      MET  74 -38.800 -25.339 -12.842
  564    HE3  MET  74           HE3      MET  74 -39.601 -24.204 -11.759
  565    H    GLY  75           HN       GLY  75 -35.482 -21.634  -7.163
  566    HA2  GLY  75           HA2      GLY  75 -33.520 -20.951  -6.041
  567    HA3  GLY  75           HA1      GLY  75 -33.651 -22.619  -5.482
  568    H    LEU  76           HN       LEU  76 -32.682 -21.148  -8.598
  569    HA   LEU  76           HA       LEU  76 -30.555 -23.025  -8.970
  570    HB2  LEU  76           HB2      LEU  76 -31.046 -20.428 -10.430
  571    HB3  LEU  76           HB1      LEU  76 -30.160 -21.838 -11.023
  572    HG   LEU  76           HG       LEU  76 -33.100 -21.845 -10.306
  573   HD11  LEU  76          HD11      LEU  76 -32.792 -20.423 -12.233
  574   HD12  LEU  76          HD12      LEU  76 -33.390 -21.979 -12.810
  575   HD13  LEU  76          HD13      LEU  76 -31.679 -21.580 -12.966
  576   HD21  LEU  76          HD21      LEU  76 -31.204 -23.856 -11.541
  577   HD22  LEU  76          HD22      LEU  76 -32.944 -23.980 -11.775
  578   HD23  LEU  76          HD23      LEU  76 -32.263 -24.079 -10.154
  579    H    ASN  77           HN       ASN  77 -30.664 -20.842  -6.726
  580    HA   ASN  77           HA       ASN  77 -28.697 -20.282  -5.469
  581    HB2  ASN  77           HB2      ASN  77 -27.122 -20.934  -7.315
  582    HB3  ASN  77           HB1      ASN  77 -27.487 -19.388  -8.100
  583   HD21  ASN  77          HD21      ASN  77 -25.472 -18.376  -7.846
  584   HD22  ASN  77          HD22      ASN  77 -24.774 -18.043  -6.329
  585    H    ASP  78           HN       ASP  78 -27.871 -18.043  -4.995
  586    HA   ASP  78           HA       ASP  78 -29.985 -16.086  -5.628
  587    HB2  ASP  78           HB2      ASP  78 -29.097 -14.831  -3.715
  588    HB3  ASP  78           HB1      ASP  78 -29.520 -16.473  -3.247
  589    H    ARG  79           HN       ARG  79 -28.717 -16.161  -7.819
  590    HA   ARG  79           HA       ARG  79 -26.957 -13.802  -7.816
  591    HB2  ARG  79           HB2      ARG  79 -25.583 -15.958  -7.838
  592    HB3  ARG  79           HB1      ARG  79 -26.268 -16.258  -9.433
  593    HG2  ARG  79           HG2      ARG  79 -25.394 -14.103 -10.227
  594    HG3  ARG  79           HG1      ARG  79 -24.733 -13.773  -8.630
  595    HD2  ARG  79           HD2      ARG  79 -23.300 -15.771  -8.804
  596    HD3  ARG  79           HD1      ARG  79 -23.962 -16.108 -10.400
  597    HE   ARG  79           HE       ARG  79 -22.684 -14.344 -11.271
  598   HH11  ARG  79          HH21      ARG  79 -22.607 -14.432  -7.811
  599   HH12  ARG  79          HH22      ARG  79 -21.301 -13.303  -7.674
  600   HH21  ARG  79          HH11      ARG  79 -20.971 -12.861 -11.096
  601   HH22  ARG  79          HH12      ARG  79 -20.375 -12.413  -9.533
  602    H    LEU  80           HN       LEU  80 -27.837 -12.377  -9.193
  603    HA   LEU  80           HA       LEU  80 -28.878 -13.344 -11.765
  604    HB2  LEU  80           HB2      LEU  80 -30.685 -13.011  -9.811
  605    HB3  LEU  80           HB1      LEU  80 -30.533 -11.321 -10.287
  606    HG   LEU  80           HG       LEU  80 -32.351 -12.330 -11.521
  607   HD11  LEU  80          HD11      LEU  80 -30.580 -10.750 -12.616
  608   HD12  LEU  80          HD12      LEU  80 -31.776 -11.538 -13.632
  609   HD13  LEU  80          HD13      LEU  80 -30.136 -12.181 -13.543
  610   HD21  LEU  80          HD21      LEU  80 -30.605 -14.219 -13.041
  611   HD22  LEU  80          HD22      LEU  80 -32.289 -14.381 -12.556
  612   HD23  LEU  80          HD23      LEU  80 -31.010 -14.695 -11.391
  613    H    SER  81           HN       SER  81 -28.235 -12.114 -13.366
  614    HA   SER  81           HA       SER  81 -27.075  -9.452 -12.743
  615    HB2  SER  81           HB2      SER  81 -25.469  -9.821 -14.318
  616    HB3  SER  81           HB1      SER  81 -25.743 -11.475 -13.802
  617    HG   SER  81           HG       SER  81 -26.394 -10.192 -16.172
  618    H    SER  82           HN       SER  82 -26.887  -8.510 -15.380
  619    HA   SER  82           HA       SER  82 -29.185  -7.091 -15.742
  620    HB2  SER  82           HB2      SER  82 -28.501  -6.975 -18.191
  621    HB3  SER  82           HB1      SER  82 -27.266  -6.504 -17.026
  622    HG   SER  82           HG       SER  82 -26.098  -8.058 -17.799
  623    H    CYS  83           HN       CYS  83 -30.499  -7.312 -17.970
  624    HA   CYS  83           HA       CYS  83 -31.387 -10.072 -18.381
  625    HB2  CYS  83           HB2      CYS  83 -33.680  -9.610 -17.851
  626    HB3  CYS  83           HB1      CYS  83 -32.709  -9.099 -16.466
  627    HG   CYS  83           HG       CYS  83 -34.526  -7.243 -17.503
  628    H    ARG  84           HN       ARG  84 -32.453 -10.381 -20.376
  629    HA   ARG  84           HA       ARG  84 -32.364  -8.059 -22.217
  630    HB2  ARG  84           HB2      ARG  84 -32.512 -10.865 -23.271
  631    HB3  ARG  84           HB1      ARG  84 -31.625  -9.478 -23.894
  632    HG2  ARG  84           HG2      ARG  84 -30.893 -11.076 -21.434
  633    HG3  ARG  84           HG1      ARG  84 -30.126 -11.221 -23.006
  634    HD2  ARG  84           HD2      ARG  84 -28.756  -9.453 -22.566
  635    HD3  ARG  84           HD1      ARG  84 -30.122  -8.421 -22.185
  636    HE   ARG  84           HE       ARG  84 -29.383  -8.618 -20.013
  637   HH11  ARG  84          HH21      ARG  84 -28.976 -11.628 -21.676
  638   HH12  ARG  84          HH22      ARG  84 -28.349 -12.457 -20.294
  639   HH21  ARG  84          HH11      ARG  84 -28.548  -9.712 -18.204
  640   HH22  ARG  84          HH12      ARG  84 -28.120 -11.382 -18.329
  641    H    ALA  85           HN       ALA  85 -34.289  -7.328 -22.906
  642    HA   ALA  85           HA       ALA  85 -36.748  -8.445 -22.094
  643    HB1  ALA  85           HB1      ALA  85 -36.219  -6.570 -24.414
  644    HB2  ALA  85           HB2      ALA  85 -36.455  -6.069 -22.739
  645    HB3  ALA  85           HB3      ALA  85 -37.773  -6.835 -23.624
  646    H    VAL  86           HN       VAL  86 -37.808 -10.180 -22.825
  647    HA   VAL  86           HA       VAL  86 -37.310 -11.057 -25.636
  648    HB   VAL  86           HB       VAL  86 -37.654 -12.731 -23.137
  649   HG11  VAL  86          HG11      VAL  86 -37.331 -14.637 -24.820
  650   HG12  VAL  86          HG12      VAL  86 -37.714 -13.455 -26.068
  651   HG13  VAL  86          HG13      VAL  86 -38.909 -13.851 -24.835
  652   HG21  VAL  86          HG21      VAL  86 -35.444 -13.688 -24.100
  653   HG22  VAL  86          HG22      VAL  86 -35.373 -12.101 -23.341
  654   HG23  VAL  86          HG23      VAL  86 -35.400 -12.235 -25.096
  655    H    HIS  87           HN       HIS  87 -39.049 -11.280 -26.880
  656    HA   HIS  87           HA       HIS  87 -41.713 -10.957 -25.653
  657    HB2  HIS  87           HB2      HIS  87 -40.883 -10.808 -28.561
  658    HB3  HIS  87           HB1      HIS  87 -42.473 -10.411 -27.905
  659    HD2  HIS  87           HD2      HIS  87 -42.192  -8.231 -25.801
  660    HE1  HIS  87           HE1      HIS  87 -38.949  -6.520 -27.894
  661    HE2  HIS  87           HE2      HIS  87 -40.678  -6.120 -26.078
  662    H    LEU  88           HN       LEU  88 -43.497 -12.251 -26.545
  663    HA   LEU  88           HA       LEU  88 -42.767 -15.040 -26.534
  664    HB2  LEU  88           HB2      LEU  88 -45.569 -14.133 -27.112
  665    HB3  LEU  88           HB1      LEU  88 -45.005 -15.470 -26.116
  666    HG   LEU  88           HG       LEU  88 -44.810 -12.523 -25.420
  667   HD11  LEU  88          HD11      LEU  88 -46.446 -14.779 -24.240
  668   HD12  LEU  88          HD12      LEU  88 -47.075 -13.474 -25.246
  669   HD13  LEU  88          HD13      LEU  88 -46.409 -13.117 -23.654
  670   HD21  LEU  88          HD21      LEU  88 -44.018 -13.407 -23.205
  671   HD22  LEU  88          HD22      LEU  88 -42.884 -13.728 -24.510
  672   HD23  LEU  88          HD23      LEU  88 -43.932 -15.015 -23.920
  673    HA   PRO  89           HA       PRO  89 -42.707 -15.602 -30.946
  674    HB2  PRO  89           HB2      PRO  89 -43.337 -18.250 -31.159
  675    HB3  PRO  89           HB1      PRO  89 -41.770 -17.685 -30.538
  676    HG2  PRO  89           HG2      PRO  89 -44.182 -18.611 -29.024
  677    HG3  PRO  89           HG1      PRO  89 -42.468 -18.986 -28.750
  678    HD2  PRO  89           HD2      PRO  89 -43.788 -17.098 -27.285
  679    HD3  PRO  89           HD1      PRO  89 -42.055 -16.974 -27.658
  680    H    SER  90           HN       SER  90 -44.040 -15.896 -32.765
  681    HA   SER  90           HA       SER  90 -46.746 -16.710 -32.638
  682    HB2  SER  90           HB2      SER  90 -46.169 -13.772 -32.432
  683    HB3  SER  90           HB1      SER  90 -47.671 -14.358 -33.140
  684    HG   SER  90           HG       SER  90 -48.199 -15.293 -31.220
  685    H    GLY  91           HN       GLY  91 -44.015 -15.523 -34.256
  686    HA2  GLY  91           HA2      GLY  91 -45.097 -14.846 -36.755
  687    HA3  GLY  91           HA1      GLY  91 -43.444 -15.393 -36.476
  688    H    GLY  92           HN       GLY  92 -44.268 -17.941 -35.311
  689    HA2  GLY  92           HA2      GLY  92 -45.559 -19.317 -37.594
  690    HA3  GLY  92           HA1      GLY  92 -43.970 -19.847 -37.046
  691    H    GLN  93           HN       GLN  93 -47.044 -18.942 -35.463
  692    HA   GLN  93           HA       GLN  93 -47.990 -19.846 -33.538
  693    HB2  GLN  93           HB2      GLN  93 -48.647 -22.333 -34.068
  694    HB3  GLN  93           HB1      GLN  93 -49.305 -21.030 -35.059
  695    HG2  GLN  93           HG2      GLN  93 -47.619 -21.414 -36.768
  696    HG3  GLN  93           HG1      GLN  93 -46.824 -22.620 -35.769
  697   HE21  GLN  93          HE21      GLN  93 -48.246 -24.575 -35.173
  698   HE22  GLN  93          HE22      GLN  93 -49.345 -25.111 -36.362
  699    H    TYR  94           HN       TYR  94 -46.889 -23.046 -34.041
  700    HA   TYR  94           HA       TYR  94 -44.570 -22.845 -32.332
  701    HB2  TYR  94           HB2      TYR  94 -46.586 -22.745 -30.799
  702    HB3  TYR  94           HB1      TYR  94 -46.936 -24.394 -31.306
  703    HD1  TYR  94           HD1      TYR  94 -44.294 -22.242 -29.812
  704    HD2  TYR  94           HD2      TYR  94 -45.789 -26.224 -30.345
  705    HE1  TYR  94           HE1      TYR  94 -42.630 -23.085 -28.181
  706    HE2  TYR  94           HE2      TYR  94 -44.126 -27.074 -28.716
  707    HH   TYR  94           HH       TYR  94 -41.862 -24.850 -27.091
  708    H    LYS  95           HN       LYS  95 -43.220 -24.145 -33.424
  709    HA   LYS  95           HA       LYS  95 -44.013 -26.911 -33.910
  710    HB2  LYS  95           HB2      LYS  95 -44.757 -25.633 -35.933
  711    HB3  LYS  95           HB1      LYS  95 -43.078 -25.184 -36.203
  712    HG2  LYS  95           HG2      LYS  95 -43.584 -27.117 -37.576
  713    HG3  LYS  95           HG1      LYS  95 -42.492 -27.613 -36.285
  714    HD2  LYS  95           HD2      LYS  95 -44.103 -28.857 -35.178
  715    HD3  LYS  95           HD1      LYS  95 -45.439 -27.854 -35.756
  716    HE2  LYS  95           HE2      LYS  95 -45.361 -28.852 -37.927
  717    HE3  LYS  95           HE1      LYS  95 -43.839 -29.656 -37.578
  718    HZ1  LYS  95           HZ1      LYS  95 -46.440 -30.188 -36.243
  719    HZ2  LYS  95           HZ2      LYS  95 -44.976 -30.968 -35.878
  720    HZ3  LYS  95           HZ3      LYS  95 -45.702 -31.182 -37.400
  721    H    ILE  96           HN       ILE  96 -42.373 -28.270 -33.699
  722    HA   ILE  96           HA       ILE  96 -39.605 -27.258 -33.883
  723    HB   ILE  96           HB       ILE  96 -39.887 -27.216 -31.565
  724   HG12  ILE  96          HG12      ILE  96 -39.069 -30.109 -31.895
  725   HG13  ILE  96          HG11      ILE  96 -38.019 -28.797 -32.421
  726   HG21  ILE  96          HG21      ILE  96 -41.414 -29.829 -31.776
  727   HG22  ILE  96          HG22      ILE  96 -42.151 -28.244 -31.546
  728   HG23  ILE  96          HG23      ILE  96 -41.116 -28.924 -30.294
  729   HD11  ILE  96          HD11      ILE  96 -38.172 -27.838 -30.100
  730   HD12  ILE  96          HD12      ILE  96 -37.383 -29.412 -30.173
  731   HD13  ILE  96          HD13      ILE  96 -39.052 -29.289 -29.618
  732    H    GLN  97           HN       GLN  97 -38.110 -28.670 -34.547
  733    HA   GLN  97           HA       GLN  97 -38.970 -31.405 -35.273
  734    HB2  GLN  97           HB2      GLN  97 -37.613 -29.291 -36.905
  735    HB3  GLN  97           HB1      GLN  97 -37.024 -30.941 -37.103
  736    HG2  GLN  97           HG2      GLN  97 -39.367 -31.681 -37.540
  737    HG3  GLN  97           HG1      GLN  97 -39.885 -29.999 -37.453
  738   HE21  GLN  97          HE21      GLN  97 -36.822 -29.905 -38.743
  739   HE22  GLN  97          HE22      GLN  97 -37.219 -29.956 -40.399
  740    H    ILE  98           HN       ILE  98 -37.728 -32.944 -34.461
  741    HA   ILE  98           HA       ILE  98 -35.138 -32.178 -33.215
  742    HB   ILE  98           HB       ILE  98 -36.862 -34.496 -32.330
  743   HG12  ILE  98          HG12      ILE  98 -37.024 -31.638 -31.326
  744   HG13  ILE  98          HG11      ILE  98 -38.274 -32.451 -32.279
  745   HG21  ILE  98          HG21      ILE  98 -34.532 -34.361 -31.544
  746   HG22  ILE  98          HG22      ILE  98 -35.656 -34.105 -30.210
  747   HG23  ILE  98          HG23      ILE  98 -34.835 -32.731 -30.945
  748   HD11  ILE  98          HD11      ILE  98 -37.432 -32.969 -29.444
  749   HD12  ILE  98          HD12      ILE  98 -38.168 -34.265 -30.388
  750   HD13  ILE  98          HD13      ILE  98 -39.053 -32.766 -30.100
  751    H    PHE  99           HN       PHE  99 -33.383 -33.302 -33.843
  752    HA   PHE  99           HA       PHE  99 -33.827 -35.710 -35.546
  753    HB2  PHE  99           HB2      PHE  99 -31.762 -33.517 -35.676
  754    HB3  PHE  99           HB1      PHE  99 -31.475 -35.087 -36.425
  755    HD1  PHE  99           HD1      PHE  99 -33.759 -32.147 -36.380
  756    HD2  PHE  99           HD2      PHE  99 -32.563 -35.711 -38.461
  757    HE1  PHE  99           HE1      PHE  99 -35.126 -31.470 -38.332
  758    HE2  PHE  99           HE2      PHE  99 -33.933 -35.031 -40.413
  759    HZ   PHE  99           HZ       PHE  99 -35.217 -32.908 -40.348
  760    H    GLU 100           HN       GLU 100 -32.944 -37.561 -34.964
  761    HA   GLU 100           HA       GLU 100 -31.889 -37.958 -32.394
  762    HB2  GLU 100           HB2      GLU 100 -33.007 -39.733 -33.678
  763    HB3  GLU 100           HB1      GLU 100 -31.656 -39.753 -34.819
  764    HG2  GLU 100           HG2      GLU 100 -30.117 -40.415 -33.035
  765    HG3  GLU 100           HG1      GLU 100 -31.412 -40.290 -31.844
  766    H    LYS 101           HN       LYS 101 -30.338 -37.291 -35.453
  767    HA   LYS 101           HA       LYS 101 -27.675 -37.435 -34.139
  768    HB2  LYS 101           HB2      LYS 101 -28.327 -37.769 -37.069
  769    HB3  LYS 101           HB1      LYS 101 -26.759 -38.006 -36.298
  770    HG2  LYS 101           HG2      LYS 101 -27.625 -39.875 -35.013
  771    HG3  LYS 101           HG1      LYS 101 -29.247 -39.604 -35.642
  772    HD2  LYS 101           HD2      LYS 101 -28.432 -40.043 -37.930
  773    HD3  LYS 101           HD1      LYS 101 -26.814 -40.355 -37.287
  774    HE2  LYS 101           HE2      LYS 101 -27.714 -42.210 -35.930
  775    HE3  LYS 101           HE1      LYS 101 -29.325 -41.894 -36.575
  776    HZ1  LYS 101           HZ1      LYS 101 -28.211 -43.687 -37.764
  777    HZ2  LYS 101           HZ2      LYS 101 -26.944 -42.636 -38.187
  778    HZ3  LYS 101           HZ3      LYS 101 -28.512 -42.366 -38.788
  779    H    GLY 102           HN       GLY 102 -26.184 -35.767 -34.648
  780    HA2  GLY 102           HA2      GLY 102 -27.307 -33.198 -34.973
  781    HA3  GLY 102           HA1      GLY 102 -25.592 -33.568 -35.031
  782    H    ASP 103           HN       ASP 103 -26.010 -31.722 -36.715
  783    HA   ASP 103           HA       ASP 103 -26.090 -31.038 -38.901
  784    HB2  ASP 103           HB2      ASP 103 -24.137 -32.680 -38.857
  785    HB3  ASP 103           HB1      ASP 103 -25.242 -33.852 -39.574
  786    H    PHE 104           HN       PHE 104 -28.499 -32.263 -37.757
  787    HA   PHE 104           HA       PHE 104 -30.590 -32.926 -38.406
  788    HB2  PHE 104           HB2      PHE 104 -29.892 -32.153 -41.233
  789    HB3  PHE 104           HB1      PHE 104 -31.420 -31.973 -40.367
  790    HD1  PHE 104           HD2      PHE 104 -31.195 -30.562 -38.102
  791    HD2  PHE 104           HD1      PHE 104 -28.607 -30.222 -41.507
  792    HE1  PHE 104           HE2      PHE 104 -30.517 -28.295 -37.361
  793    HE2  PHE 104           HE1      PHE 104 -27.930 -27.959 -40.772
  794    HZ   PHE 104           HZ       PHE 104 -28.876 -26.997 -38.699
  795    H    SER 105           HN       SER 105 -30.015 -35.183 -38.034
  796    HA   SER 105           HA       SER 105 -30.432 -36.764 -40.406
  797    HB2  SER 105           HB2      SER 105 -27.762 -36.690 -39.039
  798    HB3  SER 105           HB1      SER 105 -28.325 -38.200 -39.749
  799    HG   SER 105           HG       SER 105 -28.110 -35.679 -41.049
  800    H    GLY 106           HN       GLY 106 -30.720 -39.035 -39.886
  801    HA2  GLY 106           HA2      GLY 106 -31.215 -40.834 -38.460
  802    HA3  GLY 106           HA1      GLY 106 -31.083 -39.755 -37.081
  803    H    GLN 107           HN       GLN 107 -33.018 -40.419 -36.179
  804    HA   GLN 107           HA       GLN 107 -35.491 -40.337 -37.662
  805    HB2  GLN 107           HB2      GLN 107 -35.322 -41.934 -35.870
  806    HB3  GLN 107           HB1      GLN 107 -34.884 -40.680 -34.714
  807    HG2  GLN 107           HG2      GLN 107 -37.271 -41.368 -34.516
  808    HG3  GLN 107           HG1      GLN 107 -37.106 -39.665 -34.931
  809   HE21  GLN 107          HE21      GLN 107 -38.972 -39.351 -36.193
  810   HE22  GLN 107          HE22      GLN 107 -39.317 -40.220 -37.611
  811    H    MET 108           HN       MET 108 -37.005 -38.740 -37.738
  812    HA   MET 108           HA       MET 108 -36.453 -36.282 -36.227
  813    HB2  MET 108           HB2      MET 108 -35.894 -35.886 -38.538
  814    HB3  MET 108           HB1      MET 108 -37.458 -36.522 -39.052
  815    HG2  MET 108           HG2      MET 108 -37.430 -34.284 -37.050
  816    HG3  MET 108           HG1      MET 108 -37.100 -33.901 -38.737
  817    HE1  MET 108           HE1      MET 108 -38.431 -34.651 -40.645
  818    HE2  MET 108           HE2      MET 108 -39.125 -33.096 -40.191
  819    HE3  MET 108           HE3      MET 108 -40.187 -34.425 -40.653
  820    H    TYR 109           HN       TYR 109 -38.067 -35.409 -35.090
  821    HA   TYR 109           HA       TYR 109 -40.790 -36.478 -35.535
  822    HB2  TYR 109           HB2      TYR 109 -39.338 -35.934 -32.949
  823    HB3  TYR 109           HB1      TYR 109 -41.084 -36.112 -33.062
  824    HD1  TYR 109           HD2      TYR 109 -41.889 -38.243 -34.466
  825    HD2  TYR 109           HD1      TYR 109 -38.079 -37.869 -32.513
  826    HE1  TYR 109           HE2      TYR 109 -41.658 -40.711 -34.443
  827    HE2  TYR 109           HE1      TYR 109 -37.851 -40.338 -32.490
  828    HH   TYR 109           HH       TYR 109 -39.911 -42.376 -32.602
  829    H    GLU 110           HN       GLU 110 -42.388 -35.060 -35.593
  830    HA   GLU 110           HA       GLU 110 -41.797 -32.206 -35.055
  831    HB2  GLU 110           HB2      GLU 110 -43.538 -31.812 -36.903
  832    HB3  GLU 110           HB1      GLU 110 -41.937 -32.334 -37.403
  833    HG2  GLU 110           HG2      GLU 110 -42.730 -34.650 -37.574
  834    HG3  GLU 110           HG1      GLU 110 -44.330 -34.154 -37.022
  835    H    THR 111           HN       THR 111 -43.051 -31.358 -33.518
  836    HA   THR 111           HA       THR 111 -45.855 -32.136 -33.276
  837    HB   THR 111           HB       THR 111 -44.430 -33.724 -31.862
  838    HG1  THR 111           HG1      THR 111 -46.704 -33.134 -31.555
  839   HG21  THR 111          HG21      THR 111 -44.264 -31.363 -29.988
  840   HG22  THR 111          HG22      THR 111 -42.942 -31.773 -31.080
  841   HG23  THR 111          HG23      THR 111 -43.456 -32.923 -29.846
  842    H    THR 112           HN       THR 112 -47.023 -30.352 -32.936
  843    HA   THR 112           HA       THR 112 -45.660 -27.885 -32.112
  844    HB   THR 112           HB       THR 112 -47.007 -27.614 -34.031
  845    HG1  THR 112           HG1      THR 112 -48.885 -26.393 -32.944
  846   HG21  THR 112          HG21      THR 112 -49.097 -29.107 -32.456
  847   HG22  THR 112          HG22      THR 112 -48.410 -29.519 -34.028
  848   HG23  THR 112          HG23      THR 112 -49.507 -28.145 -33.877
  849    H    GLU 113           HN       GLU 113 -45.840 -29.669 -30.042
  850    HA   GLU 113           HA       GLU 113 -47.602 -28.205 -28.184
  851    HB2  GLU 113           HB2      GLU 113 -48.130 -30.494 -27.101
  852    HB3  GLU 113           HB1      GLU 113 -49.007 -30.054 -28.573
  853    HG2  GLU 113           HG2      GLU 113 -47.473 -31.368 -29.929
  854    HG3  GLU 113           HG1      GLU 113 -46.496 -31.748 -28.513
  855    H    ASP 114           HN       ASP 114 -47.142 -29.247 -25.854
  856    HA   ASP 114           HA       ASP 114 -44.268 -28.928 -25.439
  857    HB2  ASP 114           HB2      ASP 114 -44.933 -29.111 -23.009
  858    HB3  ASP 114           HB1      ASP 114 -45.633 -27.754 -23.877
  859    H    CYS 115           HN       CYS 115 -43.090 -30.417 -24.119
  860    HA   CYS 115           HA       CYS 115 -44.139 -33.174 -24.133
  861    HB2  CYS 115           HB2      CYS 115 -42.666 -32.880 -26.062
  862    HB3  CYS 115           HB1      CYS 115 -41.359 -32.406 -24.972
  863    HG   CYS 115           HG       CYS 115 -41.147 -34.986 -25.226
  864    HA   PRO 116           HA       PRO 116 -42.292 -32.680 -20.015
  865    HB2  PRO 116           HB2      PRO 116 -43.182 -35.021 -18.912
  866    HB3  PRO 116           HB1      PRO 116 -44.246 -33.622 -19.155
  867    HG2  PRO 116           HG2      PRO 116 -43.985 -36.100 -20.799
  868    HG3  PRO 116           HG1      PRO 116 -45.442 -35.195 -20.358
  869    HD2  PRO 116           HD2      PRO 116 -44.172 -35.009 -22.805
  870    HD3  PRO 116           HD1      PRO 116 -45.197 -33.719 -22.121
  871    H    SER 117           HN       SER 117 -42.238 -35.914 -21.520
  872    HA   SER 117           HA       SER 117 -39.331 -36.167 -20.908
  873    HB2  SER 117           HB2      SER 117 -41.504 -38.276 -20.895
  874    HB3  SER 117           HB1      SER 117 -39.786 -38.673 -20.918
  875    HG   SER 117           HG       SER 117 -39.550 -37.613 -18.961
  876    H    ILE 118           HN       ILE 118 -38.237 -35.887 -22.764
  877    HA   ILE 118           HA       ILE 118 -39.387 -36.249 -25.340
  878    HB   ILE 118           HB       ILE 118 -37.323 -34.827 -24.437
  879   HG12  ILE 118          HG12      ILE 118 -37.367 -35.948 -27.254
  880   HG13  ILE 118          HG11      ILE 118 -38.399 -34.640 -26.673
  881   HG21  ILE 118          HG21      ILE 118 -35.179 -35.706 -25.048
  882   HG22  ILE 118          HG22      ILE 118 -35.900 -37.178 -25.689
  883   HG23  ILE 118          HG23      ILE 118 -35.951 -36.844 -23.953
  884   HD11  ILE 118          HD11      ILE 118 -36.664 -33.125 -26.538
  885   HD12  ILE 118          HD12      ILE 118 -36.144 -34.095 -27.911
  886   HD13  ILE 118          HD13      ILE 118 -35.427 -34.366 -26.332
  887    H    MET 119           HN       MET 119 -37.126 -38.171 -23.423
  888    HA   MET 119           HA       MET 119 -36.643 -40.131 -25.386
  889    HB2  MET 119           HB2      MET 119 -35.213 -39.773 -23.413
  890    HB3  MET 119           HB1      MET 119 -36.505 -40.389 -22.385
  891    HG2  MET 119           HG2      MET 119 -36.409 -42.553 -23.428
  892    HG3  MET 119           HG1      MET 119 -35.329 -41.957 -24.683
  893    HE1  MET 119           HE1      MET 119 -34.809 -44.505 -23.195
  894    HE2  MET 119           HE2      MET 119 -33.122 -44.418 -22.696
  895    HE3  MET 119           HE3      MET 119 -33.590 -43.856 -24.298
  896    H    GLU 120           HN       GLU 120 -39.378 -39.539 -23.394
  897    HA   GLU 120           HA       GLU 120 -40.321 -42.278 -23.358
  898    HB2  GLU 120           HB2      GLU 120 -40.854 -40.649 -21.573
  899    HB3  GLU 120           HB1      GLU 120 -41.788 -39.714 -22.742
  900    HG2  GLU 120           HG2      GLU 120 -43.341 -41.091 -21.566
  901    HG3  GLU 120           HG1      GLU 120 -43.165 -41.817 -23.151
  902    H    GLN 121           HN       GLN 121 -41.147 -39.328 -25.133
  903    HA   GLN 121           HA       GLN 121 -43.124 -40.788 -26.740
  904    HB2  GLN 121           HB2      GLN 121 -43.546 -38.481 -27.670
  905    HB3  GLN 121           HB1      GLN 121 -43.895 -38.704 -25.950
  906    HG2  GLN 121           HG2      GLN 121 -42.209 -37.318 -25.279
  907    HG3  GLN 121           HG1      GLN 121 -41.107 -37.855 -26.542
  908   HE21  GLN 121          HE21      GLN 121 -44.274 -36.768 -27.586
  909   HE22  GLN 121          HE22      GLN 121 -43.746 -35.261 -28.175
  910    H    PHE 122           HN       PHE 122 -39.932 -39.330 -27.051
  911    HA   PHE 122           HA       PHE 122 -39.934 -40.081 -29.917
  912    HB2  PHE 122           HB2      PHE 122 -38.363 -37.905 -28.532
  913    HB3  PHE 122           HB1      PHE 122 -38.173 -38.359 -30.223
  914    HD1  PHE 122           HD2      PHE 122 -41.049 -38.798 -31.062
  915    HD2  PHE 122           HD1      PHE 122 -39.296 -35.738 -28.585
  916    HE1  PHE 122           HE2      PHE 122 -42.893 -37.295 -31.611
  917    HE2  PHE 122           HE1      PHE 122 -41.164 -34.225 -29.187
  918    HZ   PHE 122           HZ       PHE 122 -42.959 -35.019 -30.689
  919    H    HIS 123           HN       HIS 123 -38.959 -41.304 -27.120
  920    HA   HIS 123           HA       HIS 123 -37.265 -42.760 -26.514
  921    HB2  HIS 123           HB2      HIS 123 -37.319 -43.225 -29.496
  922    HB3  HIS 123           HB1      HIS 123 -36.553 -44.290 -28.312
  923    HD2  HIS 123           HD2      HIS 123 -39.141 -45.568 -29.860
  924    HE1  HIS 123           HE1      HIS 123 -41.283 -44.698 -26.328
  925    HE2  HIS 123           HE2      HIS 123 -41.301 -46.056 -28.475
  926    H    MET 124           HN       MET 124 -36.606 -39.936 -27.773
  927    HA   MET 124           HA       MET 124 -33.888 -40.280 -28.650
  928    HB2  MET 124           HB2      MET 124 -35.600 -37.885 -27.987
  929    HB3  MET 124           HB1      MET 124 -33.880 -37.731 -28.340
  930    HG2  MET 124           HG2      MET 124 -34.186 -38.781 -30.513
  931    HG3  MET 124           HG1      MET 124 -35.889 -39.053 -30.171
  932    HE1  MET 124           HE1      MET 124 -35.392 -38.113 -32.573
  933    HE2  MET 124           HE2      MET 124 -34.067 -36.954 -32.555
  934    HE3  MET 124           HE3      MET 124 -35.692 -36.414 -32.967
  935    H    ARG 125           HN       ARG 125 -32.076 -40.168 -27.472
  936    HA   ARG 125           HA       ARG 125 -32.372 -39.857 -24.550
  937    HB2  ARG 125           HB2      ARG 125 -30.020 -41.010 -24.691
  938    HB3  ARG 125           HB1      ARG 125 -31.473 -41.977 -24.925
  939    HG2  ARG 125           HG2      ARG 125 -31.246 -41.831 -27.342
  940    HG3  ARG 125           HG1      ARG 125 -29.876 -40.730 -27.178
  941    HD2  ARG 125           HD2      ARG 125 -29.041 -42.970 -27.609
  942    HD3  ARG 125           HD1      ARG 125 -28.642 -42.519 -25.954
  943    HE   ARG 125           HE       ARG 125 -31.132 -43.886 -26.016
  944   HH11  ARG 125          HH21      ARG 125 -27.719 -44.347 -26.380
  945   HH12  ARG 125          HH22      ARG 125 -27.745 -45.992 -25.838
  946   HH21  ARG 125          HH11      ARG 125 -31.171 -46.040 -25.303
  947   HH22  ARG 125          HH12      ARG 125 -29.700 -46.951 -25.229
  948    H    GLU 126           HN       GLU 126 -30.737 -38.655 -27.414
  949    HA   GLU 126           HA       GLU 126 -29.751 -36.402 -25.847
  950    HB2  GLU 126           HB2      GLU 126 -27.764 -37.957 -27.510
  951    HB3  GLU 126           HB1      GLU 126 -27.451 -36.577 -26.480
  952    HG2  GLU 126           HG2      GLU 126 -28.133 -37.914 -24.506
  953    HG3  GLU 126           HG1      GLU 126 -28.344 -39.310 -25.557
  954    H    ILE 127           HN       ILE 127 -30.636 -34.823 -26.952
  955    HA   ILE 127           HA       ILE 127 -31.060 -34.911 -29.791
  956    HB   ILE 127           HB       ILE 127 -31.236 -32.419 -28.085
  957   HG12  ILE 127          HG12      ILE 127 -32.545 -34.003 -26.845
  958   HG13  ILE 127          HG11      ILE 127 -33.700 -33.126 -27.849
  959   HG21  ILE 127          HG21      ILE 127 -31.494 -32.083 -30.475
  960   HG22  ILE 127          HG22      ILE 127 -33.062 -31.918 -29.710
  961   HG23  ILE 127          HG23      ILE 127 -32.650 -33.400 -30.575
  962   HD11  ILE 127          HD11      ILE 127 -34.251 -35.443 -28.064
  963   HD12  ILE 127          HD12      ILE 127 -32.571 -35.887 -28.325
  964   HD13  ILE 127          HD13      ILE 127 -33.446 -34.987 -29.562
  965    H    HIS 128           HN       HIS 128 -29.722 -34.406 -31.345
  966    HA   HIS 128           HA       HIS 128 -27.205 -33.004 -30.688
  967    HB2  HIS 128           HB2      HIS 128 -27.930 -34.785 -33.001
  968    HB3  HIS 128           HB1      HIS 128 -26.342 -34.080 -32.727
  969    HD2  HIS 128           HD2      HIS 128 -24.848 -35.332 -30.659
  970    HE1  HIS 128           HE1      HIS 128 -27.704 -38.320 -29.802
  971    HE2  HIS 128           HE2      HIS 128 -25.321 -37.546 -29.361
  972    H    SER 129           HN       SER 129 -30.009 -32.946 -32.819
  973    HA   SER 129           HA       SER 129 -29.427 -30.169 -33.473
  974    HB2  SER 129           HB2      SER 129 -28.204 -31.101 -35.256
  975    HB3  SER 129           HB1      SER 129 -29.410 -32.357 -35.545
  976    HG   SER 129           HG       SER 129 -30.785 -30.271 -35.823
  977    H    CYS 130           HN       CYS 130 -31.201 -29.019 -34.205
  978    HA   CYS 130           HA       CYS 130 -33.750 -30.386 -34.630
  979    HB2  CYS 130           HB2      CYS 130 -34.111 -30.210 -32.345
  980    HB3  CYS 130           HB1      CYS 130 -33.054 -28.807 -32.187
  981    HG   CYS 130           HG       CYS 130 -34.986 -27.326 -33.197
  982    H    LYS 131           HN       LYS 131 -34.940 -29.336 -36.104
  983    HA   LYS 131           HA       LYS 131 -34.124 -26.587 -36.882
  984    HB2  LYS 131           HB2      LYS 131 -35.464 -28.724 -38.558
  985    HB3  LYS 131           HB1      LYS 131 -34.970 -27.124 -39.115
  986    HG2  LYS 131           HG2      LYS 131 -32.606 -27.765 -38.332
  987    HG3  LYS 131           HG1      LYS 131 -33.215 -29.416 -38.231
  988    HD2  LYS 131           HD2      LYS 131 -33.357 -27.696 -40.725
  989    HD3  LYS 131           HD1      LYS 131 -32.110 -28.902 -40.421
  990    HE2  LYS 131           HE2      LYS 131 -33.968 -30.607 -40.159
  991    HE3  LYS 131           HE1      LYS 131 -35.080 -29.375 -40.755
  992    HZ1  LYS 131           HZ1      LYS 131 -33.779 -29.204 -42.766
  993    HZ2  LYS 131           HZ2      LYS 131 -34.273 -30.812 -42.530
  994    HZ3  LYS 131           HZ3      LYS 131 -32.672 -30.353 -42.190
  995    H    VAL 132           HN       VAL 132 -36.173 -25.759 -38.347
  996    HA   VAL 132           HA       VAL 132 -38.221 -24.739 -38.192
  997    HB   VAL 132           HB       VAL 132 -39.004 -27.274 -36.733
  998   HG11  VAL 132          HG11      VAL 132 -41.221 -26.652 -37.938
  999   HG12  VAL 132          HG12      VAL 132 -40.522 -25.048 -38.099
 1000   HG13  VAL 132          HG13      VAL 132 -40.782 -25.737 -36.496
 1001   HG21  VAL 132          HG21      VAL 132 -38.965 -26.604 -39.692
 1002   HG22  VAL 132          HG22      VAL 132 -39.670 -28.061 -38.996
 1003   HG23  VAL 132          HG23      VAL 132 -37.932 -27.784 -38.883
 1004    H    LEU 133           HN       LEU 133 -37.158 -23.229 -36.715
 1005    HA   LEU 133           HA       LEU 133 -37.815 -23.531 -33.863
 1006    HB2  LEU 133           HB2      LEU 133 -36.343 -21.225 -35.142
 1007    HB3  LEU 133           HB1      LEU 133 -36.313 -21.742 -33.458
 1008    HG   LEU 133           HG       LEU 133 -34.264 -22.521 -34.400
 1009   HD11  LEU 133          HD11      LEU 133 -35.645 -24.171 -33.030
 1010   HD12  LEU 133          HD12      LEU 133 -34.404 -24.884 -34.063
 1011   HD13  LEU 133          HD13      LEU 133 -36.086 -24.929 -34.559
 1012   HD21  LEU 133          HD21      LEU 133 -35.406 -24.208 -36.573
 1013   HD22  LEU 133          HD22      LEU 133 -33.947 -23.222 -36.552
 1014   HD23  LEU 133          HD23      LEU 133 -35.504 -22.470 -36.861
 1015    H    GLU 134           HN       GLU 134 -38.643 -21.493 -32.759
 1016    HA   GLU 134           HA       GLU 134 -40.431 -19.888 -34.445
 1017    HB2  GLU 134           HB2      GLU 134 -41.299 -22.023 -32.617
 1018    HB3  GLU 134           HB1      GLU 134 -42.044 -20.477 -32.229
 1019    HG2  GLU 134           HG2      GLU 134 -43.449 -21.607 -33.800
 1020    HG3  GLU 134           HG1      GLU 134 -42.699 -20.267 -34.647
 1021    H    GLY 135           HN       GLY 135 -39.827 -17.886 -34.002
 1022    HA2  GLY 135           HA2      GLY 135 -38.875 -16.104 -32.844
 1023    HA3  GLY 135           HA1      GLY 135 -40.270 -16.401 -31.815
 1024    H    VAL 136           HN       VAL 136 -40.021 -17.600 -29.910
 1025    HA   VAL 136           HA       VAL 136 -37.232 -17.867 -28.953
 1026    HB   VAL 136           HB       VAL 136 -39.646 -17.407 -27.231
 1027   HG11  VAL 136          HG11      VAL 136 -38.003 -16.730 -25.579
 1028   HG12  VAL 136          HG12      VAL 136 -36.708 -16.815 -26.769
 1029   HG13  VAL 136          HG13      VAL 136 -37.496 -18.288 -26.218
 1030   HG21  VAL 136          HG21      VAL 136 -38.933 -15.032 -27.191
 1031   HG22  VAL 136          HG22      VAL 136 -39.518 -15.538 -28.771
 1032   HG23  VAL 136          HG23      VAL 136 -37.784 -15.378 -28.478
 1033    H    TRP 137           HN       TRP 137 -36.831 -19.611 -27.467
 1034    HA   TRP 137           HA       TRP 137 -38.841 -21.734 -27.301
 1035    HB2  TRP 137           HB2      TRP 137 -37.373 -21.991 -29.411
 1036    HB3  TRP 137           HB1      TRP 137 -36.056 -22.364 -28.294
 1037    HD1  TRP 137           HD1      TRP 137 -36.124 -24.624 -27.022
 1038    HE1  TRP 137           HE1      TRP 137 -37.607 -26.738 -27.236
 1039    HE3  TRP 137           HE3      TRP 137 -39.803 -22.786 -30.018
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.052 -27.506 -28.521
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.694 -24.220 -30.722
 1042    HH2  TRP 137           HH2      TRP 137 -41.818 -26.573 -29.974
 1043    H    ILE 138           HN       ILE 138 -38.001 -23.555 -25.888
 1044    HA   ILE 138           HA       ILE 138 -35.923 -22.742 -23.975
 1045    HB   ILE 138           HB       ILE 138 -38.780 -23.336 -23.158
 1046   HG12  ILE 138          HG12      ILE 138 -37.001 -20.937 -22.613
 1047   HG13  ILE 138          HG11      ILE 138 -38.252 -20.992 -23.848
 1048   HG21  ILE 138          HG21      ILE 138 -37.367 -24.505 -21.599
 1049   HG22  ILE 138          HG22      ILE 138 -37.834 -23.005 -20.809
 1050   HG23  ILE 138          HG23      ILE 138 -36.230 -23.160 -21.526
 1051   HD11  ILE 138          HD11      ILE 138 -38.558 -20.972 -20.866
 1052   HD12  ILE 138          HD12      ILE 138 -39.822 -21.693 -21.865
 1053   HD13  ILE 138          HD13      ILE 138 -39.389 -19.997 -22.075
 1054    H    PHE 139           HN       PHE 139 -34.642 -24.412 -23.621
 1055    HA   PHE 139           HA       PHE 139 -35.720 -27.168 -23.879
 1056    HB2  PHE 139           HB2      PHE 139 -33.274 -25.873 -24.883
 1057    HB3  PHE 139           HB1      PHE 139 -32.898 -27.325 -23.962
 1058    HD1  PHE 139           HD1      PHE 139 -35.952 -26.667 -26.048
 1059    HD2  PHE 139           HD2      PHE 139 -32.267 -28.839 -25.663
 1060    HE1  PHE 139           HE1      PHE 139 -36.591 -28.080 -27.965
 1061    HE2  PHE 139           HE2      PHE 139 -32.917 -30.265 -27.578
 1062    HZ   PHE 139           HZ       PHE 139 -35.077 -29.880 -28.736
 1063    H    TYR 140           HN       TYR 140 -35.687 -28.447 -22.211
 1064    HA   TYR 140           HA       TYR 140 -34.456 -27.427 -19.705
 1065    HB2  TYR 140           HB2      TYR 140 -36.924 -29.001 -20.359
 1066    HB3  TYR 140           HB1      TYR 140 -36.189 -29.222 -18.795
 1067    HD1  TYR 140           HD2      TYR 140 -35.601 -27.048 -17.470
 1068    HD2  TYR 140           HD1      TYR 140 -38.394 -27.202 -20.717
 1069    HE1  TYR 140           HE2      TYR 140 -36.633 -24.939 -16.682
 1070    HE2  TYR 140           HE1      TYR 140 -39.427 -25.100 -19.936
 1071    HH   TYR 140           HH       TYR 140 -39.098 -23.284 -18.575
 1072    H    GLU 141           HN       GLU 141 -32.532 -28.387 -19.374
 1073    HA   GLU 141           HA       GLU 141 -31.586 -30.716 -20.468
 1074    HB2  GLU 141           HB2      GLU 141 -30.302 -29.019 -19.114
 1075    HB3  GLU 141           HB1      GLU 141 -30.934 -29.803 -17.665
 1076    HG2  GLU 141           HG2      GLU 141 -29.955 -31.956 -18.433
 1077    HG3  GLU 141           HG1      GLU 141 -29.287 -31.124 -19.834
 1078    H    LEU 142           HN       LEU 142 -33.892 -30.367 -17.897
 1079    HA   LEU 142           HA       LEU 142 -33.807 -33.290 -17.381
 1080    HB2  LEU 142           HB2      LEU 142 -34.172 -30.965 -15.603
 1081    HB3  LEU 142           HB1      LEU 142 -35.264 -32.284 -15.283
 1082    HG   LEU 142           HG       LEU 142 -33.327 -33.823 -15.140
 1083   HD11  LEU 142          HD11      LEU 142 -31.047 -32.627 -14.920
 1084   HD12  LEU 142          HD12      LEU 142 -31.822 -31.274 -15.748
 1085   HD13  LEU 142          HD13      LEU 142 -31.692 -32.841 -16.546
 1086   HD21  LEU 142          HD21      LEU 142 -34.121 -32.834 -13.078
 1087   HD22  LEU 142          HD22      LEU 142 -33.230 -31.344 -13.395
 1088   HD23  LEU 142          HD23      LEU 142 -32.359 -32.836 -13.037
 1089    HA   PRO 143           HA       PRO 143 -37.907 -33.494 -18.958
 1090    HB2  PRO 143           HB2      PRO 143 -38.941 -35.630 -17.655
 1091    HB3  PRO 143           HB1      PRO 143 -37.599 -35.794 -18.810
 1092    HG2  PRO 143           HG2      PRO 143 -37.528 -35.769 -15.825
 1093    HG3  PRO 143           HG1      PRO 143 -36.608 -36.763 -16.963
 1094    HD2  PRO 143           HD2      PRO 143 -35.622 -34.492 -15.718
 1095    HD3  PRO 143           HD1      PRO 143 -34.989 -35.170 -17.220
 1096    H    ASN 144           HN       ASN 144 -40.218 -33.410 -18.375
 1097    HA   ASN 144           HA       ASN 144 -42.022 -32.675 -17.191
 1098    HB2  ASN 144           HB2      ASN 144 -40.359 -32.392 -14.693
 1099    HB3  ASN 144           HB1      ASN 144 -42.070 -32.770 -14.854
 1100   HD21  ASN 144          HD21      ASN 144 -38.836 -34.129 -14.903
 1101   HD22  ASN 144          HD22      ASN 144 -39.317 -35.753 -15.025
 1102    H    TYR 145           HN       TYR 145 -39.570 -30.951 -18.231
 1103    HA   TYR 145           HA       TYR 145 -39.443 -28.714 -18.682
 1104    HB2  TYR 145           HB2      TYR 145 -41.489 -28.009 -16.600
 1105    HB3  TYR 145           HB1      TYR 145 -41.143 -27.243 -18.141
 1106    HD1  TYR 145           HD2      TYR 145 -41.315 -29.138 -20.196
 1107    HD2  TYR 145           HD1      TYR 145 -43.579 -29.069 -16.544
 1108    HE1  TYR 145           HE2      TYR 145 -43.123 -30.450 -21.285
 1109    HE2  TYR 145           HE1      TYR 145 -45.361 -30.408 -17.628
 1110    HH   TYR 145           HH       TYR 145 -45.741 -30.727 -20.815
 1111    H    ARG 146           HN       ARG 146 -38.076 -30.215 -16.462
 1112    HA   ARG 146           HA       ARG 146 -37.363 -27.950 -14.694
 1113    HB2  ARG 146           HB2      ARG 146 -37.136 -30.941 -14.319
 1114    HB3  ARG 146           HB1      ARG 146 -36.395 -29.765 -13.231
 1115    HG2  ARG 146           HG2      ARG 146 -38.598 -28.761 -12.793
 1116    HG3  ARG 146           HG1      ARG 146 -39.351 -29.917 -13.892
 1117    HD2  ARG 146           HD2      ARG 146 -38.578 -31.777 -12.467
 1118    HD3  ARG 146           HD1      ARG 146 -37.832 -30.623 -11.365
 1119    HE   ARG 146           HE       ARG 146 -40.677 -31.193 -11.622
 1120   HH11  ARG 146          HH21      ARG 146 -38.192 -29.055 -10.516
 1121   HH12  ARG 146          HH22      ARG 146 -39.184 -28.302  -9.312
 1122   HH21  ARG 146          HH11      ARG 146 -41.983 -30.213 -10.042
 1123   HH22  ARG 146          HH12      ARG 146 -41.330 -28.958  -9.043
 1124    H    GLY 147           HN       GLY 147 -35.014 -28.099 -13.918
 1125    HA2  GLY 147           HA2      GLY 147 -32.721 -28.514 -14.410
 1126    HA3  GLY 147           HA1      GLY 147 -33.180 -29.057 -16.020
 1127    H    ARG 148           HN       ARG 148 -31.100 -27.412 -15.796
 1128    HA   ARG 148           HA       ARG 148 -31.529 -24.658 -15.895
 1129    HB2  ARG 148           HB2      ARG 148 -29.559 -26.386 -17.414
 1130    HB3  ARG 148           HB1      ARG 148 -29.438 -24.630 -17.223
 1131    HG2  ARG 148           HG2      ARG 148 -29.095 -24.791 -14.882
 1132    HG3  ARG 148           HG1      ARG 148 -29.649 -26.468 -14.831
 1133    HD2  ARG 148           HD2      ARG 148 -27.166 -26.274 -14.692
 1134    HD3  ARG 148           HD1      ARG 148 -27.703 -27.199 -16.090
 1135    HE   ARG 148           HE       ARG 148 -27.384 -24.446 -16.756
 1136   HH11  ARG 148          HH21      ARG 148 -25.693 -27.384 -16.081
 1137   HH12  ARG 148          HH22      ARG 148 -24.316 -26.979 -17.051
 1138   HH21  ARG 148          HH11      ARG 148 -25.583 -23.904 -18.036
 1139   HH22  ARG 148          HH12      ARG 148 -24.254 -25.007 -18.159
 1140    H    GLN 149           HN       GLN 149 -32.105 -23.264 -17.527
 1141    HA   GLN 149           HA       GLN 149 -33.407 -24.462 -19.879
 1142    HB2  GLN 149           HB2      GLN 149 -33.585 -21.760 -18.560
 1143    HB3  GLN 149           HB1      GLN 149 -34.311 -22.096 -20.136
 1144    HG2  GLN 149           HG2      GLN 149 -35.681 -23.852 -19.186
 1145    HG3  GLN 149           HG1      GLN 149 -34.863 -23.706 -17.628
 1146   HE21  GLN 149          HE21      GLN 149 -36.222 -22.666 -16.189
 1147   HE22  GLN 149          HE22      GLN 149 -37.195 -21.320 -16.562
 1148    H    TYR 150           HN       TYR 150 -32.718 -24.100 -21.923
 1149    HA   TYR 150           HA       TYR 150 -30.167 -22.616 -22.244
 1150    HB2  TYR 150           HB2      TYR 150 -31.446 -24.837 -23.836
 1151    HB3  TYR 150           HB1      TYR 150 -30.064 -23.916 -24.425
 1152    HD1  TYR 150           HD2      TYR 150 -28.096 -23.636 -22.666
 1153    HD2  TYR 150           HD1      TYR 150 -31.014 -26.787 -22.604
 1154    HE1  TYR 150           HE2      TYR 150 -26.553 -25.038 -21.329
 1155    HE2  TYR 150           HE1      TYR 150 -29.470 -28.188 -21.267
 1156    HH   TYR 150           HH       TYR 150 -26.728 -28.187 -21.025
 1157    H    LEU 151           HN       LEU 151 -30.142 -20.748 -23.306
 1158    HA   LEU 151           HA       LEU 151 -32.554 -19.781 -24.564
 1159    HB2  LEU 151           HB2      LEU 151 -31.065 -18.315 -23.183
 1160    HB3  LEU 151           HB1      LEU 151 -29.837 -18.450 -24.440
 1161    HG   LEU 151           HG       LEU 151 -31.477 -17.503 -26.080
 1162   HD11  LEU 151          HD11      LEU 151 -33.439 -16.234 -24.774
 1163   HD12  LEU 151          HD12      LEU 151 -33.224 -17.562 -23.636
 1164   HD13  LEU 151          HD13      LEU 151 -33.638 -17.899 -25.316
 1165   HD21  LEU 151          HD21      LEU 151 -30.849 -15.893 -23.600
 1166   HD22  LEU 151          HD22      LEU 151 -31.482 -15.184 -25.084
 1167   HD23  LEU 151          HD23      LEU 151 -29.911 -15.978 -25.091
 1168    H    LEU 152           HN       LEU 152 -32.684 -19.059 -26.702
 1169    HA   LEU 152           HA       LEU 152 -30.839 -20.372 -28.614
 1170    HB2  LEU 152           HB2      LEU 152 -32.678 -20.892 -30.039
 1171    HB3  LEU 152           HB1      LEU 152 -33.115 -21.442 -28.436
 1172    HG   LEU 152           HG       LEU 152 -35.054 -20.368 -29.285
 1173   HD11  LEU 152          HD11      LEU 152 -33.792 -18.164 -27.655
 1174   HD12  LEU 152          HD12      LEU 152 -34.303 -19.691 -26.938
 1175   HD13  LEU 152          HD13      LEU 152 -35.469 -18.645 -27.718
 1176   HD21  LEU 152          HD21      LEU 152 -33.379 -18.916 -30.948
 1177   HD22  LEU 152          HD22      LEU 152 -33.962 -17.678 -29.839
 1178   HD23  LEU 152          HD23      LEU 152 -35.106 -18.639 -30.752
 1179    H    ASP 153           HN       ASP 153 -30.534 -19.336 -30.640
 1180    HA   ASP 153           HA       ASP 153 -31.603 -16.812 -31.316
 1181    HB2  ASP 153           HB2      ASP 153 -30.265 -16.038 -29.375
 1182    HB3  ASP 153           HB1      ASP 153 -28.819 -16.688 -30.141
 1183    H    LYS 154           HN       LYS 154 -29.162 -19.254 -31.601
 1184    HA   LYS 154           HA       LYS 154 -27.962 -18.290 -34.008
 1185    HB2  LYS 154           HB2      LYS 154 -26.994 -19.970 -32.326
 1186    HB3  LYS 154           HB1      LYS 154 -28.018 -21.167 -33.114
 1187    HG2  LYS 154           HG2      LYS 154 -26.065 -21.401 -34.368
 1188    HG3  LYS 154           HG1      LYS 154 -26.916 -20.200 -35.332
 1189    HD2  LYS 154           HD2      LYS 154 -25.665 -18.396 -34.219
 1190    HD3  LYS 154           HD1      LYS 154 -24.845 -19.580 -33.202
 1191    HE2  LYS 154           HE2      LYS 154 -23.875 -20.631 -35.208
 1192    HE3  LYS 154           HE1      LYS 154 -24.694 -19.445 -36.225
 1193    HZ1  LYS 154           HZ1      LYS 154 -23.140 -18.301 -34.080
 1194    HZ2  LYS 154           HZ2      LYS 154 -23.208 -17.874 -35.724
 1195    HZ3  LYS 154           HZ3      LYS 154 -22.216 -19.157 -35.218
 1196    H    LYS 155           HN       LYS 155 -28.275 -18.961 -36.130
 1197    HA   LYS 155           HA       LYS 155 -30.979 -19.672 -36.810
 1198    HB2  LYS 155           HB2      LYS 155 -28.496 -19.220 -38.472
 1199    HB3  LYS 155           HB1      LYS 155 -30.079 -19.576 -39.160
 1200    HG2  LYS 155           HG2      LYS 155 -31.025 -17.592 -38.086
 1201    HG3  LYS 155           HG1      LYS 155 -29.473 -17.244 -37.321
 1202    HD2  LYS 155           HD2      LYS 155 -28.435 -17.026 -39.563
 1203    HD3  LYS 155           HD1      LYS 155 -30.009 -17.316 -40.306
 1204    HE2  LYS 155           HE2      LYS 155 -29.464 -15.067 -38.350
 1205    HE3  LYS 155           HE1      LYS 155 -29.404 -14.877 -40.103
 1206    HZ1  LYS 155           HZ1      LYS 155 -31.701 -15.642 -40.217
 1207    HZ2  LYS 155           HZ2      LYS 155 -31.563 -14.253 -39.247
 1208    HZ3  LYS 155           HZ3      LYS 155 -31.754 -15.780 -38.527
 1209    H    GLU 156           HN       GLU 156 -31.478 -21.730 -36.247
 1210    HA   GLU 156           HA       GLU 156 -31.687 -23.994 -36.604
 1211    HB2  GLU 156           HB2      GLU 156 -30.749 -23.180 -38.986
 1212    HB3  GLU 156           HB1      GLU 156 -29.347 -24.112 -38.475
 1213    HG2  GLU 156           HG2      GLU 156 -30.878 -26.053 -38.028
 1214    HG3  GLU 156           HG1      GLU 156 -32.204 -25.102 -38.691
 1215    H    TYR 157           HN       TYR 157 -30.752 -25.877 -35.735
 1216    HA   TYR 157           HA       TYR 157 -28.143 -25.480 -34.371
 1217    HB2  TYR 157           HB2      TYR 157 -30.274 -27.352 -33.359
 1218    HB3  TYR 157           HB1      TYR 157 -28.965 -26.578 -32.469
 1219    HD1  TYR 157           HD2      TYR 157 -29.225 -23.743 -33.342
 1220    HD2  TYR 157           HD1      TYR 157 -32.249 -26.618 -32.317
 1221    HE1  TYR 157           HE2      TYR 157 -30.759 -21.910 -32.725
 1222    HE2  TYR 157           HE1      TYR 157 -33.786 -24.773 -31.704
 1223    HH   TYR 157           HH       TYR 157 -33.721 -22.463 -31.065
 1224    H    ARG 158           HN       ARG 158 -26.649 -26.615 -35.378
 1225    HA   ARG 158           HA       ARG 158 -27.344 -29.280 -36.470
 1226    HB2  ARG 158           HB2      ARG 158 -25.377 -29.053 -37.887
 1227    HB3  ARG 158           HB1      ARG 158 -26.434 -27.660 -38.097
 1228    HG2  ARG 158           HG2      ARG 158 -25.030 -26.374 -36.513
 1229    HG3  ARG 158           HG1      ARG 158 -23.953 -27.760 -36.359
 1230    HD2  ARG 158           HD2      ARG 158 -24.579 -26.400 -38.983
 1231    HD3  ARG 158           HD1      ARG 158 -23.165 -26.036 -37.999
 1232    HE   ARG 158           HE       ARG 158 -23.245 -28.815 -38.433
 1233   HH11  ARG 158          HH21      ARG 158 -22.837 -25.830 -40.128
 1234   HH12  ARG 158          HH22      ARG 158 -21.825 -26.504 -41.360
 1235   HH21  ARG 158          HH11      ARG 158 -21.918 -29.715 -40.042
 1236   HH22  ARG 158          HH12      ARG 158 -21.303 -28.707 -41.311
 1237    H    LYS 159           HN       LYS 159 -25.519 -27.626 -34.046
 1238    HA   LYS 159           HA       LYS 159 -24.122 -30.153 -33.357
 1239    HB2  LYS 159           HB2      LYS 159 -22.498 -28.477 -32.165
 1240    HB3  LYS 159           HB1      LYS 159 -22.370 -28.709 -33.908
 1241    HG2  LYS 159           HG2      LYS 159 -23.484 -26.660 -34.369
 1242    HG3  LYS 159           HG1      LYS 159 -24.124 -26.552 -32.731
 1243    HD2  LYS 159           HD2      LYS 159 -22.344 -24.968 -32.838
 1244    HD3  LYS 159           HD1      LYS 159 -21.707 -26.338 -31.941
 1245    HE2  LYS 159           HE2      LYS 159 -20.111 -25.521 -33.642
 1246    HE3  LYS 159           HE1      LYS 159 -20.609 -27.182 -33.948
 1247    HZ1  LYS 159           HZ1      LYS 159 -22.393 -25.370 -35.190
 1248    HZ2  LYS 159           HZ2      LYS 159 -21.450 -26.594 -35.896
 1249    HZ3  LYS 159           HZ3      LYS 159 -20.802 -25.039 -35.678
 1250    HA   PRO 160           HA       PRO 160 -26.140 -30.086 -29.465
 1251    HB2  PRO 160           HB2      PRO 160 -24.051 -30.812 -27.750
 1252    HB3  PRO 160           HB1      PRO 160 -25.048 -31.909 -28.687
 1253    HG2  PRO 160           HG2      PRO 160 -22.346 -30.891 -29.279
 1254    HG3  PRO 160           HG1      PRO 160 -23.037 -32.486 -29.607
 1255    HD2  PRO 160           HD2      PRO 160 -22.723 -30.626 -31.550
 1256    HD3  PRO 160           HD1      PRO 160 -24.053 -31.779 -31.570
 1257    H    ILE 161           HN       ILE 161 -23.443 -28.043 -30.020
 1258    HA   ILE 161           HA       ILE 161 -23.873 -26.579 -27.509
 1259    HB   ILE 161           HB       ILE 161 -21.769 -26.197 -29.643
 1260   HG12  ILE 161          HG12      ILE 161 -20.476 -27.305 -27.486
 1261   HG13  ILE 161          HG11      ILE 161 -22.015 -28.146 -27.392
 1262   HG21  ILE 161          HG21      ILE 161 -21.837 -24.213 -28.407
 1263   HG22  ILE 161          HG22      ILE 161 -20.608 -25.154 -27.565
 1264   HG23  ILE 161          HG23      ILE 161 -22.240 -25.046 -26.900
 1265   HD11  ILE 161          HD11      ILE 161 -20.093 -28.062 -29.729
 1266   HD12  ILE 161          HD12      ILE 161 -21.734 -28.696 -29.854
 1267   HD13  ILE 161          HD13      ILE 161 -20.569 -29.468 -28.777
 1268    H    ASP 162           HN       ASP 162 -25.081 -26.599 -30.575
 1269    HA   ASP 162           HA       ASP 162 -24.973 -23.897 -31.342
 1270    HB2  ASP 162           HB2      ASP 162 -26.455 -26.237 -32.237
 1271    HB3  ASP 162           HB1      ASP 162 -27.462 -24.815 -32.289
 1272    H    TRP 163           HN       TRP 163 -26.897 -25.521 -28.943
 1273    HA   TRP 163           HA       TRP 163 -28.546 -23.088 -28.593
 1274    HB2  TRP 163           HB2      TRP 163 -29.907 -24.748 -27.115
 1275    HB3  TRP 163           HB1      TRP 163 -30.030 -24.872 -28.872
 1276    HD1  TRP 163           HD1      TRP 163 -27.519 -26.273 -26.291
 1277    HE1  TRP 163           HE1      TRP 163 -27.192 -28.779 -26.775
 1278    HE3  TRP 163           HE3      TRP 163 -30.645 -26.852 -30.294
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.101 -30.745 -28.574
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.863 -29.076 -31.384
 1281    HH2  TRP 163           HH2      TRP 163 -29.565 -31.005 -30.520
 1282    H    GLY 164           HN       GLY 164 -25.716 -23.716 -27.643
 1283    HA2  GLY 164           HA2      GLY 164 -24.506 -23.038 -25.817
 1284    HA3  GLY 164           HA1      GLY 164 -26.013 -22.475 -25.106
 1285    H    ALA 165           HN       ALA 165 -25.604 -25.878 -26.004
 1286    HA   ALA 165           HA       ALA 165 -25.549 -26.518 -23.092
 1287    HB1  ALA 165           HB1      ALA 165 -26.408 -28.280 -25.378
 1288    HB2  ALA 165           HB2      ALA 165 -27.509 -27.416 -24.306
 1289    HB3  ALA 165           HB3      ALA 165 -26.473 -28.685 -23.673
 1290    H    ALA 166           HN       ALA 166 -23.967 -27.740 -22.284
 1291    HA   ALA 166           HA       ALA 166 -21.571 -28.055 -23.840
 1292    HB1  ALA 166           HB1      ALA 166 -21.333 -27.442 -21.527
 1293    HB2  ALA 166           HB2      ALA 166 -20.687 -29.073 -21.718
 1294    HB3  ALA 166           HB3      ALA 166 -22.282 -28.833 -21.004
 1295    H    SER 167           HN       SER 167 -24.125 -29.661 -24.451
 1296    HA   SER 167           HA       SER 167 -22.942 -31.949 -25.439
 1297    HB2  SER 167           HB2      SER 167 -23.567 -32.119 -22.566
 1298    HB3  SER 167           HB1      SER 167 -24.158 -33.472 -23.520
 1299    HG   SER 167           HG       SER 167 -21.882 -33.495 -22.676
 1300    HA   PRO 168           HA       PRO 168 -27.094 -32.354 -27.058
 1301    HB2  PRO 168           HB2      PRO 168 -27.060 -34.914 -28.015
 1302    HB3  PRO 168           HB1      PRO 168 -26.166 -33.620 -28.791
 1303    HG2  PRO 168           HG2      PRO 168 -25.185 -35.723 -26.948
 1304    HG3  PRO 168           HG1      PRO 168 -24.406 -35.049 -28.387
 1305    HD2  PRO 168           HD2      PRO 168 -23.724 -34.315 -25.819
 1306    HD3  PRO 168           HD1      PRO 168 -23.527 -33.250 -27.226
 1307    H    ALA 169           HN       ALA 169 -26.167 -33.720 -24.222
 1308    HA   ALA 169           HA       ALA 169 -28.271 -35.669 -23.894
 1309    HB1  ALA 169           HB1      ALA 169 -26.151 -36.015 -22.758
 1310    HB2  ALA 169           HB2      ALA 169 -27.413 -35.744 -21.555
 1311    HB3  ALA 169           HB3      ALA 169 -26.287 -34.447 -21.960
 1312    H    VAL 170           HN       VAL 170 -29.921 -33.953 -24.542
 1313    HA   VAL 170           HA       VAL 170 -30.617 -32.192 -22.283
 1314    HB   VAL 170           HB       VAL 170 -32.025 -32.292 -24.940
 1315   HG11  VAL 170          HG11      VAL 170 -31.588 -29.692 -23.593
 1316   HG12  VAL 170          HG12      VAL 170 -32.484 -30.823 -22.590
 1317   HG13  VAL 170          HG13      VAL 170 -33.088 -30.402 -24.186
 1318   HG21  VAL 170          HG21      VAL 170 -30.410 -30.373 -25.526
 1319   HG22  VAL 170          HG22      VAL 170 -29.749 -32.007 -25.598
 1320   HG23  VAL 170          HG23      VAL 170 -29.400 -30.971 -24.211
 1321    H    GLN 171           HN       GLN 171 -33.409 -32.177 -23.175
 1322    HA   GLN 171           HA       GLN 171 -34.419 -34.830 -22.774
 1323    HB2  GLN 171           HB2      GLN 171 -34.674 -32.823 -20.529
 1324    HB3  GLN 171           HB1      GLN 171 -35.800 -34.155 -20.721
 1325    HG2  GLN 171           HG2      GLN 171 -32.819 -34.450 -20.384
 1326    HG3  GLN 171           HG1      GLN 171 -34.008 -34.696 -19.160
 1327   HE21  GLN 171          HE21      GLN 171 -32.342 -36.303 -21.670
 1328   HE22  GLN 171          HE22      GLN 171 -33.305 -37.702 -21.720
 1329    H    SER 172           HN       SER 172 -36.792 -33.102 -21.493
 1330    HA   SER 172           HA       SER 172 -38.086 -32.810 -24.083
 1331    HB2  SER 172           HB2      SER 172 -38.849 -33.996 -21.833
 1332    HB3  SER 172           HB1      SER 172 -39.563 -32.410 -21.549
 1333    HG   SER 172           HG       SER 172 -39.814 -33.503 -24.091
 1334    H    PHE 173           HN       PHE 173 -40.127 -31.049 -23.233
 1335    HA   PHE 173           HA       PHE 173 -38.997 -28.558 -22.481
 1336    HB2  PHE 173           HB2      PHE 173 -39.076 -27.422 -24.654
 1337    HB3  PHE 173           HB1      PHE 173 -37.915 -28.759 -24.674
 1338    HD1  PHE 173           HD1      PHE 173 -41.285 -27.676 -25.730
 1339    HD2  PHE 173           HD2      PHE 173 -38.276 -30.724 -25.998
 1340    HE1  PHE 173           HE1      PHE 173 -42.514 -28.724 -27.605
 1341    HE2  PHE 173           HE2      PHE 173 -39.508 -31.779 -27.872
 1342    HZ   PHE 173           HZ       PHE 173 -41.630 -30.777 -28.678
 1343    H    ARG 174           HN       ARG 174 -40.547 -26.720 -23.442
 1344    HA   ARG 174           HA       ARG 174 -43.287 -27.566 -23.708
 1345    HB2  ARG 174           HB2      ARG 174 -43.983 -26.209 -21.664
 1346    HB3  ARG 174           HB1      ARG 174 -43.267 -27.792 -21.367
 1347    HG2  ARG 174           HG2      ARG 174 -41.225 -26.895 -20.646
 1348    HG3  ARG 174           HG1      ARG 174 -41.494 -25.353 -21.450
 1349    HD2  ARG 174           HD2      ARG 174 -43.085 -26.350 -19.075
 1350    HD3  ARG 174           HD1      ARG 174 -41.747 -25.203 -18.982
 1351    HE   ARG 174           HE       ARG 174 -43.526 -24.147 -20.822
 1352   HH11  ARG 174          HH21      ARG 174 -43.504 -25.126 -17.505
 1353   HH12  ARG 174          HH22      ARG 174 -44.691 -23.966 -17.008
 1354   HH21  ARG 174          HH11      ARG 174 -45.079 -22.616 -20.181
 1355   HH22  ARG 174          HH12      ARG 174 -45.582 -22.543 -18.525
 1356    H    ARG 175           HN       ARG 175 -44.352 -26.117 -24.881
 1357    HA   ARG 175           HA       ARG 175 -43.161 -23.918 -26.061
 1358    HB2  ARG 175           HB2      ARG 175 -45.378 -23.300 -26.804
 1359    HB3  ARG 175           HB1      ARG 175 -45.286 -25.059 -26.794
 1360    HG2  ARG 175           HG2      ARG 175 -46.314 -25.021 -24.486
 1361    HG3  ARG 175           HG1      ARG 175 -46.594 -23.294 -24.718
 1362    HD2  ARG 175           HD2      ARG 175 -47.906 -23.778 -26.753
 1363    HD3  ARG 175           HD1      ARG 175 -47.656 -25.504 -26.497
 1364    HE   ARG 175           HE       ARG 175 -48.827 -24.176 -24.218
 1365   HH11  ARG 175          HH21      ARG 175 -49.396 -25.675 -27.289
 1366   HH12  ARG 175          HH22      ARG 175 -51.034 -26.107 -26.926
 1367   HH21  ARG 175          HH11      ARG 175 -50.966 -24.743 -23.739
 1368   HH22  ARG 175          HH12      ARG 175 -51.923 -25.579 -24.915
 1369    H    ILE 176           HN       ILE 176 -42.856 -21.857 -25.565
 1370    HA   ILE 176           HA       ILE 176 -43.011 -20.991 -22.875
 1371    HB   ILE 176           HB       ILE 176 -42.784 -19.204 -25.312
 1372   HG12  ILE 176          HG12      ILE 176 -40.681 -20.817 -23.841
 1373   HG13  ILE 176          HG11      ILE 176 -41.141 -20.973 -25.535
 1374   HG21  ILE 176          HG21      ILE 176 -43.140 -18.234 -22.957
 1375   HG22  ILE 176          HG22      ILE 176 -41.705 -17.682 -23.818
 1376   HG23  ILE 176          HG23      ILE 176 -41.561 -18.907 -22.555
 1377   HD11  ILE 176          HD11      ILE 176 -40.517 -18.287 -25.358
 1378   HD12  ILE 176          HD12      ILE 176 -39.426 -19.542 -25.937
 1379   HD13  ILE 176          HD13      ILE 176 -39.351 -19.013 -24.258
 1380    H    VAL 177           HN       VAL 177 -44.556 -19.909 -21.767
 1381    HA   VAL 177           HA       VAL 177 -46.919 -18.907 -23.241
 1382    HB   VAL 177           HB       VAL 177 -46.907 -20.679 -20.789
 1383   HG11  VAL 177          HG11      VAL 177 -48.568 -19.027 -20.367
 1384   HG12  VAL 177          HG12      VAL 177 -49.444 -20.402 -21.038
 1385   HG13  VAL 177          HG13      VAL 177 -49.081 -19.007 -22.055
 1386   HG21  VAL 177          HG21      VAL 177 -48.427 -22.042 -22.294
 1387   HG22  VAL 177          HG22      VAL 177 -46.746 -21.954 -22.820
 1388   HG23  VAL 177          HG23      VAL 177 -47.970 -20.961 -23.613
 1389    H    GLU 178           HN       GLU 178 -47.651 -16.990 -22.571
 1390    HA   GLU 178           HA       GLU 178 -47.341 -15.973 -19.941
 1391    HB2  GLU 178           HB2      GLU 178 -44.976 -15.793 -20.896
 1392    HB3  GLU 178           HB1      GLU 178 -45.626 -14.577 -21.995
 1393    HG2  GLU 178           HG2      GLU 178 -45.948 -14.405 -18.990
 1394    HG3  GLU 178           HG1      GLU 178 -44.598 -13.674 -19.851
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1 -43.779   0.003 -17.224
    2    H2   GLY   1           HT2      GLY   1 -45.198   0.259 -18.123
    3    H3   GLY   1           HT3      GLY   1 -43.869   1.301 -18.311
    4    HA2  GLY   1           HA2      GLY   1 -42.975   0.023 -19.862
    5    HA3  GLY   1           HA1      GLY   1 -43.078  -1.376 -18.791
    6    H    SER   2           HN       SER   2 -45.714  -1.729 -18.388
    7    HA   SER   2           HA       SER   2 -47.690  -2.469 -19.299
    8    HB2  SER   2           HB2      SER   2 -47.008  -1.324 -21.989
    9    HB3  SER   2           HB1      SER   2 -48.567  -1.418 -21.178
   10    HG   SER   2           HG       SER   2 -46.635   0.507 -21.072
   11    H    LYS   3           HN       LYS   3 -48.289  -3.527 -21.773
   12    HA   LYS   3           HA       LYS   3 -46.947  -6.021 -21.687
   13    HB2  LYS   3           HB2      LYS   3 -48.219  -6.397 -23.877
   14    HB3  LYS   3           HB1      LYS   3 -49.191  -6.055 -22.445
   15    HG2  LYS   3           HG2      LYS   3 -49.332  -3.671 -23.120
   16    HG3  LYS   3           HG1      LYS   3 -48.388  -4.032 -24.564
   17    HD2  LYS   3           HD2      LYS   3 -50.115  -5.505 -25.398
   18    HD3  LYS   3           HD1      LYS   3 -51.028  -5.352 -23.894
   19    HE2  LYS   3           HE2      LYS   3 -51.943  -3.880 -25.669
   20    HE3  LYS   3           HE1      LYS   3 -51.335  -2.951 -24.299
   21    HZ1  LYS   3           HZ1      LYS   3 -50.627  -2.075 -26.482
   22    HZ2  LYS   3           HZ2      LYS   3 -49.771  -3.516 -26.760
   23    HZ3  LYS   3           HZ3      LYS   3 -49.326  -2.492 -25.478
   24    H    THR   4           HN       THR   4 -46.822  -3.317 -24.006
   25    HA   THR   4           HA       THR   4 -44.927  -4.512 -25.740
   26    HB   THR   4           HB       THR   4 -46.380  -2.602 -26.372
   27    HG1  THR   4           HG1      THR   4 -43.593  -2.102 -26.509
   28   HG21  THR   4          HG21      THR   4 -46.003  -1.451 -24.104
   29   HG22  THR   4          HG22      THR   4 -46.023  -0.416 -25.530
   30   HG23  THR   4          HG23      THR   4 -44.487  -0.865 -24.789
   31    H    GLY   5           HN       GLY   5 -44.599  -2.261 -23.022
   32    HA2  GLY   5           HA2      GLY   5 -41.671  -2.352 -23.208
   33    HA3  GLY   5           HA1      GLY   5 -42.621  -1.326 -22.137
   34    H    THR   6           HN       THR   6 -40.684  -4.031 -22.285
   35    HA   THR   6           HA       THR   6 -41.909  -5.508 -20.093
   36    HB   THR   6           HB       THR   6 -39.973  -6.994 -20.340
   37    HG1  THR   6           HG1      THR   6 -39.102  -4.888 -21.996
   38   HG21  THR   6          HG21      THR   6 -41.951  -7.104 -21.920
   39   HG22  THR   6          HG22      THR   6 -40.456  -7.796 -22.550
   40   HG23  THR   6          HG23      THR   6 -40.978  -6.197 -23.079
   41    H    LYS   7           HN       LYS   7 -40.767  -5.910 -18.114
   42    HA   LYS   7           HA       LYS   7 -38.567  -4.190 -17.349
   43    HB2  LYS   7           HB2      LYS   7 -40.147  -2.508 -16.958
   44    HB3  LYS   7           HB1      LYS   7 -41.376  -3.653 -16.425
   45    HG2  LYS   7           HG2      LYS   7 -40.337  -3.976 -14.322
   46    HG3  LYS   7           HG1      LYS   7 -38.813  -3.260 -14.877
   47    HD2  LYS   7           HD2      LYS   7 -39.702  -1.070 -14.838
   48    HD3  LYS   7           HD1      LYS   7 -41.361  -1.650 -14.773
   49    HE2  LYS   7           HE2      LYS   7 -41.153  -2.340 -12.514
   50    HE3  LYS   7           HE1      LYS   7 -39.394  -2.274 -12.564
   51    HZ1  LYS   7           HZ1      LYS   7 -39.461   0.085 -12.693
   52    HZ2  LYS   7           HZ2      LYS   7 -40.464  -0.378 -11.402
   53    HZ3  LYS   7           HZ3      LYS   7 -41.146   0.098 -12.883
   54    H    ILE   8           HN       ILE   8 -37.606  -4.790 -15.379
   55    HA   ILE   8           HA       ILE   8 -38.807  -6.996 -13.875
   56    HB   ILE   8           HB       ILE   8 -37.470  -8.064 -15.676
   57   HG12  ILE   8          HG12      ILE   8 -36.098  -8.462 -13.008
   58   HG13  ILE   8          HG11      ILE   8 -37.766  -8.977 -13.269
   59   HG21  ILE   8          HG21      ILE   8 -35.030  -7.884 -15.581
   60   HG22  ILE   8          HG22      ILE   8 -35.141  -6.702 -14.287
   61   HG23  ILE   8          HG23      ILE   8 -35.748  -6.308 -15.896
   62   HD11  ILE   8          HD11      ILE   8 -37.145 -10.514 -14.967
   63   HD12  ILE   8          HD12      ILE   8 -35.929 -10.727 -13.707
   64   HD13  ILE   8          HD13      ILE   8 -35.548  -9.791 -15.153
   65    H    THR   9           HN       THR   9 -38.257  -7.066 -11.753
   66    HA   THR   9           HA       THR   9 -36.264  -5.085 -10.850
   67    HB   THR   9           HB       THR   9 -38.809  -5.828  -9.408
   68    HG1  THR   9           HG1      THR   9 -38.795  -4.475 -11.457
   69   HG21  THR   9          HG21      THR   9 -36.958  -5.154  -7.933
   70   HG22  THR   9          HG22      THR   9 -38.203  -3.908  -7.980
   71   HG23  THR   9          HG23      THR   9 -36.713  -3.700  -8.900
   72    H    PHE  10           HN       PHE  10 -34.815  -5.692  -9.349
   73    HA   PHE  10           HA       PHE  10 -34.967  -8.475  -8.333
   74    HB2  PHE  10           HB2      PHE  10 -32.477  -6.858  -8.902
   75    HB3  PHE  10           HB1      PHE  10 -32.565  -8.566  -8.476
   76    HD1  PHE  10           HD2      PHE  10 -33.710 -10.167 -10.079
   77    HD2  PHE  10           HD1      PHE  10 -32.707  -6.134 -11.146
   78    HE1  PHE  10           HE2      PHE  10 -33.928 -10.751 -12.478
   79    HE2  PHE  10           HE1      PHE  10 -32.922  -6.712 -13.548
   80    HZ   PHE  10           HZ       PHE  10 -33.532  -9.025 -14.211
   81    H    TYR  11           HN       TYR  11 -35.409  -8.446  -6.205
   82    HA   TYR  11           HA       TYR  11 -34.659  -6.113  -4.597
   83    HB2  TYR  11           HB2      TYR  11 -36.463  -8.484  -4.120
   84    HB3  TYR  11           HB1      TYR  11 -36.093  -7.290  -2.889
   85    HD1  TYR  11           HD2      TYR  11 -36.832  -4.971  -3.091
   86    HD2  TYR  11           HD1      TYR  11 -37.860  -7.901  -6.062
   87    HE1  TYR  11           HE2      TYR  11 -38.590  -3.461  -3.976
   88    HE2  TYR  11           HE1      TYR  11 -39.621  -6.394  -6.937
   89    HH   TYR  11           HH       TYR  11 -40.010  -3.817  -6.930
   90    H    GLU  12           HN       GLU  12 -33.243  -6.147  -2.989
   91    HA   GLU  12           HA       GLU  12 -31.209  -8.073  -2.958
   92    HB2  GLU  12           HB2      GLU  12 -31.356  -5.586  -2.002
   93    HB3  GLU  12           HB1      GLU  12 -31.709  -6.433  -0.504
   94    HG2  GLU  12           HG2      GLU  12 -29.299  -7.092  -2.225
   95    HG3  GLU  12           HG1      GLU  12 -29.261  -5.910  -0.930
   96    H    ASP  13           HN       ASP  13 -33.883  -7.517  -0.671
   97    HA   ASP  13           HA       ASP  13 -33.362 -10.136   0.550
   98    HB2  ASP  13           HB2      ASP  13 -35.029  -7.757   1.387
   99    HB3  ASP  13           HB1      ASP  13 -35.092  -9.312   2.215
  100    H    LYS  14           HN       LYS  14 -35.653 -10.980   1.397
  101    HA   LYS  14           HA       LYS  14 -37.039 -11.817  -1.004
  102    HB2  LYS  14           HB2      LYS  14 -37.224 -12.564   1.907
  103    HB3  LYS  14           HB1      LYS  14 -38.363 -13.177   0.708
  104    HG2  LYS  14           HG2      LYS  14 -36.616 -14.216  -0.557
  105    HG3  LYS  14           HG1      LYS  14 -35.368 -13.412   0.379
  106    HD2  LYS  14           HD2      LYS  14 -37.354 -15.254   1.714
  107    HD3  LYS  14           HD1      LYS  14 -35.919 -15.902   0.923
  108    HE2  LYS  14           HE2      LYS  14 -34.566 -14.253   2.348
  109    HE3  LYS  14           HE1      LYS  14 -36.045 -13.997   3.272
  110    HZ1  LYS  14           HZ1      LYS  14 -34.473 -16.474   2.957
  111    HZ2  LYS  14           HZ2      LYS  14 -36.101 -16.521   3.443
  112    HZ3  LYS  14           HZ3      LYS  14 -34.953 -15.696   4.386
  113    H    ASN  15           HN       ASN  15 -39.533 -12.150  -0.472
  114    HA   ASN  15           HA       ASN  15 -41.542 -11.070  -0.641
  115    HB2  ASN  15           HB2      ASN  15 -40.637  -9.548   1.802
  116    HB3  ASN  15           HB1      ASN  15 -42.264 -10.076   1.380
  117   HD21  ASN  15          HD21      ASN  15 -40.856 -12.741   0.477
  118   HD22  ASN  15          HD22      ASN  15 -40.663 -13.573   1.947
  119    H    PHE  16           HN       PHE  16 -39.143  -9.733  -1.868
  120    HA   PHE  16           HA       PHE  16 -38.721  -7.844  -3.048
  121    HB2  PHE  16           HB2      PHE  16 -41.430  -6.733  -2.405
  122    HB3  PHE  16           HB1      PHE  16 -40.508  -6.629  -3.906
  123    HD1  PHE  16           HD2      PHE  16 -40.080  -8.814  -5.188
  124    HD2  PHE  16           HD1      PHE  16 -43.054  -8.412  -2.124
  125    HE1  PHE  16           HE2      PHE  16 -41.253 -10.811  -6.068
  126    HE2  PHE  16           HE1      PHE  16 -44.227 -10.413  -2.998
  127    HZ   PHE  16           HZ       PHE  16 -43.325 -11.617  -4.964
  128    H    GLN  17           HN       GLN  17 -37.907  -7.871  -0.360
  129    HA   GLN  17           HA       GLN  17 -38.389  -5.109   0.576
  130    HB2  GLN  17           HB2      GLN  17 -37.467  -7.613   2.003
  131    HB3  GLN  17           HB1      GLN  17 -37.420  -6.008   2.733
  132    HG2  GLN  17           HG2      GLN  17 -39.822  -5.758   2.472
  133    HG3  GLN  17           HG1      GLN  17 -39.918  -7.277   1.578
  134   HE21  GLN  17          HE21      GLN  17 -38.926  -9.233   2.919
  135   HE22  GLN  17          HE22      GLN  17 -39.361  -9.277   4.565
  136    H    GLY  18           HN       GLY  18 -36.411  -4.336   1.893
  137    HA2  GLY  18           HA2      GLY  18 -34.227  -3.625   1.918
  138    HA3  GLY  18           HA1      GLY  18 -33.809  -5.114   1.081
  139    H    ARG  19           HN       ARG  19 -32.322  -3.909  -0.082
  140    HA   ARG  19           HA       ARG  19 -32.829  -1.672  -1.698
  141    HB2  ARG  19           HB2      ARG  19 -30.613  -3.326  -1.288
  142    HB3  ARG  19           HB1      ARG  19 -30.972  -3.554  -2.993
  143    HG2  ARG  19           HG2      ARG  19 -30.957  -1.105  -3.327
  144    HG3  ARG  19           HG1      ARG  19 -30.555  -0.888  -1.621
  145    HD2  ARG  19           HD2      ARG  19 -28.890  -2.422  -3.635
  146    HD3  ARG  19           HD1      ARG  19 -28.530  -0.805  -3.031
  147    HE   ARG  19           HE       ARG  19 -28.123  -3.301  -1.625
  148   HH11  ARG  19          HH21      ARG  19 -28.691   0.101  -1.385
  149   HH12  ARG  19          HH22      ARG  19 -27.948   0.258   0.171
  150   HH21  ARG  19          HH11      ARG  19 -27.149  -3.108   0.418
  151   HH22  ARG  19          HH12      ARG  19 -27.073  -1.562   1.192
  152    H    ARG  20           HN       ARG  20 -32.708  -1.860  -4.282
  153    HA   ARG  20           HA       ARG  20 -33.950  -4.094  -5.464
  154    HB2  ARG  20           HB2      ARG  20 -36.126  -3.237  -5.967
  155    HB3  ARG  20           HB1      ARG  20 -35.905  -3.126  -4.223
  156    HG2  ARG  20           HG2      ARG  20 -36.521  -0.929  -4.456
  157    HG3  ARG  20           HG1      ARG  20 -34.898  -0.677  -5.087
  158    HD2  ARG  20           HD2      ARG  20 -35.829  -1.244  -7.387
  159    HD3  ARG  20           HD1      ARG  20 -37.428  -1.192  -6.665
  160    HE   ARG  20           HE       ARG  20 -37.247   1.134  -6.474
  161   HH11  ARG  20          HH21      ARG  20 -34.259  -0.326  -7.434
  162   HH12  ARG  20          HH22      ARG  20 -33.501   1.175  -7.847
  163   HH21  ARG  20          HH11      ARG  20 -36.256   3.104  -7.006
  164   HH22  ARG  20          HH12      ARG  20 -34.631   3.117  -7.605
  165    H    TYR  21           HN       TYR  21 -34.060  -3.866  -7.759
  166    HA   TYR  21           HA       TYR  21 -33.040  -1.318  -8.869
  167    HB2  TYR  21           HB2      TYR  21 -31.163  -3.003  -8.625
  168    HB3  TYR  21           HB1      TYR  21 -32.048  -4.047  -9.739
  169    HD1  TYR  21           HD1      TYR  21 -30.788  -0.540  -9.409
  170    HD2  TYR  21           HD2      TYR  21 -31.737  -3.781 -12.060
  171    HE1  TYR  21           HE1      TYR  21 -29.877   0.755 -11.314
  172    HE2  TYR  21           HE2      TYR  21 -30.826  -2.484 -13.967
  173    HH   TYR  21           HH       TYR  21 -28.940  -0.435 -14.063
  174    H    ASP  22           HN       ASP  22 -34.115  -0.725 -10.701
  175    HA   ASP  22           HA       ASP  22 -35.928  -2.729 -11.945
  176    HB2  ASP  22           HB2      ASP  22 -37.463  -0.866 -12.419
  177    HB3  ASP  22           HB1      ASP  22 -37.193  -1.046 -10.686
  178    H    CYS  23           HN       CYS  23 -35.960  -2.853 -14.157
  179    HA   CYS  23           HA       CYS  23 -34.580  -0.835 -15.761
  180    HB2  CYS  23           HB2      CYS  23 -32.882  -2.576 -15.042
  181    HB3  CYS  23           HB1      CYS  23 -33.809  -3.751 -15.972
  182    HG   CYS  23           HG       CYS  23 -31.925  -1.693 -17.145
  183    H    ASP  24           HN       ASP  24 -35.355  -0.684 -17.810
  184    HA   ASP  24           HA       ASP  24 -37.462  -2.586 -18.641
  185    HB2  ASP  24           HB2      ASP  24 -38.536  -0.533 -17.991
  186    HB3  ASP  24           HB1      ASP  24 -37.357   0.431 -18.874
  187    H    CYS  25           HN       CYS  25 -34.422  -2.023 -19.238
  188    HA   CYS  25           HA       CYS  25 -34.683  -2.541 -22.110
  189    HB2  CYS  25           HB2      CYS  25 -34.350   0.023 -21.502
  190    HB3  CYS  25           HB1      CYS  25 -32.667  -0.460 -21.339
  191    HG   CYS  25           HG       CYS  25 -34.252  -1.025 -23.982
  192    H    ASP  26           HN       ASP  26 -32.955  -3.689 -22.979
  193    HA   ASP  26           HA       ASP  26 -31.609  -5.545 -21.579
  194    HB2  ASP  26           HB2      ASP  26 -30.580  -3.986 -23.959
  195    HB3  ASP  26           HB1      ASP  26 -29.844  -5.472 -23.358
  196    H    CYS  27           HN       CYS  27 -29.431  -5.767 -20.771
  197    HA   CYS  27           HA       CYS  27 -27.899  -3.369 -20.196
  198    HB2  CYS  27           HB2      CYS  27 -29.622  -4.704 -18.162
  199    HB3  CYS  27           HB1      CYS  27 -28.020  -4.185 -17.632
  200    HG   CYS  27           HG       CYS  27 -28.636  -1.740 -18.282
  201    H    ALA  28           HN       ALA  28 -25.841  -3.892 -19.100
  202    HA   ALA  28           HA       ALA  28 -24.862  -6.512 -20.000
  203    HB1  ALA  28           HB1      ALA  28 -22.622  -5.505 -19.422
  204    HB2  ALA  28           HB2      ALA  28 -23.471  -4.001 -19.062
  205    HB3  ALA  28           HB3      ALA  28 -23.510  -4.667 -20.695
  206    H    ASP  29           HN       ASP  29 -24.554  -4.468 -17.095
  207    HA   ASP  29           HA       ASP  29 -24.873  -6.802 -15.369
  208    HB2  ASP  29           HB2      ASP  29 -22.760  -6.471 -14.196
  209    HB3  ASP  29           HB1      ASP  29 -22.465  -6.815 -15.903
  210    H    PHE  30           HN       PHE  30 -26.388  -6.095 -14.038
  211    HA   PHE  30           HA       PHE  30 -26.283  -3.320 -13.027
  212    HB2  PHE  30           HB2      PHE  30 -28.581  -3.379 -12.807
  213    HB3  PHE  30           HB1      PHE  30 -28.405  -4.563 -14.100
  214    HD1  PHE  30           HD2      PHE  30 -28.360  -7.012 -13.516
  215    HD2  PHE  30           HD1      PHE  30 -29.401  -3.996 -10.664
  216    HE1  PHE  30           HE2      PHE  30 -29.410  -8.741 -12.077
  217    HE2  PHE  30           HE1      PHE  30 -30.458  -5.707  -9.225
  218    HZ   PHE  30           HZ       PHE  30 -30.464  -8.085  -9.930
  219    H    HIS  31           HN       HIS  31 -24.899  -6.038 -12.197
  220    HA   HIS  31           HA       HIS  31 -25.722  -6.628  -9.575
  221    HB2  HIS  31           HB2      HIS  31 -24.218  -8.108 -10.813
  222    HB3  HIS  31           HB1      HIS  31 -22.961  -6.861 -10.794
  223    HD2  HIS  31           HD2      HIS  31 -21.441  -6.802  -8.465
  224    HE1  HIS  31           HE1      HIS  31 -23.816  -9.436  -6.174
  225    HE2  HIS  31           HE2      HIS  31 -21.650  -8.113  -6.215
  226    H    THR  32           HN       THR  32 -23.844  -4.061 -10.891
  227    HA   THR  32           HA       THR  32 -22.505  -3.248  -8.541
  228    HB   THR  32           HB       THR  32 -22.320  -1.028  -9.645
  229    HG1  THR  32           HG1      THR  32 -23.750  -0.545 -11.078
  230   HG21  THR  32          HG21      THR  32 -20.764  -2.872 -10.187
  231   HG22  THR  32          HG22      THR  32 -21.050  -1.835 -11.584
  232   HG23  THR  32          HG23      THR  32 -21.852  -3.400 -11.470
  233    H    TYR  33           HN       TYR  33 -25.776  -2.758  -9.661
  234    HA   TYR  33           HA       TYR  33 -26.373  -0.756  -7.626
  235    HB2  TYR  33           HB2      TYR  33 -28.153  -2.149  -9.629
  236    HB3  TYR  33           HB1      TYR  33 -28.620  -0.802  -8.598
  237    HD1  TYR  33           HD2      TYR  33 -27.041   1.320  -8.707
  238    HD2  TYR  33           HD1      TYR  33 -27.316  -1.679 -11.769
  239    HE1  TYR  33           HE2      TYR  33 -26.108   2.920 -10.359
  240    HE2  TYR  33           HE1      TYR  33 -26.377  -0.083 -13.419
  241    HH   TYR  33           HH       TYR  33 -25.376   1.911 -13.683
  242    H    LEU  34           HN       LEU  34 -26.327  -4.140  -7.848
  243    HA   LEU  34           HA       LEU  34 -27.778  -4.350  -5.307
  244    HB2  LEU  34           HB2      LEU  34 -29.334  -4.815  -7.298
  245    HB3  LEU  34           HB1      LEU  34 -28.380  -6.266  -7.558
  246    HG   LEU  34           HG       LEU  34 -28.850  -6.929  -5.200
  247   HD11  LEU  34          HD11      LEU  34 -29.439  -5.149  -3.885
  248   HD12  LEU  34          HD12      LEU  34 -31.067  -5.605  -4.370
  249   HD13  LEU  34          HD13      LEU  34 -30.235  -4.293  -5.204
  250   HD21  LEU  34          HD21      LEU  34 -31.363  -7.357  -5.618
  251   HD22  LEU  34          HD22      LEU  34 -30.229  -7.980  -6.817
  252   HD23  LEU  34          HD23      LEU  34 -31.116  -6.491  -7.128
  253    H    SER  35           HN       SER  35 -26.938  -5.869  -3.940
  254    HA   SER  35           HA       SER  35 -24.499  -7.251  -4.882
  255    HB2  SER  35           HB2      SER  35 -25.493  -6.504  -2.137
  256    HB3  SER  35           HB1      SER  35 -24.092  -7.536  -2.409
  257    HG   SER  35           HG       SER  35 -23.296  -5.499  -2.305
  258    H    ARG  36           HN       ARG  36 -27.744  -7.867  -4.233
  259    HA   ARG  36           HA       ARG  36 -27.291 -10.735  -4.380
  260    HB2  ARG  36           HB2      ARG  36 -27.260  -9.996  -1.889
  261    HB3  ARG  36           HB1      ARG  36 -28.989  -9.724  -2.105
  262    HG2  ARG  36           HG2      ARG  36 -29.182 -12.082  -2.957
  263    HG3  ARG  36           HG1      ARG  36 -27.494 -12.325  -2.495
  264    HD2  ARG  36           HD2      ARG  36 -29.801 -11.606  -0.674
  265    HD3  ARG  36           HD1      ARG  36 -28.872 -13.100  -0.673
  266    HE   ARG  36           HE       ARG  36 -27.245 -10.760  -0.240
  267   HH11  ARG  36          HH21      ARG  36 -29.340 -13.111   1.195
  268   HH12  ARG  36          HH22      ARG  36 -28.689 -12.920   2.788
  269   HH21  ARG  36          HH11      ARG  36 -26.387 -10.504   1.847
  270   HH22  ARG  36          HH12      ARG  36 -27.017 -11.444   3.158
  271    H    CYS  37           HN       CYS  37 -29.040 -11.815  -5.251
  272    HA   CYS  37           HA       CYS  37 -31.325 -10.109  -6.079
  273    HB2  CYS  37           HB2      CYS  37 -30.533 -12.693  -7.387
  274    HB3  CYS  37           HB1      CYS  37 -31.405 -11.319  -8.071
  275    HG   CYS  37           HG       CYS  37 -29.227 -10.377  -8.761
  276    H    ASN  38           HN       ASN  38 -32.870 -10.411  -4.631
  277    HA   ASN  38           HA       ASN  38 -33.844 -13.154  -4.130
  278    HB2  ASN  38           HB2      ASN  38 -33.705 -10.844  -2.186
  279    HB3  ASN  38           HB1      ASN  38 -34.563 -12.347  -1.889
  280   HD21  ASN  38          HD21      ASN  38 -32.620 -11.862  -0.067
  281   HD22  ASN  38          HD22      ASN  38 -31.236 -12.807  -0.362
  282    H    SER  39           HN       SER  39 -36.120 -13.206  -3.786
  283    HA   SER  39           HA       SER  39 -38.154 -12.850  -4.784
  284    HB2  SER  39           HB2      SER  39 -39.238 -10.778  -3.782
  285    HB3  SER  39           HB1      SER  39 -38.595 -11.963  -2.673
  286    HG   SER  39           HG       SER  39 -38.020  -9.468  -2.674
  287    H    ILE  40           HN       ILE  40 -39.036 -12.291  -6.584
  288    HA   ILE  40           HA       ILE  40 -38.242  -9.770  -7.929
  289    HB   ILE  40           HB       ILE  40 -37.867 -12.561  -8.991
  290   HG12  ILE  40          HG12      ILE  40 -36.002 -10.218  -9.348
  291   HG13  ILE  40          HG11      ILE  40 -36.018 -11.080  -7.817
  292   HG21  ILE  40          HG21      ILE  40 -38.311 -10.017 -10.547
  293   HG22  ILE  40          HG22      ILE  40 -39.019 -11.611 -10.812
  294   HG23  ILE  40          HG23      ILE  40 -37.327 -11.320 -11.212
  295   HD11  ILE  40          HD11      ILE  40 -35.300 -12.122 -10.558
  296   HD12  ILE  40          HD12      ILE  40 -35.717 -13.226  -9.246
  297   HD13  ILE  40          HD13      ILE  40 -34.332 -12.158  -9.087
  298    H    LYS  41           HN       LYS  41 -39.735  -8.903  -9.288
  299    HA   LYS  41           HA       LYS  41 -42.072 -10.458 -10.098
  300    HB2  LYS  41           HB2      LYS  41 -43.559  -8.534  -9.167
  301    HB3  LYS  41           HB1      LYS  41 -43.020  -9.811  -8.083
  302    HG2  LYS  41           HG2      LYS  41 -41.381  -8.472  -7.103
  303    HG3  LYS  41           HG1      LYS  41 -41.388  -7.317  -8.413
  304    HD2  LYS  41           HD2      LYS  41 -42.555  -6.597  -6.239
  305    HD3  LYS  41           HD1      LYS  41 -43.454  -6.373  -7.737
  306    HE2  LYS  41           HE2      LYS  41 -44.890  -8.168  -7.297
  307    HE3  LYS  41           HE1      LYS  41 -43.769  -8.930  -6.168
  308    HZ1  LYS  41           HZ1      LYS  41 -45.797  -7.001  -5.663
  309    HZ2  LYS  41           HZ2      LYS  41 -44.288  -6.450  -5.112
  310    HZ3  LYS  41           HZ3      LYS  41 -44.904  -7.934  -4.565
  311    H    VAL  42           HN       VAL  42 -41.823 -10.055 -12.249
  312    HA   VAL  42           HA       VAL  42 -40.916  -7.619 -13.280
  313    HB   VAL  42           HB       VAL  42 -42.267 -10.074 -14.349
  314   HG11  VAL  42          HG11      VAL  42 -41.759  -8.925 -16.672
  315   HG12  VAL  42          HG12      VAL  42 -41.988  -7.450 -15.769
  316   HG13  VAL  42          HG13      VAL  42 -43.267  -8.619 -15.846
  317   HG21  VAL  42          HG21      VAL  42 -40.176 -10.411 -15.481
  318   HG22  VAL  42          HG22      VAL  42 -39.800  -9.969 -13.817
  319   HG23  VAL  42          HG23      VAL  42 -39.636  -8.779 -15.104
  320    H    GLU  43           HN       GLU  43 -41.986  -5.994 -14.310
  321    HA   GLU  43           HA       GLU  43 -44.879  -5.729 -13.759
  322    HB2  GLU  43           HB2      GLU  43 -42.719  -3.606 -13.773
  323    HB3  GLU  43           HB1      GLU  43 -44.440  -3.310 -13.541
  324    HG2  GLU  43           HG2      GLU  43 -44.396  -4.833 -11.567
  325    HG3  GLU  43           HG1      GLU  43 -42.658  -4.995 -11.768
  326    H    GLY  44           HN       GLY  44 -44.187  -6.972 -16.077
  327    HA2  GLY  44           HA2      GLY  44 -45.216  -5.177 -18.058
  328    HA3  GLY  44           HA1      GLY  44 -43.504  -5.486 -18.305
  329    H    GLY  45           HN       GLY  45 -42.824  -7.483 -19.050
  330    HA2  GLY  45           HA2      GLY  45 -44.879  -9.537 -19.630
  331    HA3  GLY  45           HA1      GLY  45 -43.851  -8.926 -20.924
  332    H    THR  46           HN       THR  46 -42.672 -10.765 -21.384
  333    HA   THR  46           HA       THR  46 -41.515 -12.351 -19.262
  334    HB   THR  46           HB       THR  46 -41.198 -12.496 -22.263
  335    HG1  THR  46           HG1      THR  46 -42.808 -13.832 -20.367
  336   HG21  THR  46          HG21      THR  46 -39.303 -13.611 -21.400
  337   HG22  THR  46          HG22      THR  46 -40.487 -14.898 -21.607
  338   HG23  THR  46          HG23      THR  46 -40.193 -14.225 -20.006
  339    H    TRP  47           HN       TRP  47 -39.146 -12.925 -19.379
  340    HA   TRP  47           HA       TRP  47 -37.364 -10.860 -20.387
  341    HB2  TRP  47           HB2      TRP  47 -38.089 -11.129 -17.511
  342    HB3  TRP  47           HB1      TRP  47 -36.393 -10.837 -17.874
  343    HD1  TRP  47           HD1      TRP  47 -39.633  -9.181 -17.487
  344    HE1  TRP  47           HE1      TRP  47 -39.416  -6.672 -18.020
  345    HE3  TRP  47           HE3      TRP  47 -35.105  -9.159 -19.791
  346    HZ2  TRP  47           HZ2      TRP  47 -37.621  -4.908 -19.362
  347    HZ3  TRP  47           HZ3      TRP  47 -34.165  -7.060 -20.709
  348    HH2  TRP  47           HH2      TRP  47 -35.419  -4.934 -20.499
  349    H    ALA  48           HN       ALA  48 -35.175 -11.411 -20.189
  350    HA   ALA  48           HA       ALA  48 -34.629 -14.282 -19.703
  351    HB1  ALA  48           HB1      ALA  48 -32.674 -13.806 -21.333
  352    HB2  ALA  48           HB2      ALA  48 -33.570 -12.354 -21.779
  353    HB3  ALA  48           HB3      ALA  48 -34.288 -13.944 -22.025
  354    H    VAL  49           HN       VAL  49 -33.367 -14.573 -17.998
  355    HA   VAL  49           HA       VAL  49 -31.549 -12.369 -17.158
  356    HB   VAL  49           HB       VAL  49 -31.821 -13.421 -14.848
  357   HG11  VAL  49          HG11      VAL  49 -33.877 -12.193 -14.416
  358   HG12  VAL  49          HG12      VAL  49 -34.318 -12.267 -16.121
  359   HG13  VAL  49          HG13      VAL  49 -32.933 -11.303 -15.611
  360   HG21  VAL  49          HG21      VAL  49 -34.277 -14.628 -16.146
  361   HG22  VAL  49          HG22      VAL  49 -33.759 -14.815 -14.469
  362   HG23  VAL  49          HG23      VAL  49 -32.825 -15.547 -15.768
  363    H    TYR  50           HN       TYR  50 -29.457 -12.814 -16.965
  364    HA   TYR  50           HA       TYR  50 -28.566 -15.609 -17.357
  365    HB2  TYR  50           HB2      TYR  50 -27.156 -12.960 -17.779
  366    HB3  TYR  50           HB1      TYR  50 -26.385 -14.536 -17.959
  367    HD1  TYR  50           HD1      TYR  50 -29.045 -12.313 -19.282
  368    HD2  TYR  50           HD2      TYR  50 -26.796 -15.923 -19.876
  369    HE1  TYR  50           HE1      TYR  50 -29.938 -12.491 -21.589
  370    HE2  TYR  50           HE2      TYR  50 -27.688 -16.101 -22.181
  371    HH   TYR  50           HH       TYR  50 -30.325 -14.439 -23.263
  372    H    GLU  51           HN       GLU  51 -28.194 -16.587 -15.478
  373    HA   GLU  51           HA       GLU  51 -27.943 -15.685 -12.960
  374    HB2  GLU  51           HB2      GLU  51 -27.824 -18.069 -13.628
  375    HB3  GLU  51           HB1      GLU  51 -26.158 -17.821 -14.139
  376    HG2  GLU  51           HG2      GLU  51 -25.558 -17.150 -11.828
  377    HG3  GLU  51           HG1      GLU  51 -27.229 -17.422 -11.333
  378    H    ARG  52           HN       ARG  52 -25.423 -15.558 -15.411
  379    HA   ARG  52           HA       ARG  52 -23.664 -14.137 -13.503
  380    HB2  ARG  52           HB2      ARG  52 -22.925 -15.692 -15.973
  381    HB3  ARG  52           HB1      ARG  52 -21.803 -14.842 -14.906
  382    HG2  ARG  52           HG2      ARG  52 -22.679 -16.228 -13.000
  383    HG3  ARG  52           HG1      ARG  52 -23.602 -17.166 -14.171
  384    HD2  ARG  52           HD2      ARG  52 -20.598 -16.857 -14.059
  385    HD3  ARG  52           HD1      ARG  52 -21.517 -18.316 -13.716
  386    HE   ARG  52           HE       ARG  52 -21.912 -17.239 -16.384
  387   HH11  ARG  52          HH21      ARG  52 -20.098 -19.322 -14.303
  388   HH12  ARG  52          HH22      ARG  52 -19.544 -20.350 -15.584
  389   HH21  ARG  52          HH11      ARG  52 -21.186 -18.584 -18.074
  390   HH22  ARG  52          HH12      ARG  52 -20.159 -19.932 -17.716
  391    HA   PRO  53           HA       PRO  53 -24.352 -10.521 -16.082
  392    HB2  PRO  53           HB2      PRO  53 -21.667  -9.591 -15.234
  393    HB3  PRO  53           HB1      PRO  53 -23.245  -8.828 -15.006
  394    HG2  PRO  53           HG2      PRO  53 -21.821 -10.018 -13.006
  395    HG3  PRO  53           HG1      PRO  53 -23.577  -9.815 -12.992
  396    HD2  PRO  53           HD2      PRO  53 -21.984 -12.283 -13.412
  397    HD3  PRO  53           HD1      PRO  53 -23.665 -12.085 -12.862
  398    H    ASN  54           HN       ASN  54 -23.408  -9.444 -17.893
  399    HA   ASN  54           HA       ASN  54 -22.096  -9.221 -19.772
  400    HB2  ASN  54           HB2      ASN  54 -20.549 -11.716 -19.114
  401    HB3  ASN  54           HB1      ASN  54 -20.042 -10.300 -20.022
  402   HD21  ASN  54          HD21      ASN  54 -21.357  -8.530 -17.866
  403   HD22  ASN  54          HD22      ASN  54 -20.227  -8.531 -16.599
  404    H    PHE  55           HN       PHE  55 -24.077 -11.731 -18.882
  405    HA   PHE  55           HA       PHE  55 -25.582 -12.894 -20.175
  406    HB2  PHE  55           HB2      PHE  55 -23.903 -12.461 -22.641
  407    HB3  PHE  55           HB1      PHE  55 -25.613 -12.840 -22.521
  408    HD1  PHE  55           HD2      PHE  55 -26.893 -11.086 -20.824
  409    HD2  PHE  55           HD1      PHE  55 -23.469 -10.234 -23.277
  410    HE1  PHE  55           HE2      PHE  55 -27.470  -8.681 -20.788
  411    HE2  PHE  55           HE1      PHE  55 -24.048  -7.820 -23.236
  412    HZ   PHE  55           HZ       PHE  55 -26.051  -7.046 -21.995
  413    H    ALA  56           HN       ALA  56 -24.119 -14.276 -18.648
  414    HA   ALA  56           HA       ALA  56 -23.351 -16.629 -20.227
  415    HB1  ALA  56           HB1      ALA  56 -21.548 -15.396 -18.128
  416    HB2  ALA  56           HB2      ALA  56 -21.233 -15.430 -19.863
  417    HB3  ALA  56           HB3      ALA  56 -21.278 -16.935 -18.946
  418    H    GLY  57           HN       GLY  57 -22.900 -18.507 -18.651
  419    HA2  GLY  57           HA2      GLY  57 -23.453 -19.735 -16.746
  420    HA3  GLY  57           HA1      GLY  57 -24.232 -18.306 -16.078
  421    H    TYR  58           HN       TYR  58 -25.958 -19.727 -15.443
  422    HA   TYR  58           HA       TYR  58 -27.473 -21.230 -17.292
  423    HB2  TYR  58           HB2      TYR  58 -28.190 -20.086 -14.593
  424    HB3  TYR  58           HB1      TYR  58 -29.230 -21.164 -15.496
  425    HD1  TYR  58           HD1      TYR  58 -25.651 -21.898 -15.913
  426    HD2  TYR  58           HD2      TYR  58 -29.084 -22.552 -13.403
  427    HE1  TYR  58           HE1      TYR  58 -24.536 -23.836 -14.903
  428    HE2  TYR  58           HE2      TYR  58 -27.950 -24.516 -12.401
  429    HH   TYR  58           HH       TYR  58 -26.195 -26.064 -12.869
  430    H    MET  59           HN       MET  59 -29.270 -20.750 -18.470
  431    HA   MET  59           HA       MET  59 -29.973 -17.878 -18.698
  432    HB2  MET  59           HB2      MET  59 -30.371 -20.093 -20.719
  433    HB3  MET  59           HB1      MET  59 -30.581 -18.362 -20.984
  434    HG2  MET  59           HG2      MET  59 -28.435 -18.750 -21.854
  435    HG3  MET  59           HG1      MET  59 -28.079 -18.196 -20.218
  436    HE1  MET  59           HE1      MET  59 -25.402 -20.929 -21.039
  437    HE2  MET  59           HE2      MET  59 -25.754 -19.210 -20.880
  438    HE3  MET  59           HE3      MET  59 -26.268 -20.078 -22.325
  439    H    TYR  60           HN       TYR  60 -31.525 -17.952 -17.000
  440    HA   TYR  60           HA       TYR  60 -33.873 -19.685 -17.391
  441    HB2  TYR  60           HB2      TYR  60 -32.793 -19.316 -15.104
  442    HB3  TYR  60           HB1      TYR  60 -33.436 -17.684 -15.167
  443    HD1  TYR  60           HD1      TYR  60 -34.276 -21.262 -14.948
  444    HD2  TYR  60           HD2      TYR  60 -35.840 -17.262 -15.052
  445    HE1  TYR  60           HE1      TYR  60 -36.481 -22.100 -14.173
  446    HE2  TYR  60           HE2      TYR  60 -38.040 -18.110 -14.277
  447    HH   TYR  60           HH       TYR  60 -38.536 -21.558 -13.557
  448    H    ILE  61           HN       ILE  61 -35.797 -18.931 -18.086
  449    HA   ILE  61           HA       ILE  61 -35.930 -16.102 -18.941
  450    HB   ILE  61           HB       ILE  61 -37.535 -18.534 -19.757
  451   HG12  ILE  61          HG12      ILE  61 -36.440 -18.036 -21.974
  452   HG13  ILE  61          HG11      ILE  61 -35.453 -16.829 -21.155
  453   HG21  ILE  61          HG21      ILE  61 -39.052 -16.722 -19.913
  454   HG22  ILE  61          HG22      ILE  61 -38.374 -16.858 -21.536
  455   HG23  ILE  61          HG23      ILE  61 -37.795 -15.602 -20.442
  456   HD11  ILE  61          HD11      ILE  61 -34.643 -19.381 -21.487
  457   HD12  ILE  61          HD12      ILE  61 -35.472 -19.565 -19.948
  458   HD13  ILE  61          HD13      ILE  61 -34.150 -18.407 -20.106
  459    H    LEU  62           HN       LEU  62 -36.533 -15.162 -16.941
  460    HA   LEU  62           HA       LEU  62 -38.659 -16.185 -15.356
  461    HB2  LEU  62           HB2      LEU  62 -36.744 -14.025 -15.227
  462    HB3  LEU  62           HB1      LEU  62 -38.337 -13.402 -14.808
  463    HG   LEU  62           HG       LEU  62 -37.227 -15.939 -13.557
  464   HD11  LEU  62          HD11      LEU  62 -36.737 -14.369 -11.586
  465   HD12  LEU  62          HD12      LEU  62 -36.848 -13.050 -12.752
  466   HD13  LEU  62          HD13      LEU  62 -35.618 -14.300 -12.950
  467   HD21  LEU  62          HD21      LEU  62 -39.028 -15.797 -12.106
  468   HD22  LEU  62          HD22      LEU  62 -39.765 -15.066 -13.531
  469   HD23  LEU  62          HD23      LEU  62 -39.149 -14.043 -12.234
  470    HA   PRO  63           HA       PRO  63 -41.709 -14.344 -18.164
  471    HB2  PRO  63           HB2      PRO  63 -43.860 -15.828 -17.490
  472    HB3  PRO  63           HB1      PRO  63 -42.527 -16.485 -18.462
  473    HG2  PRO  63           HG2      PRO  63 -43.150 -16.892 -15.578
  474    HG3  PRO  63           HG1      PRO  63 -42.480 -18.031 -16.761
  475    HD2  PRO  63           HD2      PRO  63 -40.977 -16.579 -14.868
  476    HD3  PRO  63           HD1      PRO  63 -40.330 -17.398 -16.298
  477    H    GLN  64           HN       GLN  64 -43.722 -13.114 -17.934
  478    HA   GLN  64           HA       GLN  64 -43.758 -11.275 -15.859
  479    HB2  GLN  64           HB2      GLN  64 -45.069 -11.378 -18.161
  480    HB3  GLN  64           HB1      GLN  64 -46.351 -12.075 -17.171
  481    HG2  GLN  64           HG2      GLN  64 -45.062  -9.359 -16.886
  482    HG3  GLN  64           HG1      GLN  64 -46.749  -9.723 -17.205
  483   HE21  GLN  64          HE21      GLN  64 -44.575  -8.973 -14.692
  484   HE22  GLN  64          HE22      GLN  64 -45.550  -9.459 -13.391
  485    H    GLY  65           HN       GLY  65 -44.027 -11.663 -13.736
  486    HA2  GLY  65           HA2      GLY  65 -46.352 -12.654 -12.591
  487    HA3  GLY  65           HA1      GLY  65 -45.240 -14.015 -12.690
  488    H    GLU  66           HN       GLU  66 -45.891 -13.453 -10.219
  489    HA   GLU  66           HA       GLU  66 -43.914 -11.602  -9.079
  490    HB2  GLU  66           HB2      GLU  66 -46.317 -12.995  -7.885
  491    HB3  GLU  66           HB1      GLU  66 -45.195 -11.987  -6.966
  492    HG2  GLU  66           HG2      GLU  66 -45.691 -10.071  -8.399
  493    HG3  GLU  66           HG1      GLU  66 -46.740 -11.068  -9.403
  494    H    TYR  67           HN       TYR  67 -42.545 -12.273  -7.382
  495    HA   TYR  67           HA       TYR  67 -42.243 -15.118  -6.865
  496    HB2  TYR  67           HB2      TYR  67 -39.911 -13.520  -7.939
  497    HB3  TYR  67           HB1      TYR  67 -39.886 -15.183  -7.431
  498    HD1  TYR  67           HD1      TYR  67 -41.561 -12.914  -9.940
  499    HD2  TYR  67           HD2      TYR  67 -40.455 -16.931  -8.908
  500    HE1  TYR  67           HE1      TYR  67 -42.326 -13.688 -12.144
  501    HE2  TYR  67           HE2      TYR  67 -41.230 -17.703 -11.121
  502    HH   TYR  67           HH       TYR  67 -42.615 -15.411 -13.475
  503    HA   PRO  68           HA       PRO  68 -41.729 -12.475  -3.136
  504    HB2  PRO  68           HB2      PRO  68 -42.561 -14.360  -1.310
  505    HB3  PRO  68           HB1      PRO  68 -43.651 -13.278  -2.193
  506    HG2  PRO  68           HG2      PRO  68 -42.981 -16.135  -2.714
  507    HG3  PRO  68           HG1      PRO  68 -44.535 -15.292  -2.862
  508    HD2  PRO  68           HD2      PRO  68 -42.966 -15.900  -5.002
  509    HD3  PRO  68           HD1      PRO  68 -44.054 -14.493  -4.985
  510    H    GLU  69           HN       GLU  69 -40.243 -15.392  -4.076
  511    HA   GLU  69           HA       GLU  69 -37.961 -14.749  -2.378
  512    HB2  GLU  69           HB2      GLU  69 -39.405 -17.407  -2.262
  513    HB3  GLU  69           HB1      GLU  69 -37.778 -17.144  -1.640
  514    HG2  GLU  69           HG2      GLU  69 -38.683 -15.323  -0.188
  515    HG3  GLU  69           HG1      GLU  69 -40.304 -15.728  -0.747
  516    H    TYR  70           HN       TYR  70 -36.031 -15.989  -3.052
  517    HA   TYR  70           HA       TYR  70 -35.774 -16.010  -5.862
  518    HB2  TYR  70           HB2      TYR  70 -33.554 -17.023  -5.426
  519    HB3  TYR  70           HB1      TYR  70 -33.860 -15.613  -4.413
  520    HD1  TYR  70           HD2      TYR  70 -34.521 -15.897  -2.032
  521    HD2  TYR  70           HD1      TYR  70 -33.336 -19.224  -4.478
  522    HE1  TYR  70           HE2      TYR  70 -34.190 -17.271   0.003
  523    HE2  TYR  70           HE1      TYR  70 -33.003 -20.600  -2.442
  524    HH   TYR  70           HH       TYR  70 -33.309 -19.198   0.797
  525    H    GLN  71           HN       GLN  71 -35.786 -18.713  -3.555
  526    HA   GLN  71           HA       GLN  71 -35.541 -20.886  -5.201
  527    HB2  GLN  71           HB2      GLN  71 -37.164 -22.056  -3.584
  528    HB3  GLN  71           HB1      GLN  71 -35.690 -21.348  -2.915
  529    HG2  GLN  71           HG2      GLN  71 -36.924 -19.342  -2.253
  530    HG3  GLN  71           HG1      GLN  71 -38.399 -19.993  -2.970
  531   HE21  GLN  71          HE21      GLN  71 -37.356 -22.778  -1.936
  532   HE22  GLN  71          HE22      GLN  71 -37.841 -22.772  -0.303
  533    H    ARG  72           HN       ARG  72 -37.971 -18.597  -5.485
  534    HA   ARG  72           HA       ARG  72 -40.066 -20.310  -6.432
  535    HB2  ARG  72           HB2      ARG  72 -39.622 -17.349  -6.810
  536    HB3  ARG  72           HB1      ARG  72 -41.141 -18.199  -7.079
  537    HG2  ARG  72           HG2      ARG  72 -39.741 -18.251  -4.406
  538    HG3  ARG  72           HG1      ARG  72 -40.847 -16.951  -4.837
  539    HD2  ARG  72           HD2      ARG  72 -42.617 -18.641  -5.271
  540    HD3  ARG  72           HD1      ARG  72 -41.516 -19.910  -4.747
  541    HE   ARG  72           HE       ARG  72 -42.819 -17.920  -3.041
  542   HH11  ARG  72          HH21      ARG  72 -40.441 -20.412  -3.416
  543   HH12  ARG  72          HH22      ARG  72 -40.354 -20.771  -1.725
  544   HH21  ARG  72          HH11      ARG  72 -42.702 -18.389  -0.823
  545   HH22  ARG  72          HH12      ARG  72 -41.631 -19.628  -0.259
  546    H    TRP  73           HN       TRP  73 -37.103 -19.481  -7.723
  547    HA   TRP  73           HA       TRP  73 -38.097 -19.751 -10.527
  548    HB2  TRP  73           HB2      TRP  73 -36.035 -18.571 -11.220
  549    HB3  TRP  73           HB1      TRP  73 -37.074 -17.579 -10.204
  550    HD1  TRP  73           HD1      TRP  73 -35.283 -20.048  -8.103
  551    HE1  TRP  73           HE1      TRP  73 -33.345 -18.977  -6.891
  552    HE3  TRP  73           HE3      TRP  73 -35.011 -15.671 -10.683
  553    HZ2  TRP  73           HZ2      TRP  73 -31.847 -16.583  -6.978
  554    HZ3  TRP  73           HZ3      TRP  73 -33.277 -14.007 -10.087
  555    HH2  TRP  73           HH2      TRP  73 -31.690 -14.467  -8.240
  556    H    MET  74           HN       MET  74 -37.358 -21.808  -8.482
  557    HA   MET  74           HA       MET  74 -36.556 -23.955  -8.644
  558    HB2  MET  74           HB2      MET  74 -34.892 -23.060 -11.011
  559    HB3  MET  74           HB1      MET  74 -35.085 -24.694 -10.435
  560    HG2  MET  74           HG2      MET  74 -37.423 -22.984 -11.285
  561    HG3  MET  74           HG1      MET  74 -36.569 -24.067 -12.385
  562    HE1  MET  74           HE1      MET  74 -38.724 -25.467 -12.925
  563    HE2  MET  74           HE2      MET  74 -39.516 -24.201 -11.992
  564    HE3  MET  74           HE3      MET  74 -39.908 -25.890 -11.679
  565    H    GLY  75           HN       GLY  75 -35.418 -21.603  -7.237
  566    HA2  GLY  75           HA2      GLY  75 -33.444 -20.910  -6.150
  567    HA3  GLY  75           HA1      GLY  75 -33.576 -22.571  -5.573
  568    H    LEU  76           HN       LEU  76 -32.637 -21.139  -8.717
  569    HA   LEU  76           HA       LEU  76 -30.519 -23.035  -9.103
  570    HB2  LEU  76           HB2      LEU  76 -30.995 -20.434 -10.555
  571    HB3  LEU  76           HB1      LEU  76 -30.119 -21.848 -11.154
  572    HG   LEU  76           HG       LEU  76 -33.055 -21.839 -10.421
  573   HD11  LEU  76          HD11      LEU  76 -32.875 -20.450 -12.343
  574   HD12  LEU  76          HD12      LEU  76 -33.304 -22.042 -12.969
  575   HD13  LEU  76          HD13      LEU  76 -31.636 -21.479 -13.064
  576   HD21  LEU  76          HD21      LEU  76 -31.183 -23.863 -11.667
  577   HD22  LEU  76          HD22      LEU  76 -32.929 -23.971 -11.884
  578   HD23  LEU  76          HD23      LEU  76 -32.236 -24.072 -10.271
  579    H    ASN  77           HN       ASN  77 -30.568 -20.850  -6.879
  580    HA   ASN  77           HA       ASN  77 -28.565 -20.325  -5.645
  581    HB2  ASN  77           HB2      ASN  77 -27.009 -20.916  -7.512
  582    HB3  ASN  77           HB1      ASN  77 -27.431 -19.380  -8.288
  583   HD21  ASN  77          HD21      ASN  77 -26.714 -20.178  -4.840
  584   HD22  ASN  77          HD22      ASN  77 -25.469 -19.023  -4.700
  585    H    ASP  78           HN       ASP  78 -27.778 -18.109  -5.102
  586    HA   ASP  78           HA       ASP  78 -29.906 -16.143  -5.662
  587    HB2  ASP  78           HB2      ASP  78 -29.029 -14.949  -3.724
  588    HB3  ASP  78           HB1      ASP  78 -29.380 -16.622  -3.303
  589    H    ARG  79           HN       ARG  79 -28.650 -16.183  -7.866
  590    HA   ARG  79           HA       ARG  79 -26.897 -13.822  -7.852
  591    HB2  ARG  79           HB2      ARG  79 -25.542 -15.999  -7.936
  592    HB3  ARG  79           HB1      ARG  79 -26.256 -16.254  -9.523
  593    HG2  ARG  79           HG2      ARG  79 -24.312 -15.126 -10.121
  594    HG3  ARG  79           HG1      ARG  79 -25.424 -13.770  -9.958
  595    HD2  ARG  79           HD2      ARG  79 -24.635 -13.467  -7.601
  596    HD3  ARG  79           HD1      ARG  79 -23.469 -14.759  -7.860
  597    HE   ARG  79           HE       ARG  79 -23.182 -12.751  -9.857
  598   HH11  ARG  79          HH21      ARG  79 -22.639 -13.463  -6.517
  599   HH12  ARG  79          HH22      ARG  79 -21.285 -12.393  -6.364
  600   HH21  ARG  79          HH11      ARG  79 -21.409 -11.340  -9.666
  601   HH22  ARG  79          HH12      ARG  79 -20.589 -11.190  -8.147
  602    H    LEU  80           HN       LEU  80 -27.830 -12.379  -9.158
  603    HA   LEU  80           HA       LEU  80 -28.910 -13.302 -11.740
  604    HB2  LEU  80           HB2      LEU  80 -30.670 -12.960  -9.733
  605    HB3  LEU  80           HB1      LEU  80 -30.513 -11.275 -10.219
  606    HG   LEU  80           HG       LEU  80 -32.367 -12.262 -11.415
  607   HD11  LEU  80          HD11      LEU  80 -31.814 -11.497 -13.552
  608   HD12  LEU  80          HD12      LEU  80 -30.170 -12.126 -13.462
  609   HD13  LEU  80          HD13      LEU  80 -30.623 -10.695 -12.532
  610   HD21  LEU  80          HD21      LEU  80 -31.056 -14.645 -11.297
  611   HD22  LEU  80          HD22      LEU  80 -30.681 -14.192 -12.957
  612   HD23  LEU  80          HD23      LEU  80 -32.360 -14.320 -12.437
  613    H    SER  81           HN       SER  81 -28.247 -12.067 -13.328
  614    HA   SER  81           HA       SER  81 -27.085  -9.414 -12.695
  615    HB2  SER  81           HB2      SER  81 -25.486  -9.774 -14.299
  616    HB3  SER  81           HB1      SER  81 -25.732 -11.419 -13.729
  617    HG   SER  81           HG       SER  81 -26.866 -11.883 -15.514
  618    H    SER  82           HN       SER  82 -26.880  -8.490 -15.321
  619    HA   SER  82           HA       SER  82 -29.172  -7.050 -15.686
  620    HB2  SER  82           HB2      SER  82 -28.482  -6.913 -18.127
  621    HB3  SER  82           HB1      SER  82 -27.254  -6.451 -16.955
  622    HG   SER  82           HG       SER  82 -27.000  -8.226 -18.815
  623    H    CYS  83           HN       CYS  83 -30.467  -7.256 -17.934
  624    HA   CYS  83           HA       CYS  83 -31.354 -10.013 -18.359
  625    HB2  CYS  83           HB2      CYS  83 -33.622  -9.609 -17.756
  626    HB3  CYS  83           HB1      CYS  83 -32.653  -8.987 -16.413
  627    HG   CYS  83           HG       CYS  83 -34.572  -7.313 -17.824
  628    H    ARG  84           HN       ARG  84 -32.491 -10.284 -20.337
  629    HA   ARG  84           HA       ARG  84 -32.484  -7.915 -22.125
  630    HB2  ARG  84           HB2      ARG  84 -32.098 -10.841 -22.811
  631    HB3  ARG  84           HB1      ARG  84 -32.159  -9.514 -23.974
  632    HG2  ARG  84           HG2      ARG  84 -30.207  -8.467 -22.886
  633    HG3  ARG  84           HG1      ARG  84 -30.141  -9.795 -21.725
  634    HD2  ARG  84           HD2      ARG  84 -28.534 -10.250 -23.476
  635    HD3  ARG  84           HD1      ARG  84 -29.875 -11.380 -23.652
  636    HE   ARG  84           HE       ARG  84 -30.357  -9.060 -25.214
  637   HH11  ARG  84          HH21      ARG  84 -28.383 -11.896 -25.030
  638   HH12  ARG  84          HH22      ARG  84 -28.146 -12.009 -26.741
  639   HH21  ARG  84          HH11      ARG  84 -30.050  -9.201 -27.458
  640   HH22  ARG  84          HH12      ARG  84 -29.089 -10.482 -28.118
  641    H    ALA  85           HN       ALA  85 -34.415  -7.313 -22.886
  642    HA   ALA  85           HA       ALA  85 -36.818  -8.539 -22.056
  643    HB1  ALA  85           HB1      ALA  85 -36.783  -6.187 -22.630
  644    HB2  ALA  85           HB2      ALA  85 -37.883  -7.012 -23.734
  645    HB3  ALA  85           HB3      ALA  85 -36.268  -6.557 -24.276
  646    H    VAL  86           HN       VAL  86 -37.884 -10.251 -22.829
  647    HA   VAL  86           HA       VAL  86 -37.295 -11.135 -25.618
  648    HB   VAL  86           HB       VAL  86 -37.698 -12.812 -23.126
  649   HG11  VAL  86          HG11      VAL  86 -37.529 -13.538 -26.054
  650   HG12  VAL  86          HG12      VAL  86 -38.830 -13.935 -24.928
  651   HG13  VAL  86          HG13      VAL  86 -37.254 -14.709 -24.769
  652   HG21  VAL  86          HG21      VAL  86 -35.406 -13.697 -24.023
  653   HG22  VAL  86          HG22      VAL  86 -35.436 -12.156 -23.169
  654   HG23  VAL  86          HG23      VAL  86 -35.353 -12.187 -24.929
  655    H    HIS  87           HN       HIS  87 -39.006 -11.431 -26.894
  656    HA   HIS  87           HA       HIS  87 -41.706 -11.143 -25.733
  657    HB2  HIS  87           HB2      HIS  87 -40.790 -10.993 -28.616
  658    HB3  HIS  87           HB1      HIS  87 -42.415 -10.649 -28.024
  659    HD2  HIS  87           HD2      HIS  87 -39.091  -8.798 -28.531
  660    HE1  HIS  87           HE1      HIS  87 -41.422  -6.356 -25.997
  661    HE2  HIS  87           HE2      HIS  87 -39.318  -6.448 -27.418
  662    H    LEU  88           HN       LEU  88 -43.428 -12.496 -26.544
  663    HA   LEU  88           HA       LEU  88 -42.638 -15.266 -26.584
  664    HB2  LEU  88           HB2      LEU  88 -45.425 -14.139 -26.914
  665    HB3  LEU  88           HB1      LEU  88 -44.973 -15.737 -26.356
  666    HG   LEU  88           HG       LEU  88 -45.541 -14.545 -24.389
  667   HD11  LEU  88          HD11      LEU  88 -42.542 -14.238 -24.476
  668   HD12  LEU  88          HD12      LEU  88 -43.325 -15.821 -24.429
  669   HD13  LEU  88          HD13      LEU  88 -43.563 -14.682 -23.108
  670   HD21  LEU  88          HD21      LEU  88 -45.187 -12.321 -23.967
  671   HD22  LEU  88          HD22      LEU  88 -45.055 -12.223 -25.715
  672   HD23  LEU  88          HD23      LEU  88 -43.598 -12.300 -24.722
  673    HA   PRO  89           HA       PRO  89 -42.728 -15.806 -30.982
  674    HB2  PRO  89           HB2      PRO  89 -43.385 -18.452 -31.193
  675    HB3  PRO  89           HB1      PRO  89 -41.790 -17.898 -30.644
  676    HG2  PRO  89           HG2      PRO  89 -44.133 -18.820 -29.023
  677    HG3  PRO  89           HG1      PRO  89 -42.408 -19.212 -28.841
  678    HD2  PRO  89           HD2      PRO  89 -43.610 -17.335 -27.282
  679    HD3  PRO  89           HD1      PRO  89 -41.912 -17.196 -27.781
  680    H    SER  90           HN       SER  90 -44.132 -16.070 -32.754
  681    HA   SER  90           HA       SER  90 -46.827 -16.878 -32.536
  682    HB2  SER  90           HB2      SER  90 -46.226 -13.974 -32.147
  683    HB3  SER  90           HB1      SER  90 -47.714 -14.448 -32.963
  684    HG   SER  90           HG       SER  90 -48.480 -15.078 -31.115
  685    H    GLY  91           HN       GLY  91 -44.183 -15.522 -34.211
  686    HA2  GLY  91           HA2      GLY  91 -45.408 -14.867 -36.662
  687    HA3  GLY  91           HA1      GLY  91 -43.705 -15.268 -36.442
  688    H    GLY  92           HN       GLY  92 -44.147 -17.901 -35.368
  689    HA2  GLY  92           HA2      GLY  92 -45.321 -19.327 -37.696
  690    HA3  GLY  92           HA1      GLY  92 -43.747 -19.766 -37.034
  691    H    GLN  93           HN       GLN  93 -46.947 -19.015 -35.622
  692    HA   GLN  93           HA       GLN  93 -47.950 -19.967 -33.746
  693    HB2  GLN  93           HB2      GLN  93 -48.550 -22.442 -34.366
  694    HB3  GLN  93           HB1      GLN  93 -49.168 -21.126 -35.365
  695    HG2  GLN  93           HG2      GLN  93 -47.393 -21.454 -36.991
  696    HG3  GLN  93           HG1      GLN  93 -46.632 -22.669 -35.969
  697   HE21  GLN  93          HE21      GLN  93 -48.282 -24.552 -35.341
  698   HE22  GLN  93          HE22      GLN  93 -49.223 -25.128 -36.640
  699    H    TYR  94           HN       TYR  94 -46.820 -23.133 -34.256
  700    HA   TYR  94           HA       TYR  94 -44.541 -22.969 -32.483
  701    HB2  TYR  94           HB2      TYR  94 -46.605 -22.885 -31.003
  702    HB3  TYR  94           HB1      TYR  94 -46.935 -24.529 -31.538
  703    HD1  TYR  94           HD1      TYR  94 -44.287 -22.389 -30.028
  704    HD2  TYR  94           HD2      TYR  94 -45.855 -26.357 -30.494
  705    HE1  TYR  94           HE1      TYR  94 -42.651 -23.226 -28.369
  706    HE2  TYR  94           HE2      TYR  94 -44.219 -27.197 -28.834
  707    HH   TYR  94           HH       TYR  94 -42.219 -26.654 -27.800
  708    H    LYS  95           HN       LYS  95 -43.161 -24.262 -33.527
  709    HA   LYS  95           HA       LYS  95 -43.940 -27.015 -34.109
  710    HB2  LYS  95           HB2      LYS  95 -44.622 -25.697 -36.112
  711    HB3  LYS  95           HB1      LYS  95 -42.954 -25.180 -36.297
  712    HG2  LYS  95           HG2      LYS  95 -43.337 -27.062 -37.768
  713    HG3  LYS  95           HG1      LYS  95 -42.276 -27.580 -36.463
  714    HD2  LYS  95           HD2      LYS  95 -43.891 -28.909 -35.460
  715    HD3  LYS  95           HD1      LYS  95 -45.232 -27.939 -36.086
  716    HE2  LYS  95           HE2      LYS  95 -43.467 -29.692 -37.818
  717    HE3  LYS  95           HE1      LYS  95 -45.032 -30.195 -37.173
  718    HZ1  LYS  95           HZ1      LYS  95 -46.070 -28.359 -38.318
  719    HZ2  LYS  95           HZ2      LYS  95 -45.214 -29.322 -39.423
  720    HZ3  LYS  95           HZ3      LYS  95 -44.571 -27.836 -38.913
  721    H    ILE  96           HN       ILE  96 -42.296 -28.357 -33.771
  722    HA   ILE  96           HA       ILE  96 -39.520 -27.335 -33.895
  723    HB   ILE  96           HB       ILE  96 -39.875 -27.291 -31.589
  724   HG12  ILE  96          HG12      ILE  96 -39.022 -30.170 -31.892
  725   HG13  ILE  96          HG11      ILE  96 -37.975 -28.844 -32.396
  726   HG21  ILE  96          HG21      ILE  96 -42.123 -28.324 -31.608
  727   HG22  ILE  96          HG22      ILE  96 -41.115 -29.044 -30.356
  728   HG23  ILE  96          HG23      ILE  96 -41.389 -29.904 -31.870
  729   HD11  ILE  96          HD11      ILE  96 -37.406 -29.466 -30.115
  730   HD12  ILE  96          HD12      ILE  96 -39.089 -29.318 -29.620
  731   HD13  ILE  96          HD13      ILE  96 -38.178 -27.883 -30.088
  732    H    GLN  97           HN       GLN  97 -38.013 -28.739 -34.548
  733    HA   GLN  97           HA       GLN  97 -38.850 -31.481 -35.296
  734    HB2  GLN  97           HB2      GLN  97 -37.422 -29.360 -36.855
  735    HB3  GLN  97           HB1      GLN  97 -36.851 -31.016 -37.049
  736    HG2  GLN  97           HG2      GLN  97 -39.131 -31.742 -37.625
  737    HG3  GLN  97           HG1      GLN  97 -39.711 -30.089 -37.436
  738   HE21  GLN  97          HE21      GLN  97 -36.517 -30.396 -38.752
  739   HE22  GLN  97          HE22      GLN  97 -36.933 -30.091 -40.376
  740    H    ILE  98           HN       ILE  98 -37.594 -33.042 -34.471
  741    HA   ILE  98           HA       ILE  98 -35.059 -32.252 -33.124
  742    HB   ILE  98           HB       ILE  98 -36.858 -34.562 -32.358
  743   HG12  ILE  98          HG12      ILE  98 -36.874 -31.732 -31.280
  744   HG13  ILE  98          HG11      ILE  98 -38.171 -32.485 -32.209
  745   HG21  ILE  98          HG21      ILE  98 -35.618 -34.554 -30.334
  746   HG22  ILE  98          HG22      ILE  98 -34.925 -32.968 -30.676
  747   HG23  ILE  98          HG23      ILE  98 -34.425 -34.371 -31.616
  748   HD11  ILE  98          HD11      ILE  98 -37.921 -34.332 -30.241
  749   HD12  ILE  98          HD12      ILE  98 -38.992 -32.938 -30.120
  750   HD13  ILE  98          HD13      ILE  98 -37.402 -32.889 -29.367
  751    H    PHE  99           HN       PHE  99 -33.259 -33.340 -33.782
  752    HA   PHE  99           HA       PHE  99 -33.651 -35.733 -35.510
  753    HB2  PHE  99           HB2      PHE  99 -31.565 -33.550 -35.531
  754    HB3  PHE  99           HB1      PHE  99 -31.299 -35.097 -36.333
  755    HD1  PHE  99           HD1      PHE  99 -33.530 -32.120 -36.209
  756    HD2  PHE  99           HD2      PHE  99 -32.357 -35.618 -38.412
  757    HE1  PHE  99           HE1      PHE  99 -34.847 -31.340 -38.156
  758    HE2  PHE  99           HE2      PHE  99 -33.678 -34.833 -40.360
  759    HZ   PHE  99           HZ       PHE  99 -34.922 -32.693 -40.233
  760    H    GLU 100           HN       GLU 100 -32.773 -37.583 -34.929
  761    HA   GLU 100           HA       GLU 100 -31.729 -37.995 -32.348
  762    HB2  GLU 100           HB2      GLU 100 -32.906 -39.750 -33.644
  763    HB3  GLU 100           HB1      GLU 100 -31.530 -39.820 -34.755
  764    HG2  GLU 100           HG2      GLU 100 -30.053 -40.496 -32.926
  765    HG3  GLU 100           HG1      GLU 100 -31.374 -40.329 -31.768
  766    H    LYS 101           HN       LYS 101 -30.220 -37.390 -35.416
  767    HA   LYS 101           HA       LYS 101 -27.543 -37.608 -34.150
  768    HB2  LYS 101           HB2      LYS 101 -28.264 -37.825 -37.075
  769    HB3  LYS 101           HB1      LYS 101 -26.680 -38.102 -36.357
  770    HG2  LYS 101           HG2      LYS 101 -27.521 -40.001 -35.121
  771    HG3  LYS 101           HG1      LYS 101 -29.164 -39.688 -35.668
  772    HD2  LYS 101           HD2      LYS 101 -28.450 -40.053 -38.005
  773    HD3  LYS 101           HD1      LYS 101 -26.815 -40.415 -37.441
  774    HE2  LYS 101           HE2      LYS 101 -27.688 -42.303 -36.116
  775    HE3  LYS 101           HE1      LYS 101 -29.319 -41.942 -36.681
  776    HZ1  LYS 101           HZ1      LYS 101 -28.935 -42.949 -38.608
  777    HZ2  LYS 101           HZ2      LYS 101 -27.531 -43.593 -37.901
  778    HZ3  LYS 101           HZ3      LYS 101 -27.444 -42.170 -38.825
  779    H    GLY 102           HN       GLY 102 -26.060 -35.956 -34.542
  780    HA2  GLY 102           HA2      GLY 102 -27.129 -33.355 -34.785
  781    HA3  GLY 102           HA1      GLY 102 -25.423 -33.755 -34.818
  782    H    ASP 103           HN       ASP 103 -25.934 -31.794 -36.419
  783    HA   ASP 103           HA       ASP 103 -25.897 -31.025 -38.573
  784    HB2  ASP 103           HB2      ASP 103 -23.967 -32.712 -38.556
  785    HB3  ASP 103           HB1      ASP 103 -25.069 -33.816 -39.373
  786    H    PHE 104           HN       PHE 104 -28.362 -32.214 -37.561
  787    HA   PHE 104           HA       PHE 104 -30.446 -32.831 -38.286
  788    HB2  PHE 104           HB2      PHE 104 -29.599 -32.014 -41.058
  789    HB3  PHE 104           HB1      PHE 104 -31.178 -31.862 -40.288
  790    HD1  PHE 104           HD2      PHE 104 -30.989 -30.563 -37.893
  791    HD2  PHE 104           HD1      PHE 104 -28.424 -30.004 -41.289
  792    HE1  PHE 104           HE2      PHE 104 -30.394 -28.304 -37.073
  793    HE2  PHE 104           HE1      PHE 104 -27.819 -27.746 -40.461
  794    HZ   PHE 104           HZ       PHE 104 -28.806 -26.901 -38.353
  795    H    SER 105           HN       SER 105 -29.918 -35.106 -37.931
  796    HA   SER 105           HA       SER 105 -30.347 -36.652 -40.330
  797    HB2  SER 105           HB2      SER 105 -27.682 -36.637 -38.954
  798    HB3  SER 105           HB1      SER 105 -28.263 -38.130 -39.685
  799    HG   SER 105           HG       SER 105 -27.238 -35.927 -40.848
  800    H    GLY 106           HN       GLY 106 -30.653 -38.947 -39.844
  801    HA2  GLY 106           HA2      GLY 106 -31.177 -40.754 -38.434
  802    HA3  GLY 106           HA1      GLY 106 -31.047 -39.685 -37.047
  803    H    GLN 107           HN       GLN 107 -32.981 -40.368 -36.164
  804    HA   GLN 107           HA       GLN 107 -35.456 -40.273 -37.632
  805    HB2  GLN 107           HB2      GLN 107 -35.249 -41.874 -35.832
  806    HB3  GLN 107           HB1      GLN 107 -34.862 -40.597 -34.682
  807    HG2  GLN 107           HG2      GLN 107 -37.229 -41.352 -34.514
  808    HG3  GLN 107           HG1      GLN 107 -37.107 -39.645 -34.936
  809   HE21  GLN 107          HE21      GLN 107 -38.992 -39.427 -36.201
  810   HE22  GLN 107          HE22      GLN 107 -39.282 -40.309 -37.623
  811    H    MET 108           HN       MET 108 -36.965 -38.676 -37.713
  812    HA   MET 108           HA       MET 108 -36.424 -36.225 -36.189
  813    HB2  MET 108           HB2      MET 108 -35.891 -35.814 -38.510
  814    HB3  MET 108           HB1      MET 108 -37.464 -36.446 -39.000
  815    HG2  MET 108           HG2      MET 108 -37.404 -34.227 -36.979
  816    HG3  MET 108           HG1      MET 108 -37.101 -33.830 -38.664
  817    HE1  MET 108           HE1      MET 108 -40.200 -34.392 -40.553
  818    HE2  MET 108           HE2      MET 108 -38.449 -34.583 -40.556
  819    HE3  MET 108           HE3      MET 108 -39.158 -33.033 -40.107
  820    H    TYR 109           HN       TYR 109 -38.021 -35.424 -34.980
  821    HA   TYR 109           HA       TYR 109 -40.749 -36.476 -35.416
  822    HB2  TYR 109           HB2      TYR 109 -39.258 -35.944 -32.849
  823    HB3  TYR 109           HB1      TYR 109 -41.009 -36.131 -32.933
  824    HD1  TYR 109           HD2      TYR 109 -41.781 -38.271 -34.439
  825    HD2  TYR 109           HD1      TYR 109 -38.059 -37.879 -32.346
  826    HE1  TYR 109           HE2      TYR 109 -41.524 -40.733 -34.435
  827    HE2  TYR 109           HE1      TYR 109 -37.799 -40.344 -32.335
  828    HH   TYR 109           HH       TYR 109 -39.605 -42.374 -32.475
  829    H    GLU 110           HN       GLU 110 -42.336 -35.075 -35.471
  830    HA   GLU 110           HA       GLU 110 -41.759 -32.233 -34.902
  831    HB2  GLU 110           HB2      GLU 110 -43.374 -31.740 -36.757
  832    HB3  GLU 110           HB1      GLU 110 -41.844 -32.432 -37.276
  833    HG2  GLU 110           HG2      GLU 110 -42.943 -34.684 -37.304
  834    HG3  GLU 110           HG1      GLU 110 -44.476 -33.898 -36.934
  835    H    THR 111           HN       THR 111 -43.086 -31.314 -33.462
  836    HA   THR 111           HA       THR 111 -45.855 -32.225 -33.225
  837    HB   THR 111           HB       THR 111 -44.360 -33.625 -31.693
  838    HG1  THR 111           HG1      THR 111 -45.982 -33.685 -30.274
  839   HG21  THR 111          HG21      THR 111 -42.993 -31.553 -31.020
  840   HG22  THR 111          HG22      THR 111 -43.483 -32.630 -29.713
  841   HG23  THR 111          HG23      THR 111 -44.358 -31.128 -29.990
  842    H    THR 112           HN       THR 112 -47.160 -30.549 -32.930
  843    HA   THR 112           HA       THR 112 -46.002 -27.918 -32.375
  844    HB   THR 112           HB       THR 112 -47.853 -27.026 -33.420
  845    HG1  THR 112           HG1      THR 112 -49.475 -27.612 -32.130
  846   HG21  THR 112          HG21      THR 112 -48.377 -29.761 -34.531
  847   HG22  THR 112          HG22      THR 112 -46.781 -29.054 -34.778
  848   HG23  THR 112          HG23      THR 112 -48.216 -28.224 -35.381
  849    H    GLU 113           HN       GLU 113 -45.966 -29.678 -30.190
  850    HA   GLU 113           HA       GLU 113 -47.621 -28.164 -28.290
  851    HB2  GLU 113           HB2      GLU 113 -48.185 -30.404 -27.147
  852    HB3  GLU 113           HB1      GLU 113 -49.089 -29.978 -28.608
  853    HG2  GLU 113           HG2      GLU 113 -47.673 -31.398 -29.968
  854    HG3  GLU 113           HG1      GLU 113 -46.613 -31.723 -28.598
  855    H    ASP 114           HN       ASP 114 -47.103 -29.225 -25.972
  856    HA   ASP 114           HA       ASP 114 -44.224 -28.897 -25.643
  857    HB2  ASP 114           HB2      ASP 114 -44.832 -29.126 -23.188
  858    HB3  ASP 114           HB1      ASP 114 -45.519 -27.742 -24.034
  859    H    CYS 115           HN       CYS 115 -42.981 -30.384 -24.373
  860    HA   CYS 115           HA       CYS 115 -43.949 -33.175 -24.470
  861    HB2  CYS 115           HB2      CYS 115 -42.461 -32.796 -26.364
  862    HB3  CYS 115           HB1      CYS 115 -41.223 -32.161 -25.282
  863    HG   CYS 115           HG       CYS 115 -42.216 -35.108 -24.968
  864    HA   PRO 116           HA       PRO 116 -42.249 -32.648 -20.291
  865    HB2  PRO 116           HB2      PRO 116 -43.286 -34.891 -19.148
  866    HB3  PRO 116           HB1      PRO 116 -44.282 -33.463 -19.489
  867    HG2  PRO 116           HG2      PRO 116 -44.062 -36.020 -21.012
  868    HG3  PRO 116           HG1      PRO 116 -45.493 -35.029 -20.678
  869    HD2  PRO 116           HD2      PRO 116 -44.085 -35.005 -23.078
  870    HD3  PRO 116           HD1      PRO 116 -45.118 -33.669 -22.507
  871    H    SER 117           HN       SER 117 -42.320 -35.941 -21.670
  872    HA   SER 117           HA       SER 117 -39.447 -36.274 -20.966
  873    HB2  SER 117           HB2      SER 117 -41.691 -38.304 -21.012
  874    HB3  SER 117           HB1      SER 117 -39.982 -38.737 -20.932
  875    HG   SER 117           HG       SER 117 -41.489 -38.209 -18.925
  876    H    ILE 118           HN       ILE 118 -38.332 -35.990 -22.814
  877    HA   ILE 118           HA       ILE 118 -39.452 -36.320 -25.387
  878    HB   ILE 118           HB       ILE 118 -37.324 -34.992 -24.429
  879   HG12  ILE 118          HG12      ILE 118 -37.479 -36.022 -27.284
  880   HG13  ILE 118          HG11      ILE 118 -38.419 -34.676 -26.636
  881   HG21  ILE 118          HG21      ILE 118 -36.019 -37.053 -24.006
  882   HG22  ILE 118          HG22      ILE 118 -35.219 -35.961 -25.133
  883   HG23  ILE 118          HG23      ILE 118 -36.034 -37.395 -25.732
  884   HD11  ILE 118          HD11      ILE 118 -36.626 -33.255 -26.570
  885   HD12  ILE 118          HD12      ILE 118 -36.168 -34.247 -27.941
  886   HD13  ILE 118          HD13      ILE 118 -35.445 -34.549 -26.363
  887    H    MET 119           HN       MET 119 -37.358 -38.363 -23.418
  888    HA   MET 119           HA       MET 119 -36.930 -40.388 -25.362
  889    HB2  MET 119           HB2      MET 119 -35.440 -40.245 -23.495
  890    HB3  MET 119           HB1      MET 119 -36.761 -40.398 -22.345
  891    HG2  MET 119           HG2      MET 119 -37.169 -42.704 -23.041
  892    HG3  MET 119           HG1      MET 119 -35.977 -42.562 -24.330
  893    HE1  MET 119           HE1      MET 119 -33.321 -41.021 -22.601
  894    HE2  MET 119           HE2      MET 119 -33.800 -41.849 -24.078
  895    HE3  MET 119           HE3      MET 119 -32.684 -42.631 -22.963
  896    H    GLU 120           HN       GLU 120 -39.620 -39.647 -23.310
  897    HA   GLU 120           HA       GLU 120 -40.696 -42.289 -23.197
  898    HB2  GLU 120           HB2      GLU 120 -41.264 -40.537 -21.585
  899    HB3  GLU 120           HB1      GLU 120 -42.076 -39.632 -22.860
  900    HG2  GLU 120           HG2      GLU 120 -43.758 -40.854 -21.643
  901    HG3  GLU 120           HG1      GLU 120 -43.588 -41.640 -23.202
  902    H    GLN 121           HN       GLN 121 -41.477 -39.442 -25.191
  903    HA   GLN 121           HA       GLN 121 -43.273 -41.128 -26.795
  904    HB2  GLN 121           HB2      GLN 121 -44.214 -39.076 -27.618
  905    HB3  GLN 121           HB1      GLN 121 -44.167 -39.057 -25.856
  906    HG2  GLN 121           HG2      GLN 121 -42.595 -37.366 -25.761
  907    HG3  GLN 121           HG1      GLN 121 -41.799 -37.864 -27.247
  908   HE21  GLN 121          HE21      GLN 121 -42.813 -35.148 -26.464
  909   HE22  GLN 121          HE22      GLN 121 -43.883 -34.691 -27.693
  910    H    PHE 122           HN       PHE 122 -40.212 -39.444 -27.044
  911    HA   PHE 122           HA       PHE 122 -40.168 -40.045 -29.946
  912    HB2  PHE 122           HB2      PHE 122 -38.560 -38.024 -28.368
  913    HB3  PHE 122           HB1      PHE 122 -38.420 -38.317 -30.095
  914    HD1  PHE 122           HD2      PHE 122 -41.081 -38.480 -31.171
  915    HD2  PHE 122           HD1      PHE 122 -39.697 -36.027 -27.934
  916    HE1  PHE 122           HE2      PHE 122 -42.923 -36.895 -31.574
  917    HE2  PHE 122           HE1      PHE 122 -41.530 -34.435 -28.353
  918    HZ   PHE 122           HZ       PHE 122 -43.152 -34.877 -30.172
  919    H    HIS 123           HN       HIS 123 -39.202 -41.338 -27.122
  920    HA   HIS 123           HA       HIS 123 -37.532 -42.800 -26.527
  921    HB2  HIS 123           HB2      HIS 123 -37.621 -43.247 -29.514
  922    HB3  HIS 123           HB1      HIS 123 -36.794 -44.306 -28.367
  923    HD2  HIS 123           HD2      HIS 123 -39.352 -45.685 -29.814
  924    HE1  HIS 123           HE1      HIS 123 -41.487 -44.785 -26.285
  925    HE2  HIS 123           HE2      HIS 123 -41.487 -46.195 -28.399
  926    H    MET 124           HN       MET 124 -36.835 -39.977 -27.771
  927    HA   MET 124           HA       MET 124 -34.128 -40.339 -28.667
  928    HB2  MET 124           HB2      MET 124 -35.771 -37.918 -27.921
  929    HB3  MET 124           HB1      MET 124 -34.086 -37.820 -28.411
  930    HG2  MET 124           HG2      MET 124 -35.932 -39.368 -30.176
  931    HG3  MET 124           HG1      MET 124 -36.087 -37.617 -30.182
  932    HE1  MET 124           HE1      MET 124 -34.300 -37.914 -33.366
  933    HE2  MET 124           HE2      MET 124 -34.689 -36.498 -32.407
  934    HE3  MET 124           HE3      MET 124 -35.810 -37.842 -32.477
  935    H    ARG 125           HN       ARG 125 -32.314 -40.234 -27.479
  936    HA   ARG 125           HA       ARG 125 -32.604 -39.928 -24.560
  937    HB2  ARG 125           HB2      ARG 125 -30.347 -41.164 -24.623
  938    HB3  ARG 125           HB1      ARG 125 -31.771 -42.097 -25.053
  939    HG2  ARG 125           HG2      ARG 125 -31.320 -41.742 -27.440
  940    HG3  ARG 125           HG1      ARG 125 -29.909 -40.761 -27.031
  941    HD2  ARG 125           HD2      ARG 125 -29.162 -43.017 -27.536
  942    HD3  ARG 125           HD1      ARG 125 -28.961 -42.724 -25.811
  943    HE   ARG 125           HE       ARG 125 -30.692 -44.247 -25.374
  944   HH11  ARG 125          HH21      ARG 125 -30.344 -43.603 -28.760
  945   HH12  ARG 125          HH22      ARG 125 -31.344 -44.927 -29.254
  946   HH21  ARG 125          HH11      ARG 125 -32.006 -45.983 -26.018
  947   HH22  ARG 125          HH12      ARG 125 -32.286 -46.273 -27.703
  948    H    GLU 126           HN       GLU 126 -30.927 -38.807 -27.427
  949    HA   GLU 126           HA       GLU 126 -29.846 -36.586 -25.895
  950    HB2  GLU 126           HB2      GLU 126 -27.991 -38.322 -27.531
  951    HB3  GLU 126           HB1      GLU 126 -27.559 -36.888 -26.621
  952    HG2  GLU 126           HG2      GLU 126 -28.309 -38.044 -24.531
  953    HG3  GLU 126           HG1      GLU 126 -28.543 -39.507 -25.487
  954    H    ILE 127           HN       ILE 127 -30.693 -34.999 -26.953
  955    HA   ILE 127           HA       ILE 127 -31.108 -35.040 -29.801
  956    HB   ILE 127           HB       ILE 127 -31.257 -32.597 -28.029
  957   HG12  ILE 127          HG12      ILE 127 -32.600 -34.190 -26.860
  958   HG13  ILE 127          HG11      ILE 127 -33.734 -33.268 -27.848
  959   HG21  ILE 127          HG21      ILE 127 -33.052 -32.011 -29.676
  960   HG22  ILE 127          HG22      ILE 127 -32.626 -33.460 -30.584
  961   HG23  ILE 127          HG23      ILE 127 -31.461 -32.167 -30.406
  962   HD11  ILE 127          HD11      ILE 127 -33.459 -35.102 -29.613
  963   HD12  ILE 127          HD12      ILE 127 -34.328 -35.556 -28.152
  964   HD13  ILE 127          HD13      ILE 127 -32.653 -36.040 -28.361
  965    H    HIS 128           HN       HIS 128 -29.697 -34.586 -31.299
  966    HA   HIS 128           HA       HIS 128 -27.207 -33.177 -30.591
  967    HB2  HIS 128           HB2      HIS 128 -27.874 -34.933 -32.935
  968    HB3  HIS 128           HB1      HIS 128 -26.289 -34.253 -32.588
  969    HD2  HIS 128           HD2      HIS 128 -24.914 -35.544 -30.441
  970    HE1  HIS 128           HE1      HIS 128 -27.830 -38.534 -29.820
  971    HE2  HIS 128           HE2      HIS 128 -25.472 -37.787 -29.220
  972    H    SER 129           HN       SER 129 -29.973 -33.101 -32.762
  973    HA   SER 129           HA       SER 129 -29.319 -30.339 -33.453
  974    HB2  SER 129           HB2      SER 129 -29.338 -32.594 -35.440
  975    HB3  SER 129           HB1      SER 129 -29.763 -30.954 -35.935
  976    HG   SER 129           HG       SER 129 -27.510 -31.441 -36.133
  977    H    CYS 130           HN       CYS 130 -31.077 -29.146 -34.083
  978    HA   CYS 130           HA       CYS 130 -33.678 -30.454 -34.433
  979    HB2  CYS 130           HB2      CYS 130 -33.908 -30.162 -32.133
  980    HB3  CYS 130           HB1      CYS 130 -32.916 -28.698 -32.116
  981    HG   CYS 130           HG       CYS 130 -35.071 -27.602 -33.477
  982    H    LYS 131           HN       LYS 131 -34.884 -29.444 -35.907
  983    HA   LYS 131           HA       LYS 131 -33.999 -26.778 -36.869
  984    HB2  LYS 131           HB2      LYS 131 -35.352 -29.057 -38.332
  985    HB3  LYS 131           HB1      LYS 131 -35.061 -27.457 -39.017
  986    HG2  LYS 131           HG2      LYS 131 -32.660 -27.715 -38.730
  987    HG3  LYS 131           HG1      LYS 131 -32.896 -29.247 -37.892
  988    HD2  LYS 131           HD2      LYS 131 -32.245 -29.611 -40.251
  989    HD3  LYS 131           HD1      LYS 131 -33.861 -30.233 -39.934
  990    HE2  LYS 131           HE2      LYS 131 -34.906 -28.476 -41.087
  991    HE3  LYS 131           HE1      LYS 131 -33.491 -27.427 -40.968
  992    HZ1  LYS 131           HZ1      LYS 131 -33.348 -28.153 -43.120
  993    HZ2  LYS 131           HZ2      LYS 131 -33.993 -29.686 -42.777
  994    HZ3  LYS 131           HZ3      LYS 131 -32.392 -29.320 -42.346
  995    H    VAL 132           HN       VAL 132 -35.998 -25.881 -38.272
  996    HA   VAL 132           HA       VAL 132 -37.975 -24.735 -38.102
  997    HB   VAL 132           HB       VAL 132 -38.964 -27.217 -36.688
  998   HG11  VAL 132          HG11      VAL 132 -40.672 -25.593 -36.647
  999   HG12  VAL 132          HG12      VAL 132 -41.043 -26.533 -38.092
 1000   HG13  VAL 132          HG13      VAL 132 -40.254 -24.969 -38.242
 1001   HG21  VAL 132          HG21      VAL 132 -38.594 -26.669 -39.648
 1002   HG22  VAL 132          HG22      VAL 132 -39.520 -28.019 -38.994
 1003   HG23  VAL 132          HG23      VAL 132 -37.783 -27.915 -38.696
 1004    H    LEU 133           HN       LEU 133 -37.278 -23.140 -36.682
 1005    HA   LEU 133           HA       LEU 133 -37.837 -23.531 -33.803
 1006    HB2  LEU 133           HB2      LEU 133 -36.306 -21.262 -35.097
 1007    HB3  LEU 133           HB1      LEU 133 -36.376 -21.678 -33.386
 1008    HG   LEU 133           HG       LEU 133 -34.277 -22.494 -34.222
 1009   HD11  LEU 133          HD11      LEU 133 -36.013 -24.959 -34.196
 1010   HD12  LEU 133          HD12      LEU 133 -35.783 -23.989 -32.739
 1011   HD13  LEU 133          HD13      LEU 133 -34.396 -24.739 -33.525
 1012   HD21  LEU 133          HD21      LEU 133 -35.394 -24.402 -36.219
 1013   HD22  LEU 133          HD22      LEU 133 -33.927 -23.436 -36.277
 1014   HD23  LEU 133          HD23      LEU 133 -35.464 -22.705 -36.691
 1015    H    GLU 134           HN       GLU 134 -38.682 -21.503 -32.711
 1016    HA   GLU 134           HA       GLU 134 -40.457 -19.923 -34.441
 1017    HB2  GLU 134           HB2      GLU 134 -41.415 -22.113 -33.014
 1018    HB3  GLU 134           HB1      GLU 134 -41.781 -20.774 -31.941
 1019    HG2  GLU 134           HG2      GLU 134 -42.571 -20.952 -34.871
 1020    HG3  GLU 134           HG1      GLU 134 -43.635 -21.206 -33.497
 1021    H    GLY 135           HN       GLY 135 -39.839 -17.894 -34.025
 1022    HA2  GLY 135           HA2      GLY 135 -38.935 -16.083 -32.872
 1023    HA3  GLY 135           HA1      GLY 135 -40.307 -16.417 -31.823
 1024    H    VAL 136           HN       VAL 136 -39.997 -17.686 -29.946
 1025    HA   VAL 136           HA       VAL 136 -37.181 -17.923 -29.044
 1026    HB   VAL 136           HB       VAL 136 -39.569 -17.268 -27.329
 1027   HG11  VAL 136          HG11      VAL 136 -36.601 -16.969 -26.798
 1028   HG12  VAL 136          HG12      VAL 136 -37.544 -18.364 -26.285
 1029   HG13  VAL 136          HG13      VAL 136 -37.914 -16.772 -25.640
 1030   HG21  VAL 136          HG21      VAL 136 -39.141 -15.467 -28.952
 1031   HG22  VAL 136          HG22      VAL 136 -37.447 -15.430 -28.458
 1032   HG23  VAL 136          HG23      VAL 136 -38.710 -14.982 -27.320
 1033    H    TRP 137           HN       TRP 137 -36.687 -19.703 -27.735
 1034    HA   TRP 137           HA       TRP 137 -38.792 -21.757 -27.409
 1035    HB2  TRP 137           HB2      TRP 137 -37.306 -22.028 -29.526
 1036    HB3  TRP 137           HB1      TRP 137 -36.025 -22.467 -28.392
 1037    HD1  TRP 137           HD1      TRP 137 -36.203 -24.712 -27.152
 1038    HE1  TRP 137           HE1      TRP 137 -37.740 -26.781 -27.414
 1039    HE3  TRP 137           HE3      TRP 137 -39.754 -22.736 -30.196
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.178 -27.467 -28.756
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.671 -24.104 -30.961
 1042    HH2  TRP 137           HH2      TRP 137 -41.880 -26.466 -30.247
 1043    H    ILE 138           HN       ILE 138 -37.928 -23.606 -26.010
 1044    HA   ILE 138           HA       ILE 138 -35.851 -22.797 -24.100
 1045    HB   ILE 138           HB       ILE 138 -38.704 -23.393 -23.270
 1046   HG12  ILE 138          HG12      ILE 138 -36.919 -21.001 -22.696
 1047   HG13  ILE 138          HG11      ILE 138 -38.166 -21.023 -23.936
 1048   HG21  ILE 138          HG21      ILE 138 -37.752 -23.093 -20.928
 1049   HG22  ILE 138          HG22      ILE 138 -36.149 -23.217 -21.645
 1050   HG23  ILE 138          HG23      ILE 138 -37.267 -24.578 -21.738
 1051   HD11  ILE 138          HD11      ILE 138 -39.342 -20.083 -22.167
 1052   HD12  ILE 138          HD12      ILE 138 -38.466 -21.016 -20.957
 1053   HD13  ILE 138          HD13      ILE 138 -39.721 -21.788 -21.927
 1054    H    PHE 139           HN       PHE 139 -34.556 -24.469 -23.743
 1055    HA   PHE 139           HA       PHE 139 -35.616 -27.233 -24.019
 1056    HB2  PHE 139           HB2      PHE 139 -33.112 -25.911 -24.898
 1057    HB3  PHE 139           HB1      PHE 139 -32.831 -27.437 -24.065
 1058    HD1  PHE 139           HD1      PHE 139 -35.840 -26.632 -26.126
 1059    HD2  PHE 139           HD2      PHE 139 -32.118 -28.756 -25.923
 1060    HE1  PHE 139           HE1      PHE 139 -36.459 -27.886 -28.152
 1061    HE2  PHE 139           HE2      PHE 139 -32.735 -30.020 -27.962
 1062    HZ   PHE 139           HZ       PHE 139 -34.906 -29.586 -29.079
 1063    H    TYR 140           HN       TYR 140 -35.628 -28.502 -22.337
 1064    HA   TYR 140           HA       TYR 140 -34.408 -27.485 -19.822
 1065    HB2  TYR 140           HB2      TYR 140 -36.879 -29.048 -20.491
 1066    HB3  TYR 140           HB1      TYR 140 -36.164 -29.235 -18.912
 1067    HD1  TYR 140           HD2      TYR 140 -35.716 -27.109 -17.532
 1068    HD2  TYR 140           HD1      TYR 140 -38.244 -27.188 -20.991
 1069    HE1  TYR 140           HE2      TYR 140 -36.791 -25.005 -16.795
 1070    HE2  TYR 140           HE1      TYR 140 -39.320 -25.090 -20.264
 1071    HH   TYR 140           HH       TYR 140 -38.649 -23.679 -17.119
 1072    H    GLU 141           HN       GLU 141 -32.511 -28.486 -19.473
 1073    HA   GLU 141           HA       GLU 141 -31.594 -30.832 -20.567
 1074    HB2  GLU 141           HB2      GLU 141 -30.239 -29.184 -19.271
 1075    HB3  GLU 141           HB1      GLU 141 -30.931 -29.839 -17.787
 1076    HG2  GLU 141           HG2      GLU 141 -30.042 -32.075 -18.369
 1077    HG3  GLU 141           HG1      GLU 141 -29.339 -31.400 -19.837
 1078    H    LEU 142           HN       LEU 142 -33.894 -30.458 -17.988
 1079    HA   LEU 142           HA       LEU 142 -33.819 -33.387 -17.483
 1080    HB2  LEU 142           HB2      LEU 142 -34.176 -31.070 -15.694
 1081    HB3  LEU 142           HB1      LEU 142 -35.303 -32.357 -15.399
 1082    HG   LEU 142           HG       LEU 142 -33.403 -33.948 -15.237
 1083   HD11  LEU 142          HD11      LEU 142 -31.109 -32.786 -14.952
 1084   HD12  LEU 142          HD12      LEU 142 -31.843 -31.417 -15.786
 1085   HD13  LEU 142          HD13      LEU 142 -31.716 -32.981 -16.594
 1086   HD21  LEU 142          HD21      LEU 142 -32.562 -33.109 -13.074
 1087   HD22  LEU 142          HD22      LEU 142 -34.295 -32.824 -13.222
 1088   HD23  LEU 142          HD23      LEU 142 -33.159 -31.497 -13.463
 1089    HA   PRO 143           HA       PRO 143 -37.908 -33.576 -19.083
 1090    HB2  PRO 143           HB2      PRO 143 -38.990 -35.681 -17.780
 1091    HB3  PRO 143           HB1      PRO 143 -37.626 -35.881 -18.895
 1092    HG2  PRO 143           HG2      PRO 143 -37.630 -35.808 -15.914
 1093    HG3  PRO 143           HG1      PRO 143 -36.689 -36.829 -17.015
 1094    HD2  PRO 143           HD2      PRO 143 -35.712 -34.540 -15.780
 1095    HD3  PRO 143           HD1      PRO 143 -35.037 -35.254 -17.243
 1096    H    ASN 144           HN       ASN 144 -40.216 -33.438 -18.548
 1097    HA   ASN 144           HA       ASN 144 -42.035 -32.675 -17.385
 1098    HB2  ASN 144           HB2      ASN 144 -40.409 -32.369 -14.873
 1099    HB3  ASN 144           HB1      ASN 144 -42.110 -32.783 -15.056
 1100   HD21  ASN 144          HD21      ASN 144 -41.384 -34.748 -17.272
 1101   HD22  ASN 144          HD22      ASN 144 -40.756 -36.090 -16.449
 1102    H    TYR 145           HN       TYR 145 -39.537 -30.998 -18.408
 1103    HA   TYR 145           HA       TYR 145 -39.358 -28.764 -18.869
 1104    HB2  TYR 145           HB2      TYR 145 -41.424 -27.997 -16.831
 1105    HB3  TYR 145           HB1      TYR 145 -41.050 -27.266 -18.383
 1106    HD1  TYR 145           HD2      TYR 145 -41.219 -29.199 -20.395
 1107    HD2  TYR 145           HD1      TYR 145 -43.534 -29.011 -16.779
 1108    HE1  TYR 145           HE2      TYR 145 -43.021 -30.515 -21.479
 1109    HE2  TYR 145           HE1      TYR 145 -45.325 -30.339 -17.862
 1110    HH   TYR 145           HH       TYR 145 -46.056 -30.696 -20.425
 1111    H    ARG 146           HN       ARG 146 -38.051 -30.273 -16.624
 1112    HA   ARG 146           HA       ARG 146 -37.341 -28.013 -14.842
 1113    HB2  ARG 146           HB2      ARG 146 -37.163 -31.006 -14.459
 1114    HB3  ARG 146           HB1      ARG 146 -36.423 -29.837 -13.361
 1115    HG2  ARG 146           HG2      ARG 146 -38.626 -28.798 -12.974
 1116    HG3  ARG 146           HG1      ARG 146 -39.368 -29.961 -14.071
 1117    HD2  ARG 146           HD2      ARG 146 -38.642 -31.808 -12.613
 1118    HD3  ARG 146           HD1      ARG 146 -37.892 -30.652 -11.518
 1119    HE   ARG 146           HE       ARG 146 -40.689 -30.117 -11.977
 1120   HH11  ARG 146          HH21      ARG 146 -38.360 -31.946 -10.193
 1121   HH12  ARG 146          HH22      ARG 146 -39.400 -32.209  -8.833
 1122   HH21  ARG 146          HH11      ARG 146 -42.064 -30.456 -10.199
 1123   HH22  ARG 146          HH12      ARG 146 -41.499 -31.366  -8.837
 1124    H    GLY 147           HN       GLY 147 -34.996 -28.207 -14.027
 1125    HA2  GLY 147           HA2      GLY 147 -32.709 -28.655 -14.485
 1126    HA3  GLY 147           HA1      GLY 147 -33.150 -29.196 -16.099
 1127    H    ARG 148           HN       ARG 148 -31.052 -27.602 -15.887
 1128    HA   ARG 148           HA       ARG 148 -31.416 -24.832 -15.982
 1129    HB2  ARG 148           HB2      ARG 148 -29.473 -26.498 -17.609
 1130    HB3  ARG 148           HB1      ARG 148 -29.305 -24.785 -17.196
 1131    HG2  ARG 148           HG2      ARG 148 -29.151 -25.317 -14.832
 1132    HG3  ARG 148           HG1      ARG 148 -29.480 -27.021 -15.156
 1133    HD2  ARG 148           HD2      ARG 148 -27.418 -27.109 -16.555
 1134    HD3  ARG 148           HD1      ARG 148 -27.070 -25.444 -16.095
 1135    HE   ARG 148           HE       ARG 148 -27.345 -26.682 -13.695
 1136   HH11  ARG 148          HH21      ARG 148 -25.574 -27.372 -16.582
 1137   HH12  ARG 148          HH22      ARG 148 -24.280 -28.182 -15.763
 1138   HH21  ARG 148          HH11      ARG 148 -25.659 -27.749 -12.609
 1139   HH22  ARG 148          HH12      ARG 148 -24.329 -28.395 -13.511
 1140    H    GLN 149           HN       GLN 149 -31.760 -23.402 -17.716
 1141    HA   GLN 149           HA       GLN 149 -33.076 -24.608 -20.080
 1142    HB2  GLN 149           HB2      GLN 149 -33.453 -21.926 -18.743
 1143    HB3  GLN 149           HB1      GLN 149 -34.187 -22.366 -20.283
 1144    HG2  GLN 149           HG2      GLN 149 -35.895 -22.925 -18.792
 1145    HG3  GLN 149           HG1      GLN 149 -35.058 -24.469 -18.933
 1146   HE21  GLN 149          HE21      GLN 149 -36.337 -22.387 -16.664
 1147   HE22  GLN 149          HE22      GLN 149 -35.375 -22.820 -15.328
 1148    H    TYR 150           HN       TYR 150 -32.601 -23.817 -22.124
 1149    HA   TYR 150           HA       TYR 150 -30.106 -22.213 -22.335
 1150    HB2  TYR 150           HB2      TYR 150 -31.151 -24.440 -24.097
 1151    HB3  TYR 150           HB1      TYR 150 -29.779 -23.408 -24.507
 1152    HD1  TYR 150           HD2      TYR 150 -27.975 -23.160 -22.543
 1153    HD2  TYR 150           HD1      TYR 150 -30.696 -26.457 -22.992
 1154    HE1  TYR 150           HE2      TYR 150 -26.481 -24.583 -21.167
 1155    HE2  TYR 150           HE1      TYR 150 -29.196 -27.878 -21.616
 1156    HH   TYR 150           HH       TYR 150 -27.009 -26.834 -19.618
 1157    H    LEU 151           HN       LEU 151 -30.212 -20.361 -23.435
 1158    HA   LEU 151           HA       LEU 151 -32.316 -19.973 -25.451
 1159    HB2  LEU 151           HB2      LEU 151 -32.917 -19.113 -23.013
 1160    HB3  LEU 151           HB1      LEU 151 -31.876 -17.768 -23.459
 1161    HG   LEU 151           HG       LEU 151 -34.145 -17.185 -24.056
 1162   HD11  LEU 151          HD11      LEU 151 -32.811 -18.021 -26.638
 1163   HD12  LEU 151          HD12      LEU 151 -32.215 -16.683 -25.656
 1164   HD13  LEU 151          HD13      LEU 151 -33.835 -16.614 -26.348
 1165   HD21  LEU 151          HD21      LEU 151 -34.607 -19.873 -24.393
 1166   HD22  LEU 151          HD22      LEU 151 -34.517 -19.347 -26.072
 1167   HD23  LEU 151          HD23      LEU 151 -35.677 -18.606 -24.973
 1168    H    LEU 152           HN       LEU 152 -30.866 -19.814 -27.102
 1169    HA   LEU 152           HA       LEU 152 -29.183 -17.398 -27.132
 1170    HB2  LEU 152           HB2      LEU 152 -28.219 -20.201 -27.725
 1171    HB3  LEU 152           HB1      LEU 152 -27.346 -18.752 -28.218
 1172    HG   LEU 152           HG       LEU 152 -28.109 -19.398 -25.350
 1173   HD11  LEU 152          HD11      LEU 152 -25.327 -19.540 -26.504
 1174   HD12  LEU 152          HD12      LEU 152 -26.394 -20.943 -26.504
 1175   HD13  LEU 152          HD13      LEU 152 -25.922 -20.196 -24.979
 1176   HD21  LEU 152          HD21      LEU 152 -26.670 -17.122 -26.692
 1177   HD22  LEU 152          HD22      LEU 152 -26.120 -17.625 -25.094
 1178   HD23  LEU 152          HD23      LEU 152 -27.781 -17.095 -25.323
 1179    H    ASP 153           HN       ASP 153 -30.076 -16.304 -28.746
 1180    HA   ASP 153           HA       ASP 153 -31.224 -15.904 -30.735
 1181    HB2  ASP 153           HB2      ASP 153 -28.682 -15.959 -31.147
 1182    HB3  ASP 153           HB1      ASP 153 -28.967 -17.522 -31.907
 1183    H    LYS 154           HN       LYS 154 -30.886 -17.601 -33.139
 1184    HA   LYS 154           HA       LYS 154 -32.067 -20.154 -32.566
 1185    HB2  LYS 154           HB2      LYS 154 -34.218 -19.687 -33.720
 1186    HB3  LYS 154           HB1      LYS 154 -34.044 -18.780 -32.217
 1187    HG2  LYS 154           HG2      LYS 154 -33.269 -16.812 -33.504
 1188    HG3  LYS 154           HG1      LYS 154 -33.494 -17.716 -35.002
 1189    HD2  LYS 154           HD2      LYS 154 -35.892 -17.977 -34.492
 1190    HD3  LYS 154           HD1      LYS 154 -35.668 -17.082 -32.989
 1191    HE2  LYS 154           HE2      LYS 154 -34.945 -15.103 -34.248
 1192    HE3  LYS 154           HE1      LYS 154 -35.124 -15.989 -35.763
 1193    HZ1  LYS 154           HZ1      LYS 154 -37.060 -14.616 -35.288
 1194    HZ2  LYS 154           HZ2      LYS 154 -37.304 -15.441 -33.823
 1195    HZ3  LYS 154           HZ3      LYS 154 -37.469 -16.261 -35.301
 1196    H    LYS 155           HN       LYS 155 -29.811 -19.081 -34.024
 1197    HA   LYS 155           HA       LYS 155 -30.366 -19.159 -36.833
 1198    HB2  LYS 155           HB2      LYS 155 -27.919 -19.181 -37.085
 1199    HB3  LYS 155           HB1      LYS 155 -28.432 -17.940 -35.943
 1200    HG2  LYS 155           HG2      LYS 155 -27.934 -19.478 -34.064
 1201    HG3  LYS 155           HG1      LYS 155 -27.378 -20.692 -35.216
 1202    HD2  LYS 155           HD2      LYS 155 -25.639 -19.145 -36.022
 1203    HD3  LYS 155           HD1      LYS 155 -26.194 -17.921 -34.879
 1204    HE2  LYS 155           HE2      LYS 155 -25.672 -19.425 -33.000
 1205    HE3  LYS 155           HE1      LYS 155 -25.133 -20.663 -34.134
 1206    HZ1  LYS 155           HZ1      LYS 155 -23.963 -17.942 -34.026
 1207    HZ2  LYS 155           HZ2      LYS 155 -23.361 -19.302 -34.851
 1208    HZ3  LYS 155           HZ3      LYS 155 -23.335 -19.254 -33.152
 1209    H    GLU 156           HN       GLU 156 -31.412 -21.427 -35.426
 1210    HA   GLU 156           HA       GLU 156 -31.691 -23.668 -35.845
 1211    HB2  GLU 156           HB2      GLU 156 -30.903 -22.886 -38.216
 1212    HB3  GLU 156           HB1      GLU 156 -29.378 -23.647 -37.772
 1213    HG2  GLU 156           HG2      GLU 156 -30.558 -25.763 -37.314
 1214    HG3  GLU 156           HG1      GLU 156 -32.089 -25.003 -37.758
 1215    H    TYR 157           HN       TYR 157 -30.700 -25.719 -35.303
 1216    HA   TYR 157           HA       TYR 157 -28.113 -25.439 -33.888
 1217    HB2  TYR 157           HB2      TYR 157 -30.342 -27.228 -32.951
 1218    HB3  TYR 157           HB1      TYR 157 -28.901 -26.712 -32.073
 1219    HD1  TYR 157           HD2      TYR 157 -28.682 -23.921 -32.194
 1220    HD2  TYR 157           HD1      TYR 157 -32.313 -26.221 -32.194
 1221    HE1  TYR 157           HE2      TYR 157 -29.922 -21.964 -31.323
 1222    HE2  TYR 157           HE1      TYR 157 -33.551 -24.259 -31.324
 1223    HH   TYR 157           HH       TYR 157 -31.875 -21.311 -30.352
 1224    H    ARG 158           HN       ARG 158 -26.663 -26.575 -34.971
 1225    HA   ARG 158           HA       ARG 158 -27.460 -29.146 -36.181
 1226    HB2  ARG 158           HB2      ARG 158 -25.539 -28.898 -37.632
 1227    HB3  ARG 158           HB1      ARG 158 -26.527 -27.441 -37.699
 1228    HG2  ARG 158           HG2      ARG 158 -25.022 -26.374 -36.029
 1229    HG3  ARG 158           HG1      ARG 158 -23.994 -27.810 -36.082
 1230    HD2  ARG 158           HD2      ARG 158 -23.640 -27.484 -38.492
 1231    HD3  ARG 158           HD1      ARG 158 -24.673 -26.055 -38.454
 1232    HE   ARG 158           HE       ARG 158 -22.692 -25.650 -36.545
 1233   HH11  ARG 158          HH21      ARG 158 -22.964 -26.182 -39.948
 1234   HH12  ARG 158          HH22      ARG 158 -21.551 -25.265 -40.347
 1235   HH21  ARG 158          HH11      ARG 158 -20.835 -24.443 -37.054
 1236   HH22  ARG 158          HH12      ARG 158 -20.343 -24.280 -38.707
 1237    H    LYS 159           HN       LYS 159 -25.399 -27.666 -33.819
 1238    HA   LYS 159           HA       LYS 159 -24.173 -30.303 -33.229
 1239    HB2  LYS 159           HB2      LYS 159 -22.382 -28.781 -32.079
 1240    HB3  LYS 159           HB1      LYS 159 -22.346 -28.963 -33.830
 1241    HG2  LYS 159           HG2      LYS 159 -23.740 -26.839 -33.975
 1242    HG3  LYS 159           HG1      LYS 159 -23.510 -26.673 -32.247
 1243    HD2  LYS 159           HD2      LYS 159 -21.155 -26.972 -34.061
 1244    HD3  LYS 159           HD1      LYS 159 -21.904 -25.407 -33.835
 1245    HE2  LYS 159           HE2      LYS 159 -21.563 -25.578 -31.417
 1246    HE3  LYS 159           HE1      LYS 159 -20.786 -27.150 -31.635
 1247    HZ1  LYS 159           HZ1      LYS 159 -19.860 -24.532 -32.680
 1248    HZ2  LYS 159           HZ2      LYS 159 -19.163 -26.024 -33.099
 1249    HZ3  LYS 159           HZ3      LYS 159 -19.108 -25.480 -31.492
 1250    HA   PRO 160           HA       PRO 160 -26.025 -30.238 -29.274
 1251    HB2  PRO 160           HB2      PRO 160 -23.907 -31.082 -27.653
 1252    HB3  PRO 160           HB1      PRO 160 -24.993 -32.121 -28.563
 1253    HG2  PRO 160           HG2      PRO 160 -22.273 -31.200 -29.264
 1254    HG3  PRO 160           HG1      PRO 160 -23.034 -32.768 -29.561
 1255    HD2  PRO 160           HD2      PRO 160 -22.749 -30.948 -31.527
 1256    HD3  PRO 160           HD1      PRO 160 -24.155 -32.010 -31.453
 1257    H    ILE 161           HN       ILE 161 -23.283 -28.283 -29.884
 1258    HA   ILE 161           HA       ILE 161 -23.604 -26.845 -27.332
 1259    HB   ILE 161           HB       ILE 161 -21.484 -26.752 -29.467
 1260   HG12  ILE 161          HG12      ILE 161 -20.282 -27.603 -27.129
 1261   HG13  ILE 161          HG11      ILE 161 -21.851 -28.382 -27.011
 1262   HG21  ILE 161          HG21      ILE 161 -21.927 -25.155 -26.970
 1263   HG22  ILE 161          HG22      ILE 161 -21.399 -24.622 -28.573
 1264   HG23  ILE 161          HG23      ILE 161 -20.284 -25.487 -27.521
 1265   HD11  ILE 161          HD11      ILE 161 -20.604 -29.962 -28.208
 1266   HD12  ILE 161          HD12      ILE 161 -19.711 -28.730 -29.098
 1267   HD13  ILE 161          HD13      ILE 161 -21.390 -29.069 -29.513
 1268    H    ASP 162           HN       ASP 162 -24.718 -26.799 -30.433
 1269    HA   ASP 162           HA       ASP 162 -24.457 -24.123 -31.203
 1270    HB2  ASP 162           HB2      ASP 162 -25.572 -26.270 -32.437
 1271    HB3  ASP 162           HB1      ASP 162 -27.013 -25.481 -31.888
 1272    H    TRP 163           HN       TRP 163 -26.577 -25.665 -28.880
 1273    HA   TRP 163           HA       TRP 163 -28.099 -23.149 -28.565
 1274    HB2  TRP 163           HB2      TRP 163 -29.564 -24.742 -27.111
 1275    HB3  TRP 163           HB1      TRP 163 -29.658 -24.866 -28.869
 1276    HD1  TRP 163           HD1      TRP 163 -27.212 -26.365 -26.268
 1277    HE1  TRP 163           HE1      TRP 163 -27.008 -28.889 -26.739
 1278    HE3  TRP 163           HE3      TRP 163 -30.395 -26.826 -30.239
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.028 -30.820 -28.507
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.723 -29.039 -31.315
 1281    HH2  TRP 163           HH2      TRP 163 -29.507 -31.030 -30.447
 1282    H    GLY 164           HN       GLY 164 -25.320 -23.816 -27.575
 1283    HA2  GLY 164           HA2      GLY 164 -24.114 -23.173 -25.726
 1284    HA3  GLY 164           HA1      GLY 164 -25.619 -22.585 -25.035
 1285    H    ALA 165           HN       ALA 165 -25.307 -26.001 -25.931
 1286    HA   ALA 165           HA       ALA 165 -25.297 -26.649 -23.020
 1287    HB1  ALA 165           HB1      ALA 165 -26.320 -28.770 -23.613
 1288    HB2  ALA 165           HB2      ALA 165 -26.228 -28.361 -25.313
 1289    HB3  ALA 165           HB3      ALA 165 -27.289 -27.440 -24.244
 1290    H    ALA 166           HN       ALA 166 -23.805 -27.986 -22.199
 1291    HA   ALA 166           HA       ALA 166 -21.405 -28.402 -23.732
 1292    HB1  ALA 166           HB1      ALA 166 -20.502 -29.303 -21.643
 1293    HB2  ALA 166           HB2      ALA 166 -22.116 -29.321 -20.933
 1294    HB3  ALA 166           HB3      ALA 166 -21.345 -27.785 -21.330
 1295    H    SER 167           HN       SER 167 -24.028 -29.848 -24.356
 1296    HA   SER 167           HA       SER 167 -22.980 -32.208 -25.330
 1297    HB2  SER 167           HB2      SER 167 -23.708 -32.344 -22.471
 1298    HB3  SER 167           HB1      SER 167 -24.312 -33.671 -23.457
 1299    HG   SER 167           HG       SER 167 -22.286 -34.244 -23.953
 1300    HA   PRO 168           HA       PRO 168 -27.022 -32.312 -27.127
 1301    HB2  PRO 168           HB2      PRO 168 -27.271 -34.963 -27.811
 1302    HB3  PRO 168           HB1      PRO 168 -26.249 -33.836 -28.695
 1303    HG2  PRO 168           HG2      PRO 168 -25.483 -35.816 -26.627
 1304    HG3  PRO 168           HG1      PRO 168 -24.644 -35.382 -28.121
 1305    HD2  PRO 168           HD2      PRO 168 -23.858 -34.446 -25.677
 1306    HD3  PRO 168           HD1      PRO 168 -23.648 -33.496 -27.165
 1307    H    ALA 169           HN       ALA 169 -26.293 -34.752 -24.704
 1308    HA   ALA 169           HA       ALA 169 -28.768 -35.776 -24.086
 1309    HB1  ALA 169           HB1      ALA 169 -27.867 -35.959 -21.712
 1310    HB2  ALA 169           HB2      ALA 169 -26.433 -35.114 -22.297
 1311    HB3  ALA 169           HB3      ALA 169 -26.871 -36.680 -22.977
 1312    H    VAL 170           HN       VAL 170 -30.172 -33.893 -24.590
 1313    HA   VAL 170           HA       VAL 170 -30.270 -31.854 -22.468
 1314    HB   VAL 170           HB       VAL 170 -31.894 -32.113 -25.016
 1315   HG11  VAL 170          HG11      VAL 170 -31.620 -29.448 -23.745
 1316   HG12  VAL 170          HG12      VAL 170 -32.510 -30.594 -22.755
 1317   HG13  VAL 170          HG13      VAL 170 -33.056 -30.239 -24.388
 1318   HG21  VAL 170          HG21      VAL 170 -29.145 -31.251 -24.580
 1319   HG22  VAL 170          HG22      VAL 170 -30.106 -29.875 -25.111
 1320   HG23  VAL 170          HG23      VAL 170 -30.044 -31.333 -26.094
 1321    H    GLN 171           HN       GLN 171 -33.192 -32.837 -24.071
 1322    HA   GLN 171           HA       GLN 171 -34.323 -34.809 -22.828
 1323    HB2  GLN 171           HB2      GLN 171 -33.887 -32.791 -20.732
 1324    HB3  GLN 171           HB1      GLN 171 -35.525 -33.304 -20.790
 1325    HG2  GLN 171           HG2      GLN 171 -33.107 -35.063 -20.396
 1326    HG3  GLN 171           HG1      GLN 171 -34.394 -34.738 -19.275
 1327   HE21  GLN 171          HE21      GLN 171 -33.326 -36.899 -21.646
 1328   HE22  GLN 171          HE22      GLN 171 -34.776 -37.760 -21.869
 1329    H    SER 172           HN       SER 172 -36.737 -33.132 -21.712
 1330    HA   SER 172           HA       SER 172 -37.962 -32.858 -24.336
 1331    HB2  SER 172           HB2      SER 172 -39.461 -32.472 -21.790
 1332    HB3  SER 172           HB1      SER 172 -39.920 -33.339 -23.254
 1333    HG   SER 172           HG       SER 172 -38.688 -34.240 -21.025
 1334    H    PHE 173           HN       PHE 173 -40.028 -31.079 -23.456
 1335    HA   PHE 173           HA       PHE 173 -38.886 -28.604 -22.675
 1336    HB2  PHE 173           HB2      PHE 173 -38.999 -27.441 -24.840
 1337    HB3  PHE 173           HB1      PHE 173 -37.813 -28.756 -24.868
 1338    HD1  PHE 173           HD1      PHE 173 -41.258 -27.790 -25.863
 1339    HD2  PHE 173           HD2      PHE 173 -38.096 -30.666 -26.265
 1340    HE1  PHE 173           HE1      PHE 173 -42.475 -28.865 -27.735
 1341    HE2  PHE 173           HE2      PHE 173 -39.312 -31.744 -28.131
 1342    HZ   PHE 173           HZ       PHE 173 -41.504 -30.845 -28.871
 1343    H    ARG 174           HN       ARG 174 -40.443 -26.756 -23.624
 1344    HA   ARG 174           HA       ARG 174 -43.184 -27.615 -23.879
 1345    HB2  ARG 174           HB2      ARG 174 -43.879 -26.256 -21.838
 1346    HB3  ARG 174           HB1      ARG 174 -43.151 -27.829 -21.542
 1347    HG2  ARG 174           HG2      ARG 174 -41.121 -26.920 -20.802
 1348    HG3  ARG 174           HG1      ARG 174 -41.382 -25.391 -21.641
 1349    HD2  ARG 174           HD2      ARG 174 -43.003 -26.338 -19.262
 1350    HD3  ARG 174           HD1      ARG 174 -41.659 -25.194 -19.175
 1351    HE   ARG 174           HE       ARG 174 -43.387 -24.157 -21.063
 1352   HH11  ARG 174          HH21      ARG 174 -43.492 -25.108 -17.742
 1353   HH12  ARG 174          HH22      ARG 174 -44.696 -23.943 -17.301
 1354   HH21  ARG 174          HH11      ARG 174 -44.966 -22.625 -20.497
 1355   HH22  ARG 174          HH12      ARG 174 -45.531 -22.536 -18.863
 1356    H    ARG 175           HN       ARG 175 -44.277 -26.189 -25.041
 1357    HA   ARG 175           HA       ARG 175 -43.137 -23.983 -26.234
 1358    HB2  ARG 175           HB2      ARG 175 -45.364 -23.385 -26.936
 1359    HB3  ARG 175           HB1      ARG 175 -45.269 -25.144 -26.916
 1360    HG2  ARG 175           HG2      ARG 175 -46.263 -25.101 -24.602
 1361    HG3  ARG 175           HG1      ARG 175 -46.546 -23.373 -24.825
 1362    HD2  ARG 175           HD2      ARG 175 -47.879 -23.861 -26.852
 1363    HD3  ARG 175           HD1      ARG 175 -47.636 -25.585 -26.581
 1364    HE   ARG 175           HE       ARG 175 -48.706 -24.566 -24.224
 1365   HH11  ARG 175          HH21      ARG 175 -49.568 -24.832 -27.567
 1366   HH12  ARG 175          HH22      ARG 175 -51.271 -24.915 -27.262
 1367   HH21  ARG 175          HH11      ARG 175 -50.933 -24.671 -23.819
 1368   HH22  ARG 175          HH12      ARG 175 -52.045 -24.823 -25.139
 1369    H    ILE 176           HN       ILE 176 -42.847 -21.921 -25.747
 1370    HA   ILE 176           HA       ILE 176 -43.072 -21.060 -23.033
 1371    HB   ILE 176           HB       ILE 176 -42.632 -19.296 -25.449
 1372   HG12  ILE 176          HG12      ILE 176 -40.666 -20.994 -23.885
 1373   HG13  ILE 176          HG11      ILE 176 -41.085 -21.172 -25.589
 1374   HG21  ILE 176          HG21      ILE 176 -43.047 -18.317 -23.121
 1375   HG22  ILE 176          HG22      ILE 176 -41.540 -17.840 -23.899
 1376   HG23  ILE 176          HG23      ILE 176 -41.529 -19.073 -22.639
 1377   HD11  ILE 176          HD11      ILE 176 -40.330 -18.635 -25.699
 1378   HD12  ILE 176          HD12      ILE 176 -39.145 -19.933 -25.773
 1379   HD13  ILE 176          HD13      ILE 176 -39.415 -19.070 -24.259
 1380    H    VAL 177           HN       VAL 177 -44.630 -19.877 -22.047
 1381    HA   VAL 177           HA       VAL 177 -46.826 -18.767 -23.687
 1382    HB   VAL 177           HB       VAL 177 -47.216 -20.420 -21.181
 1383   HG11  VAL 177          HG11      VAL 177 -49.623 -20.277 -21.951
 1384   HG12  VAL 177          HG12      VAL 177 -49.102 -19.075 -23.134
 1385   HG13  VAL 177          HG13      VAL 177 -48.935 -18.745 -21.409
 1386   HG21  VAL 177          HG21      VAL 177 -48.362 -21.972 -22.872
 1387   HG22  VAL 177          HG22      VAL 177 -46.600 -21.944 -22.911
 1388   HG23  VAL 177          HG23      VAL 177 -47.522 -21.057 -24.124
 1389    H    GLU 178           HN       GLU 178 -48.036 -17.106 -22.619
 1390    HA   GLU 178           HA       GLU 178 -47.124 -16.102 -20.064
 1391    HB2  GLU 178           HB2      GLU 178 -45.457 -15.261 -21.830
 1392    HB3  GLU 178           HB1      GLU 178 -46.780 -14.274 -22.444
 1393    HG2  GLU 178           HG2      GLU 178 -45.570 -12.912 -20.887
 1394    HG3  GLU 178           HG1      GLU 178 -47.063 -13.395 -20.088
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1 -47.701  -3.391 -31.034
    2    H2   GLY   1           HT2      GLY   1 -47.686  -5.087 -31.144
    3    H3   GLY   1           HT3      GLY   1 -46.306  -4.192 -31.573
    4    HA2  GLY   1           HA2      GLY   1 -47.336  -3.851 -28.859
    5    HA3  GLY   1           HA1      GLY   1 -46.518  -5.369 -29.238
    6    H    SER   2           HN       SER   2 -46.148  -1.839 -29.556
    7    HA   SER   2           HA       SER   2 -43.209  -2.143 -29.583
    8    HB2  SER   2           HB2      SER   2 -43.296   0.317 -30.162
    9    HB3  SER   2           HB1      SER   2 -44.001  -0.761 -31.362
   10    HG   SER   2           HG       SER   2 -45.501   0.471 -29.297
   11    H    LYS   3           HN       LYS   3 -45.886  -0.847 -27.727
   12    HA   LYS   3           HA       LYS   3 -44.060   0.367 -25.759
   13    HB2  LYS   3           HB2      LYS   3 -47.074   0.448 -26.027
   14    HB3  LYS   3           HB1      LYS   3 -46.142   1.271 -24.771
   15    HG2  LYS   3           HG2      LYS   3 -44.909   2.515 -26.498
   16    HG3  LYS   3           HG1      LYS   3 -45.827   1.694 -27.755
   17    HD2  LYS   3           HD2      LYS   3 -46.950   3.764 -27.490
   18    HD3  LYS   3           HD1      LYS   3 -47.936   2.612 -26.593
   19    HE2  LYS   3           HE2      LYS   3 -47.080   3.366 -24.494
   20    HE3  LYS   3           HE1      LYS   3 -45.772   4.263 -25.265
   21    HZ1  LYS   3           HZ1      LYS   3 -47.143   5.993 -25.125
   22    HZ2  LYS   3           HZ2      LYS   3 -48.503   5.023 -24.817
   23    HZ3  LYS   3           HZ3      LYS   3 -47.994   5.290 -26.415
   24    H    THR   4           HN       THR   4 -45.448  -2.574 -26.356
   25    HA   THR   4           HA       THR   4 -46.217  -3.267 -23.658
   26    HB   THR   4           HB       THR   4 -46.479  -5.541 -24.583
   27    HG1  THR   4           HG1      THR   4 -45.681  -6.037 -26.480
   28   HG21  THR   4          HG21      THR   4 -47.601  -3.258 -26.224
   29   HG22  THR   4          HG22      THR   4 -48.346  -4.034 -24.826
   30   HG23  THR   4          HG23      THR   4 -48.175  -4.921 -26.342
   31    H    GLY   5           HN       GLY   5 -43.634  -2.226 -23.692
   32    HA2  GLY   5           HA2      GLY   5 -41.561  -4.126 -23.866
   33    HA3  GLY   5           HA1      GLY   5 -41.521  -2.664 -22.881
   34    H    THR   6           HN       THR   6 -40.368  -5.095 -22.044
   35    HA   THR   6           HA       THR   6 -42.180  -5.951 -19.858
   36    HB   THR   6           HB       THR   6 -41.247  -8.090 -19.933
   37    HG1  THR   6           HG1      THR   6 -39.131  -6.894 -21.391
   38   HG21  THR   6          HG21      THR   6 -40.903  -7.294 -22.818
   39   HG22  THR   6          HG22      THR   6 -42.497  -7.385 -22.070
   40   HG23  THR   6          HG23      THR   6 -41.485  -8.826 -22.169
   41    H    LYS   7           HN       LYS   7 -41.591  -5.088 -17.938
   42    HA   LYS   7           HA       LYS   7 -38.789  -4.257 -17.539
   43    HB2  LYS   7           HB2      LYS   7 -40.140  -2.451 -16.970
   44    HB3  LYS   7           HB1      LYS   7 -41.444  -3.481 -16.389
   45    HG2  LYS   7           HG2      LYS   7 -40.283  -3.966 -14.342
   46    HG3  LYS   7           HG1      LYS   7 -38.783  -3.242 -14.957
   47    HD2  LYS   7           HD2      LYS   7 -39.629  -1.060 -14.770
   48    HD3  LYS   7           HD1      LYS   7 -41.296  -1.612 -14.671
   49    HE2  LYS   7           HE2      LYS   7 -40.990  -2.459 -12.457
   50    HE3  LYS   7           HE1      LYS   7 -39.239  -2.342 -12.572
   51    HZ1  LYS   7           HZ1      LYS   7 -39.941   0.188 -13.003
   52    HZ2  LYS   7           HZ2      LYS   7 -39.592  -0.440 -11.464
   53    HZ3  LYS   7           HZ3      LYS   7 -41.204  -0.293 -11.979
   54    H    ILE   8           HN       ILE   8 -37.756  -4.709 -15.487
   55    HA   ILE   8           HA       ILE   8 -38.822  -6.932 -13.915
   56    HB   ILE   8           HB       ILE   8 -37.503  -7.981 -15.724
   57   HG12  ILE   8          HG12      ILE   8 -36.004  -8.240 -13.114
   58   HG13  ILE   8          HG11      ILE   8 -37.656  -8.839 -13.285
   59   HG21  ILE   8          HG21      ILE   8 -35.202  -6.445 -14.485
   60   HG22  ILE   8          HG22      ILE   8 -35.888  -6.161 -16.085
   61   HG23  ILE   8          HG23      ILE   8 -35.071  -7.679 -15.726
   62   HD11  ILE   8          HD11      ILE   8 -37.047 -10.471 -14.839
   63   HD12  ILE   8          HD12      ILE   8 -35.640 -10.450 -13.777
   64   HD13  ILE   8          HD13      ILE   8 -35.585  -9.615 -15.330
   65    H    THR   9           HN       THR   9 -38.203  -6.981 -11.797
   66    HA   THR   9           HA       THR   9 -36.192  -5.000 -10.961
   67    HB   THR   9           HB       THR   9 -38.787  -5.623  -9.544
   68    HG1  THR   9           HG1      THR   9 -38.346  -3.068 -10.296
   69   HG21  THR   9          HG21      THR   9 -38.087  -3.699  -8.112
   70   HG22  THR   9          HG22      THR   9 -36.535  -3.684  -8.950
   71   HG23  THR   9          HG23      THR   9 -37.000  -5.082  -7.980
   72    H    PHE  10           HN       PHE  10 -34.766  -5.609  -9.430
   73    HA   PHE  10           HA       PHE  10 -34.997  -8.380  -8.379
   74    HB2  PHE  10           HB2      PHE  10 -32.469  -6.816  -8.983
   75    HB3  PHE  10           HB1      PHE  10 -32.580  -8.500  -8.471
   76    HD1  PHE  10           HD2      PHE  10 -33.592 -10.209  -9.991
   77    HD2  PHE  10           HD1      PHE  10 -32.844  -6.179 -11.265
   78    HE1  PHE  10           HE2      PHE  10 -33.831 -10.912 -12.356
   79    HE2  PHE  10           HE1      PHE  10 -33.077  -6.883 -13.632
   80    HZ   PHE  10           HZ       PHE  10 -33.576  -9.250 -14.176
   81    H    TYR  11           HN       TYR  11 -35.426  -8.307  -6.247
   82    HA   TYR  11           HA       TYR  11 -34.621  -5.954  -4.682
   83    HB2  TYR  11           HB2      TYR  11 -36.501  -8.258  -4.125
   84    HB3  TYR  11           HB1      TYR  11 -36.110  -7.000  -2.954
   85    HD1  TYR  11           HD1      TYR  11 -37.788  -7.723  -6.155
   86    HD2  TYR  11           HD2      TYR  11 -36.870  -4.712  -3.235
   87    HE1  TYR  11           HE1      TYR  11 -39.512  -6.241  -7.144
   88    HE2  TYR  11           HE2      TYR  11 -38.592  -3.223  -4.229
   89    HH   TYR  11           HH       TYR  11 -39.707  -2.978  -6.536
   90    H    GLU  12           HN       GLU  12 -33.242  -6.013  -3.018
   91    HA   GLU  12           HA       GLU  12 -31.286  -8.021  -2.938
   92    HB2  GLU  12           HB2      GLU  12 -31.345  -5.517  -2.034
   93    HB3  GLU  12           HB1      GLU  12 -31.770  -6.307  -0.528
   94    HG2  GLU  12           HG2      GLU  12 -29.362  -7.153  -2.162
   95    HG3  GLU  12           HG1      GLU  12 -29.288  -5.890  -0.943
   96    H    ASP  13           HN       ASP  13 -33.904  -7.263  -0.654
   97    HA   ASP  13           HA       ASP  13 -33.525  -9.861   0.632
   98    HB2  ASP  13           HB2      ASP  13 -35.162  -7.428   1.338
   99    HB3  ASP  13           HB1      ASP  13 -35.277  -8.952   2.213
  100    H    LYS  14           HN       LYS  14 -35.811 -10.666   1.429
  101    HA   LYS  14           HA       LYS  14 -37.165 -11.529  -0.969
  102    HB2  LYS  14           HB2      LYS  14 -37.361 -12.227   1.945
  103    HB3  LYS  14           HB1      LYS  14 -38.549 -12.807   0.784
  104    HG2  LYS  14           HG2      LYS  14 -36.831 -13.894  -0.535
  105    HG3  LYS  14           HG1      LYS  14 -35.558 -13.195   0.457
  106    HD2  LYS  14           HD2      LYS  14 -37.692 -14.884   1.766
  107    HD3  LYS  14           HD1      LYS  14 -36.374 -15.676   0.909
  108    HE2  LYS  14           HE2      LYS  14 -34.752 -14.367   2.297
  109    HE3  LYS  14           HE1      LYS  14 -36.116 -13.723   3.214
  110    HZ1  LYS  14           HZ1      LYS  14 -36.278 -16.547   2.981
  111    HZ2  LYS  14           HZ2      LYS  14 -36.248 -15.582   4.380
  112    HZ3  LYS  14           HZ3      LYS  14 -34.794 -16.089   3.664
  113    H    ASN  15           HN       ASN  15 -39.653 -11.815  -0.509
  114    HA   ASN  15           HA       ASN  15 -41.647 -10.737  -0.755
  115    HB2  ASN  15           HB2      ASN  15 -40.858  -9.179   1.703
  116    HB3  ASN  15           HB1      ASN  15 -42.446  -9.769   1.230
  117   HD21  ASN  15          HD21      ASN  15 -41.023 -12.418   0.416
  118   HD22  ASN  15          HD22      ASN  15 -40.831 -13.213   1.906
  119    H    PHE  16           HN       PHE  16 -39.257  -9.428  -1.963
  120    HA   PHE  16           HA       PHE  16 -38.766  -7.565  -3.138
  121    HB2  PHE  16           HB2      PHE  16 -41.405  -6.267  -2.653
  122    HB3  PHE  16           HB1      PHE  16 -40.515  -6.478  -4.161
  123    HD1  PHE  16           HD2      PHE  16 -40.273  -8.928  -5.024
  124    HD2  PHE  16           HD1      PHE  16 -43.230  -7.661  -2.184
  125    HE1  PHE  16           HE2      PHE  16 -41.656 -10.908  -5.584
  126    HE2  PHE  16           HE1      PHE  16 -44.612  -9.643  -2.740
  127    HZ   PHE  16           HZ       PHE  16 -43.826 -11.266  -4.438
  128    H    GLN  17           HN       GLN  17 -37.970  -7.559  -0.477
  129    HA   GLN  17           HA       GLN  17 -38.429  -4.777   0.420
  130    HB2  GLN  17           HB2      GLN  17 -37.509  -7.245   1.909
  131    HB3  GLN  17           HB1      GLN  17 -37.517  -5.620   2.598
  132    HG2  GLN  17           HG2      GLN  17 -39.928  -5.445   2.247
  133    HG3  GLN  17           HG1      GLN  17 -39.950  -7.025   1.457
  134   HE21  GLN  17          HE21      GLN  17 -39.474  -8.930   2.816
  135   HE22  GLN  17          HE22      GLN  17 -39.674  -8.846   4.502
  136    H    GLY  18           HN       GLY  18 -36.447  -4.015   1.734
  137    HA2  GLY  18           HA2      GLY  18 -34.247  -3.357   1.779
  138    HA3  GLY  18           HA1      GLY  18 -33.860  -4.868   0.967
  139    H    ARG  19           HN       ARG  19 -32.323  -3.715  -0.219
  140    HA   ARG  19           HA       ARG  19 -32.772  -1.484  -1.869
  141    HB2  ARG  19           HB2      ARG  19 -30.570  -3.042  -1.390
  142    HB3  ARG  19           HB1      ARG  19 -30.953  -3.531  -3.037
  143    HG2  ARG  19           HG2      ARG  19 -30.990  -1.146  -3.722
  144    HG3  ARG  19           HG1      ARG  19 -30.519  -0.688  -2.085
  145    HD2  ARG  19           HD2      ARG  19 -28.926  -2.504  -3.915
  146    HD3  ARG  19           HD1      ARG  19 -28.559  -0.812  -3.596
  147    HE   ARG  19           HE       ARG  19 -28.090  -3.053  -1.813
  148   HH11  ARG  19          HH21      ARG  19 -28.542   0.357  -2.161
  149   HH12  ARG  19          HH22      ARG  19 -27.715   0.757  -0.692
  150   HH21  ARG  19          HH11      ARG  19 -27.011  -2.540   0.119
  151   HH22  ARG  19          HH12      ARG  19 -26.849  -0.885   0.600
  152    H    ARG  20           HN       ARG  20 -32.633  -1.728  -4.458
  153    HA   ARG  20           HA       ARG  20 -33.929  -3.951  -5.602
  154    HB2  ARG  20           HB2      ARG  20 -36.080  -3.028  -6.139
  155    HB3  ARG  20           HB1      ARG  20 -35.867  -2.901  -4.393
  156    HG2  ARG  20           HG2      ARG  20 -36.420  -0.694  -4.670
  157    HG3  ARG  20           HG1      ARG  20 -34.767  -0.505  -5.257
  158    HD2  ARG  20           HD2      ARG  20 -35.704  -1.130  -7.575
  159    HD3  ARG  20           HD1      ARG  20 -37.294  -0.861  -6.873
  160    HE   ARG  20           HE       ARG  20 -35.296   1.175  -7.463
  161   HH11  ARG  20          HH21      ARG  20 -38.191   0.288  -5.786
  162   HH12  ARG  20          HH22      ARG  20 -38.745   1.918  -5.596
  163   HH21  ARG  20          HH11      ARG  20 -36.015   3.315  -7.211
  164   HH22  ARG  20          HH12      ARG  20 -37.514   3.631  -6.403
  165    H    TYR  21           HN       TYR  21 -33.930  -3.800  -7.890
  166    HA   TYR  21           HA       TYR  21 -32.823  -1.301  -9.040
  167    HB2  TYR  21           HB2      TYR  21 -31.055  -3.111  -8.787
  168    HB3  TYR  21           HB1      TYR  21 -32.007  -4.081  -9.909
  169    HD1  TYR  21           HD1      TYR  21 -30.613  -0.619  -9.577
  170    HD2  TYR  21           HD2      TYR  21 -31.567  -3.873 -12.216
  171    HE1  TYR  21           HE1      TYR  21 -29.611   0.624 -11.472
  172    HE2  TYR  21           HE2      TYR  21 -30.561  -2.625 -14.112
  173    HH   TYR  21           HH       TYR  21 -28.814   0.380 -13.613
  174    H    ASP  22           HN       ASP  22 -33.896  -0.642 -10.834
  175    HA   ASP  22           HA       ASP  22 -35.833  -2.535 -12.069
  176    HB2  ASP  22           HB2      ASP  22 -37.035  -0.801 -10.906
  177    HB3  ASP  22           HB1      ASP  22 -36.045   0.450 -11.648
  178    H    CYS  23           HN       CYS  23 -35.943  -2.620 -14.293
  179    HA   CYS  23           HA       CYS  23 -34.570  -0.729 -15.955
  180    HB2  CYS  23           HB2      CYS  23 -33.341  -3.120 -16.826
  181    HB3  CYS  23           HB1      CYS  23 -32.548  -1.779 -16.003
  182    HG   CYS  23           HG       CYS  23 -33.277  -4.472 -14.732
  183    H    ASP  24           HN       ASP  24 -35.369  -0.778 -18.017
  184    HA   ASP  24           HA       ASP  24 -37.243  -2.949 -18.688
  185    HB2  ASP  24           HB2      ASP  24 -38.468  -0.901 -18.189
  186    HB3  ASP  24           HB1      ASP  24 -37.498  -0.019 -19.369
  187    H    CYS  25           HN       CYS  25 -34.299  -2.400 -19.331
  188    HA   CYS  25           HA       CYS  25 -34.525  -2.994 -22.190
  189    HB2  CYS  25           HB2      CYS  25 -32.942  -0.636 -21.133
  190    HB3  CYS  25           HB1      CYS  25 -32.800  -1.283 -22.765
  191    HG   CYS  25           HG       CYS  25 -34.587   0.714 -22.652
  192    H    ASP  26           HN       ASP  26 -32.740  -4.092 -23.035
  193    HA   ASP  26           HA       ASP  26 -31.391  -5.919 -21.587
  194    HB2  ASP  26           HB2      ASP  26 -31.230  -5.941 -23.978
  195    HB3  ASP  26           HB1      ASP  26 -30.408  -4.383 -24.000
  196    H    CYS  27           HN       CYS  27 -29.240  -6.107 -20.741
  197    HA   CYS  27           HA       CYS  27 -27.722  -3.698 -20.157
  198    HB2  CYS  27           HB2      CYS  27 -29.257  -3.521 -18.336
  199    HB3  CYS  27           HB1      CYS  27 -29.168  -5.247 -18.002
  200    HG   CYS  27           HG       CYS  27 -27.564  -3.656 -16.425
  201    H    ALA  28           HN       ALA  28 -25.643  -4.242 -19.082
  202    HA   ALA  28           HA       ALA  28 -24.715  -6.883 -19.980
  203    HB1  ALA  28           HB1      ALA  28 -23.510  -4.702 -20.532
  204    HB2  ALA  28           HB2      ALA  28 -22.521  -6.000 -19.860
  205    HB3  ALA  28           HB3      ALA  28 -23.032  -4.657 -18.835
  206    H    ASP  29           HN       ASP  29 -24.322  -4.820 -17.107
  207    HA   ASP  29           HA       ASP  29 -24.639  -7.129 -15.350
  208    HB2  ASP  29           HB2      ASP  29 -22.507  -6.775 -14.208
  209    HB3  ASP  29           HB1      ASP  29 -22.235  -7.147 -15.910
  210    H    PHE  30           HN       PHE  30 -26.192  -6.366 -14.074
  211    HA   PHE  30           HA       PHE  30 -26.050  -3.589 -13.098
  212    HB2  PHE  30           HB2      PHE  30 -28.347  -3.615 -12.900
  213    HB3  PHE  30           HB1      PHE  30 -28.174  -4.836 -14.159
  214    HD1  PHE  30           HD2      PHE  30 -28.074  -7.285 -13.454
  215    HD2  PHE  30           HD1      PHE  30 -29.283  -4.153 -10.797
  216    HE1  PHE  30           HE2      PHE  30 -29.181  -8.958 -11.991
  217    HE2  PHE  30           HE1      PHE  30 -30.390  -5.811  -9.337
  218    HZ   PHE  30           HZ       PHE  30 -30.345  -8.219  -9.931
  219    H    HIS  31           HN       HIS  31 -24.712  -6.315 -12.222
  220    HA   HIS  31           HA       HIS  31 -25.528  -6.877  -9.600
  221    HB2  HIS  31           HB2      HIS  31 -24.019  -8.351 -10.826
  222    HB3  HIS  31           HB1      HIS  31 -22.762  -7.109 -10.802
  223    HD2  HIS  31           HD2      HIS  31 -21.352  -6.928  -8.371
  224    HE1  HIS  31           HE1      HIS  31 -23.668  -9.723  -6.212
  225    HE2  HIS  31           HE2      HIS  31 -21.588  -8.267  -6.140
  226    H    THR  32           HN       THR  32 -23.623  -4.323 -10.921
  227    HA   THR  32           HA       THR  32 -22.334  -3.468  -8.551
  228    HB   THR  32           HB       THR  32 -22.091  -1.280  -9.711
  229    HG1  THR  32           HG1      THR  32 -22.934  -1.271 -11.891
  230   HG21  THR  32          HG21      THR  32 -20.906  -2.248 -11.733
  231   HG22  THR  32          HG22      THR  32 -21.555  -3.819 -11.265
  232   HG23  THR  32          HG23      THR  32 -20.451  -2.964 -10.188
  233    H    TYR  33           HN       TYR  33 -25.570  -2.953  -9.774
  234    HA   TYR  33           HA       TYR  33 -26.172  -0.881  -7.812
  235    HB2  TYR  33           HB2      TYR  33 -27.895  -2.284  -9.854
  236    HB3  TYR  33           HB1      TYR  33 -28.430  -0.963  -8.818
  237    HD1  TYR  33           HD2      TYR  33 -27.033   1.236  -8.871
  238    HD2  TYR  33           HD1      TYR  33 -26.853  -1.785 -11.914
  239    HE1  TYR  33           HE2      TYR  33 -26.087   2.891 -10.459
  240    HE2  TYR  33           HE1      TYR  33 -25.902  -0.133 -13.502
  241    HH   TYR  33           HH       TYR  33 -25.540   3.282 -12.598
  242    H    LEU  34           HN       LEU  34 -26.169  -4.252  -7.898
  243    HA   LEU  34           HA       LEU  34 -27.695  -4.341  -5.403
  244    HB2  LEU  34           HB2      LEU  34 -29.213  -4.859  -7.413
  245    HB3  LEU  34           HB1      LEU  34 -28.277  -6.340  -7.586
  246    HG   LEU  34           HG       LEU  34 -28.806  -6.878  -5.204
  247   HD11  LEU  34          HD11      LEU  34 -29.418  -5.014  -4.010
  248   HD12  LEU  34          HD12      LEU  34 -31.034  -5.501  -4.506
  249   HD13  LEU  34          HD13      LEU  34 -30.185  -4.241  -5.397
  250   HD21  LEU  34          HD21      LEU  34 -31.004  -6.546  -7.228
  251   HD22  LEU  34          HD22      LEU  34 -31.320  -7.305  -5.672
  252   HD23  LEU  34          HD23      LEU  34 -30.147  -8.019  -6.785
  253    H    SER  35           HN       SER  35 -26.913  -5.804  -3.955
  254    HA   SER  35           HA       SER  35 -24.454  -7.229  -4.758
  255    HB2  SER  35           HB2      SER  35 -25.540  -6.254  -2.127
  256    HB3  SER  35           HB1      SER  35 -24.274  -7.476  -2.180
  257    HG   SER  35           HG       SER  35 -24.080  -4.833  -2.506
  258    H    ARG  36           HN       ARG  36 -27.735  -7.790  -4.134
  259    HA   ARG  36           HA       ARG  36 -27.321 -10.668  -4.222
  260    HB2  ARG  36           HB2      ARG  36 -27.284  -9.950  -1.757
  261    HB3  ARG  36           HB1      ARG  36 -28.984  -9.542  -1.975
  262    HG2  ARG  36           HG2      ARG  36 -29.331 -11.893  -2.857
  263    HG3  ARG  36           HG1      ARG  36 -27.694 -12.254  -2.308
  264    HD2  ARG  36           HD2      ARG  36 -30.045 -11.371  -0.620
  265    HD3  ARG  36           HD1      ARG  36 -29.188 -12.909  -0.543
  266    HE   ARG  36           HE       ARG  36 -27.421 -10.709  -0.072
  267   HH11  ARG  36          HH21      ARG  36 -29.897 -12.681   1.324
  268   HH12  ARG  36          HH22      ARG  36 -29.371 -12.430   2.954
  269   HH21  ARG  36          HH11      ARG  36 -26.726 -10.373   2.066
  270   HH22  ARG  36          HH12      ARG  36 -27.575 -11.123   3.374
  271    H    CYS  37           HN       CYS  37 -29.071 -11.739  -5.097
  272    HA   CYS  37           HA       CYS  37 -31.368 -10.041  -5.904
  273    HB2  CYS  37           HB2      CYS  37 -31.457 -12.027  -7.695
  274    HB3  CYS  37           HB1      CYS  37 -30.408 -10.627  -7.910
  275    HG   CYS  37           HG       CYS  37 -29.303 -13.272  -7.892
  276    H    ASN  38           HN       ASN  38 -32.952 -10.413  -4.599
  277    HA   ASN  38           HA       ASN  38 -33.725 -13.196  -3.922
  278    HB2  ASN  38           HB2      ASN  38 -33.953 -10.614  -2.376
  279    HB3  ASN  38           HB1      ASN  38 -34.857 -12.060  -1.942
  280   HD21  ASN  38          HD21      ASN  38 -33.280 -11.532   0.083
  281   HD22  ASN  38          HD22      ASN  38 -31.811 -12.388   0.055
  282    H    SER  39           HN       SER  39 -36.267 -12.306  -2.934
  283    HA   SER  39           HA       SER  39 -38.123 -12.754  -4.630
  284    HB2  SER  39           HB2      SER  39 -39.444 -10.752  -3.790
  285    HB3  SER  39           HB1      SER  39 -38.767 -11.819  -2.578
  286    HG   SER  39           HG       SER  39 -36.881 -10.138  -3.054
  287    H    ILE  40           HN       ILE  40 -39.061 -12.159  -6.421
  288    HA   ILE  40           HA       ILE  40 -38.227  -9.699  -7.833
  289    HB   ILE  40           HB       ILE  40 -37.846 -12.530  -8.799
  290   HG12  ILE  40          HG12      ILE  40 -35.921 -10.289  -9.390
  291   HG13  ILE  40          HG11      ILE  40 -36.050 -10.797  -7.715
  292   HG21  ILE  40          HG21      ILE  40 -38.329 -10.054 -10.455
  293   HG22  ILE  40          HG22      ILE  40 -38.990 -11.675 -10.663
  294   HG23  ILE  40          HG23      ILE  40 -37.303 -11.353 -11.066
  295   HD11  ILE  40          HD11      ILE  40 -35.410 -12.579 -10.067
  296   HD12  ILE  40          HD12      ILE  40 -35.626 -13.145  -8.410
  297   HD13  ILE  40          HD13      ILE  40 -34.292 -12.064  -8.804
  298    H    LYS  41           HN       LYS  41 -39.697  -8.886  -9.228
  299    HA   LYS  41           HA       LYS  41 -42.045 -10.412 -10.020
  300    HB2  LYS  41           HB2      LYS  41 -43.512  -8.465  -9.107
  301    HB3  LYS  41           HB1      LYS  41 -42.993  -9.741  -8.010
  302    HG2  LYS  41           HG2      LYS  41 -41.372  -8.412  -7.004
  303    HG3  LYS  41           HG1      LYS  41 -41.309  -7.283  -8.343
  304    HD2  LYS  41           HD2      LYS  41 -42.515  -6.480  -6.218
  305    HD3  LYS  41           HD1      LYS  41 -43.373  -6.274  -7.743
  306    HE2  LYS  41           HE2      LYS  41 -44.871  -8.006  -7.285
  307    HE3  LYS  41           HE1      LYS  41 -43.788  -8.791  -6.139
  308    HZ1  LYS  41           HZ1      LYS  41 -44.457  -6.138  -5.334
  309    HZ2  LYS  41           HZ2      LYS  41 -44.606  -7.597  -4.475
  310    HZ3  LYS  41           HZ3      LYS  41 -45.843  -7.095  -5.527
  311    H    VAL  42           HN       VAL  42 -41.776 -10.027 -12.182
  312    HA   VAL  42           HA       VAL  42 -40.866  -7.595 -13.215
  313    HB   VAL  42           HB       VAL  42 -42.197 -10.074 -14.262
  314   HG11  VAL  42          HG11      VAL  42 -42.044  -7.448 -15.685
  315   HG12  VAL  42          HG12      VAL  42 -43.214  -8.723 -15.821
  316   HG13  VAL  42          HG13      VAL  42 -41.657  -8.884 -16.603
  317   HG21  VAL  42          HG21      VAL  42 -40.108 -10.417 -15.372
  318   HG22  VAL  42          HG22      VAL  42 -39.715  -9.878 -13.737
  319   HG23  VAL  42          HG23      VAL  42 -39.608  -8.753 -15.091
  320    H    GLU  43           HN       GLU  43 -41.931  -5.938 -14.180
  321    HA   GLU  43           HA       GLU  43 -44.826  -5.699 -13.608
  322    HB2  GLU  43           HB2      GLU  43 -42.632  -3.618 -13.647
  323    HB3  GLU  43           HB1      GLU  43 -44.351  -3.250 -13.511
  324    HG2  GLU  43           HG2      GLU  43 -44.473  -4.664 -11.484
  325    HG3  GLU  43           HG1      GLU  43 -42.745  -4.966 -11.604
  326    H    GLY  44           HN       GLY  44 -44.164  -6.976 -15.912
  327    HA2  GLY  44           HA2      GLY  44 -45.241  -5.237 -17.908
  328    HA3  GLY  44           HA1      GLY  44 -43.529  -5.488 -18.150
  329    H    GLY  45           HN       GLY  45 -42.785  -7.464 -18.969
  330    HA2  GLY  45           HA2      GLY  45 -44.815  -9.549 -19.551
  331    HA3  GLY  45           HA1      GLY  45 -43.764  -8.933 -20.818
  332    H    THR  46           HN       THR  46 -42.628 -10.826 -21.265
  333    HA   THR  46           HA       THR  46 -41.501 -12.399 -19.122
  334    HB   THR  46           HB       THR  46 -41.155 -12.612 -22.124
  335    HG1  THR  46           HG1      THR  46 -42.500 -14.596 -21.035
  336   HG21  THR  46          HG21      THR  46 -39.305 -13.756 -21.206
  337   HG22  THR  46          HG22      THR  46 -40.521 -15.016 -21.408
  338   HG23  THR  46          HG23      THR  46 -40.234 -14.319 -19.815
  339    H    TRP  47           HN       TRP  47 -39.161 -13.027 -19.215
  340    HA   TRP  47           HA       TRP  47 -37.322 -11.019 -20.225
  341    HB2  TRP  47           HB2      TRP  47 -38.135 -11.213 -17.374
  342    HB3  TRP  47           HB1      TRP  47 -36.406 -11.061 -17.655
  343    HD1  TRP  47           HD1      TRP  47 -39.522  -9.119 -17.462
  344    HE1  TRP  47           HE1      TRP  47 -39.029  -6.631 -17.975
  345    HE3  TRP  47           HE3      TRP  47 -34.887  -9.563 -19.534
  346    HZ2  TRP  47           HZ2      TRP  47 -36.930  -5.076 -19.194
  347    HZ3  TRP  47           HZ3      TRP  47 -33.689  -7.570 -20.394
  348    HH2  TRP  47           HH2      TRP  47 -34.715  -5.331 -20.233
  349    H    ALA  48           HN       ALA  48 -35.142 -11.610 -19.983
  350    HA   ALA  48           HA       ALA  48 -34.668 -14.488 -19.446
  351    HB1  ALA  48           HB1      ALA  48 -34.326 -14.123 -21.783
  352    HB2  ALA  48           HB2      ALA  48 -32.726 -14.179 -21.048
  353    HB3  ALA  48           HB3      ALA  48 -33.441 -12.628 -21.490
  354    H    VAL  49           HN       VAL  49 -33.459 -14.789 -17.714
  355    HA   VAL  49           HA       VAL  49 -31.608 -12.625 -16.854
  356    HB   VAL  49           HB       VAL  49 -31.930 -13.728 -14.559
  357   HG11  VAL  49          HG11      VAL  49 -34.352 -12.432 -15.841
  358   HG12  VAL  49          HG12      VAL  49 -32.939 -11.547 -15.267
  359   HG13  VAL  49          HG13      VAL  49 -33.947 -12.434 -14.124
  360   HG21  VAL  49          HG21      VAL  49 -33.966 -15.016 -14.248
  361   HG22  VAL  49          HG22      VAL  49 -32.986 -15.788 -15.493
  362   HG23  VAL  49          HG23      VAL  49 -34.386 -14.820 -15.951
  363    H    TYR  50           HN       TYR  50 -29.529 -13.099 -16.673
  364    HA   TYR  50           HA       TYR  50 -28.672 -15.906 -17.062
  365    HB2  TYR  50           HB2      TYR  50 -27.244 -13.263 -17.455
  366    HB3  TYR  50           HB1      TYR  50 -26.472 -14.840 -17.622
  367    HD1  TYR  50           HD1      TYR  50 -29.295 -12.761 -18.898
  368    HD2  TYR  50           HD2      TYR  50 -26.665 -16.076 -19.631
  369    HE1  TYR  50           HE1      TYR  50 -30.164 -12.937 -21.212
  370    HE2  TYR  50           HE2      TYR  50 -27.538 -16.257 -21.947
  371    HH   TYR  50           HH       TYR  50 -30.307 -14.411 -23.012
  372    H    GLU  51           HN       GLU  51 -28.319 -16.899 -15.168
  373    HA   GLU  51           HA       GLU  51 -28.114 -16.062 -12.657
  374    HB2  GLU  51           HB2      GLU  51 -27.838 -18.406 -13.337
  375    HB3  GLU  51           HB1      GLU  51 -26.191 -18.065 -13.864
  376    HG2  GLU  51           HG2      GLU  51 -25.595 -17.415 -11.561
  377    HG3  GLU  51           HG1      GLU  51 -27.248 -17.739 -11.037
  378    H    ARG  52           HN       ARG  52 -25.564 -15.656 -15.047
  379    HA   ARG  52           HA       ARG  52 -24.099 -13.995 -13.102
  380    HB2  ARG  52           HB2      ARG  52 -22.678 -15.352 -15.354
  381    HB3  ARG  52           HB1      ARG  52 -22.037 -14.803 -13.821
  382    HG2  ARG  52           HG2      ARG  52 -23.258 -16.565 -12.649
  383    HG3  ARG  52           HG1      ARG  52 -23.961 -17.114 -14.156
  384    HD2  ARG  52           HD2      ARG  52 -20.983 -16.965 -13.799
  385    HD3  ARG  52           HD1      ARG  52 -21.882 -18.371 -13.263
  386    HE   ARG  52           HE       ARG  52 -22.603 -17.857 -15.915
  387   HH11  ARG  52          HH21      ARG  52 -19.822 -18.698 -14.050
  388   HH12  ARG  52          HH22      ARG  52 -19.072 -19.604 -15.321
  389   HH21  ARG  52          HH11      ARG  52 -21.633 -19.052 -17.590
  390   HH22  ARG  52          HH12      ARG  52 -20.096 -19.806 -17.325
  391    HA   PRO  53           HA       PRO  53 -24.300 -10.762 -16.140
  392    HB2  PRO  53           HB2      PRO  53 -21.657  -9.703 -15.532
  393    HB3  PRO  53           HB1      PRO  53 -23.234  -9.072 -15.046
  394    HG2  PRO  53           HG2      PRO  53 -21.386 -10.215 -13.336
  395    HG3  PRO  53           HG1      PRO  53 -23.115 -10.029 -13.001
  396    HD2  PRO  53           HD2      PRO  53 -21.613 -12.496 -13.803
  397    HD3  PRO  53           HD1      PRO  53 -23.068 -12.296 -12.812
  398    H    ASN  54           HN       ASN  54 -23.319  -9.842 -18.000
  399    HA   ASN  54           HA       ASN  54 -22.021  -9.805 -19.904
  400    HB2  ASN  54           HB2      ASN  54 -19.987 -10.863 -19.986
  401    HB3  ASN  54           HB1      ASN  54 -20.278 -11.095 -18.271
  402   HD21  ASN  54          HD21      ASN  54 -22.392 -13.182 -18.731
  403   HD22  ASN  54          HD22      ASN  54 -21.562 -14.559 -19.253
  404    H    PHE  55           HN       PHE  55 -24.043 -12.238 -18.789
  405    HA   PHE  55           HA       PHE  55 -25.706 -13.356 -19.949
  406    HB2  PHE  55           HB2      PHE  55 -24.192 -13.046 -22.539
  407    HB3  PHE  55           HB1      PHE  55 -25.909 -13.329 -22.289
  408    HD1  PHE  55           HD2      PHE  55 -26.922 -11.457 -20.504
  409    HD2  PHE  55           HD1      PHE  55 -23.733 -10.879 -23.325
  410    HE1  PHE  55           HE2      PHE  55 -27.350  -9.030 -20.489
  411    HE2  PHE  55           HE1      PHE  55 -24.158  -8.438 -23.303
  412    HZ   PHE  55           HZ       PHE  55 -25.961  -7.511 -21.889
  413    H    ALA  56           HN       ALA  56 -23.858 -14.759 -18.513
  414    HA   ALA  56           HA       ALA  56 -23.649 -17.189 -20.112
  415    HB1  ALA  56           HB1      ALA  56 -21.444 -15.954 -20.396
  416    HB2  ALA  56           HB2      ALA  56 -21.330 -17.579 -19.719
  417    HB3  ALA  56           HB3      ALA  56 -21.204 -16.177 -18.660
  418    H    GLY  57           HN       GLY  57 -24.578 -18.706 -18.832
  419    HA2  GLY  57           HA2      GLY  57 -24.111 -20.029 -16.730
  420    HA3  GLY  57           HA1      GLY  57 -24.161 -18.503 -15.893
  421    H    TYR  58           HN       TYR  58 -25.890 -21.155 -16.241
  422    HA   TYR  58           HA       TYR  58 -28.189 -21.629 -16.541
  423    HB2  TYR  58           HB2      TYR  58 -27.331 -20.588 -13.996
  424    HB3  TYR  58           HB1      TYR  58 -29.010 -20.124 -14.243
  425    HD1  TYR  58           HD2      TYR  58 -30.730 -21.865 -14.719
  426    HD2  TYR  58           HD1      TYR  58 -26.722 -22.862 -13.557
  427    HE1  TYR  58           HE2      TYR  58 -31.483 -24.143 -14.099
  428    HE2  TYR  58           HE1      TYR  58 -27.470 -25.147 -12.939
  429    HH   TYR  58           HH       TYR  58 -29.586 -26.270 -12.268
  430    H    MET  59           HN       MET  59 -29.048 -20.656 -18.361
  431    HA   MET  59           HA       MET  59 -29.909 -17.856 -18.220
  432    HB2  MET  59           HB2      MET  59 -30.288 -19.809 -20.495
  433    HB3  MET  59           HB1      MET  59 -30.293 -18.046 -20.564
  434    HG2  MET  59           HG2      MET  59 -27.914 -18.022 -19.879
  435    HG3  MET  59           HG1      MET  59 -27.910 -19.782 -19.857
  436    HE1  MET  59           HE1      MET  59 -25.820 -18.313 -21.306
  437    HE2  MET  59           HE2      MET  59 -25.755 -18.969 -22.938
  438    HE3  MET  59           HE3      MET  59 -25.947 -20.058 -21.567
  439    H    TYR  60           HN       TYR  60 -31.566 -18.108 -16.623
  440    HA   TYR  60           HA       TYR  60 -33.852 -19.821 -17.277
  441    HB2  TYR  60           HB2      TYR  60 -32.923 -19.548 -14.913
  442    HB3  TYR  60           HB1      TYR  60 -33.601 -17.929 -14.936
  443    HD1  TYR  60           HD2      TYR  60 -36.093 -17.640 -15.367
  444    HD2  TYR  60           HD1      TYR  60 -34.297 -21.449 -14.525
  445    HE1  TYR  60           HE2      TYR  60 -38.322 -18.567 -14.790
  446    HE2  TYR  60           HE1      TYR  60 -36.526 -22.373 -13.952
  447    HH   TYR  60           HH       TYR  60 -38.892 -21.898 -14.440
  448    H    ILE  61           HN       ILE  61 -35.841 -19.075 -17.853
  449    HA   ILE  61           HA       ILE  61 -35.987 -16.252 -18.720
  450    HB   ILE  61           HB       ILE  61 -37.597 -18.684 -19.520
  451   HG12  ILE  61          HG12      ILE  61 -36.548 -18.179 -21.748
  452   HG13  ILE  61          HG11      ILE  61 -35.535 -16.977 -20.950
  453   HG21  ILE  61          HG21      ILE  61 -38.478 -17.027 -21.272
  454   HG22  ILE  61          HG22      ILE  61 -37.848 -15.760 -20.220
  455   HG23  ILE  61          HG23      ILE  61 -39.099 -16.853 -19.631
  456   HD11  ILE  61          HD11      ILE  61 -34.717 -19.507 -21.313
  457   HD12  ILE  61          HD12      ILE  61 -35.554 -19.737 -19.780
  458   HD13  ILE  61          HD13      ILE  61 -34.240 -18.569 -19.901
  459    H    LEU  62           HN       LEU  62 -36.586 -15.286 -16.750
  460    HA   LEU  62           HA       LEU  62 -38.707 -16.299 -15.142
  461    HB2  LEU  62           HB2      LEU  62 -36.736 -14.209 -15.005
  462    HB3  LEU  62           HB1      LEU  62 -38.303 -13.513 -14.612
  463    HG   LEU  62           HG       LEU  62 -37.260 -16.070 -13.324
  464   HD11  LEU  62          HD11      LEU  62 -36.957 -13.170 -12.507
  465   HD12  LEU  62          HD12      LEU  62 -35.692 -14.386 -12.689
  466   HD13  LEU  62          HD13      LEU  62 -36.837 -14.495 -11.351
  467   HD21  LEU  62          HD21      LEU  62 -39.561 -15.998 -12.948
  468   HD22  LEU  62          HD22      LEU  62 -39.616 -14.237 -12.900
  469   HD23  LEU  62          HD23      LEU  62 -38.954 -15.138 -11.536
  470    HA   PRO  63           HA       PRO  63 -41.689 -14.362 -17.972
  471    HB2  PRO  63           HB2      PRO  63 -43.887 -15.789 -17.332
  472    HB3  PRO  63           HB1      PRO  63 -42.558 -16.487 -18.279
  473    HG2  PRO  63           HG2      PRO  63 -43.246 -16.867 -15.408
  474    HG3  PRO  63           HG1      PRO  63 -42.578 -18.024 -16.571
  475    HD2  PRO  63           HD2      PRO  63 -41.089 -16.586 -14.645
  476    HD3  PRO  63           HD1      PRO  63 -40.426 -17.449 -16.046
  477    H    GLN  64           HN       GLN  64 -43.716 -13.127 -17.786
  478    HA   GLN  64           HA       GLN  64 -43.763 -11.253 -15.735
  479    HB2  GLN  64           HB2      GLN  64 -45.036 -11.353 -18.040
  480    HB3  GLN  64           HB1      GLN  64 -46.327 -12.091 -17.096
  481    HG2  GLN  64           HG2      GLN  64 -45.102  -9.359 -16.720
  482    HG3  GLN  64           HG1      GLN  64 -46.764  -9.739 -17.130
  483   HE21  GLN  64          HE21      GLN  64 -44.706  -9.013 -14.511
  484   HE22  GLN  64          HE22      GLN  64 -45.740  -9.520 -13.264
  485    H    GLY  65           HN       GLY  65 -43.982 -11.689 -13.614
  486    HA2  GLY  65           HA2      GLY  65 -46.327 -12.653 -12.465
  487    HA3  GLY  65           HA1      GLY  65 -45.217 -14.011 -12.565
  488    H    GLU  66           HN       GLU  66 -45.973 -13.296 -10.095
  489    HA   GLU  66           HA       GLU  66 -43.930 -11.513  -8.990
  490    HB2  GLU  66           HB2      GLU  66 -46.355 -12.822  -7.755
  491    HB3  GLU  66           HB1      GLU  66 -45.207 -11.817  -6.869
  492    HG2  GLU  66           HG2      GLU  66 -45.660  -9.933  -8.372
  493    HG3  GLU  66           HG1      GLU  66 -46.771 -10.933  -9.308
  494    H    TYR  67           HN       TYR  67 -42.623 -12.176  -7.235
  495    HA   TYR  67           HA       TYR  67 -42.380 -15.014  -6.673
  496    HB2  TYR  67           HB2      TYR  67 -40.006 -13.519  -7.770
  497    HB3  TYR  67           HB1      TYR  67 -40.083 -15.201  -7.315
  498    HD1  TYR  67           HD2      TYR  67 -41.454 -16.827  -8.622
  499    HD2  TYR  67           HD1      TYR  67 -40.944 -12.776  -9.945
  500    HE1  TYR  67           HE2      TYR  67 -42.251 -17.449 -10.871
  501    HE2  TYR  67           HE1      TYR  67 -41.771 -13.396 -12.173
  502    HH   TYR  67           HH       TYR  67 -43.341 -16.286 -12.819
  503    HA   PRO  68           HA       PRO  68 -41.972 -12.268  -2.984
  504    HB2  PRO  68           HB2      PRO  68 -42.723 -14.860  -1.705
  505    HB3  PRO  68           HB1      PRO  68 -43.366 -13.232  -1.418
  506    HG2  PRO  68           HG2      PRO  68 -44.753 -15.056  -2.786
  507    HG3  PRO  68           HG1      PRO  68 -44.800 -13.337  -3.221
  508    HD2  PRO  68           HD2      PRO  68 -43.354 -15.585  -4.582
  509    HD3  PRO  68           HD1      PRO  68 -44.112 -14.140  -5.289
  510    H    GLU  69           HN       GLU  69 -40.386 -15.151  -4.008
  511    HA   GLU  69           HA       GLU  69 -38.070 -14.465  -2.405
  512    HB2  GLU  69           HB2      GLU  69 -39.479 -17.138  -2.122
  513    HB3  GLU  69           HB1      GLU  69 -37.867 -16.783  -1.502
  514    HG2  GLU  69           HG2      GLU  69 -38.898 -14.880  -0.198
  515    HG3  GLU  69           HG1      GLU  69 -40.475 -15.485  -0.671
  516    H    TYR  70           HN       TYR  70 -36.185 -15.832  -3.073
  517    HA   TYR  70           HA       TYR  70 -36.078 -16.054  -5.893
  518    HB2  TYR  70           HB2      TYR  70 -33.860 -17.235  -5.392
  519    HB3  TYR  70           HB1      TYR  70 -34.035 -15.577  -4.814
  520    HD1  TYR  70           HD2      TYR  70 -34.679 -15.169  -2.404
  521    HD2  TYR  70           HD1      TYR  70 -33.533 -19.039  -3.874
  522    HE1  TYR  70           HE2      TYR  70 -34.279 -15.932  -0.082
  523    HE2  TYR  70           HE1      TYR  70 -33.129 -19.803  -1.554
  524    HH   TYR  70           HH       TYR  70 -32.879 -19.099   0.603
  525    H    GLN  71           HN       GLN  71 -36.074 -18.593  -3.350
  526    HA   GLN  71           HA       GLN  71 -35.948 -20.894  -4.730
  527    HB2  GLN  71           HB2      GLN  71 -38.033 -20.431  -2.618
  528    HB3  GLN  71           HB1      GLN  71 -37.239 -21.955  -3.030
  529    HG2  GLN  71           HG2      GLN  71 -35.042 -20.870  -2.420
  530    HG3  GLN  71           HG1      GLN  71 -35.966 -19.499  -1.802
  531   HE21  GLN  71          HE21      GLN  71 -37.888 -20.332  -0.263
  532   HE22  GLN  71          HE22      GLN  71 -37.408 -21.487   0.893
  533    H    ARG  72           HN       ARG  72 -38.316 -18.573  -5.198
  534    HA   ARG  72           HA       ARG  72 -40.412 -20.265  -6.142
  535    HB2  ARG  72           HB2      ARG  72 -40.349 -17.791  -5.210
  536    HB3  ARG  72           HB1      ARG  72 -40.123 -17.395  -6.898
  537    HG2  ARG  72           HG2      ARG  72 -42.480 -17.334  -6.564
  538    HG3  ARG  72           HG1      ARG  72 -42.166 -18.860  -7.385
  539    HD2  ARG  72           HD2      ARG  72 -41.949 -19.264  -4.513
  540    HD3  ARG  72           HD1      ARG  72 -43.492 -18.507  -4.896
  541    HE   ARG  72           HE       ARG  72 -42.913 -20.680  -6.660
  542   HH11  ARG  72          HH21      ARG  72 -43.964 -19.791  -3.498
  543   HH12  ARG  72          HH22      ARG  72 -44.907 -21.223  -3.251
  544   HH21  ARG  72          HH11      ARG  72 -44.147 -22.572  -6.357
  545   HH22  ARG  72          HH12      ARG  72 -45.009 -22.800  -4.873
  546    H    TRP  73           HN       TRP  73 -37.419 -19.509  -7.448
  547    HA   TRP  73           HA       TRP  73 -38.396 -19.800 -10.251
  548    HB2  TRP  73           HB2      TRP  73 -36.357 -18.666 -10.955
  549    HB3  TRP  73           HB1      TRP  73 -37.302 -17.647  -9.876
  550    HD1  TRP  73           HD1      TRP  73 -35.533 -20.230  -7.880
  551    HE1  TRP  73           HE1      TRP  73 -33.475 -19.307  -6.779
  552    HE3  TRP  73           HE3      TRP  73 -35.151 -15.814 -10.395
  553    HZ2  TRP  73           HZ2      TRP  73 -31.863 -17.032  -6.926
  554    HZ3  TRP  73           HZ3      TRP  73 -33.307 -14.257  -9.853
  555    HH2  TRP  73           HH2      TRP  73 -31.653 -14.845  -8.107
  556    H    MET  74           HN       MET  74 -37.727 -21.866  -8.185
  557    HA   MET  74           HA       MET  74 -36.991 -24.030  -8.375
  558    HB2  MET  74           HB2      MET  74 -35.131 -23.143 -10.600
  559    HB3  MET  74           HB1      MET  74 -35.407 -24.789 -10.058
  560    HG2  MET  74           HG2      MET  74 -37.662 -23.039 -11.052
  561    HG3  MET  74           HG1      MET  74 -36.717 -24.075 -12.122
  562    HE1  MET  74           HE1      MET  74 -40.032 -24.091 -11.140
  563    HE2  MET  74           HE2      MET  74 -40.208 -25.780 -11.615
  564    HE3  MET  74           HE3      MET  74 -39.235 -24.692 -12.601
  565    H    GLY  75           HN       GLY  75 -35.892 -21.748  -6.817
  566    HA2  GLY  75           HA2      GLY  75 -33.994 -21.171  -5.570
  567    HA3  GLY  75           HA1      GLY  75 -34.213 -22.850  -5.095
  568    H    LEU  76           HN       LEU  76 -32.921 -21.159  -7.959
  569    HA   LEU  76           HA       LEU  76 -30.688 -23.029  -8.085
  570    HB2  LEU  76           HB2      LEU  76 -31.247 -20.607  -9.810
  571    HB3  LEU  76           HB1      LEU  76 -30.206 -21.980 -10.195
  572    HG   LEU  76           HG       LEU  76 -33.195 -22.189  -9.733
  573   HD11  LEU  76          HD11      LEU  76 -31.623 -22.201 -12.322
  574   HD12  LEU  76          HD12      LEU  76 -32.670 -20.897 -11.771
  575   HD13  LEU  76          HD13      LEU  76 -33.359 -22.470 -12.170
  576   HD21  LEU  76          HD21      LEU  76 -31.030 -24.131 -10.567
  577   HD22  LEU  76          HD22      LEU  76 -32.723 -24.425 -10.952
  578   HD23  LEU  76          HD23      LEU  76 -32.213 -24.305  -9.274
  579    H    ASN  77           HN       ASN  77 -31.267 -20.647  -6.083
  580    HA   ASN  77           HA       ASN  77 -29.796 -19.563  -4.656
  581    HB2  ASN  77           HB2      ASN  77 -27.980 -21.079  -5.805
  582    HB3  ASN  77           HB1      ASN  77 -27.591 -19.615  -6.707
  583   HD21  ASN  77          HD21      ASN  77 -25.611 -19.074  -5.708
  584   HD22  ASN  77          HD22      ASN  77 -25.472 -18.714  -4.050
  585    H    ASP  78           HN       ASP  78 -29.592 -17.343  -4.390
  586    HA   ASP  78           HA       ASP  78 -30.845 -15.528  -5.934
  587    HB2  ASP  78           HB2      ASP  78 -29.382 -13.818  -4.910
  588    HB3  ASP  78           HB1      ASP  78 -30.000 -15.005  -3.768
  589    H    ARG  79           HN       ARG  79 -27.459 -14.819  -6.035
  590    HA   ARG  79           HA       ARG  79 -26.316 -13.870  -7.852
  591    HB2  ARG  79           HB2      ARG  79 -25.736 -16.371  -7.384
  592    HB3  ARG  79           HB1      ARG  79 -26.555 -16.676  -8.910
  593    HG2  ARG  79           HG2      ARG  79 -24.498 -16.257  -9.847
  594    HG3  ARG  79           HG1      ARG  79 -24.922 -14.562  -9.621
  595    HD2  ARG  79           HD2      ARG  79 -23.276 -16.308  -7.766
  596    HD3  ARG  79           HD1      ARG  79 -22.723 -14.911  -8.683
  597    HE   ARG  79           HE       ARG  79 -24.798 -14.039  -7.029
  598   HH11  ARG  79          HH21      ARG  79 -21.638 -15.419  -6.779
  599   HH12  ARG  79          HH22      ARG  79 -21.283 -14.667  -5.261
  600   HH21  ARG  79          HH11      ARG  79 -24.342 -13.053  -5.040
  601   HH22  ARG  79          HH12      ARG  79 -22.814 -13.327  -4.275
  602    H    LEU  80           HN       LEU  80 -27.609 -12.470  -8.973
  603    HA   LEU  80           HA       LEU  80 -28.648 -13.513 -11.514
  604    HB2  LEU  80           HB2      LEU  80 -30.432 -13.150  -9.548
  605    HB3  LEU  80           HB1      LEU  80 -30.295 -11.472 -10.064
  606    HG   LEU  80           HG       LEU  80 -32.118 -12.506 -11.274
  607   HD11  LEU  80          HD11      LEU  80 -29.884 -12.419 -13.289
  608   HD12  LEU  80          HD12      LEU  80 -30.354 -10.960 -12.413
  609   HD13  LEU  80          HD13      LEU  80 -31.528 -11.793 -13.417
  610   HD21  LEU  80          HD21      LEU  80 -30.729 -14.869 -11.078
  611   HD22  LEU  80          HD22      LEU  80 -30.410 -14.449 -12.760
  612   HD23  LEU  80          HD23      LEU  80 -32.071 -14.607 -12.190
  613    H    SER  81           HN       SER  81 -27.946 -12.323 -13.118
  614    HA   SER  81           HA       SER  81 -26.764  -9.676 -12.548
  615    HB2  SER  81           HB2      SER  81 -25.172 -10.165 -14.155
  616    HB3  SER  81           HB1      SER  81 -25.465 -11.759 -13.473
  617    HG   SER  81           HG       SER  81 -26.982 -12.095 -15.169
  618    H    SER  82           HN       SER  82 -26.561  -8.805 -15.202
  619    HA   SER  82           HA       SER  82 -28.870  -7.419 -15.620
  620    HB2  SER  82           HB2      SER  82 -28.157  -7.353 -18.050
  621    HB3  SER  82           HB1      SER  82 -26.954  -6.823 -16.880
  622    HG   SER  82           HG       SER  82 -26.476  -8.525 -18.648
  623    H    CYS  83           HN       CYS  83 -30.121  -7.704 -17.858
  624    HA   CYS  83           HA       CYS  83 -31.005 -10.463 -18.247
  625    HB2  CYS  83           HB2      CYS  83 -33.314  -9.953 -17.718
  626    HB3  CYS  83           HB1      CYS  83 -32.313  -9.517 -16.325
  627    HG   CYS  83           HG       CYS  83 -33.236  -7.357 -18.395
  628    H    ARG  84           HN       ARG  84 -32.225 -10.715 -20.221
  629    HA   ARG  84           HA       ARG  84 -32.105  -8.361 -22.033
  630    HB2  ARG  84           HB2      ARG  84 -31.971 -11.306 -22.732
  631    HB3  ARG  84           HB1      ARG  84 -31.869  -9.957 -23.864
  632    HG2  ARG  84           HG2      ARG  84 -29.846  -9.141 -22.702
  633    HG3  ARG  84           HG1      ARG  84 -29.939 -10.510 -21.595
  634    HD2  ARG  84           HD2      ARG  84 -28.352 -11.078 -23.319
  635    HD3  ARG  84           HD1      ARG  84 -29.807 -12.036 -23.594
  636    HE   ARG  84           HE       ARG  84 -29.973  -9.606 -25.049
  637   HH11  ARG  84          HH21      ARG  84 -28.318 -12.644 -24.945
  638   HH12  ARG  84          HH22      ARG  84 -28.026 -12.701 -26.652
  639   HH21  ARG  84          HH11      ARG  84 -29.593  -9.673 -27.287
  640   HH22  ARG  84          HH12      ARG  84 -28.748 -11.018 -27.977
  641    H    ALA  85           HN       ALA  85 -33.997  -7.627 -22.751
  642    HA   ALA  85           HA       ALA  85 -36.470  -8.687 -21.905
  643    HB1  ALA  85           HB1      ALA  85 -36.195  -6.330 -22.551
  644    HB2  ALA  85           HB2      ALA  85 -37.474  -7.090 -23.496
  645    HB3  ALA  85           HB3      ALA  85 -35.889  -6.817 -24.219
  646    H    VAL  86           HN       VAL  86 -37.534 -10.429 -22.595
  647    HA   VAL  86           HA       VAL  86 -37.087 -11.353 -25.396
  648    HB   VAL  86           HB       VAL  86 -37.336 -12.933 -22.824
  649   HG11  VAL  86          HG11      VAL  86 -38.735 -14.119 -24.348
  650   HG12  VAL  86          HG12      VAL  86 -37.173 -14.935 -24.423
  651   HG13  VAL  86          HG13      VAL  86 -37.643 -13.812 -25.697
  652   HG21  VAL  86          HG21      VAL  86 -35.219 -12.592 -24.965
  653   HG22  VAL  86          HG22      VAL  86 -35.224 -13.992 -23.899
  654   HG23  VAL  86          HG23      VAL  86 -35.063 -12.370 -23.224
  655    H    HIS  87           HN       HIS  87 -38.824 -11.595 -26.606
  656    HA   HIS  87           HA       HIS  87 -41.492 -11.339 -25.351
  657    HB2  HIS  87           HB2      HIS  87 -40.747 -11.070 -28.272
  658    HB3  HIS  87           HB1      HIS  87 -42.278 -10.632 -27.515
  659    HD2  HIS  87           HD2      HIS  87 -41.749  -8.555 -25.324
  660    HE1  HIS  87           HE1      HIS  87 -38.619  -6.876 -27.609
  661    HE2  HIS  87           HE2      HIS  87 -40.174  -6.495 -25.637
  662    H    LEU  88           HN       LEU  88 -43.234 -12.639 -26.313
  663    HA   LEU  88           HA       LEU  88 -42.425 -15.406 -26.516
  664    HB2  LEU  88           HB2      LEU  88 -45.228 -15.238 -26.953
  665    HB3  LEU  88           HB1      LEU  88 -44.415 -15.640 -25.441
  666    HG   LEU  88           HG       LEU  88 -44.949 -12.791 -26.336
  667   HD11  LEU  88          HD11      LEU  88 -46.584 -14.658 -24.615
  668   HD12  LEU  88          HD12      LEU  88 -47.092 -13.813 -26.078
  669   HD13  LEU  88          HD13      LEU  88 -46.785 -12.905 -24.596
  670   HD21  LEU  88          HD21      LEU  88 -44.722 -13.326 -23.459
  671   HD22  LEU  88          HD22      LEU  88 -43.847 -12.169 -24.449
  672   HD23  LEU  88          HD23      LEU  88 -43.268 -13.825 -24.314
  673    HA   PRO  89           HA       PRO  89 -42.636 -15.746 -30.925
  674    HB2  PRO  89           HB2      PRO  89 -43.428 -18.328 -31.280
  675    HB3  PRO  89           HB1      PRO  89 -41.828 -17.906 -30.639
  676    HG2  PRO  89           HG2      PRO  89 -44.290 -18.763 -29.170
  677    HG3  PRO  89           HG1      PRO  89 -42.605 -19.261 -28.930
  678    HD2  PRO  89           HD2      PRO  89 -43.811 -17.373 -27.349
  679    HD3  PRO  89           HD1      PRO  89 -42.068 -17.371 -27.696
  680    H    SER  90           HN       SER  90 -44.046 -15.801 -32.717
  681    HA   SER  90           HA       SER  90 -46.835 -16.401 -32.429
  682    HB2  SER  90           HB2      SER  90 -47.757 -14.227 -32.596
  683    HB3  SER  90           HB1      SER  90 -46.532 -14.105 -31.337
  684    HG   SER  90           HG       SER  90 -46.691 -12.615 -33.417
  685    H    GLY  91           HN       GLY  91 -44.084 -15.438 -34.236
  686    HA2  GLY  91           HA2      GLY  91 -45.505 -15.292 -36.783
  687    HA3  GLY  91           HA1      GLY  91 -43.787 -15.025 -36.521
  688    H    GLY  92           HN       GLY  92 -45.907 -17.776 -35.746
  689    HA2  GLY  92           HA2      GLY  92 -45.438 -19.570 -37.686
  690    HA3  GLY  92           HA1      GLY  92 -43.923 -19.638 -36.785
  691    H    GLN  93           HN       GLN  93 -47.172 -19.099 -35.541
  692    HA   GLN  93           HA       GLN  93 -48.138 -20.067 -33.646
  693    HB2  GLN  93           HB2      GLN  93 -48.706 -22.551 -34.238
  694    HB3  GLN  93           HB1      GLN  93 -49.356 -21.259 -35.247
  695    HG2  GLN  93           HG2      GLN  93 -47.577 -21.583 -36.882
  696    HG3  GLN  93           HG1      GLN  93 -46.809 -22.787 -35.859
  697   HE21  GLN  93          HE21      GLN  93 -48.133 -24.813 -35.417
  698   HE22  GLN  93          HE22      GLN  93 -49.211 -25.334 -36.628
  699    H    TYR  94           HN       TYR  94 -46.952 -23.222 -34.150
  700    HA   TYR  94           HA       TYR  94 -44.638 -22.992 -32.429
  701    HB2  TYR  94           HB2      TYR  94 -46.671 -22.934 -30.898
  702    HB3  TYR  94           HB1      TYR  94 -46.957 -24.599 -31.393
  703    HD1  TYR  94           HD1      TYR  94 -44.337 -22.344 -29.990
  704    HD2  TYR  94           HD2      TYR  94 -45.782 -26.361 -30.360
  705    HE1  TYR  94           HE1      TYR  94 -42.625 -23.112 -28.371
  706    HE2  TYR  94           HE2      TYR  94 -44.079 -27.135 -28.741
  707    HH   TYR  94           HH       TYR  94 -42.692 -25.627 -26.682
  708    H    LYS  95           HN       LYS  95 -43.253 -24.281 -33.511
  709    HA   LYS  95           HA       LYS  95 -43.993 -27.056 -33.985
  710    HB2  LYS  95           HB2      LYS  95 -44.795 -25.810 -36.000
  711    HB3  LYS  95           HB1      LYS  95 -43.134 -25.307 -36.294
  712    HG2  LYS  95           HG2      LYS  95 -43.612 -27.260 -37.659
  713    HG3  LYS  95           HG1      LYS  95 -42.465 -27.713 -36.400
  714    HD2  LYS  95           HD2      LYS  95 -44.004 -29.003 -35.242
  715    HD3  LYS  95           HD1      LYS  95 -45.389 -28.060 -35.803
  716    HE2  LYS  95           HE2      LYS  95 -45.264 -29.061 -37.999
  717    HE3  LYS  95           HE1      LYS  95 -43.747 -29.861 -37.604
  718    HZ1  LYS  95           HZ1      LYS  95 -45.079 -30.949 -35.733
  719    HZ2  LYS  95           HZ2      LYS  95 -45.362 -31.497 -37.315
  720    HZ3  LYS  95           HZ3      LYS  95 -46.460 -30.433 -36.571
  721    H    ILE  96           HN       ILE  96 -42.339 -28.384 -33.754
  722    HA   ILE  96           HA       ILE  96 -39.580 -27.358 -33.989
  723    HB   ILE  96           HB       ILE  96 -39.856 -27.261 -31.667
  724   HG12  ILE  96          HG12      ILE  96 -38.965 -30.133 -31.951
  725   HG13  ILE  96          HG11      ILE  96 -37.957 -28.801 -32.504
  726   HG21  ILE  96          HG21      ILE  96 -42.093 -28.353 -31.615
  727   HG22  ILE  96          HG22      ILE  96 -41.036 -28.961 -30.343
  728   HG23  ILE  96          HG23      ILE  96 -41.306 -29.918 -31.798
  729   HD11  ILE  96          HD11      ILE  96 -37.299 -29.369 -30.240
  730   HD12  ILE  96          HD12      ILE  96 -38.971 -29.271 -29.691
  731   HD13  ILE  96          HD13      ILE  96 -38.122 -27.810 -30.198
  732    H    GLN  97           HN       GLN  97 -38.082 -28.771 -34.617
  733    HA   GLN  97           HA       GLN  97 -38.914 -31.531 -35.285
  734    HB2  GLN  97           HB2      GLN  97 -37.528 -29.454 -36.947
  735    HB3  GLN  97           HB1      GLN  97 -37.036 -31.136 -37.140
  736    HG2  GLN  97           HG2      GLN  97 -39.369 -31.780 -37.579
  737    HG3  GLN  97           HG1      GLN  97 -39.877 -30.105 -37.379
  738   HE21  GLN  97          HE21      GLN  97 -36.782 -30.594 -38.886
  739   HE22  GLN  97          HE22      GLN  97 -37.280 -30.275 -40.481
  740    H    ILE  98           HN       ILE  98 -37.623 -33.054 -34.460
  741    HA   ILE  98           HA       ILE  98 -35.054 -32.202 -33.220
  742    HB   ILE  98           HB       ILE  98 -36.783 -34.526 -32.336
  743   HG12  ILE  98          HG12      ILE  98 -36.872 -31.661 -31.345
  744   HG13  ILE  98          HG11      ILE  98 -38.158 -32.484 -32.230
  745   HG21  ILE  98          HG21      ILE  98 -35.535 -34.314 -30.281
  746   HG22  ILE  98          HG22      ILE  98 -34.796 -32.814 -30.837
  747   HG23  ILE  98          HG23      ILE  98 -34.381 -34.342 -31.616
  748   HD11  ILE  98          HD11      ILE  98 -37.355 -32.759 -29.388
  749   HD12  ILE  98          HD12      ILE  98 -37.789 -34.265 -30.200
  750   HD13  ILE  98          HD13      ILE  98 -38.942 -32.931 -30.132
  751    H    PHE  99           HN       PHE  99 -33.264 -33.296 -33.858
  752    HA   PHE  99           HA       PHE  99 -33.658 -35.736 -35.528
  753    HB2  PHE  99           HB2      PHE  99 -31.651 -33.487 -35.694
  754    HB3  PHE  99           HB1      PHE  99 -31.320 -35.062 -36.414
  755    HD1  PHE  99           HD1      PHE  99 -33.768 -32.244 -36.389
  756    HD2  PHE  99           HD2      PHE  99 -32.301 -35.697 -38.481
  757    HE1  PHE  99           HE1      PHE  99 -35.139 -31.638 -38.361
  758    HE2  PHE  99           HE2      PHE  99 -33.677 -35.089 -40.452
  759    HZ   PHE  99           HZ       PHE  99 -35.097 -33.057 -40.392
  760    H    GLU 100           HN       GLU 100 -32.776 -37.563 -34.885
  761    HA   GLU 100           HA       GLU 100 -31.647 -37.882 -32.336
  762    HB2  GLU 100           HB2      GLU 100 -32.832 -39.677 -33.560
  763    HB3  GLU 100           HB1      GLU 100 -31.487 -39.760 -34.703
  764    HG2  GLU 100           HG2      GLU 100 -29.952 -40.374 -32.900
  765    HG3  GLU 100           HG1      GLU 100 -31.242 -40.196 -31.709
  766    H    LYS 101           HN       LYS 101 -30.220 -37.278 -35.448
  767    HA   LYS 101           HA       LYS 101 -27.510 -37.455 -34.240
  768    HB2  LYS 101           HB2      LYS 101 -28.320 -37.790 -37.127
  769    HB3  LYS 101           HB1      LYS 101 -26.694 -37.958 -36.473
  770    HG2  LYS 101           HG2      LYS 101 -27.375 -39.842 -35.130
  771    HG3  LYS 101           HG1      LYS 101 -29.060 -39.627 -35.597
  772    HD2  LYS 101           HD2      LYS 101 -28.400 -40.010 -37.974
  773    HD3  LYS 101           HD1      LYS 101 -26.762 -40.376 -37.425
  774    HE2  LYS 101           HE2      LYS 101 -29.212 -41.828 -36.404
  775    HE3  LYS 101           HE1      LYS 101 -28.254 -42.403 -37.770
  776    HZ1  LYS 101           HZ1      LYS 101 -26.385 -42.693 -36.419
  777    HZ2  LYS 101           HZ2      LYS 101 -27.672 -43.311 -35.498
  778    HZ3  LYS 101           HZ3      LYS 101 -27.036 -41.776 -35.149
  779    H    GLY 102           HN       GLY 102 -26.067 -35.780 -34.671
  780    HA2  GLY 102           HA2      GLY 102 -27.185 -33.212 -34.972
  781    HA3  GLY 102           HA1      GLY 102 -25.470 -33.579 -35.019
  782    H    ASP 103           HN       ASP 103 -26.254 -31.629 -36.638
  783    HA   ASP 103           HA       ASP 103 -26.211 -30.901 -38.804
  784    HB2  ASP 103           HB2      ASP 103 -24.215 -32.501 -38.791
  785    HB3  ASP 103           HB1      ASP 103 -25.283 -33.672 -39.562
  786    H    PHE 104           HN       PHE 104 -28.613 -32.157 -37.732
  787    HA   PHE 104           HA       PHE 104 -30.680 -32.880 -38.407
  788    HB2  PHE 104           HB2      PHE 104 -29.921 -32.059 -41.203
  789    HB3  PHE 104           HB1      PHE 104 -31.497 -31.991 -40.416
  790    HD1  PHE 104           HD2      PHE 104 -31.241 -30.677 -37.964
  791    HD2  PHE 104           HD1      PHE 104 -28.996 -29.942 -41.554
  792    HE1  PHE 104           HE2      PHE 104 -30.767 -28.375 -37.197
  793    HE2  PHE 104           HE1      PHE 104 -28.526 -27.635 -40.782
  794    HZ   PHE 104           HZ       PHE 104 -29.411 -26.855 -38.603
  795    H    SER 105           HN       SER 105 -30.046 -35.103 -38.022
  796    HA   SER 105           HA       SER 105 -30.452 -36.719 -40.378
  797    HB2  SER 105           HB2      SER 105 -27.778 -36.593 -39.017
  798    HB3  SER 105           HB1      SER 105 -28.316 -38.102 -39.743
  799    HG   SER 105           HG       SER 105 -27.694 -37.246 -41.551
  800    H    GLY 106           HN       GLY 106 -30.639 -39.018 -39.820
  801    HA2  GLY 106           HA2      GLY 106 -31.127 -40.801 -38.380
  802    HA3  GLY 106           HA1      GLY 106 -30.970 -39.706 -37.013
  803    H    GLN 107           HN       GLN 107 -32.893 -40.460 -36.092
  804    HA   GLN 107           HA       GLN 107 -35.388 -40.395 -37.502
  805    HB2  GLN 107           HB2      GLN 107 -35.092 -41.937 -35.645
  806    HB3  GLN 107           HB1      GLN 107 -34.768 -40.600 -34.545
  807    HG2  GLN 107           HG2      GLN 107 -37.095 -41.399 -34.327
  808    HG3  GLN 107           HG1      GLN 107 -37.052 -39.739 -34.908
  809   HE21  GLN 107          HE21      GLN 107 -38.958 -39.743 -36.158
  810   HE22  GLN 107          HE22      GLN 107 -39.199 -40.752 -37.502
  811    H    MET 108           HN       MET 108 -36.893 -38.803 -37.627
  812    HA   MET 108           HA       MET 108 -36.360 -36.309 -36.177
  813    HB2  MET 108           HB2      MET 108 -35.847 -35.964 -38.511
  814    HB3  MET 108           HB1      MET 108 -37.419 -36.623 -38.970
  815    HG2  MET 108           HG2      MET 108 -37.372 -34.344 -37.017
  816    HG3  MET 108           HG1      MET 108 -37.064 -33.991 -38.713
  817    HE1  MET 108           HE1      MET 108 -38.404 -34.877 -40.593
  818    HE2  MET 108           HE2      MET 108 -39.067 -33.289 -40.219
  819    HE3  MET 108           HE3      MET 108 -40.155 -34.621 -40.601
  820    H    TYR 109           HN       TYR 109 -37.962 -35.472 -34.985
  821    HA   TYR 109           HA       TYR 109 -40.676 -36.591 -35.360
  822    HB2  TYR 109           HB2      TYR 109 -39.178 -35.891 -32.837
  823    HB3  TYR 109           HB1      TYR 109 -40.923 -36.126 -32.895
  824    HD1  TYR 109           HD2      TYR 109 -41.748 -38.339 -34.058
  825    HD2  TYR 109           HD1      TYR 109 -37.798 -37.755 -32.478
  826    HE1  TYR 109           HE2      TYR 109 -41.441 -40.794 -33.923
  827    HE2  TYR 109           HE1      TYR 109 -37.489 -40.211 -32.343
  828    HH   TYR 109           HH       TYR 109 -39.331 -42.284 -32.126
  829    H    GLU 110           HN       GLU 110 -42.289 -35.206 -35.523
  830    HA   GLU 110           HA       GLU 110 -41.754 -32.319 -35.087
  831    HB2  GLU 110           HB2      GLU 110 -43.507 -32.042 -36.951
  832    HB3  GLU 110           HB1      GLU 110 -41.887 -32.537 -37.425
  833    HG2  GLU 110           HG2      GLU 110 -42.598 -34.871 -37.527
  834    HG3  GLU 110           HG1      GLU 110 -44.209 -34.430 -36.960
  835    H    THR 111           HN       THR 111 -43.020 -31.433 -33.573
  836    HA   THR 111           HA       THR 111 -45.815 -32.249 -33.315
  837    HB   THR 111           HB       THR 111 -44.355 -33.763 -31.841
  838    HG1  THR 111           HG1      THR 111 -46.446 -33.743 -31.337
  839   HG21  THR 111          HG21      THR 111 -42.930 -31.758 -31.088
  840   HG22  THR 111          HG22      THR 111 -43.452 -32.871 -29.825
  841   HG23  THR 111          HG23      THR 111 -44.286 -31.336 -30.044
  842    H    THR 112           HN       THR 112 -47.018 -30.478 -33.012
  843    HA   THR 112           HA       THR 112 -45.693 -27.969 -32.266
  844    HB   THR 112           HB       THR 112 -47.051 -27.761 -34.184
  845    HG1  THR 112           HG1      THR 112 -48.949 -26.555 -33.127
  846   HG21  THR 112          HG21      THR 112 -49.179 -29.171 -32.569
  847   HG22  THR 112          HG22      THR 112 -48.389 -29.751 -34.035
  848   HG23  THR 112          HG23      THR 112 -49.488 -28.374 -34.115
  849    H    GLU 113           HN       GLU 113 -45.870 -29.744 -30.159
  850    HA   GLU 113           HA       GLU 113 -47.600 -28.231 -28.312
  851    HB2  GLU 113           HB2      GLU 113 -48.120 -30.496 -27.178
  852    HB3  GLU 113           HB1      GLU 113 -49.014 -30.081 -28.647
  853    HG2  GLU 113           HG2      GLU 113 -47.466 -31.420 -29.993
  854    HG3  GLU 113           HG1      GLU 113 -46.519 -31.802 -28.556
  855    H    ASP 114           HN       ASP 114 -47.114 -29.226 -25.959
  856    HA   ASP 114           HA       ASP 114 -44.244 -28.888 -25.572
  857    HB2  ASP 114           HB2      ASP 114 -44.877 -29.047 -23.136
  858    HB3  ASP 114           HB1      ASP 114 -45.617 -27.707 -24.009
  859    H    CYS 115           HN       CYS 115 -43.035 -30.371 -24.262
  860    HA   CYS 115           HA       CYS 115 -44.048 -33.136 -24.255
  861    HB2  CYS 115           HB2      CYS 115 -41.455 -32.119 -25.390
  862    HB3  CYS 115           HB1      CYS 115 -41.718 -33.813 -24.978
  863    HG   CYS 115           HG       CYS 115 -43.327 -32.281 -27.179
  864    HA   PRO 116           HA       PRO 116 -42.177 -32.514 -20.157
  865    HB2  PRO 116           HB2      PRO 116 -43.063 -34.808 -18.963
  866    HB3  PRO 116           HB1      PRO 116 -44.125 -33.414 -19.252
  867    HG2  PRO 116           HG2      PRO 116 -43.874 -35.948 -20.806
  868    HG3  PRO 116           HG1      PRO 116 -45.330 -35.031 -20.380
  869    HD2  PRO 116           HD2      PRO 116 -44.100 -34.918 -22.848
  870    HD3  PRO 116           HD1      PRO 116 -45.100 -33.605 -22.196
  871    H    SER 117           HN       SER 117 -42.139 -35.836 -21.484
  872    HA   SER 117           HA       SER 117 -39.232 -36.047 -20.853
  873    HB2  SER 117           HB2      SER 117 -41.423 -38.129 -20.825
  874    HB3  SER 117           HB1      SER 117 -39.714 -38.553 -20.854
  875    HG   SER 117           HG       SER 117 -40.058 -36.695 -19.004
  876    H    ILE 118           HN       ILE 118 -38.153 -35.726 -22.762
  877    HA   ILE 118           HA       ILE 118 -39.298 -36.171 -25.308
  878    HB   ILE 118           HB       ILE 118 -37.254 -34.715 -24.450
  879   HG12  ILE 118          HG12      ILE 118 -37.293 -35.918 -27.232
  880   HG13  ILE 118          HG11      ILE 118 -38.327 -34.598 -26.696
  881   HG21  ILE 118          HG21      ILE 118 -35.095 -35.591 -24.998
  882   HG22  ILE 118          HG22      ILE 118 -35.805 -37.082 -25.604
  883   HG23  ILE 118          HG23      ILE 118 -35.884 -36.706 -23.886
  884   HD11  ILE 118          HD11      ILE 118 -35.352 -34.308 -26.381
  885   HD12  ILE 118          HD12      ILE 118 -36.593 -33.075 -26.622
  886   HD13  ILE 118          HD13      ILE 118 -36.084 -34.084 -27.967
  887    H    MET 119           HN       MET 119 -37.066 -38.069 -23.352
  888    HA   MET 119           HA       MET 119 -36.576 -40.062 -25.284
  889    HB2  MET 119           HB2      MET 119 -35.144 -39.688 -23.318
  890    HB3  MET 119           HB1      MET 119 -36.442 -40.271 -22.278
  891    HG2  MET 119           HG2      MET 119 -36.361 -42.458 -23.260
  892    HG3  MET 119           HG1      MET 119 -35.290 -41.902 -24.543
  893    HE1  MET 119           HE1      MET 119 -34.672 -44.459 -22.884
  894    HE2  MET 119           HE2      MET 119 -32.937 -44.238 -22.670
  895    HE3  MET 119           HE3      MET 119 -33.696 -43.775 -24.191
  896    H    GLU 120           HN       GLU 120 -39.323 -39.455 -23.286
  897    HA   GLU 120           HA       GLU 120 -40.253 -42.187 -23.263
  898    HB2  GLU 120           HB2      GLU 120 -40.779 -40.580 -21.457
  899    HB3  GLU 120           HB1      GLU 120 -41.713 -39.622 -22.607
  900    HG2  GLU 120           HG2      GLU 120 -43.266 -41.013 -21.438
  901    HG3  GLU 120           HG1      GLU 120 -43.115 -41.702 -23.041
  902    H    GLN 121           HN       GLN 121 -41.096 -39.222 -25.010
  903    HA   GLN 121           HA       GLN 121 -43.099 -40.649 -26.589
  904    HB2  GLN 121           HB2      GLN 121 -43.363 -38.281 -27.579
  905    HB3  GLN 121           HB1      GLN 121 -43.855 -38.538 -25.904
  906    HG2  GLN 121           HG2      GLN 121 -42.124 -37.315 -25.057
  907    HG3  GLN 121           HG1      GLN 121 -40.999 -37.773 -26.322
  908   HE21  GLN 121          HE21      GLN 121 -44.076 -36.574 -27.421
  909   HE22  GLN 121          HE22      GLN 121 -43.534 -35.017 -27.840
  910    H    PHE 122           HN       PHE 122 -39.876 -39.234 -26.981
  911    HA   PHE 122           HA       PHE 122 -39.922 -40.089 -29.812
  912    HB2  PHE 122           HB2      PHE 122 -38.311 -37.875 -28.550
  913    HB3  PHE 122           HB1      PHE 122 -38.235 -38.356 -30.239
  914    HD1  PHE 122           HD2      PHE 122 -41.014 -38.756 -31.075
  915    HD2  PHE 122           HD1      PHE 122 -39.384 -35.801 -28.396
  916    HE1  PHE 122           HE2      PHE 122 -42.938 -37.290 -31.518
  917    HE2  PHE 122           HE1      PHE 122 -41.318 -34.325 -28.883
  918    HZ   PHE 122           HZ       PHE 122 -43.091 -35.082 -30.425
  919    H    HIS 123           HN       HIS 123 -38.876 -41.209 -26.997
  920    HA   HIS 123           HA       HIS 123 -37.148 -42.617 -26.366
  921    HB2  HIS 123           HB2      HIS 123 -37.204 -43.170 -29.320
  922    HB3  HIS 123           HB1      HIS 123 -36.414 -44.183 -28.107
  923    HD2  HIS 123           HD2      HIS 123 -39.028 -45.486 -29.648
  924    HE1  HIS 123           HE1      HIS 123 -41.098 -44.648 -26.066
  925    HE2  HIS 123           HE2      HIS 123 -41.156 -45.993 -28.219
  926    H    MET 124           HN       MET 124 -36.539 -39.814 -27.611
  927    HA   MET 124           HA       MET 124 -33.834 -40.107 -28.543
  928    HB2  MET 124           HB2      MET 124 -35.523 -37.726 -27.777
  929    HB3  MET 124           HB1      MET 124 -33.848 -37.594 -28.292
  930    HG2  MET 124           HG2      MET 124 -35.463 -39.254 -30.116
  931    HG3  MET 124           HG1      MET 124 -36.054 -37.601 -29.985
  932    HE1  MET 124           HE1      MET 124 -35.280 -38.085 -32.796
  933    HE2  MET 124           HE2      MET 124 -34.277 -36.663 -33.042
  934    HE3  MET 124           HE3      MET 124 -35.684 -36.559 -32.000
  935    H    ARG 125           HN       ARG 125 -32.022 -40.011 -27.367
  936    HA   ARG 125           HA       ARG 125 -32.295 -39.647 -24.448
  937    HB2  ARG 125           HB2      ARG 125 -29.937 -40.808 -24.600
  938    HB3  ARG 125           HB1      ARG 125 -31.400 -41.775 -24.775
  939    HG2  ARG 125           HG2      ARG 125 -31.231 -41.719 -27.187
  940    HG3  ARG 125           HG1      ARG 125 -29.888 -40.576 -27.109
  941    HD2  ARG 125           HD2      ARG 125 -29.025 -42.823 -27.498
  942    HD3  ARG 125           HD1      ARG 125 -28.549 -42.275 -25.892
  943    HE   ARG 125           HE       ARG 125 -31.005 -43.719 -25.778
  944   HH11  ARG 125          HH21      ARG 125 -27.585 -44.051 -26.183
  945   HH12  ARG 125          HH22      ARG 125 -27.521 -45.649 -25.519
  946   HH21  ARG 125          HH11      ARG 125 -30.930 -45.815 -24.905
  947   HH22  ARG 125          HH12      ARG 125 -29.415 -46.647 -24.794
  948    H    GLU 126           HN       GLU 126 -30.644 -38.521 -27.339
  949    HA   GLU 126           HA       GLU 126 -29.656 -36.233 -25.840
  950    HB2  GLU 126           HB2      GLU 126 -27.633 -37.695 -27.522
  951    HB3  GLU 126           HB1      GLU 126 -27.366 -36.453 -26.308
  952    HG2  GLU 126           HG2      GLU 126 -28.092 -38.027 -24.548
  953    HG3  GLU 126           HG1      GLU 126 -28.330 -39.273 -25.770
  954    H    ILE 127           HN       ILE 127 -30.539 -34.679 -26.972
  955    HA   ILE 127           HA       ILE 127 -30.968 -34.833 -29.814
  956    HB   ILE 127           HB       ILE 127 -31.141 -32.318 -28.147
  957   HG12  ILE 127          HG12      ILE 127 -32.438 -33.889 -26.888
  958   HG13  ILE 127          HG11      ILE 127 -33.604 -33.025 -27.894
  959   HG21  ILE 127          HG21      ILE 127 -31.393 -32.009 -30.541
  960   HG22  ILE 127          HG22      ILE 127 -32.969 -31.841 -29.785
  961   HG23  ILE 127          HG23      ILE 127 -32.544 -33.328 -30.630
  962   HD11  ILE 127          HD11      ILE 127 -32.476 -35.790 -28.324
  963   HD12  ILE 127          HD12      ILE 127 -33.317 -34.905 -29.597
  964   HD13  ILE 127          HD13      ILE 127 -34.159 -35.325 -28.108
  965    H    HIS 128           HN       HIS 128 -29.624 -34.375 -31.376
  966    HA   HIS 128           HA       HIS 128 -27.113 -32.947 -30.766
  967    HB2  HIS 128           HB2      HIS 128 -27.832 -34.759 -33.060
  968    HB3  HIS 128           HB1      HIS 128 -26.246 -34.051 -32.774
  969    HD2  HIS 128           HD2      HIS 128 -24.760 -35.313 -30.716
  970    HE1  HIS 128           HE1      HIS 128 -27.664 -38.231 -29.782
  971    HE2  HIS 128           HE2      HIS 128 -25.263 -37.496 -29.372
  972    H    SER 129           HN       SER 129 -29.933 -32.937 -32.879
  973    HA   SER 129           HA       SER 129 -29.355 -30.171 -33.594
  974    HB2  SER 129           HB2      SER 129 -29.294 -32.410 -35.606
  975    HB3  SER 129           HB1      SER 129 -29.710 -30.760 -36.075
  976    HG   SER 129           HG       SER 129 -27.690 -30.209 -34.882
  977    H    CYS 130           HN       CYS 130 -31.147 -29.056 -34.357
  978    HA   CYS 130           HA       CYS 130 -33.695 -30.488 -34.638
  979    HB2  CYS 130           HB2      CYS 130 -34.015 -30.020 -32.388
  980    HB3  CYS 130           HB1      CYS 130 -32.967 -28.601 -32.427
  981    HG   CYS 130           HG       CYS 130 -35.955 -28.543 -32.771
  982    H    LYS 131           HN       LYS 131 -35.192 -29.408 -35.898
  983    HA   LYS 131           HA       LYS 131 -34.268 -26.892 -37.180
  984    HB2  LYS 131           HB2      LYS 131 -35.624 -29.301 -38.403
  985    HB3  LYS 131           HB1      LYS 131 -35.504 -27.738 -39.212
  986    HG2  LYS 131           HG2      LYS 131 -33.064 -27.824 -39.087
  987    HG3  LYS 131           HG1      LYS 131 -33.141 -29.330 -38.175
  988    HD2  LYS 131           HD2      LYS 131 -32.657 -29.840 -40.510
  989    HD3  LYS 131           HD1      LYS 131 -34.278 -30.407 -40.123
  990    HE2  LYS 131           HE2      LYS 131 -35.312 -28.672 -41.319
  991    HE3  LYS 131           HE1      LYS 131 -33.869 -27.655 -41.284
  992    HZ1  LYS 131           HZ1      LYS 131 -32.902 -29.721 -42.584
  993    HZ2  LYS 131           HZ2      LYS 131 -33.708 -28.453 -43.381
  994    HZ3  LYS 131           HZ3      LYS 131 -34.529 -29.899 -43.031
  995    H    VAL 132           HN       VAL 132 -36.327 -26.068 -38.545
  996    HA   VAL 132           HA       VAL 132 -38.271 -24.862 -38.322
  997    HB   VAL 132           HB       VAL 132 -39.209 -27.347 -36.875
  998   HG11  VAL 132          HG11      VAL 132 -41.375 -26.604 -38.094
  999   HG12  VAL 132          HG12      VAL 132 -40.576 -25.046 -38.275
 1000   HG13  VAL 132          HG13      VAL 132 -40.878 -25.696 -36.667
 1001   HG21  VAL 132          HG21      VAL 132 -38.147 -27.935 -39.013
 1002   HG22  VAL 132          HG22      VAL 132 -39.117 -26.714 -39.841
 1003   HG23  VAL 132          HG23      VAL 132 -39.897 -28.124 -39.125
 1004    H    LEU 133           HN       LEU 133 -37.581 -23.235 -36.951
 1005    HA   LEU 133           HA       LEU 133 -38.047 -23.590 -34.046
 1006    HB2  LEU 133           HB2      LEU 133 -36.219 -21.841 -35.670
 1007    HB3  LEU 133           HB1      LEU 133 -36.708 -21.321 -34.056
 1008    HG   LEU 133           HG       LEU 133 -35.793 -23.300 -33.042
 1009   HD11  LEU 133          HD11      LEU 133 -35.591 -24.276 -35.888
 1010   HD12  LEU 133          HD12      LEU 133 -36.312 -25.078 -34.490
 1011   HD13  LEU 133          HD13      LEU 133 -34.558 -24.958 -34.633
 1012   HD21  LEU 133          HD21      LEU 133 -33.377 -23.201 -33.986
 1013   HD22  LEU 133          HD22      LEU 133 -34.069 -21.712 -33.346
 1014   HD23  LEU 133          HD23      LEU 133 -34.001 -21.978 -35.087
 1015    H    GLU 134           HN       GLU 134 -38.802 -21.539 -32.943
 1016    HA   GLU 134           HA       GLU 134 -40.610 -19.928 -34.592
 1017    HB2  GLU 134           HB2      GLU 134 -41.419 -21.989 -32.631
 1018    HB3  GLU 134           HB1      GLU 134 -42.190 -20.431 -32.367
 1019    HG2  GLU 134           HG2      GLU 134 -43.575 -21.694 -33.834
 1020    HG3  GLU 134           HG1      GLU 134 -42.843 -20.431 -34.802
 1021    H    GLY 135           HN       GLY 135 -39.976 -17.924 -34.190
 1022    HA2  GLY 135           HA2      GLY 135 -38.989 -16.133 -33.073
 1023    HA3  GLY 135           HA1      GLY 135 -40.350 -16.424 -31.999
 1024    H    VAL 136           HN       VAL 136 -40.043 -17.626 -30.103
 1025    HA   VAL 136           HA       VAL 136 -37.219 -17.918 -29.238
 1026    HB   VAL 136           HB       VAL 136 -39.564 -17.270 -27.462
 1027   HG11  VAL 136          HG11      VAL 136 -37.806 -16.614 -25.901
 1028   HG12  VAL 136          HG12      VAL 136 -36.571 -16.940 -27.116
 1029   HG13  VAL 136          HG13      VAL 136 -37.515 -18.264 -26.437
 1030   HG21  VAL 136          HG21      VAL 136 -38.462 -14.934 -27.526
 1031   HG22  VAL 136          HG22      VAL 136 -39.468 -15.396 -28.891
 1032   HG23  VAL 136          HG23      VAL 136 -37.711 -15.471 -29.024
 1033    H    TRP 137           HN       TRP 137 -36.770 -19.627 -27.785
 1034    HA   TRP 137           HA       TRP 137 -38.848 -21.707 -27.495
 1035    HB2  TRP 137           HB2      TRP 137 -37.385 -22.016 -29.597
 1036    HB3  TRP 137           HB1      TRP 137 -36.064 -22.369 -28.479
 1037    HD1  TRP 137           HD1      TRP 137 -36.139 -24.592 -27.150
 1038    HE1  TRP 137           HE1      TRP 137 -37.613 -26.712 -27.321
 1039    HE3  TRP 137           HE3      TRP 137 -39.803 -22.840 -30.211
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.043 -27.526 -28.603
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.682 -24.297 -30.900
 1042    HH2  TRP 137           HH2      TRP 137 -41.802 -26.634 -30.095
 1043    H    ILE 138           HN       ILE 138 -37.990 -23.529 -26.070
 1044    HA   ILE 138           HA       ILE 138 -35.924 -22.697 -24.158
 1045    HB   ILE 138           HB       ILE 138 -38.794 -23.263 -23.375
 1046   HG12  ILE 138          HG12      ILE 138 -36.940 -20.943 -22.712
 1047   HG13  ILE 138          HG11      ILE 138 -38.169 -20.899 -23.974
 1048   HG21  ILE 138          HG21      ILE 138 -37.493 -24.523 -21.818
 1049   HG22  ILE 138          HG22      ILE 138 -37.840 -23.007 -20.996
 1050   HG23  ILE 138          HG23      ILE 138 -36.256 -23.271 -21.722
 1051   HD11  ILE 138          HD11      ILE 138 -39.769 -21.670 -21.986
 1052   HD12  ILE 138          HD12      ILE 138 -39.362 -19.970 -22.214
 1053   HD13  ILE 138          HD13      ILE 138 -38.513 -20.920 -21.001
 1054    H    PHE 139           HN       PHE 139 -34.608 -24.352 -23.841
 1055    HA   PHE 139           HA       PHE 139 -35.657 -27.121 -24.070
 1056    HB2  PHE 139           HB2      PHE 139 -33.206 -25.798 -25.057
 1057    HB3  PHE 139           HB1      PHE 139 -32.857 -27.276 -24.170
 1058    HD1  PHE 139           HD1      PHE 139 -35.934 -26.621 -26.203
 1059    HD2  PHE 139           HD2      PHE 139 -32.174 -28.684 -25.955
 1060    HE1  PHE 139           HE1      PHE 139 -36.570 -27.987 -28.148
 1061    HE2  PHE 139           HE2      PHE 139 -32.812 -30.060 -27.916
 1062    HZ   PHE 139           HZ       PHE 139 -35.004 -29.713 -29.016
 1063    H    TYR 140           HN       TYR 140 -35.601 -28.401 -22.400
 1064    HA   TYR 140           HA       TYR 140 -34.346 -27.371 -19.908
 1065    HB2  TYR 140           HB2      TYR 140 -36.835 -28.927 -20.538
 1066    HB3  TYR 140           HB1      TYR 140 -36.083 -29.147 -18.970
 1067    HD1  TYR 140           HD2      TYR 140 -35.533 -27.005 -17.613
 1068    HD2  TYR 140           HD1      TYR 140 -38.265 -27.091 -20.913
 1069    HE1  TYR 140           HE2      TYR 140 -36.586 -24.921 -16.795
 1070    HE2  TYR 140           HE1      TYR 140 -39.317 -25.006 -20.106
 1071    HH   TYR 140           HH       TYR 140 -39.475 -23.592 -18.337
 1072    H    GLU 141           HN       GLU 141 -32.435 -28.344 -19.597
 1073    HA   GLU 141           HA       GLU 141 -31.479 -30.652 -20.690
 1074    HB2  GLU 141           HB2      GLU 141 -30.203 -28.960 -19.325
 1075    HB3  GLU 141           HB1      GLU 141 -30.831 -29.758 -17.881
 1076    HG2  GLU 141           HG2      GLU 141 -29.825 -31.890 -18.620
 1077    HG3  GLU 141           HG1      GLU 141 -29.203 -31.090 -20.062
 1078    H    LEU 142           HN       LEU 142 -33.827 -30.360 -18.167
 1079    HA   LEU 142           HA       LEU 142 -33.747 -33.295 -17.732
 1080    HB2  LEU 142           HB2      LEU 142 -34.027 -31.028 -15.846
 1081    HB3  LEU 142           HB1      LEU 142 -35.119 -32.355 -15.544
 1082    HG   LEU 142           HG       LEU 142 -33.228 -33.918 -15.467
 1083   HD11  LEU 142          HD11      LEU 142 -31.593 -33.090 -16.918
 1084   HD12  LEU 142          HD12      LEU 142 -30.894 -32.713 -15.349
 1085   HD13  LEU 142          HD13      LEU 142 -31.702 -31.452 -16.278
 1086   HD21  LEU 142          HD21      LEU 142 -32.961 -31.437 -13.747
 1087   HD22  LEU 142          HD22      LEU 142 -32.100 -32.940 -13.424
 1088   HD23  LEU 142          HD23      LEU 142 -33.862 -32.905 -13.369
 1089    HA   PRO 143           HA       PRO 143 -37.897 -33.381 -19.144
 1090    HB2  PRO 143           HB2      PRO 143 -38.971 -35.467 -17.767
 1091    HB3  PRO 143           HB1      PRO 143 -37.719 -35.692 -19.005
 1092    HG2  PRO 143           HG2      PRO 143 -37.456 -35.676 -16.037
 1093    HG3  PRO 143           HG1      PRO 143 -36.645 -36.696 -17.235
 1094    HD2  PRO 143           HD2      PRO 143 -35.480 -34.494 -16.040
 1095    HD3  PRO 143           HD1      PRO 143 -34.979 -35.158 -17.604
 1096    H    ASN 144           HN       ASN 144 -40.188 -33.297 -18.471
 1097    HA   ASN 144           HA       ASN 144 -41.939 -32.482 -17.246
 1098    HB2  ASN 144           HB2      ASN 144 -40.182 -32.172 -14.819
 1099    HB3  ASN 144           HB1      ASN 144 -41.900 -32.559 -14.911
 1100   HD21  ASN 144          HD21      ASN 144 -38.687 -33.923 -14.932
 1101   HD22  ASN 144          HD22      ASN 144 -39.164 -35.545 -15.067
 1102    H    TYR 145           HN       TYR 145 -39.441 -30.855 -18.360
 1103    HA   TYR 145           HA       TYR 145 -39.237 -28.639 -18.876
 1104    HB2  TYR 145           HB2      TYR 145 -41.273 -27.805 -16.830
 1105    HB3  TYR 145           HB1      TYR 145 -40.913 -27.106 -18.405
 1106    HD1  TYR 145           HD2      TYR 145 -41.151 -29.054 -20.390
 1107    HD2  TYR 145           HD1      TYR 145 -43.374 -28.827 -16.717
 1108    HE1  TYR 145           HE2      TYR 145 -42.988 -30.380 -21.412
 1109    HE2  TYR 145           HE1      TYR 145 -45.197 -30.157 -17.742
 1110    HH   TYR 145           HH       TYR 145 -44.886 -31.492 -21.014
 1111    H    ARG 146           HN       ARG 146 -37.873 -30.104 -16.667
 1112    HA   ARG 146           HA       ARG 146 -37.107 -27.815 -14.937
 1113    HB2  ARG 146           HB2      ARG 146 -36.928 -30.792 -14.440
 1114    HB3  ARG 146           HB1      ARG 146 -36.267 -29.555 -13.369
 1115    HG2  ARG 146           HG2      ARG 146 -38.499 -28.576 -13.084
 1116    HG3  ARG 146           HG1      ARG 146 -39.178 -29.771 -14.190
 1117    HD2  ARG 146           HD2      ARG 146 -39.580 -30.501 -11.909
 1118    HD3  ARG 146           HD1      ARG 146 -38.394 -31.574 -12.649
 1119    HE   ARG 146           HE       ARG 146 -37.065 -29.451 -11.319
 1120   HH11  ARG 146          HH21      ARG 146 -38.911 -32.320 -10.757
 1121   HH12  ARG 146          HH22      ARG 146 -38.177 -32.660  -9.226
 1122   HH21  ARG 146          HH11      ARG 146 -36.097 -29.882  -9.315
 1123   HH22  ARG 146          HH12      ARG 146 -36.581 -31.278  -8.408
 1124    H    GLY 147           HN       GLY 147 -34.767 -28.071 -14.124
 1125    HA2  GLY 147           HA2      GLY 147 -32.496 -28.535 -14.573
 1126    HA3  GLY 147           HA1      GLY 147 -32.946 -29.177 -16.139
 1127    H    ARG 148           HN       ARG 148 -30.823 -27.631 -16.130
 1128    HA   ARG 148           HA       ARG 148 -30.965 -24.901 -16.319
 1129    HB2  ARG 148           HB2      ARG 148 -29.455 -26.907 -17.995
 1130    HB3  ARG 148           HB1      ARG 148 -29.248 -25.164 -18.206
 1131    HG2  ARG 148           HG2      ARG 148 -28.581 -24.923 -15.879
 1132    HG3  ARG 148           HG1      ARG 148 -28.882 -26.635 -15.579
 1133    HD2  ARG 148           HD2      ARG 148 -27.135 -27.242 -17.182
 1134    HD3  ARG 148           HD1      ARG 148 -26.863 -25.542 -17.557
 1135    HE   ARG 148           HE       ARG 148 -26.569 -26.105 -14.752
 1136   HH11  ARG 148          HH21      ARG 148 -25.070 -26.238 -17.866
 1137   HH12  ARG 148          HH22      ARG 148 -23.455 -26.138 -17.247
 1138   HH21  ARG 148          HH11      ARG 148 -24.456 -25.972 -13.929
 1139   HH22  ARG 148          HH12      ARG 148 -23.107 -25.989 -15.017
 1140    H    GLN 149           HN       GLN 149 -31.244 -23.458 -18.102
 1141    HA   GLN 149           HA       GLN 149 -33.143 -24.441 -20.159
 1142    HB2  GLN 149           HB2      GLN 149 -33.125 -21.859 -18.596
 1143    HB3  GLN 149           HB1      GLN 149 -34.074 -22.084 -20.063
 1144    HG2  GLN 149           HG2      GLN 149 -35.645 -22.683 -18.456
 1145    HG3  GLN 149           HG1      GLN 149 -34.926 -24.259 -18.779
 1146   HE21  GLN 149          HE21      GLN 149 -36.115 -22.871 -16.230
 1147   HE22  GLN 149          HE22      GLN 149 -34.939 -23.192 -15.042
 1148    H    TYR 150           HN       TYR 150 -32.506 -24.164 -22.170
 1149    HA   TYR 150           HA       TYR 150 -30.224 -22.346 -22.717
 1150    HB2  TYR 150           HB2      TYR 150 -31.234 -24.767 -24.226
 1151    HB3  TYR 150           HB1      TYR 150 -29.920 -23.722 -24.767
 1152    HD1  TYR 150           HD2      TYR 150 -28.069 -23.237 -22.890
 1153    HD2  TYR 150           HD1      TYR 150 -30.651 -26.670 -22.990
 1154    HE1  TYR 150           HE2      TYR 150 -26.471 -24.483 -21.459
 1155    HE2  TYR 150           HE1      TYR 150 -29.052 -27.913 -21.562
 1156    HH   TYR 150           HH       TYR 150 -26.121 -27.386 -21.200
 1157    H    LEU 151           HN       LEU 151 -30.508 -20.628 -23.984
 1158    HA   LEU 151           HA       LEU 151 -32.717 -20.548 -25.910
 1159    HB2  LEU 151           HB2      LEU 151 -33.424 -19.603 -23.592
 1160    HB3  LEU 151           HB1      LEU 151 -32.376 -18.242 -23.993
 1161    HG   LEU 151           HG       LEU 151 -34.648 -19.245 -25.742
 1162   HD11  LEU 151          HD11      LEU 151 -34.484 -17.084 -23.647
 1163   HD12  LEU 151          HD12      LEU 151 -35.737 -18.296 -23.902
 1164   HD13  LEU 151          HD13      LEU 151 -35.602 -16.928 -25.000
 1165   HD21  LEU 151          HD21      LEU 151 -33.179 -18.142 -27.201
 1166   HD22  LEU 151          HD22      LEU 151 -32.639 -17.006 -25.967
 1167   HD23  LEU 151          HD23      LEU 151 -34.233 -16.826 -26.695
 1168    H    LEU 152           HN       LEU 152 -31.240 -20.453 -27.573
 1169    HA   LEU 152           HA       LEU 152 -29.959 -17.865 -27.965
 1170    HB2  LEU 152           HB2      LEU 152 -28.208 -19.225 -26.857
 1171    HB3  LEU 152           HB1      LEU 152 -28.381 -20.448 -28.114
 1172    HG   LEU 152           HG       LEU 152 -27.725 -18.769 -29.825
 1173   HD11  LEU 152          HD11      LEU 152 -28.307 -16.651 -29.041
 1174   HD12  LEU 152          HD12      LEU 152 -26.576 -16.652 -28.715
 1175   HD13  LEU 152          HD13      LEU 152 -27.718 -16.972 -27.409
 1176   HD21  LEU 152          HD21      LEU 152 -25.972 -20.158 -28.913
 1177   HD22  LEU 152          HD22      LEU 152 -25.848 -19.146 -27.475
 1178   HD23  LEU 152          HD23      LEU 152 -25.338 -18.518 -29.041
 1179    H    ASP 153           HN       ASP 153 -30.665 -17.246 -29.897
 1180    HA   ASP 153           HA       ASP 153 -31.051 -19.293 -32.019
 1181    HB2  ASP 153           HB2      ASP 153 -32.470 -16.665 -31.521
 1182    HB3  ASP 153           HB1      ASP 153 -32.655 -17.622 -32.989
 1183    H    LYS 154           HN       LYS 154 -30.064 -19.000 -33.950
 1184    HA   LYS 154           HA       LYS 154 -28.941 -16.448 -34.721
 1185    HB2  LYS 154           HB2      LYS 154 -26.604 -17.609 -34.974
 1186    HB3  LYS 154           HB1      LYS 154 -27.085 -16.968 -33.403
 1187    HG2  LYS 154           HG2      LYS 154 -27.750 -19.152 -32.626
 1188    HG3  LYS 154           HG1      LYS 154 -27.547 -19.840 -34.234
 1189    HD2  LYS 154           HD2      LYS 154 -25.603 -20.439 -32.927
 1190    HD3  LYS 154           HD1      LYS 154 -25.106 -19.238 -34.117
 1191    HE2  LYS 154           HE2      LYS 154 -25.011 -17.508 -32.499
 1192    HE3  LYS 154           HE1      LYS 154 -25.947 -18.438 -31.329
 1193    HZ1  LYS 154           HZ1      LYS 154 -23.267 -18.279 -31.365
 1194    HZ2  LYS 154           HZ2      LYS 154 -23.524 -19.724 -32.223
 1195    HZ3  LYS 154           HZ3      LYS 154 -24.144 -19.544 -30.651
 1196    H    LYS 155           HN       LYS 155 -28.980 -19.955 -35.288
 1197    HA   LYS 155           HA       LYS 155 -29.999 -19.710 -37.913
 1198    HB2  LYS 155           HB2      LYS 155 -27.888 -20.628 -39.058
 1199    HB3  LYS 155           HB1      LYS 155 -27.901 -18.911 -38.651
 1200    HG2  LYS 155           HG2      LYS 155 -26.643 -19.373 -36.591
 1201    HG3  LYS 155           HG1      LYS 155 -26.648 -21.096 -36.960
 1202    HD2  LYS 155           HD2      LYS 155 -25.392 -20.667 -39.035
 1203    HD3  LYS 155           HD1      LYS 155 -25.401 -18.937 -38.685
 1204    HE2  LYS 155           HE2      LYS 155 -23.290 -19.704 -37.907
 1205    HE3  LYS 155           HE1      LYS 155 -24.279 -19.550 -36.454
 1206    HZ1  LYS 155           HZ1      LYS 155 -24.288 -21.750 -36.130
 1207    HZ2  LYS 155           HZ2      LYS 155 -22.929 -21.763 -37.149
 1208    HZ3  LYS 155           HZ3      LYS 155 -24.469 -22.109 -37.776
 1209    H    GLU 156           HN       GLU 156 -31.238 -21.250 -36.516
 1210    HA   GLU 156           HA       GLU 156 -31.896 -23.375 -35.963
 1211    HB2  GLU 156           HB2      GLU 156 -31.055 -23.392 -38.597
 1212    HB3  GLU 156           HB1      GLU 156 -30.105 -24.710 -37.921
 1213    HG2  GLU 156           HG2      GLU 156 -32.131 -25.719 -38.643
 1214    HG3  GLU 156           HG1      GLU 156 -32.307 -25.554 -36.895
 1215    H    TYR 157           HN       TYR 157 -30.771 -25.786 -35.727
 1216    HA   TYR 157           HA       TYR 157 -28.253 -25.405 -34.233
 1217    HB2  TYR 157           HB2      TYR 157 -30.452 -27.221 -33.281
 1218    HB3  TYR 157           HB1      TYR 157 -29.023 -26.684 -32.398
 1219    HD1  TYR 157           HD2      TYR 157 -28.889 -23.830 -32.693
 1220    HD2  TYR 157           HD1      TYR 157 -32.390 -26.303 -32.349
 1221    HE1  TYR 157           HE2      TYR 157 -30.161 -21.907 -31.814
 1222    HE2  TYR 157           HE1      TYR 157 -33.660 -24.366 -31.467
 1223    HH   TYR 157           HH       TYR 157 -32.068 -21.272 -30.802
 1224    H    ARG 158           HN       ARG 158 -26.786 -26.459 -35.364
 1225    HA   ARG 158           HA       ARG 158 -27.474 -29.078 -36.531
 1226    HB2  ARG 158           HB2      ARG 158 -25.587 -28.775 -37.996
 1227    HB3  ARG 158           HB1      ARG 158 -26.574 -27.317 -38.045
 1228    HG2  ARG 158           HG2      ARG 158 -25.045 -26.257 -36.390
 1229    HG3  ARG 158           HG1      ARG 158 -24.033 -27.699 -36.435
 1230    HD2  ARG 158           HD2      ARG 158 -23.116 -26.029 -37.949
 1231    HD3  ARG 158           HD1      ARG 158 -23.732 -27.397 -38.874
 1232    HE   ARG 158           HE       ARG 158 -25.755 -25.420 -38.598
 1233   HH11  ARG 158          HH21      ARG 158 -22.761 -26.114 -40.177
 1234   HH12  ARG 158          HH22      ARG 158 -23.100 -25.125 -41.559
 1235   HH21  ARG 158          HH11      ARG 158 -26.213 -24.123 -40.405
 1236   HH22  ARG 158          HH12      ARG 158 -25.057 -23.997 -41.688
 1237    H    LYS 159           HN       LYS 159 -25.474 -27.503 -34.165
 1238    HA   LYS 159           HA       LYS 159 -24.162 -30.087 -33.539
 1239    HB2  LYS 159           HB2      LYS 159 -22.418 -28.468 -32.418
 1240    HB3  LYS 159           HB1      LYS 159 -22.376 -28.711 -34.165
 1241    HG2  LYS 159           HG2      LYS 159 -23.786 -26.633 -34.413
 1242    HG3  LYS 159           HG1      LYS 159 -23.650 -26.418 -32.678
 1243    HD2  LYS 159           HD2      LYS 159 -21.233 -26.256 -32.847
 1244    HD3  LYS 159           HD1      LYS 159 -21.321 -26.511 -34.591
 1245    HE2  LYS 159           HE2      LYS 159 -22.618 -24.206 -33.099
 1246    HE3  LYS 159           HE1      LYS 159 -21.112 -24.096 -34.010
 1247    HZ1  LYS 159           HZ1      LYS 159 -22.322 -24.788 -35.995
 1248    HZ2  LYS 159           HZ2      LYS 159 -22.969 -23.360 -35.343
 1249    HZ3  LYS 159           HZ3      LYS 159 -23.767 -24.841 -35.110
 1250    HA   PRO 160           HA       PRO 160 -26.003 -30.020 -29.568
 1251    HB2  PRO 160           HB2      PRO 160 -23.835 -30.718 -27.934
 1252    HB3  PRO 160           HB1      PRO 160 -24.873 -31.833 -28.814
 1253    HG2  PRO 160           HG2      PRO 160 -22.205 -30.802 -29.549
 1254    HG3  PRO 160           HG1      PRO 160 -22.894 -32.411 -29.811
 1255    HD2  PRO 160           HD2      PRO 160 -22.695 -30.619 -31.811
 1256    HD3  PRO 160           HD1      PRO 160 -24.049 -31.747 -31.718
 1257    H    ILE 161           HN       ILE 161 -23.243 -28.017 -30.162
 1258    HA   ILE 161           HA       ILE 161 -23.682 -26.521 -27.666
 1259    HB   ILE 161           HB       ILE 161 -21.549 -26.124 -29.773
 1260   HG12  ILE 161          HG12      ILE 161 -20.293 -27.359 -27.652
 1261   HG13  ILE 161          HG11      ILE 161 -21.848 -28.185 -27.628
 1262   HG21  ILE 161          HG21      ILE 161 -21.635 -24.209 -28.404
 1263   HG22  ILE 161          HG22      ILE 161 -20.377 -25.192 -27.662
 1264   HG23  ILE 161          HG23      ILE 161 -21.986 -25.143 -26.950
 1265   HD11  ILE 161          HD11      ILE 161 -19.904 -27.988 -29.948
 1266   HD12  ILE 161          HD12      ILE 161 -21.541 -28.627 -30.103
 1267   HD13  ILE 161          HD13      ILE 161 -20.371 -29.441 -29.064
 1268    H    ASP 162           HN       ASP 162 -24.816 -26.553 -30.755
 1269    HA   ASP 162           HA       ASP 162 -24.672 -23.884 -31.573
 1270    HB2  ASP 162           HB2      ASP 162 -25.734 -26.097 -32.743
 1271    HB3  ASP 162           HB1      ASP 162 -27.196 -25.324 -32.202
 1272    H    TRP 163           HN       TRP 163 -26.694 -25.449 -29.179
 1273    HA   TRP 163           HA       TRP 163 -28.278 -22.973 -28.866
 1274    HB2  TRP 163           HB2      TRP 163 -29.695 -24.570 -27.397
 1275    HB3  TRP 163           HB1      TRP 163 -29.794 -24.736 -29.151
 1276    HD1  TRP 163           HD1      TRP 163 -27.352 -26.131 -26.483
 1277    HE1  TRP 163           HE1      TRP 163 -27.066 -28.654 -26.918
 1278    HE3  TRP 163           HE3      TRP 163 -30.444 -26.744 -30.506
 1279    HZ2  TRP 163           HZ2      TRP 163 -27.983 -30.639 -28.680
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.694 -28.980 -31.551
 1281    HH2  TRP 163           HH2      TRP 163 -29.439 -30.917 -30.631
 1282    H    GLY 164           HN       GLY 164 -25.472 -23.624 -27.898
 1283    HA2  GLY 164           HA2      GLY 164 -24.248 -22.961 -26.079
 1284    HA3  GLY 164           HA1      GLY 164 -25.740 -22.353 -25.380
 1285    H    ALA 165           HN       ALA 165 -25.387 -25.784 -26.224
 1286    HA   ALA 165           HA       ALA 165 -25.387 -26.379 -23.297
 1287    HB1  ALA 165           HB1      ALA 165 -26.214 -28.154 -25.570
 1288    HB2  ALA 165           HB2      ALA 165 -27.325 -27.290 -24.508
 1289    HB3  ALA 165           HB3      ALA 165 -26.285 -28.559 -23.863
 1290    H    ALA 166           HN       ALA 166 -23.828 -27.587 -22.427
 1291    HA   ALA 166           HA       ALA 166 -21.402 -27.937 -23.918
 1292    HB1  ALA 166           HB1      ALA 166 -22.098 -28.927 -21.139
 1293    HB2  ALA 166           HB2      ALA 166 -21.452 -27.326 -21.496
 1294    HB3  ALA 166           HB3      ALA 166 -20.481 -28.761 -21.821
 1295    H    SER 167           HN       SER 167 -23.966 -29.520 -24.579
 1296    HA   SER 167           HA       SER 167 -22.809 -31.799 -25.578
 1297    HB2  SER 167           HB2      SER 167 -23.397 -32.004 -22.695
 1298    HB3  SER 167           HB1      SER 167 -23.992 -33.353 -23.654
 1299    HG   SER 167           HG       SER 167 -22.011 -33.981 -23.936
 1300    HA   PRO 168           HA       PRO 168 -26.969 -32.221 -27.160
 1301    HB2  PRO 168           HB2      PRO 168 -26.963 -34.822 -28.037
 1302    HB3  PRO 168           HB1      PRO 168 -26.071 -33.542 -28.864
 1303    HG2  PRO 168           HG2      PRO 168 -25.073 -35.591 -26.963
 1304    HG3  PRO 168           HG1      PRO 168 -24.316 -34.972 -28.439
 1305    HD2  PRO 168           HD2      PRO 168 -23.569 -34.148 -25.927
 1306    HD3  PRO 168           HD1      PRO 168 -23.428 -33.114 -27.363
 1307    H    ALA 169           HN       ALA 169 -26.063 -33.498 -24.282
 1308    HA   ALA 169           HA       ALA 169 -28.165 -35.442 -23.899
 1309    HB1  ALA 169           HB1      ALA 169 -25.882 -35.521 -22.801
 1310    HB2  ALA 169           HB2      ALA 169 -27.248 -35.682 -21.695
 1311    HB3  ALA 169           HB3      ALA 169 -26.389 -34.147 -21.820
 1312    H    VAL 170           HN       VAL 170 -29.805 -33.737 -24.601
 1313    HA   VAL 170           HA       VAL 170 -30.512 -31.892 -22.417
 1314    HB   VAL 170           HB       VAL 170 -31.904 -32.138 -25.081
 1315   HG11  VAL 170          HG11      VAL 170 -32.990 -30.229 -24.438
 1316   HG12  VAL 170          HG12      VAL 170 -31.509 -29.476 -23.851
 1317   HG13  VAL 170          HG13      VAL 170 -32.412 -30.573 -22.814
 1318   HG21  VAL 170          HG21      VAL 170 -30.317 -30.276 -25.797
 1319   HG22  VAL 170          HG22      VAL 170 -29.603 -31.885 -25.681
 1320   HG23  VAL 170          HG23      VAL 170 -29.328 -30.704 -24.401
 1321    H    GLN 171           HN       GLN 171 -33.322 -31.968 -23.401
 1322    HA   GLN 171           HA       GLN 171 -34.252 -34.615 -22.916
 1323    HB2  GLN 171           HB2      GLN 171 -33.620 -33.491 -20.609
 1324    HB3  GLN 171           HB1      GLN 171 -35.174 -32.691 -20.803
 1325    HG2  GLN 171           HG2      GLN 171 -35.761 -34.640 -19.677
 1326    HG3  GLN 171           HG1      GLN 171 -36.071 -35.089 -21.342
 1327   HE21  GLN 171          HE21      GLN 171 -34.219 -36.314 -22.453
 1328   HE22  GLN 171          HE22      GLN 171 -33.255 -37.330 -21.491
 1329    H    SER 172           HN       SER 172 -36.681 -32.973 -21.638
 1330    HA   SER 172           HA       SER 172 -37.985 -32.703 -24.239
 1331    HB2  SER 172           HB2      SER 172 -38.748 -33.885 -21.969
 1332    HB3  SER 172           HB1      SER 172 -39.491 -32.304 -21.732
 1333    HG   SER 172           HG       SER 172 -39.683 -33.813 -24.128
 1334    H    PHE 173           HN       PHE 173 -40.049 -30.943 -23.366
 1335    HA   PHE 173           HA       PHE 173 -38.918 -28.444 -22.651
 1336    HB2  PHE 173           HB2      PHE 173 -39.070 -27.330 -24.846
 1337    HB3  PHE 173           HB1      PHE 173 -37.864 -28.623 -24.848
 1338    HD1  PHE 173           HD1      PHE 173 -41.314 -27.724 -25.863
 1339    HD2  PHE 173           HD2      PHE 173 -38.127 -30.582 -26.191
 1340    HE1  PHE 173           HE1      PHE 173 -42.512 -28.850 -27.710
 1341    HE2  PHE 173           HE2      PHE 173 -39.331 -31.713 -28.037
 1342    HZ   PHE 173           HZ       PHE 173 -41.529 -30.848 -28.799
 1343    H    ARG 174           HN       ARG 174 -40.499 -26.623 -23.615
 1344    HA   ARG 174           HA       ARG 174 -43.238 -27.488 -23.824
 1345    HB2  ARG 174           HB2      ARG 174 -43.909 -26.110 -21.788
 1346    HB3  ARG 174           HB1      ARG 174 -43.183 -27.683 -21.481
 1347    HG2  ARG 174           HG2      ARG 174 -41.128 -26.769 -20.807
 1348    HG3  ARG 174           HG1      ARG 174 -41.426 -25.234 -21.620
 1349    HD2  ARG 174           HD2      ARG 174 -42.953 -26.227 -19.200
 1350    HD3  ARG 174           HD1      ARG 174 -41.638 -25.051 -19.157
 1351    HE   ARG 174           HE       ARG 174 -43.494 -24.078 -20.981
 1352   HH11  ARG 174          HH21      ARG 174 -43.332 -24.930 -17.632
 1353   HH12  ARG 174          HH22      ARG 174 -44.516 -23.769 -17.137
 1354   HH21  ARG 174          HH11      ARG 174 -45.046 -22.547 -20.339
 1355   HH22  ARG 174          HH12      ARG 174 -45.487 -22.418 -18.669
 1356    H    ARG 175           HN       ARG 175 -44.329 -26.069 -25.005
 1357    HA   ARG 175           HA       ARG 175 -43.175 -23.878 -26.222
 1358    HB2  ARG 175           HB2      ARG 175 -45.429 -23.263 -26.905
 1359    HB3  ARG 175           HB1      ARG 175 -45.283 -25.017 -26.947
 1360    HG2  ARG 175           HG2      ARG 175 -46.283 -25.092 -24.642
 1361    HG3  ARG 175           HG1      ARG 175 -46.599 -23.364 -24.786
 1362    HD2  ARG 175           HD2      ARG 175 -47.947 -23.772 -26.809
 1363    HD3  ARG 175           HD1      ARG 175 -47.639 -25.500 -26.666
 1364    HE   ARG 175           HE       ARG 175 -48.803 -24.368 -24.284
 1365   HH11  ARG 175          HH21      ARG 175 -49.415 -25.619 -27.458
 1366   HH12  ARG 175          HH22      ARG 175 -51.032 -26.120 -27.094
 1367   HH21  ARG 175          HH11      ARG 175 -50.917 -25.028 -23.806
 1368   HH22  ARG 175          HH12      ARG 175 -51.882 -25.788 -25.027
 1369    H    ILE 176           HN       ILE 176 -42.889 -21.802 -25.781
 1370    HA   ILE 176           HA       ILE 176 -43.118 -20.891 -23.083
 1371    HB   ILE 176           HB       ILE 176 -42.674 -19.173 -25.535
 1372   HG12  ILE 176          HG12      ILE 176 -40.720 -20.844 -23.929
 1373   HG13  ILE 176          HG11      ILE 176 -41.106 -21.027 -25.641
 1374   HG21  ILE 176          HG21      ILE 176 -41.620 -18.889 -22.709
 1375   HG22  ILE 176          HG22      ILE 176 -43.115 -18.128 -23.253
 1376   HG23  ILE 176          HG23      ILE 176 -41.580 -17.687 -24.000
 1377   HD11  ILE 176          HD11      ILE 176 -40.356 -18.467 -25.711
 1378   HD12  ILE 176          HD12      ILE 176 -39.177 -19.772 -25.818
 1379   HD13  ILE 176          HD13      ILE 176 -39.441 -18.944 -24.285
 1380    H    VAL 177           HN       VAL 177 -44.693 -19.725 -22.110
 1381    HA   VAL 177           HA       VAL 177 -46.873 -18.602 -23.755
 1382    HB   VAL 177           HB       VAL 177 -47.296 -20.319 -21.296
 1383   HG11  VAL 177          HG11      VAL 177 -49.011 -18.644 -21.462
 1384   HG12  VAL 177          HG12      VAL 177 -49.701 -20.136 -22.101
 1385   HG13  VAL 177          HG13      VAL 177 -49.154 -18.875 -23.205
 1386   HG21  VAL 177          HG21      VAL 177 -47.612 -20.859 -24.258
 1387   HG22  VAL 177          HG22      VAL 177 -48.435 -21.817 -23.028
 1388   HG23  VAL 177          HG23      VAL 177 -46.674 -21.778 -23.082
 1389    H    GLU 178           HN       GLU 178 -48.110 -16.983 -22.675
 1390    HA   GLU 178           HA       GLU 178 -47.486 -16.065 -20.063
 1391    HB2  GLU 178           HB2      GLU 178 -45.410 -15.429 -21.458
 1392    HB3  GLU 178           HB1      GLU 178 -46.455 -14.237 -22.229
 1393    HG2  GLU 178           HG2      GLU 178 -45.373 -13.123 -20.401
 1394    HG3  GLU 178           HG1      GLU 178 -47.035 -13.425 -19.901
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1 -52.827  -0.053 -21.022
    2    H2   GLY   1           HT2      GLY   1 -53.499   0.751 -22.359
    3    H3   GLY   1           HT3      GLY   1 -52.689   1.632 -21.155
    4    HA2  GLY   1           HA2      GLY   1 -51.135  -0.466 -22.419
    5    HA3  GLY   1           HA1      GLY   1 -51.554   0.905 -23.448
    6    H    SER   2           HN       SER   2 -49.556  -0.224 -20.913
    7    HA   SER   2           HA       SER   2 -48.608   2.488 -20.229
    8    HB2  SER   2           HB2      SER   2 -47.632  -0.042 -18.955
    9    HB3  SER   2           HB1      SER   2 -47.701   1.575 -18.282
   10    HG   SER   2           HG       SER   2 -49.550  -0.389 -18.240
   11    H    LYS   3           HN       LYS   3 -47.626   2.690 -22.354
   12    HA   LYS   3           HA       LYS   3 -45.787   2.746 -23.736
   13    HB2  LYS   3           HB2      LYS   3 -44.255   1.497 -21.449
   14    HB3  LYS   3           HB1      LYS   3 -43.636   2.538 -22.733
   15    HG2  LYS   3           HG2      LYS   3 -45.060   4.390 -21.873
   16    HG3  LYS   3           HG1      LYS   3 -45.574   3.350 -20.548
   17    HD2  LYS   3           HD2      LYS   3 -43.243   3.126 -19.795
   18    HD3  LYS   3           HD1      LYS   3 -42.708   4.150 -21.126
   19    HE2  LYS   3           HE2      LYS   3 -44.067   6.011 -20.254
   20    HE3  LYS   3           HE1      LYS   3 -44.618   4.990 -18.926
   21    HZ1  LYS   3           HZ1      LYS   3 -41.857   5.926 -19.466
   22    HZ2  LYS   3           HZ2      LYS   3 -42.218   4.704 -18.342
   23    HZ3  LYS   3           HZ3      LYS   3 -42.826   6.275 -18.118
   24    H    THR   4           HN       THR   4 -47.112  -0.054 -22.549
   25    HA   THR   4           HA       THR   4 -46.881  -2.307 -23.014
   26    HB   THR   4           HB       THR   4 -46.361  -1.346 -25.823
   27    HG1  THR   4           HG1      THR   4 -48.717  -1.188 -24.265
   28   HG21  THR   4          HG21      THR   4 -48.012  -3.582 -24.614
   29   HG22  THR   4          HG22      THR   4 -46.476  -3.762 -25.466
   30   HG23  THR   4          HG23      THR   4 -47.909  -3.219 -26.338
   31    H    GLY   5           HN       GLY   5 -44.773  -2.291 -21.819
   32    HA2  GLY   5           HA2      GLY   5 -42.673  -3.379 -23.558
   33    HA3  GLY   5           HA1      GLY   5 -42.251  -2.021 -22.518
   34    H    THR   6           HN       THR   6 -41.012  -4.514 -22.328
   35    HA   THR   6           HA       THR   6 -42.175  -5.972 -20.089
   36    HB   THR   6           HB       THR   6 -40.221  -7.421 -20.325
   37    HG1  THR   6           HG1      THR   6 -38.514  -6.824 -21.454
   38   HG21  THR   6          HG21      THR   6 -41.997  -7.924 -21.849
   39   HG22  THR   6          HG22      THR   6 -40.508  -7.987 -22.792
   40   HG23  THR   6          HG23      THR   6 -41.564  -6.577 -22.903
   41    H    LYS   7           HN       LYS   7 -40.918  -6.338 -18.135
   42    HA   LYS   7           HA       LYS   7 -38.807  -4.510 -17.416
   43    HB2  LYS   7           HB2      LYS   7 -40.443  -2.891 -17.015
   44    HB3  LYS   7           HB1      LYS   7 -41.611  -4.081 -16.447
   45    HG2  LYS   7           HG2      LYS   7 -40.509  -4.342 -14.362
   46    HG3  LYS   7           HG1      LYS   7 -39.035  -3.554 -14.959
   47    HD2  LYS   7           HD2      LYS   7 -40.029  -1.414 -14.923
   48    HD3  LYS   7           HD1      LYS   7 -41.657  -2.072 -14.817
   49    HE2  LYS   7           HE2      LYS   7 -41.360  -2.737 -12.555
   50    HE3  LYS   7           HE1      LYS   7 -39.611  -2.562 -12.642
   51    HZ1  LYS   7           HZ1      LYS   7 -39.805  -0.226 -12.727
   52    HZ2  LYS   7           HZ2      LYS   7 -40.844  -0.730 -11.480
   53    HZ3  LYS   7           HZ3      LYS   7 -41.480  -0.287 -12.991
   54    H    ILE   8           HN       ILE   8 -37.783  -5.038 -15.443
   55    HA   ILE   8           HA       ILE   8 -38.861  -7.281 -13.911
   56    HB   ILE   8           HB       ILE   8 -37.523  -8.308 -15.737
   57   HG12  ILE   8          HG12      ILE   8 -36.083  -8.656 -13.100
   58   HG13  ILE   8          HG11      ILE   8 -37.741  -9.217 -13.316
   59   HG21  ILE   8          HG21      ILE   8 -35.859  -6.508 -16.004
   60   HG22  ILE   8          HG22      ILE   8 -35.078  -8.054 -15.671
   61   HG23  ILE   8          HG23      ILE   8 -35.223  -6.855 -14.398
   62   HD11  ILE   8          HD11      ILE   8 -37.130 -10.767 -14.987
   63   HD12  ILE   8          HD12      ILE   8 -35.846 -10.906 -13.789
   64   HD13  ILE   8          HD13      ILE   8 -35.574  -9.987 -15.270
   65    H    THR   9           HN       THR   9 -38.218  -7.368 -11.799
   66    HA   THR   9           HA       THR   9 -36.303  -5.298 -10.938
   67    HB   THR   9           HB       THR   9 -38.839  -6.111  -9.518
   68    HG1  THR   9           HG1      THR   9 -38.644  -4.585 -11.517
   69   HG21  THR   9          HG21      THR   9 -37.114  -5.534  -7.929
   70   HG22  THR   9          HG22      THR   9 -38.216  -4.162  -8.057
   71   HG23  THR   9          HG23      THR   9 -36.656  -4.117  -8.877
   72    H    PHE  10           HN       PHE  10 -34.821  -5.848  -9.442
   73    HA   PHE  10           HA       PHE  10 -34.872  -8.627  -8.423
   74    HB2  PHE  10           HB2      PHE  10 -32.436  -6.961  -9.060
   75    HB3  PHE  10           HB1      PHE  10 -32.472  -8.663  -8.609
   76    HD1  PHE  10           HD2      PHE  10 -33.598 -10.321 -10.167
   77    HD2  PHE  10           HD1      PHE  10 -32.752  -6.272 -11.310
   78    HE1  PHE  10           HE2      PHE  10 -33.858 -10.945 -12.554
   79    HE2  PHE  10           HE1      PHE  10 -33.008  -6.891 -13.698
   80    HZ   PHE  10           HZ       PHE  10 -33.564  -9.228 -14.320
   81    H    TYR  11           HN       TYR  11 -35.250  -8.617  -6.298
   82    HA   TYR  11           HA       TYR  11 -34.515  -6.269  -4.695
   83    HB2  TYR  11           HB2      TYR  11 -36.280  -8.669  -4.201
   84    HB3  TYR  11           HB1      TYR  11 -35.914  -7.476  -2.970
   85    HD1  TYR  11           HD2      TYR  11 -36.720  -5.179  -3.138
   86    HD2  TYR  11           HD1      TYR  11 -37.698  -8.105  -6.129
   87    HE1  TYR  11           HE2      TYR  11 -38.517  -3.702  -3.996
   88    HE2  TYR  11           HE1      TYR  11 -39.502  -6.631  -6.978
   89    HH   TYR  11           HH       TYR  11 -40.638  -3.942  -5.259
   90    H    GLU  12           HN       GLU  12 -33.049  -6.300  -3.127
   91    HA   GLU  12           HA       GLU  12 -31.005  -8.218  -3.122
   92    HB2  GLU  12           HB2      GLU  12 -31.123  -5.749  -2.222
   93    HB3  GLU  12           HB1      GLU  12 -31.527  -6.523  -0.704
   94    HG2  GLU  12           HG2      GLU  12 -29.101  -7.289  -2.350
   95    HG3  GLU  12           HG1      GLU  12 -29.061  -6.063  -1.098
   96    H    ASP  13           HN       ASP  13 -33.650  -7.665  -0.801
   97    HA   ASP  13           HA       ASP  13 -33.075 -10.266   0.440
   98    HB2  ASP  13           HB2      ASP  13 -34.790  -7.918   1.262
   99    HB3  ASP  13           HB1      ASP  13 -34.814  -9.470   2.100
  100    H    LYS  14           HN       LYS  14 -35.340 -11.130   1.310
  101    HA   LYS  14           HA       LYS  14 -36.717 -11.998  -1.079
  102    HB2  LYS  14           HB2      LYS  14 -36.963 -12.759   1.827
  103    HB3  LYS  14           HB1      LYS  14 -37.964 -13.448   0.554
  104    HG2  LYS  14           HG2      LYS  14 -36.253 -15.018   0.571
  105    HG3  LYS  14           HG1      LYS  14 -35.589 -13.901  -0.607
  106    HD2  LYS  14           HD2      LYS  14 -33.772 -14.156   0.830
  107    HD3  LYS  14           HD1      LYS  14 -34.538 -12.740   1.530
  108    HE2  LYS  14           HE2      LYS  14 -35.686 -14.138   3.181
  109    HE3  LYS  14           HE1      LYS  14 -34.988 -15.586   2.458
  110    HZ1  LYS  14           HZ1      LYS  14 -33.831 -13.751   4.300
  111    HZ2  LYS  14           HZ2      LYS  14 -32.861 -13.926   2.917
  112    HZ3  LYS  14           HZ3      LYS  14 -33.294 -15.289   3.834
  113    H    ASN  15           HN       ASN  15 -39.206 -12.420  -0.519
  114    HA   ASN  15           HA       ASN  15 -41.244 -11.388  -0.690
  115    HB2  ASN  15           HB2      ASN  15 -40.406  -9.835   1.750
  116    HB3  ASN  15           HB1      ASN  15 -41.995 -10.466   1.333
  117   HD21  ASN  15          HD21      ASN  15 -40.493 -13.063   0.448
  118   HD22  ASN  15          HD22      ASN  15 -40.240 -13.865   1.925
  119    H    PHE  16           HN       PHE  16 -38.868  -9.988  -1.898
  120    HA   PHE  16           HA       PHE  16 -38.489  -8.102  -3.083
  121    HB2  PHE  16           HB2      PHE  16 -41.236  -7.064  -2.481
  122    HB3  PHE  16           HB1      PHE  16 -40.298  -6.947  -3.971
  123    HD1  PHE  16           HD2      PHE  16 -39.769  -9.141  -5.210
  124    HD2  PHE  16           HD1      PHE  16 -42.831  -8.781  -2.226
  125    HE1  PHE  16           HE2      PHE  16 -40.868 -11.181  -6.094
  126    HE2  PHE  16           HE1      PHE  16 -43.929 -10.824  -3.105
  127    HZ   PHE  16           HZ       PHE  16 -42.946 -12.019  -5.040
  128    H    GLN  17           HN       GLN  17 -37.685  -8.087  -0.410
  129    HA   GLN  17           HA       GLN  17 -38.270  -5.337   0.502
  130    HB2  GLN  17           HB2      GLN  17 -37.228  -7.763   1.964
  131    HB3  GLN  17           HB1      GLN  17 -37.293  -6.147   2.665
  132    HG2  GLN  17           HG2      GLN  17 -39.706  -6.060   2.349
  133    HG3  GLN  17           HG1      GLN  17 -39.683  -7.625   1.531
  134   HE21  GLN  17          HE21      GLN  17 -39.029  -9.527   2.862
  135   HE22  GLN  17          HE22      GLN  17 -39.254  -9.486   4.546
  136    H    GLY  18           HN       GLY  18 -36.356  -4.432   1.775
  137    HA2  GLY  18           HA2      GLY  18 -34.191  -3.658   1.826
  138    HA3  GLY  18           HA1      GLY  18 -33.718  -5.142   1.008
  139    H    ARG  19           HN       ARG  19 -32.276  -3.956  -0.190
  140    HA   ARG  19           HA       ARG  19 -32.833  -1.738  -1.844
  141    HB2  ARG  19           HB2      ARG  19 -30.551  -3.175  -1.388
  142    HB3  ARG  19           HB1      ARG  19 -30.941  -3.700  -3.015
  143    HG2  ARG  19           HG2      ARG  19 -29.671  -1.817  -3.483
  144    HG3  ARG  19           HG1      ARG  19 -31.292  -1.129  -3.483
  145    HD2  ARG  19           HD2      ARG  19 -29.875   0.292  -2.138
  146    HD3  ARG  19           HD1      ARG  19 -30.971  -0.566  -1.058
  147    HE   ARG  19           HE       ARG  19 -28.480  -1.953  -1.425
  148   HH11  ARG  19          HH21      ARG  19 -30.118   0.592   0.246
  149   HH12  ARG  19          HH22      ARG  19 -29.058   0.563   1.617
  150   HH21  ARG  19          HH11      ARG  19 -27.091  -2.008   0.360
  151   HH22  ARG  19          HH12      ARG  19 -27.339  -0.915   1.680
  152    H    ARG  20           HN       ARG  20 -32.740  -1.929  -4.403
  153    HA   ARG  20           HA       ARG  20 -33.900  -4.218  -5.574
  154    HB2  ARG  20           HB2      ARG  20 -36.120  -3.443  -6.040
  155    HB3  ARG  20           HB1      ARG  20 -35.877  -3.319  -4.299
  156    HG2  ARG  20           HG2      ARG  20 -36.583  -1.148  -4.535
  157    HG3  ARG  20           HG1      ARG  20 -34.970  -0.838  -5.169
  158    HD2  ARG  20           HD2      ARG  20 -35.950  -1.531  -7.463
  159    HD3  ARG  20           HD1      ARG  20 -37.523  -1.334  -6.699
  160    HE   ARG  20           HE       ARG  20 -35.687   0.787  -7.426
  161   HH11  ARG  20          HH21      ARG  20 -38.292  -0.231  -5.390
  162   HH12  ARG  20          HH22      ARG  20 -38.893   1.370  -5.117
  163   HH21  ARG  20          HH11      ARG  20 -36.462   2.897  -7.063
  164   HH22  ARG  20          HH12      ARG  20 -37.856   3.140  -6.062
  165    H    TYR  21           HN       TYR  21 -34.085  -3.970  -7.871
  166    HA   TYR  21           HA       TYR  21 -33.182  -1.384  -8.985
  167    HB2  TYR  21           HB2      TYR  21 -31.219  -2.962  -8.790
  168    HB3  TYR  21           HB1      TYR  21 -32.079  -4.067  -9.866
  169    HD1  TYR  21           HD1      TYR  21 -30.934  -0.514  -9.616
  170    HD2  TYR  21           HD2      TYR  21 -31.898  -3.800 -12.210
  171    HE1  TYR  21           HE1      TYR  21 -30.140   0.792 -11.566
  172    HE2  TYR  21           HE2      TYR  21 -31.102  -2.488 -14.160
  173    HH   TYR  21           HH       TYR  21 -29.519  -0.580 -14.571
  174    H    ASP  22           HN       ASP  22 -34.315  -0.828 -10.791
  175    HA   ASP  22           HA       ASP  22 -36.069  -2.899 -12.005
  176    HB2  ASP  22           HB2      ASP  22 -37.708  -1.121 -12.412
  177    HB3  ASP  22           HB1      ASP  22 -37.363  -1.276 -10.690
  178    H    CYS  23           HN       CYS  23 -36.084  -3.058 -14.204
  179    HA   CYS  23           HA       CYS  23 -34.908  -0.939 -15.838
  180    HB2  CYS  23           HB2      CYS  23 -33.723  -3.260 -16.912
  181    HB3  CYS  23           HB1      CYS  23 -32.894  -1.988 -16.022
  182    HG   CYS  23           HG       CYS  23 -32.766  -4.566 -14.972
  183    H    ASP  24           HN       ASP  24 -35.719  -0.880 -17.886
  184    HA   ASP  24           HA       ASP  24 -37.645  -2.980 -18.643
  185    HB2  ASP  24           HB2      ASP  24 -39.167  -1.367 -19.434
  186    HB3  ASP  24           HB1      ASP  24 -38.642  -0.767 -17.871
  187    H    CYS  25           HN       CYS  25 -34.720  -2.240 -19.326
  188    HA   CYS  25           HA       CYS  25 -35.002  -2.748 -22.197
  189    HB2  CYS  25           HB2      CYS  25 -34.907  -0.251 -21.914
  190    HB3  CYS  25           HB1      CYS  25 -33.310  -0.449 -21.194
  191    HG   CYS  25           HG       CYS  25 -32.334  -0.903 -23.439
  192    H    ASP  26           HN       ASP  26 -33.231  -3.795 -23.102
  193    HA   ASP  26           HA       ASP  26 -31.760  -5.580 -21.716
  194    HB2  ASP  26           HB2      ASP  26 -30.127  -5.568 -23.547
  195    HB3  ASP  26           HB1      ASP  26 -31.771  -5.447 -24.167
  196    H    CYS  27           HN       CYS  27 -29.549  -5.696 -20.982
  197    HA   CYS  27           HA       CYS  27 -28.089  -3.245 -20.483
  198    HB2  CYS  27           HB2      CYS  27 -29.661  -3.127 -18.640
  199    HB3  CYS  27           HB1      CYS  27 -29.319  -4.796 -18.192
  200    HG   CYS  27           HG       CYS  27 -27.651  -2.409 -17.391
  201    H    ALA  28           HN       ALA  28 -26.015  -3.695 -19.358
  202    HA   ALA  28           HA       ALA  28 -24.951  -6.281 -20.250
  203    HB1  ALA  28           HB1      ALA  28 -23.714  -4.289 -20.903
  204    HB2  ALA  28           HB2      ALA  28 -22.749  -5.239 -19.772
  205    HB3  ALA  28           HB3      ALA  28 -23.582  -3.786 -19.218
  206    H    ASP  29           HN       ASP  29 -24.726  -4.228 -17.346
  207    HA   ASP  29           HA       ASP  29 -24.974  -6.568 -15.618
  208    HB2  ASP  29           HB2      ASP  29 -22.570  -6.507 -16.128
  209    HB3  ASP  29           HB1      ASP  29 -22.496  -4.837 -15.567
  210    H    PHE  30           HN       PHE  30 -26.490  -5.927 -14.257
  211    HA   PHE  30           HA       PHE  30 -26.503  -3.141 -13.263
  212    HB2  PHE  30           HB2      PHE  30 -28.791  -3.314 -13.002
  213    HB3  PHE  30           HB1      PHE  30 -28.573  -4.482 -14.303
  214    HD1  PHE  30           HD2      PHE  30 -28.388  -6.937 -13.728
  215    HD2  PHE  30           HD1      PHE  30 -29.546  -3.985 -10.850
  216    HE1  PHE  30           HE2      PHE  30 -29.326  -8.720 -12.278
  217    HE2  PHE  30           HE1      PHE  30 -30.487  -5.755  -9.403
  218    HZ   PHE  30           HZ       PHE  30 -30.389  -8.127 -10.118
  219    H    HIS  31           HN       HIS  31 -25.022  -5.826 -12.432
  220    HA   HIS  31           HA       HIS  31 -25.793  -6.411  -9.794
  221    HB2  HIS  31           HB2      HIS  31 -24.281  -7.857 -11.074
  222    HB3  HIS  31           HB1      HIS  31 -23.039  -6.598 -11.027
  223    HD2  HIS  31           HD2      HIS  31 -21.593  -6.477  -8.626
  224    HE1  HIS  31           HE1      HIS  31 -23.847  -9.352  -6.507
  225    HE2  HIS  31           HE2      HIS  31 -21.770  -7.892  -6.438
  226    H    THR  32           HN       THR  32 -23.947  -3.836 -11.162
  227    HA   THR  32           HA       THR  32 -22.583  -2.957  -8.859
  228    HB   THR  32           HB       THR  32 -22.494  -0.745  -9.987
  229    HG1  THR  32           HG1      THR  32 -24.359  -2.043 -11.665
  230   HG21  THR  32          HG21      THR  32 -21.249  -1.503 -11.923
  231   HG22  THR  32          HG22      THR  32 -22.089  -3.054 -11.902
  232   HG23  THR  32          HG23      THR  32 -20.973  -2.639 -10.602
  233    H    TYR  33           HN       TYR  33 -25.898  -2.607  -9.876
  234    HA   TYR  33           HA       TYR  33 -26.504  -0.622  -7.819
  235    HB2  TYR  33           HB2      TYR  33 -28.287  -2.041  -9.801
  236    HB3  TYR  33           HB1      TYR  33 -28.783  -0.736  -8.730
  237    HD1  TYR  33           HD2      TYR  33 -27.367   1.469  -8.838
  238    HD2  TYR  33           HD1      TYR  33 -27.425  -1.512 -11.919
  239    HE1  TYR  33           HE2      TYR  33 -26.514   3.135 -10.467
  240    HE2  TYR  33           HE1      TYR  33 -26.568   0.146 -13.549
  241    HH   TYR  33           HH       TYR  33 -26.306   2.406 -13.896
  242    H    LEU  34           HN       LEU  34 -26.422  -4.008  -8.117
  243    HA   LEU  34           HA       LEU  34 -27.773  -4.284  -5.522
  244    HB2  LEU  34           HB2      LEU  34 -29.350  -4.771  -7.501
  245    HB3  LEU  34           HB1      LEU  34 -28.373  -6.206  -7.766
  246    HG   LEU  34           HG       LEU  34 -28.805  -6.866  -5.396
  247   HD11  LEU  34          HD11      LEU  34 -31.040  -5.547  -4.574
  248   HD12  LEU  34          HD12      LEU  34 -30.207  -4.241  -5.410
  249   HD13  LEU  34          HD13      LEU  34 -29.413  -5.090  -4.087
  250   HD21  LEU  34          HD21      LEU  34 -31.132  -6.433  -7.256
  251   HD22  LEU  34          HD22      LEU  34 -31.292  -7.352  -5.764
  252   HD23  LEU  34          HD23      LEU  34 -30.196  -7.910  -7.034
  253    H    SER  35           HN       SER  35 -26.860  -5.783  -4.183
  254    HA   SER  35           HA       SER  35 -24.398  -7.081  -5.176
  255    HB2  SER  35           HB2      SER  35 -24.438  -5.536  -3.118
  256    HB3  SER  35           HB1      SER  35 -25.248  -6.863  -2.293
  257    HG   SER  35           HG       SER  35 -22.657  -6.551  -2.780
  258    H    ARG  36           HN       ARG  36 -27.609  -7.817  -4.538
  259    HA   ARG  36           HA       ARG  36 -27.067 -10.657  -4.697
  260    HB2  ARG  36           HB2      ARG  36 -26.981  -9.963  -2.207
  261    HB3  ARG  36           HB1      ARG  36 -28.722  -9.736  -2.358
  262    HG2  ARG  36           HG2      ARG  36 -28.894 -12.084  -3.223
  263    HG3  ARG  36           HG1      ARG  36 -27.180 -12.290  -2.862
  264    HD2  ARG  36           HD2      ARG  36 -29.292 -11.500  -0.838
  265    HD3  ARG  36           HD1      ARG  36 -28.637 -13.123  -1.025
  266    HE   ARG  36           HE       ARG  36 -27.300 -10.839   0.183
  267   HH11  ARG  36          HH21      ARG  36 -27.027 -13.975  -1.254
  268   HH12  ARG  36          HH22      ARG  36 -25.504 -14.333  -0.513
  269   HH21  ARG  36          HH11      ARG  36 -25.302 -11.301   1.157
  270   HH22  ARG  36          HH12      ARG  36 -24.526 -12.820   0.851
  271    H    CYS  37           HN       CYS  37 -28.820 -11.837  -5.460
  272    HA   CYS  37           HA       CYS  37 -31.165 -10.214  -6.274
  273    HB2  CYS  37           HB2      CYS  37 -31.382 -11.986  -8.052
  274    HB3  CYS  37           HB1      CYS  37 -29.957 -10.949  -8.178
  275    HG   CYS  37           HG       CYS  37 -29.925 -13.936  -7.342
  276    H    ASN  38           HN       ASN  38 -32.660 -10.537  -4.791
  277    HA   ASN  38           HA       ASN  38 -33.552 -13.300  -4.266
  278    HB2  ASN  38           HB2      ASN  38 -33.438 -10.988  -2.325
  279    HB3  ASN  38           HB1      ASN  38 -34.232 -12.521  -2.008
  280   HD21  ASN  38          HD21      ASN  38 -32.236 -11.901  -0.246
  281   HD22  ASN  38          HD22      ASN  38 -30.837 -12.817  -0.563
  282    H    SER  39           HN       SER  39 -35.826 -13.418  -3.839
  283    HA   SER  39           HA       SER  39 -37.880 -13.105  -4.803
  284    HB2  SER  39           HB2      SER  39 -38.999 -11.098  -3.729
  285    HB3  SER  39           HB1      SER  39 -38.279 -12.272  -2.664
  286    HG   SER  39           HG       SER  39 -37.758  -9.720  -2.760
  287    H    ILE  40           HN       ILE  40 -38.784 -12.574  -6.590
  288    HA   ILE  40           HA       ILE  40 -38.101 -10.026  -7.944
  289    HB   ILE  40           HB       ILE  40 -37.675 -12.807  -9.007
  290   HG12  ILE  40          HG12      ILE  40 -35.879 -10.413  -9.386
  291   HG13  ILE  40          HG11      ILE  40 -35.847 -11.282  -7.860
  292   HG21  ILE  40          HG21      ILE  40 -38.887 -11.863 -10.801
  293   HG22  ILE  40          HG22      ILE  40 -37.207 -11.551 -11.232
  294   HG23  ILE  40          HG23      ILE  40 -38.195 -10.263 -10.543
  295   HD11  ILE  40          HD11      ILE  40 -35.139 -12.283 -10.609
  296   HD12  ILE  40          HD12      ILE  40 -35.529 -13.411  -9.311
  297   HD13  ILE  40          HD13      ILE  40 -34.164 -12.316  -9.146
  298    H    LYS  41           HN       LYS  41 -39.655  -9.214  -9.265
  299    HA   LYS  41           HA       LYS  41 -41.966 -10.831 -10.036
  300    HB2  LYS  41           HB2      LYS  41 -43.494  -8.963  -9.088
  301    HB3  LYS  41           HB1      LYS  41 -42.880 -10.200  -7.995
  302    HG2  LYS  41           HG2      LYS  41 -41.291  -8.777  -7.062
  303    HG3  LYS  41           HG1      LYS  41 -41.344  -7.656  -8.397
  304    HD2  LYS  41           HD2      LYS  41 -42.515  -6.912  -6.238
  305    HD3  LYS  41           HD1      LYS  41 -43.443  -6.770  -7.725
  306    HE2  LYS  41           HE2      LYS  41 -44.801  -8.599  -7.205
  307    HE3  LYS  41           HE1      LYS  41 -43.636  -9.288  -6.078
  308    HZ1  LYS  41           HZ1      LYS  41 -44.189  -7.771  -4.447
  309    HZ2  LYS  41           HZ2      LYS  41 -45.699  -8.064  -5.171
  310    HZ3  LYS  41           HZ3      LYS  41 -44.835  -6.651  -5.545
  311    H    VAL  42           HN       VAL  42 -41.746 -10.438 -12.196
  312    HA   VAL  42           HA       VAL  42 -40.946  -7.981 -13.254
  313    HB   VAL  42           HB       VAL  42 -42.235 -10.492 -14.290
  314   HG11  VAL  42          HG11      VAL  42 -43.295  -9.045 -15.763
  315   HG12  VAL  42          HG12      VAL  42 -41.801  -9.321 -16.616
  316   HG13  VAL  42          HG13      VAL  42 -42.033  -7.858 -15.710
  317   HG21  VAL  42          HG21      VAL  42 -40.145 -10.758 -15.448
  318   HG22  VAL  42          HG22      VAL  42 -39.760 -10.294 -13.794
  319   HG23  VAL  42          HG23      VAL  42 -39.665  -9.105 -15.085
  320    H    GLU  43           HN       GLU  43 -42.111  -6.425 -14.301
  321    HA   GLU  43           HA       GLU  43 -45.003  -6.283 -13.703
  322    HB2  GLU  43           HB2      GLU  43 -42.892  -4.122 -13.641
  323    HB3  GLU  43           HB1      GLU  43 -44.619  -3.795 -13.583
  324    HG2  GLU  43           HG2      GLU  43 -43.143  -5.564 -11.614
  325    HG3  GLU  43           HG1      GLU  43 -43.573  -3.881 -11.312
  326    H    GLY  44           HN       GLY  44 -44.297  -7.489 -16.013
  327    HA2  GLY  44           HA2      GLY  44 -45.422  -5.751 -18.000
  328    HA3  GLY  44           HA1      GLY  44 -43.700  -6.003 -18.260
  329    H    GLY  45           HN       GLY  45 -42.960  -7.975 -19.011
  330    HA2  GLY  45           HA2      GLY  45 -44.943 -10.115 -19.510
  331    HA3  GLY  45           HA1      GLY  45 -43.968  -9.491 -20.842
  332    H    THR  46           HN       THR  46 -42.690 -11.253 -21.296
  333    HA   THR  46           HA       THR  46 -41.446 -12.781 -19.181
  334    HB   THR  46           HB       THR  46 -41.209 -12.927 -22.195
  335    HG1  THR  46           HG1      THR  46 -43.135 -13.705 -21.729
  336   HG21  THR  46          HG21      THR  46 -39.203 -13.896 -21.385
  337   HG22  THR  46          HG22      THR  46 -40.301 -15.261 -21.576
  338   HG23  THR  46          HG23      THR  46 -40.010 -14.585 -19.976
  339    H    TRP  47           HN       TRP  47 -39.059 -13.249 -19.329
  340    HA   TRP  47           HA       TRP  47 -37.392 -11.103 -20.353
  341    HB2  TRP  47           HB2      TRP  47 -38.069 -11.429 -17.473
  342    HB3  TRP  47           HB1      TRP  47 -36.385 -11.084 -17.846
  343    HD1  TRP  47           HD1      TRP  47 -39.678  -9.487 -17.449
  344    HE1  TRP  47           HE1      TRP  47 -39.505  -6.978 -18.006
  345    HE3  TRP  47           HE3      TRP  47 -35.126  -9.391 -19.743
  346    HZ2  TRP  47           HZ2      TRP  47 -37.730  -5.190 -19.339
  347    HZ3  TRP  47           HZ3      TRP  47 -34.225  -7.267 -20.651
  348    HH2  TRP  47           HH2      TRP  47 -35.516  -5.165 -20.447
  349    H    ALA  48           HN       ALA  48 -35.201 -11.557 -20.249
  350    HA   ALA  48           HA       ALA  48 -34.516 -14.400 -19.790
  351    HB1  ALA  48           HB1      ALA  48 -32.627 -13.829 -21.463
  352    HB2  ALA  48           HB2      ALA  48 -33.608 -12.424 -21.879
  353    HB3  ALA  48           HB3      ALA  48 -34.249 -14.046 -22.112
  354    H    VAL  49           HN       VAL  49 -33.179 -14.650 -18.117
  355    HA   VAL  49           HA       VAL  49 -31.455 -12.361 -17.314
  356    HB   VAL  49           HB       VAL  49 -31.606 -13.440 -15.012
  357   HG11  VAL  49          HG11      VAL  49 -34.221 -12.446 -16.175
  358   HG12  VAL  49          HG12      VAL  49 -32.877 -11.388 -15.742
  359   HG13  VAL  49          HG13      VAL  49 -33.697 -12.329 -14.496
  360   HG21  VAL  49          HG21      VAL  49 -32.548 -15.603 -16.009
  361   HG22  VAL  49          HG22      VAL  49 -34.080 -14.749 -16.131
  362   HG23  VAL  49          HG23      VAL  49 -33.334 -15.000 -14.552
  363    H    TYR  50           HN       TYR  50 -29.326 -12.689 -17.221
  364    HA   TYR  50           HA       TYR  50 -28.309 -15.413 -17.728
  365    HB2  TYR  50           HB2      TYR  50 -27.008 -12.689 -17.990
  366    HB3  TYR  50           HB1      TYR  50 -26.193 -14.221 -18.303
  367    HD1  TYR  50           HD1      TYR  50 -28.947 -11.992 -19.397
  368    HD2  TYR  50           HD2      TYR  50 -26.604 -15.473 -20.313
  369    HE1  TYR  50           HE1      TYR  50 -29.883 -12.016 -21.690
  370    HE2  TYR  50           HE2      TYR  50 -27.541 -15.498 -22.611
  371    HH   TYR  50           HH       TYR  50 -28.786 -13.158 -24.111
  372    H    GLU  51           HN       GLU  51 -27.930 -16.474 -15.880
  373    HA   GLU  51           HA       GLU  51 -27.669 -15.781 -13.334
  374    HB2  GLU  51           HB2      GLU  51 -27.318 -18.074 -14.265
  375    HB3  GLU  51           HB1      GLU  51 -25.658 -17.613 -14.647
  376    HG2  GLU  51           HG2      GLU  51 -25.286 -17.096 -12.236
  377    HG3  GLU  51           HG1      GLU  51 -26.920 -17.658 -11.886
  378    H    ARG  52           HN       ARG  52 -25.116 -15.262 -15.728
  379    HA   ARG  52           HA       ARG  52 -23.602 -13.685 -13.730
  380    HB2  ARG  52           HB2      ARG  52 -22.526 -15.111 -16.168
  381    HB3  ARG  52           HB1      ARG  52 -21.583 -14.307 -14.925
  382    HG2  ARG  52           HG2      ARG  52 -22.446 -15.903 -13.239
  383    HG3  ARG  52           HG1      ARG  52 -23.365 -16.721 -14.501
  384    HD2  ARG  52           HD2      ARG  52 -20.354 -16.469 -14.312
  385    HD3  ARG  52           HD1      ARG  52 -21.305 -17.943 -14.169
  386    HE   ARG  52           HE       ARG  52 -21.792 -16.702 -16.683
  387   HH11  ARG  52          HH21      ARG  52 -19.433 -18.462 -14.869
  388   HH12  ARG  52          HH22      ARG  52 -18.692 -19.181 -16.259
  389   HH21  ARG  52          HH11      ARG  52 -20.827 -17.641 -18.518
  390   HH22  ARG  52          HH12      ARG  52 -19.484 -18.716 -18.328
  391    HA   PRO  53           HA       PRO  53 -24.214 -10.183 -16.414
  392    HB2  PRO  53           HB2      PRO  53 -21.945  -8.726 -15.844
  393    HB3  PRO  53           HB1      PRO  53 -23.322  -8.827 -14.746
  394    HG2  PRO  53           HG2      PRO  53 -20.754 -10.337 -14.689
  395    HG3  PRO  53           HG1      PRO  53 -21.667  -9.618 -13.347
  396    HD2  PRO  53           HD2      PRO  53 -21.756 -12.273 -13.878
  397    HD3  PRO  53           HD1      PRO  53 -23.165 -11.405 -13.235
  398    H    ASN  54           HN       ASN  54 -23.275  -9.037 -18.243
  399    HA   ASN  54           HA       ASN  54 -21.949  -8.786 -20.109
  400    HB2  ASN  54           HB2      ASN  54 -20.310 -11.207 -19.403
  401    HB3  ASN  54           HB1      ASN  54 -19.839  -9.767 -20.288
  402   HD21  ASN  54          HD21      ASN  54 -20.536  -7.674 -18.633
  403   HD22  ASN  54          HD22      ASN  54 -19.752  -7.808 -17.135
  404    H    PHE  55           HN       PHE  55 -23.866 -11.340 -19.244
  405    HA   PHE  55           HA       PHE  55 -25.265 -12.611 -20.553
  406    HB2  PHE  55           HB2      PHE  55 -23.597 -12.020 -22.997
  407    HB3  PHE  55           HB1      PHE  55 -25.274 -12.523 -22.904
  408    HD1  PHE  55           HD2      PHE  55 -26.733 -10.919 -21.247
  409    HD2  PHE  55           HD1      PHE  55 -23.275  -9.750 -23.516
  410    HE1  PHE  55           HE2      PHE  55 -27.480  -8.556 -21.170
  411    HE2  PHE  55           HE1      PHE  55 -24.024  -7.385 -23.435
  412    HZ   PHE  55           HZ       PHE  55 -26.133  -6.792 -22.266
  413    H    ALA  56           HN       ALA  56 -23.608 -13.864 -19.038
  414    HA   ALA  56           HA       ALA  56 -22.752 -16.181 -20.638
  415    HB1  ALA  56           HB1      ALA  56 -20.578 -16.297 -19.702
  416    HB2  ALA  56           HB2      ALA  56 -20.944 -15.069 -18.490
  417    HB3  ALA  56           HB3      ALA  56 -20.767 -14.611 -20.184
  418    H    GLY  57           HN       GLY  57 -22.150 -18.039 -19.079
  419    HA2  GLY  57           HA2      GLY  57 -22.537 -19.245 -17.104
  420    HA3  GLY  57           HA1      GLY  57 -23.472 -17.895 -16.480
  421    H    TYR  58           HN       TYR  58 -24.992 -19.561 -15.847
  422    HA   TYR  58           HA       TYR  58 -26.374 -21.183 -17.698
  423    HB2  TYR  58           HB2      TYR  58 -26.961 -20.173 -14.935
  424    HB3  TYR  58           HB1      TYR  58 -28.174 -21.078 -15.823
  425    HD1  TYR  58           HD1      TYR  58 -24.504 -21.685 -16.124
  426    HD2  TYR  58           HD2      TYR  58 -28.208 -22.968 -14.392
  427    HE1  TYR  58           HE1      TYR  58 -23.444 -23.816 -15.457
  428    HE2  TYR  58           HE2      TYR  58 -27.147 -25.112 -13.723
  429    HH   TYR  58           HH       TYR  58 -24.205 -26.170 -14.944
  430    H    MET  59           HN       MET  59 -28.949 -20.826 -17.731
  431    HA   MET  59           HA       MET  59 -29.607 -18.025 -18.340
  432    HB2  MET  59           HB2      MET  59 -29.782 -20.290 -20.341
  433    HB3  MET  59           HB1      MET  59 -30.549 -18.717 -20.555
  434    HG2  MET  59           HG2      MET  59 -28.302 -17.638 -20.316
  435    HG3  MET  59           HG1      MET  59 -27.577 -19.243 -20.250
  436    HE1  MET  59           HE1      MET  59 -26.677 -20.412 -22.561
  437    HE2  MET  59           HE2      MET  59 -28.064 -20.838 -23.560
  438    HE3  MET  59           HE3      MET  59 -28.150 -21.041 -21.813
  439    H    TYR  60           HN       TYR  60 -31.547 -17.555 -17.574
  440    HA   TYR  60           HA       TYR  60 -33.612 -19.673 -17.423
  441    HB2  TYR  60           HB2      TYR  60 -33.415 -17.586 -15.260
  442    HB3  TYR  60           HB1      TYR  60 -34.172 -19.172 -15.212
  443    HD1  TYR  60           HD2      TYR  60 -32.418 -21.168 -15.806
  444    HD2  TYR  60           HD1      TYR  60 -31.422 -17.369 -14.061
  445    HE1  TYR  60           HE2      TYR  60 -30.348 -22.143 -14.854
  446    HE2  TYR  60           HE1      TYR  60 -29.351 -18.347 -13.112
  447    HH   TYR  60           HH       TYR  60 -28.498 -20.572 -12.475
  448    H    ILE  61           HN       ILE  61 -35.568 -19.028 -18.135
  449    HA   ILE  61           HA       ILE  61 -35.847 -16.220 -19.030
  450    HB   ILE  61           HB       ILE  61 -37.374 -18.739 -19.747
  451   HG12  ILE  61          HG12      ILE  61 -36.337 -18.270 -22.005
  452   HG13  ILE  61          HG11      ILE  61 -35.367 -17.018 -21.230
  453   HG21  ILE  61          HG21      ILE  61 -37.739 -15.846 -20.515
  454   HG22  ILE  61          HG22      ILE  61 -38.942 -16.987 -19.915
  455   HG23  ILE  61          HG23      ILE  61 -38.307 -17.158 -21.551
  456   HD11  ILE  61          HD11      ILE  61 -35.311 -19.728 -19.965
  457   HD12  ILE  61          HD12      ILE  61 -34.028 -18.536 -20.143
  458   HD13  ILE  61          HD13      ILE  61 -34.484 -19.545 -21.510
  459    H    LEU  62           HN       LEU  62 -36.409 -15.324 -16.977
  460    HA   LEU  62           HA       LEU  62 -38.437 -16.425 -15.335
  461    HB2  LEU  62           HB2      LEU  62 -36.572 -14.254 -15.240
  462    HB3  LEU  62           HB1      LEU  62 -38.160 -13.582 -14.894
  463    HG   LEU  62           HG       LEU  62 -37.192 -16.088 -13.480
  464   HD11  LEU  62          HD11      LEU  62 -36.647 -13.201 -12.771
  465   HD12  LEU  62          HD12      LEU  62 -35.471 -14.495 -12.985
  466   HD13  LEU  62          HD13      LEU  62 -36.563 -14.514 -11.598
  467   HD21  LEU  62          HD21      LEU  62 -39.018 -13.905 -12.465
  468   HD22  LEU  62          HD22      LEU  62 -38.911 -15.585 -11.943
  469   HD23  LEU  62          HD23      LEU  62 -39.634 -15.193 -13.499
  470    HA   PRO  63           HA       PRO  63 -41.667 -14.764 -18.071
  471    HB2  PRO  63           HB2      PRO  63 -43.721 -16.331 -17.307
  472    HB3  PRO  63           HB1      PRO  63 -42.386 -16.952 -18.297
  473    HG2  PRO  63           HG2      PRO  63 -42.894 -17.291 -15.380
  474    HG3  PRO  63           HG1      PRO  63 -42.246 -18.451 -16.552
  475    HD2  PRO  63           HD2      PRO  63 -40.693 -16.925 -14.781
  476    HD3  PRO  63           HD1      PRO  63 -40.093 -17.724 -16.236
  477    H    GLN  64           HN       GLN  64 -43.714 -13.607 -17.789
  478    HA   GLN  64           HA       GLN  64 -43.740 -11.753 -15.721
  479    HB2  GLN  64           HB2      GLN  64 -45.079 -11.897 -18.000
  480    HB3  GLN  64           HB1      GLN  64 -46.337 -12.601 -16.984
  481    HG2  GLN  64           HG2      GLN  64 -45.079  -9.867 -16.750
  482    HG3  GLN  64           HG1      GLN  64 -46.766 -10.256 -17.026
  483   HE21  GLN  64          HE21      GLN  64 -44.476  -9.557 -14.558
  484   HE22  GLN  64          HE22      GLN  64 -45.443  -9.995 -13.237
  485    H    GLY  65           HN       GLY  65 -44.032 -12.059 -13.599
  486    HA2  GLY  65           HA2      GLY  65 -46.286 -13.125 -12.403
  487    HA3  GLY  65           HA1      GLY  65 -45.136 -14.451 -12.508
  488    H    GLU  66           HN       GLU  66 -45.710 -13.955 -10.037
  489    HA   GLU  66           HA       GLU  66 -43.787 -12.011  -8.956
  490    HB2  GLU  66           HB2      GLU  66 -46.105 -13.466  -7.678
  491    HB3  GLU  66           HB1      GLU  66 -44.987 -12.407  -6.813
  492    HG2  GLU  66           HG2      GLU  66 -45.584 -10.535  -8.268
  493    HG3  GLU  66           HG1      GLU  66 -46.645 -11.578  -9.207
  494    H    TYR  67           HN       TYR  67 -42.360 -12.625  -7.291
  495    HA   TYR  67           HA       TYR  67 -41.956 -15.473  -6.803
  496    HB2  TYR  67           HB2      TYR  67 -39.693 -13.782  -7.891
  497    HB3  TYR  67           HB1      TYR  67 -39.621 -15.442  -7.436
  498    HD1  TYR  67           HD1      TYR  67 -41.497 -13.184  -9.805
  499    HD2  TYR  67           HD2      TYR  67 -40.039 -17.139  -9.022
  500    HE1  TYR  67           HE1      TYR  67 -42.247 -13.892 -12.029
  501    HE2  TYR  67           HE2      TYR  67 -40.810 -17.855 -11.257
  502    HH   TYR  67           HH       TYR  67 -42.398 -15.556 -13.473
  503    HA   PRO  68           HA       PRO  68 -41.608 -12.812  -3.017
  504    HB2  PRO  68           HB2      PRO  68 -42.273 -15.442  -1.787
  505    HB3  PRO  68           HB1      PRO  68 -42.982 -13.841  -1.492
  506    HG2  PRO  68           HG2      PRO  68 -44.289 -15.716  -2.878
  507    HG3  PRO  68           HG1      PRO  68 -44.409 -13.997  -3.301
  508    HD2  PRO  68           HD2      PRO  68 -42.842 -16.167  -4.661
  509    HD3  PRO  68           HD1      PRO  68 -43.691 -14.775  -5.373
  510    H    GLU  69           HN       GLU  69 -40.009 -15.694  -4.055
  511    HA   GLU  69           HA       GLU  69 -37.688 -14.983  -2.429
  512    HB2  GLU  69           HB2      GLU  69 -39.046 -17.692  -2.287
  513    HB3  GLU  69           HB1      GLU  69 -37.417 -17.360  -1.693
  514    HG2  GLU  69           HG2      GLU  69 -38.330 -15.646  -0.167
  515    HG3  GLU  69           HG1      GLU  69 -39.952 -15.985  -0.748
  516    H    TYR  70           HN       TYR  70 -35.781 -16.179  -3.147
  517    HA   TYR  70           HA       TYR  70 -35.594 -16.237  -5.955
  518    HB2  TYR  70           HB2      TYR  70 -33.334 -17.224  -5.552
  519    HB3  TYR  70           HB1      TYR  70 -33.631 -15.762  -4.619
  520    HD1  TYR  70           HD2      TYR  70 -34.471 -16.045  -2.170
  521    HD2  TYR  70           HD1      TYR  70 -32.729 -19.224  -4.483
  522    HE1  TYR  70           HE2      TYR  70 -34.045 -17.320  -0.098
  523    HE2  TYR  70           HE1      TYR  70 -32.281 -20.490  -2.404
  524    HH   TYR  70           HH       TYR  70 -33.748 -19.901   0.450
  525    H    GLN  71           HN       GLN  71 -35.663 -18.901  -3.567
  526    HA   GLN  71           HA       GLN  71 -35.394 -21.116  -5.123
  527    HB2  GLN  71           HB2      GLN  71 -37.455 -20.833  -2.946
  528    HB3  GLN  71           HB1      GLN  71 -36.721 -22.336  -3.521
  529    HG2  GLN  71           HG2      GLN  71 -34.483 -21.443  -2.858
  530    HG3  GLN  71           HG1      GLN  71 -35.298 -20.036  -2.161
  531   HE21  GLN  71          HE21      GLN  71 -37.632 -21.854  -1.356
  532   HE22  GLN  71          HE22      GLN  71 -37.069 -22.652   0.041
  533    H    ARG  72           HN       ARG  72 -37.770 -18.815  -5.538
  534    HA   ARG  72           HA       ARG  72 -39.863 -20.498  -6.542
  535    HB2  ARG  72           HB2      ARG  72 -39.323 -17.561  -6.895
  536    HB3  ARG  72           HB1      ARG  72 -40.850 -18.357  -7.243
  537    HG2  ARG  72           HG2      ARG  72 -39.550 -18.385  -4.508
  538    HG3  ARG  72           HG1      ARG  72 -40.711 -17.153  -5.001
  539    HD2  ARG  72           HD2      ARG  72 -42.296 -19.064  -5.577
  540    HD3  ARG  72           HD1      ARG  72 -41.174 -20.128  -4.739
  541    HE   ARG  72           HE       ARG  72 -41.748 -18.015  -3.008
  542   HH11  ARG  72          HH21      ARG  72 -43.302 -20.610  -4.661
  543   HH12  ARG  72          HH22      ARG  72 -44.518 -20.850  -3.450
  544   HH21  ARG  72          HH11      ARG  72 -43.335 -18.311  -1.397
  545   HH22  ARG  72          HH12      ARG  72 -44.536 -19.544  -1.596
  546    H    TRP  73           HN       TRP  73 -36.841 -19.699  -7.776
  547    HA   TRP  73           HA       TRP  73 -37.772 -19.965 -10.593
  548    HB2  TRP  73           HB2      TRP  73 -35.703 -18.788 -11.249
  549    HB3  TRP  73           HB1      TRP  73 -36.728 -17.800 -10.215
  550    HD1  TRP  73           HD1      TRP  73 -34.922 -20.341  -8.197
  551    HE1  TRP  73           HE1      TRP  73 -32.968 -19.288  -6.962
  552    HE3  TRP  73           HE3      TRP  73 -34.715 -15.911 -10.648
  553    HZ2  TRP  73           HZ2      TRP  73 -31.508 -16.848  -6.993
  554    HZ3  TRP  73           HZ3      TRP  73 -33.011 -14.237 -10.034
  555    HH2  TRP  73           HH2      TRP  73 -31.403 -14.696  -8.218
  556    H    MET  74           HN       MET  74 -37.145 -22.061  -8.587
  557    HA   MET  74           HA       MET  74 -36.403 -24.229  -8.844
  558    HB2  MET  74           HB2      MET  74 -34.478 -23.262 -10.980
  559    HB3  MET  74           HB1      MET  74 -34.784 -24.915 -10.515
  560    HG2  MET  74           HG2      MET  74 -36.972 -23.102 -11.547
  561    HG3  MET  74           HG1      MET  74 -36.023 -24.162 -12.588
  562    HE1  MET  74           HE1      MET  74 -39.449 -24.194 -11.694
  563    HE2  MET  74           HE2      MET  74 -39.481 -25.828 -12.355
  564    HE3  MET  74           HE3      MET  74 -38.499 -24.588 -13.132
  565    H    GLY  75           HN       GLY  75 -35.277 -21.873  -7.315
  566    HA2  GLY  75           HA2      GLY  75 -33.376 -21.340  -6.035
  567    HA3  GLY  75           HA1      GLY  75 -33.700 -22.982  -5.477
  568    H    LEU  76           HN       LEU  76 -32.201 -21.413  -8.321
  569    HA   LEU  76           HA       LEU  76 -30.236 -23.537  -8.541
  570    HB2  LEU  76           HB2      LEU  76 -30.516 -20.872  -9.966
  571    HB3  LEU  76           HB1      LEU  76 -29.389 -22.150 -10.421
  572    HG   LEU  76           HG       LEU  76 -32.225 -23.051 -10.107
  573   HD11  LEU  76          HD11      LEU  76 -32.851 -21.047 -11.165
  574   HD12  LEU  76          HD12      LEU  76 -32.714 -22.203 -12.490
  575   HD13  LEU  76          HD13      LEU  76 -31.428 -21.041 -12.192
  576   HD21  LEU  76          HD21      LEU  76 -30.136 -23.415 -12.280
  577   HD22  LEU  76          HD22      LEU  76 -31.670 -24.281 -12.180
  578   HD23  LEU  76          HD23      LEU  76 -30.435 -24.525 -10.945
  579    H    ASN  77           HN       ASN  77 -29.854 -19.997  -8.288
  580    HA   ASN  77           HA       ASN  77 -28.103 -20.223  -6.004
  581    HB2  ASN  77           HB2      ASN  77 -26.609 -20.795  -7.920
  582    HB3  ASN  77           HB1      ASN  77 -27.008 -19.234  -8.641
  583   HD21  ASN  77          HD21      ASN  77 -24.865 -18.358  -8.433
  584   HD22  ASN  77          HD22      ASN  77 -24.183 -17.991  -6.917
  585    H    ASP  78           HN       ASP  78 -27.358 -18.026  -5.349
  586    HA   ASP  78           HA       ASP  78 -29.486 -16.064  -5.857
  587    HB2  ASP  78           HB2      ASP  78 -28.527 -14.865  -3.962
  588    HB3  ASP  78           HB1      ASP  78 -28.826 -16.544  -3.532
  589    H    ARG  79           HN       ARG  79 -28.233 -16.175  -8.129
  590    HA   ARG  79           HA       ARG  79 -26.531 -13.764  -8.196
  591    HB2  ARG  79           HB2      ARG  79 -25.148 -15.901  -8.323
  592    HB3  ARG  79           HB1      ARG  79 -25.945 -16.216  -9.858
  593    HG2  ARG  79           HG2      ARG  79 -24.075 -15.055 -10.615
  594    HG3  ARG  79           HG1      ARG  79 -25.193 -13.713 -10.392
  595    HD2  ARG  79           HD2      ARG  79 -23.014 -13.206  -9.383
  596    HD3  ARG  79           HD1      ARG  79 -24.254 -13.312  -8.139
  597    HE   ARG  79           HE       ARG  79 -22.915 -15.819  -8.577
  598   HH11  ARG  79          HH21      ARG  79 -22.748 -12.729  -7.023
  599   HH12  ARG  79          HH22      ARG  79 -21.712 -13.276  -5.747
  600   HH21  ARG  79          HH11      ARG  79 -21.562 -16.539  -6.910
  601   HH22  ARG  79          HH12      ARG  79 -21.043 -15.434  -5.682
  602    H    LEU  80           HN       LEU  80 -27.595 -12.330  -9.426
  603    HA   LEU  80           HA       LEU  80 -28.692 -13.253 -11.996
  604    HB2  LEU  80           HB2      LEU  80 -30.421 -12.983  -9.951
  605    HB3  LEU  80           HB1      LEU  80 -30.315 -11.287 -10.410
  606    HG   LEU  80           HG       LEU  80 -32.164 -12.281 -11.596
  607   HD11  LEU  80          HD11      LEU  80 -31.638 -11.529 -13.745
  608   HD12  LEU  80          HD12      LEU  80 -29.991 -12.142 -13.670
  609   HD13  LEU  80          HD13      LEU  80 -30.444 -10.709 -12.753
  610   HD21  LEU  80          HD21      LEU  80 -30.858 -14.654 -11.490
  611   HD22  LEU  80          HD22      LEU  80 -30.445 -14.194 -13.138
  612   HD23  LEU  80          HD23      LEU  80 -32.133 -14.328 -12.659
  613    H    SER  81           HN       SER  81 -28.080 -11.986 -13.579
  614    HA   SER  81           HA       SER  81 -26.967  -9.312 -12.928
  615    HB2  SER  81           HB2      SER  81 -25.358  -9.647 -14.508
  616    HB3  SER  81           HB1      SER  81 -25.608 -11.309 -14.016
  617    HG   SER  81           HG       SER  81 -26.219 -10.033 -16.380
  618    H    SER  82           HN       SER  82 -26.830  -8.355 -15.579
  619    HA   SER  82           HA       SER  82 -29.155  -6.989 -15.911
  620    HB2  SER  82           HB2      SER  82 -27.124  -7.931 -17.919
  621    HB3  SER  82           HB1      SER  82 -28.513  -6.969 -18.413
  622    HG   SER  82           HG       SER  82 -27.777  -5.571 -16.549
  623    H    CYS  83           HN       CYS  83 -30.516  -7.237 -18.083
  624    HA   CYS  83           HA       CYS  83 -31.379 -10.004 -18.481
  625    HB2  CYS  83           HB2      CYS  83 -33.647  -9.591 -17.830
  626    HB3  CYS  83           HB1      CYS  83 -32.629  -9.030 -16.500
  627    HG   CYS  83           HG       CYS  83 -33.035  -6.583 -17.224
  628    H    ARG  84           HN       ARG  84 -32.467 -10.316 -20.430
  629    HA   ARG  84           HA       ARG  84 -32.582  -7.968 -22.237
  630    HB2  ARG  84           HB2      ARG  84 -32.110 -10.892 -22.859
  631    HB3  ARG  84           HB1      ARG  84 -32.334  -9.631 -24.074
  632    HG2  ARG  84           HG2      ARG  84 -30.393  -8.409 -23.167
  633    HG3  ARG  84           HG1      ARG  84 -30.160  -9.672 -21.958
  634    HD2  ARG  84           HD2      ARG  84 -28.643 -10.188 -23.720
  635    HD3  ARG  84           HD1      ARG  84 -29.988 -11.311 -23.909
  636    HE   ARG  84           HE       ARG  84 -30.482  -8.980 -25.440
  637   HH11  ARG  84          HH21      ARG  84 -28.455 -11.779 -25.281
  638   HH12  ARG  84          HH22      ARG  84 -28.208 -11.868 -26.993
  639   HH21  ARG  84          HH11      ARG  84 -30.164  -9.088 -27.685
  640   HH22  ARG  84          HH12      ARG  84 -29.176 -10.343 -28.356
  641    H    ALA  85           HN       ALA  85 -34.540  -7.388 -22.906
  642    HA   ALA  85           HA       ALA  85 -36.902  -8.650 -22.033
  643    HB1  ALA  85           HB1      ALA  85 -36.401  -6.639 -24.233
  644    HB2  ALA  85           HB2      ALA  85 -36.972  -6.320 -22.596
  645    HB3  ALA  85           HB3      ALA  85 -38.014  -7.158 -23.746
  646    H    VAL  86           HN       VAL  86 -37.962 -10.384 -22.773
  647    HA   VAL  86           HA       VAL  86 -37.460 -11.253 -25.581
  648    HB   VAL  86           HB       VAL  86 -37.652 -12.950 -23.077
  649   HG11  VAL  86          HG11      VAL  86 -38.884 -14.107 -24.795
  650   HG12  VAL  86          HG12      VAL  86 -37.281 -14.839 -24.744
  651   HG13  VAL  86          HG13      VAL  86 -37.682 -13.682 -26.010
  652   HG21  VAL  86          HG21      VAL  86 -35.476 -12.313 -25.085
  653   HG22  VAL  86          HG22      VAL  86 -35.408 -13.761 -24.089
  654   HG23  VAL  86          HG23      VAL  86 -35.424 -12.172 -23.332
  655    H    HIS  87           HN       HIS  87 -39.218 -11.614 -26.782
  656    HA   HIS  87           HA       HIS  87 -41.854 -11.694 -25.413
  657    HB2  HIS  87           HB2      HIS  87 -41.301 -10.761 -28.232
  658    HB3  HIS  87           HB1      HIS  87 -42.813 -10.634 -27.333
  659    HD2  HIS  87           HD2      HIS  87 -42.660  -8.776 -25.067
  660    HE1  HIS  87           HE1      HIS  87 -39.259  -6.786 -26.581
  661    HE2  HIS  87           HE2      HIS  87 -41.122  -6.676 -24.859
  662    H    LEU  88           HN       LEU  88 -42.845 -13.566 -25.530
  663    HA   LEU  88           HA       LEU  88 -41.988 -15.850 -26.714
  664    HB2  LEU  88           HB2      LEU  88 -44.912 -15.785 -26.753
  665    HB3  LEU  88           HB1      LEU  88 -43.837 -16.719 -25.718
  666    HG   LEU  88           HG       LEU  88 -45.232 -15.259 -24.355
  667   HD11  LEU  88          HD11      LEU  88 -42.344 -15.204 -24.325
  668   HD12  LEU  88          HD12      LEU  88 -43.469 -15.144 -22.984
  669   HD13  LEU  88          HD13      LEU  88 -42.959 -13.654 -23.758
  670   HD21  LEU  88          HD21      LEU  88 -45.875 -13.231 -25.097
  671   HD22  LEU  88          HD22      LEU  88 -44.766 -13.326 -26.454
  672   HD23  LEU  88          HD23      LEU  88 -44.231 -12.637 -24.921
  673    HA   PRO  89           HA       PRO  89 -42.884 -15.578 -31.036
  674    HB2  PRO  89           HB2      PRO  89 -43.486 -18.124 -31.725
  675    HB3  PRO  89           HB1      PRO  89 -41.864 -17.664 -31.170
  676    HG2  PRO  89           HG2      PRO  89 -44.075 -18.993 -29.664
  677    HG3  PRO  89           HG1      PRO  89 -42.332 -19.337 -29.647
  678    HD2  PRO  89           HD2      PRO  89 -43.616 -17.832 -27.709
  679    HD3  PRO  89           HD1      PRO  89 -41.895 -17.674 -28.102
  680    H    SER  90           HN       SER  90 -44.525 -15.812 -32.717
  681    HA   SER  90           HA       SER  90 -47.206 -16.538 -32.032
  682    HB2  SER  90           HB2      SER  90 -47.019 -14.326 -30.905
  683    HB3  SER  90           HB1      SER  90 -46.635 -13.601 -32.463
  684    HG   SER  90           HG       SER  90 -48.793 -15.092 -32.785
  685    H    GLY  91           HN       GLY  91 -44.854 -15.202 -34.200
  686    HA2  GLY  91           HA2      GLY  91 -46.560 -14.992 -36.478
  687    HA3  GLY  91           HA1      GLY  91 -44.795 -14.981 -36.496
  688    H    GLY  92           HN       GLY  92 -43.872 -17.276 -35.847
  689    HA2  GLY  92           HA2      GLY  92 -44.929 -19.128 -37.828
  690    HA3  GLY  92           HA1      GLY  92 -43.438 -19.312 -36.908
  691    H    GLN  93           HN       GLN  93 -46.750 -18.779 -35.780
  692    HA   GLN  93           HA       GLN  93 -47.816 -19.820 -33.981
  693    HB2  GLN  93           HB2      GLN  93 -48.362 -22.261 -34.687
  694    HB3  GLN  93           HB1      GLN  93 -48.920 -20.944 -35.716
  695    HG2  GLN  93           HG2      GLN  93 -47.042 -21.261 -37.222
  696    HG3  GLN  93           HG1      GLN  93 -46.343 -22.474 -36.166
  697   HE21  GLN  93          HE21      GLN  93 -48.074 -24.351 -35.651
  698   HE22  GLN  93          HE22      GLN  93 -48.899 -24.923 -37.029
  699    H    TYR  94           HN       TYR  94 -46.657 -22.961 -34.491
  700    HA   TYR  94           HA       TYR  94 -44.431 -22.804 -32.650
  701    HB2  TYR  94           HB2      TYR  94 -46.565 -22.747 -31.254
  702    HB3  TYR  94           HB1      TYR  94 -46.815 -24.413 -31.769
  703    HD1  TYR  94           HD1      TYR  94 -44.329 -22.140 -30.171
  704    HD2  TYR  94           HD2      TYR  94 -45.660 -26.176 -30.717
  705    HE1  TYR  94           HE1      TYR  94 -42.717 -22.902 -28.452
  706    HE2  TYR  94           HE2      TYR  94 -44.050 -26.948 -29.007
  707    HH   TYR  94           HH       TYR  94 -41.909 -24.631 -27.337
  708    H    LYS  95           HN       LYS  95 -43.005 -24.089 -33.650
  709    HA   LYS  95           HA       LYS  95 -43.767 -26.840 -34.254
  710    HB2  LYS  95           HB2      LYS  95 -44.376 -25.538 -36.289
  711    HB3  LYS  95           HB1      LYS  95 -42.697 -25.034 -36.428
  712    HG2  LYS  95           HG2      LYS  95 -43.053 -26.931 -37.888
  713    HG3  LYS  95           HG1      LYS  95 -42.031 -27.444 -36.548
  714    HD2  LYS  95           HD2      LYS  95 -43.700 -28.723 -35.557
  715    HD3  LYS  95           HD1      LYS  95 -45.007 -27.779 -36.283
  716    HE2  LYS  95           HE2      LYS  95 -44.820 -30.005 -37.317
  717    HE3  LYS  95           HE1      LYS  95 -44.490 -28.727 -38.480
  718    HZ1  LYS  95           HZ1      LYS  95 -42.348 -30.107 -36.968
  719    HZ2  LYS  95           HZ2      LYS  95 -42.183 -29.099 -38.325
  720    HZ3  LYS  95           HZ3      LYS  95 -42.886 -30.637 -38.487
  721    H    ILE  96           HN       ILE  96 -42.163 -28.190 -33.840
  722    HA   ILE  96           HA       ILE  96 -39.369 -27.199 -33.875
  723    HB   ILE  96           HB       ILE  96 -39.795 -27.192 -31.582
  724   HG12  ILE  96          HG12      ILE  96 -38.978 -30.080 -31.904
  725   HG13  ILE  96          HG11      ILE  96 -37.891 -28.767 -32.346
  726   HG21  ILE  96          HG21      ILE  96 -41.337 -29.774 -31.954
  727   HG22  ILE  96          HG22      ILE  96 -42.060 -28.183 -31.713
  728   HG23  ILE  96          HG23      ILE  96 -41.114 -28.924 -30.428
  729   HD11  ILE  96          HD11      ILE  96 -38.150 -27.848 -30.031
  730   HD12  ILE  96          HD12      ILE  96 -37.413 -29.445 -30.062
  731   HD13  ILE  96          HD13      ILE  96 -39.108 -29.269 -29.618
  732    H    GLN  97           HN       GLN  97 -37.867 -28.563 -34.570
  733    HA   GLN  97           HA       GLN  97 -38.667 -31.304 -35.327
  734    HB2  GLN  97           HB2      GLN  97 -37.254 -29.169 -36.868
  735    HB3  GLN  97           HB1      GLN  97 -36.675 -30.820 -37.074
  736    HG2  GLN  97           HG2      GLN  97 -38.973 -31.548 -37.630
  737    HG3  GLN  97           HG1      GLN  97 -39.534 -29.885 -37.460
  738   HE21  GLN  97          HE21      GLN  97 -36.348 -30.112 -38.745
  739   HE22  GLN  97          HE22      GLN  97 -36.758 -29.876 -40.383
  740    H    ILE  98           HN       ILE  98 -37.439 -32.851 -34.472
  741    HA   ILE  98           HA       ILE  98 -34.912 -32.058 -33.115
  742    HB   ILE  98           HB       ILE  98 -36.665 -34.398 -32.343
  743   HG12  ILE  98          HG12      ILE  98 -36.855 -31.537 -31.346
  744   HG13  ILE  98          HG11      ILE  98 -38.083 -32.378 -32.288
  745   HG21  ILE  98          HG21      ILE  98 -34.739 -32.672 -30.785
  746   HG22  ILE  98          HG22      ILE  98 -34.332 -34.226 -31.510
  747   HG23  ILE  98          HG23      ILE  98 -35.522 -34.143 -30.213
  748   HD11  ILE  98          HD11      ILE  98 -37.966 -34.156 -30.355
  749   HD12  ILE  98          HD12      ILE  98 -38.882 -32.667 -30.114
  750   HD13  ILE  98          HD13      ILE  98 -37.265 -32.824 -29.437
  751    H    PHE  99           HN       PHE  99 -33.103 -33.111 -33.738
  752    HA   PHE  99           HA       PHE  99 -33.434 -35.499 -35.479
  753    HB2  PHE  99           HB2      PHE  99 -31.397 -33.284 -35.433
  754    HB3  PHE  99           HB1      PHE  99 -31.054 -34.823 -36.220
  755    HD1  PHE  99           HD1      PHE  99 -33.403 -31.935 -36.173
  756    HD2  PHE  99           HD2      PHE  99 -31.981 -35.352 -38.349
  757    HE1  PHE  99           HE1      PHE  99 -34.667 -31.192 -38.171
  758    HE2  PHE  99           HE2      PHE  99 -33.252 -34.609 -40.346
  759    HZ   PHE  99           HZ       PHE  99 -34.595 -32.527 -40.255
  760    H    GLU 100           HN       GLU 100 -32.627 -37.374 -34.821
  761    HA   GLU 100           HA       GLU 100 -31.617 -37.751 -32.235
  762    HB2  GLU 100           HB2      GLU 100 -32.748 -39.522 -33.502
  763    HB3  GLU 100           HB1      GLU 100 -31.399 -39.569 -34.645
  764    HG2  GLU 100           HG2      GLU 100 -29.870 -40.236 -32.850
  765    HG3  GLU 100           HG1      GLU 100 -31.172 -40.103 -31.667
  766    H    LYS 101           HN       LYS 101 -30.017 -37.137 -35.293
  767    HA   LYS 101           HA       LYS 101 -27.375 -37.388 -33.953
  768    HB2  LYS 101           HB2      LYS 101 -28.002 -37.444 -36.914
  769    HB3  LYS 101           HB1      LYS 101 -26.448 -37.782 -36.151
  770    HG2  LYS 101           HG2      LYS 101 -27.330 -39.755 -35.073
  771    HG3  LYS 101           HG1      LYS 101 -28.967 -39.379 -35.600
  772    HD2  LYS 101           HD2      LYS 101 -28.291 -39.641 -37.941
  773    HD3  LYS 101           HD1      LYS 101 -26.635 -39.997 -37.435
  774    HE2  LYS 101           HE2      LYS 101 -27.459 -41.974 -36.191
  775    HE3  LYS 101           HE1      LYS 101 -29.101 -41.616 -36.726
  776    HZ1  LYS 101           HZ1      LYS 101 -26.854 -42.707 -38.221
  777    HZ2  LYS 101           HZ2      LYS 101 -27.854 -41.613 -39.053
  778    HZ3  LYS 101           HZ3      LYS 101 -28.513 -43.023 -38.371
  779    H    GLY 102           HN       GLY 102 -25.898 -35.695 -34.147
  780    HA2  GLY 102           HA2      GLY 102 -26.794 -33.101 -34.056
  781    HA3  GLY 102           HA1      GLY 102 -25.159 -33.525 -34.514
  782    H    ASP 103           HN       ASP 103 -24.575 -33.598 -36.714
  783    HA   ASP 103           HA       ASP 103 -25.569 -31.796 -38.480
  784    HB2  ASP 103           HB2      ASP 103 -24.675 -33.187 -40.298
  785    HB3  ASP 103           HB1      ASP 103 -23.581 -33.180 -38.917
  786    H    PHE 104           HN       PHE 104 -27.731 -31.502 -38.577
  787    HA   PHE 104           HA       PHE 104 -29.974 -32.653 -38.342
  788    HB2  PHE 104           HB2      PHE 104 -29.408 -31.810 -41.179
  789    HB3  PHE 104           HB1      PHE 104 -30.943 -31.737 -40.317
  790    HD1  PHE 104           HD2      PHE 104 -30.628 -30.504 -37.865
  791    HD2  PHE 104           HD1      PHE 104 -28.354 -29.740 -41.429
  792    HE1  PHE 104           HE2      PHE 104 -30.056 -28.258 -37.010
  793    HE2  PHE 104           HE1      PHE 104 -27.785 -27.487 -40.579
  794    HZ   PHE 104           HZ       PHE 104 -28.623 -26.743 -38.370
  795    H    SER 105           HN       SER 105 -29.416 -34.930 -38.008
  796    HA   SER 105           HA       SER 105 -30.266 -36.498 -40.302
  797    HB2  SER 105           HB2      SER 105 -27.535 -36.782 -39.070
  798    HB3  SER 105           HB1      SER 105 -28.300 -38.082 -39.972
  799    HG   SER 105           HG       SER 105 -27.382 -35.571 -40.826
  800    H    GLY 106           HN       GLY 106 -30.615 -38.737 -39.764
  801    HA2  GLY 106           HA2      GLY 106 -31.024 -40.514 -38.256
  802    HA3  GLY 106           HA1      GLY 106 -30.899 -39.378 -36.918
  803    H    GLN 107           HN       GLN 107 -32.842 -40.082 -36.025
  804    HA   GLN 107           HA       GLN 107 -35.297 -40.079 -37.496
  805    HB2  GLN 107           HB2      GLN 107 -34.977 -41.521 -35.537
  806    HB3  GLN 107           HB1      GLN 107 -34.798 -40.102 -34.510
  807    HG2  GLN 107           HG2      GLN 107 -37.079 -41.027 -34.375
  808    HG3  GLN 107           HG1      GLN 107 -37.096 -39.402 -35.063
  809   HE21  GLN 107          HE21      GLN 107 -38.931 -39.616 -36.406
  810   HE22  GLN 107          HE22      GLN 107 -39.031 -40.720 -37.694
  811    H    MET 108           HN       MET 108 -36.803 -38.495 -37.736
  812    HA   MET 108           HA       MET 108 -36.280 -35.902 -36.417
  813    HB2  MET 108           HB2      MET 108 -35.777 -35.930 -38.870
  814    HB3  MET 108           HB1      MET 108 -37.485 -36.274 -39.147
  815    HG2  MET 108           HG2      MET 108 -38.082 -34.211 -37.899
  816    HG3  MET 108           HG1      MET 108 -36.367 -33.856 -37.697
  817    HE1  MET 108           HE1      MET 108 -39.448 -33.473 -39.651
  818    HE2  MET 108           HE2      MET 108 -38.942 -34.952 -40.463
  819    HE3  MET 108           HE3      MET 108 -39.014 -33.443 -41.367
  820    H    TYR 109           HN       TYR 109 -37.869 -35.209 -35.119
  821    HA   TYR 109           HA       TYR 109 -40.590 -36.297 -35.549
  822    HB2  TYR 109           HB2      TYR 109 -39.114 -35.550 -33.033
  823    HB3  TYR 109           HB1      TYR 109 -40.857 -35.770 -33.093
  824    HD1  TYR 109           HD2      TYR 109 -41.648 -37.999 -34.335
  825    HD2  TYR 109           HD1      TYR 109 -37.800 -37.418 -32.519
  826    HE1  TYR 109           HE2      TYR 109 -41.362 -40.455 -34.156
  827    HE2  TYR 109           HE1      TYR 109 -37.513 -39.875 -32.342
  828    HH   TYR 109           HH       TYR 109 -38.826 -41.876 -32.297
  829    H    GLU 110           HN       GLU 110 -42.201 -34.913 -35.800
  830    HA   GLU 110           HA       GLU 110 -41.694 -32.018 -35.382
  831    HB2  GLU 110           HB2      GLU 110 -43.595 -31.957 -37.275
  832    HB3  GLU 110           HB1      GLU 110 -41.886 -32.064 -37.688
  833    HG2  GLU 110           HG2      GLU 110 -42.043 -34.469 -37.928
  834    HG3  GLU 110           HG1      GLU 110 -43.702 -34.457 -37.330
  835    H    THR 111           HN       THR 111 -42.916 -31.222 -33.798
  836    HA   THR 111           HA       THR 111 -45.727 -32.004 -33.573
  837    HB   THR 111           HB       THR 111 -44.308 -33.546 -32.111
  838    HG1  THR 111           HG1      THR 111 -45.891 -33.550 -30.647
  839   HG21  THR 111          HG21      THR 111 -42.824 -31.546 -31.398
  840   HG22  THR 111          HG22      THR 111 -43.295 -32.696 -30.149
  841   HG23  THR 111          HG23      THR 111 -44.132 -31.153 -30.284
  842    H    THR 112           HN       THR 112 -46.906 -30.218 -33.301
  843    HA   THR 112           HA       THR 112 -45.568 -27.737 -32.461
  844    HB   THR 112           HB       THR 112 -46.825 -27.519 -34.473
  845    HG1  THR 112           HG1      THR 112 -48.318 -25.951 -33.818
  846   HG21  THR 112          HG21      THR 112 -49.042 -28.841 -32.914
  847   HG22  THR 112          HG22      THR 112 -48.278 -29.403 -34.400
  848   HG23  THR 112          HG23      THR 112 -49.320 -27.980 -34.428
  849    H    GLU 113           HN       GLU 113 -45.882 -29.540 -30.409
  850    HA   GLU 113           HA       GLU 113 -47.724 -28.063 -28.643
  851    HB2  GLU 113           HB2      GLU 113 -48.343 -30.344 -27.604
  852    HB3  GLU 113           HB1      GLU 113 -49.120 -29.896 -29.127
  853    HG2  GLU 113           HG2      GLU 113 -47.536 -31.240 -30.385
  854    HG3  GLU 113           HG1      GLU 113 -46.628 -31.609 -28.921
  855    H    ASP 114           HN       ASP 114 -47.400 -29.188 -26.298
  856    HA   ASP 114           HA       ASP 114 -44.557 -28.838 -25.731
  857    HB2  ASP 114           HB2      ASP 114 -45.374 -29.118 -23.327
  858    HB3  ASP 114           HB1      ASP 114 -45.946 -27.707 -24.195
  859    H    CYS 115           HN       CYS 115 -43.384 -30.334 -24.470
  860    HA   CYS 115           HA       CYS 115 -44.371 -33.108 -24.552
  861    HB2  CYS 115           HB2      CYS 115 -42.845 -32.759 -26.422
  862    HB3  CYS 115           HB1      CYS 115 -41.615 -32.161 -25.310
  863    HG   CYS 115           HG       CYS 115 -40.965 -34.535 -25.012
  864    HA   PRO 116           HA       PRO 116 -42.717 -32.610 -20.361
  865    HB2  PRO 116           HB2      PRO 116 -43.654 -34.935 -19.280
  866    HB3  PRO 116           HB1      PRO 116 -44.716 -33.547 -19.594
  867    HG2  PRO 116           HG2      PRO 116 -44.358 -36.045 -21.182
  868    HG3  PRO 116           HG1      PRO 116 -45.838 -35.142 -20.836
  869    HD2  PRO 116           HD2      PRO 116 -44.423 -34.976 -23.225
  870    HD3  PRO 116           HD1      PRO 116 -45.515 -33.700 -22.615
  871    H    SER 117           HN       SER 117 -42.650 -35.961 -21.659
  872    HA   SER 117           HA       SER 117 -39.755 -36.134 -20.997
  873    HB2  SER 117           HB2      SER 117 -41.871 -38.290 -21.075
  874    HB3  SER 117           HB1      SER 117 -40.139 -38.618 -20.964
  875    HG   SER 117           HG       SER 117 -40.101 -37.502 -19.023
  876    H    ILE 118           HN       ILE 118 -38.587 -35.889 -22.810
  877    HA   ILE 118           HA       ILE 118 -39.657 -36.230 -25.413
  878    HB   ILE 118           HB       ILE 118 -37.632 -34.824 -24.427
  879   HG12  ILE 118          HG12      ILE 118 -37.683 -35.932 -27.246
  880   HG13  ILE 118          HG11      ILE 118 -38.618 -34.551 -26.659
  881   HG21  ILE 118          HG21      ILE 118 -36.196 -37.197 -25.633
  882   HG22  ILE 118          HG22      ILE 118 -36.262 -36.830 -23.910
  883   HG23  ILE 118          HG23      ILE 118 -35.460 -35.725 -25.015
  884   HD11  ILE 118          HD11      ILE 118 -36.286 -34.246 -27.910
  885   HD12  ILE 118          HD12      ILE 118 -35.657 -34.423 -26.285
  886   HD13  ILE 118          HD13      ILE 118 -36.822 -33.148 -26.650
  887    H    MET 119           HN       MET 119 -37.449 -38.155 -23.449
  888    HA   MET 119           HA       MET 119 -36.945 -40.149 -25.384
  889    HB2  MET 119           HB2      MET 119 -35.559 -39.742 -23.357
  890    HB3  MET 119           HB1      MET 119 -36.867 -40.407 -22.379
  891    HG2  MET 119           HG2      MET 119 -36.690 -42.549 -23.472
  892    HG3  MET 119           HG1      MET 119 -35.569 -41.903 -24.663
  893    HE1  MET 119           HE1      MET 119 -35.272 -44.411 -23.236
  894    HE2  MET 119           HE2      MET 119 -33.760 -44.516 -22.340
  895    HE3  MET 119           HE3      MET 119 -33.746 -43.979 -24.017
  896    H    GLU 120           HN       GLU 120 -39.677 -39.565 -23.364
  897    HA   GLU 120           HA       GLU 120 -40.598 -42.278 -23.251
  898    HB2  GLU 120           HB2      GLU 120 -41.234 -40.535 -21.618
  899    HB3  GLU 120           HB1      GLU 120 -42.146 -39.715 -22.885
  900    HG2  GLU 120           HG2      GLU 120 -43.705 -41.044 -21.655
  901    HG3  GLU 120           HG1      GLU 120 -43.453 -41.881 -23.176
  902    H    GLN 121           HN       GLN 121 -41.488 -39.454 -25.222
  903    HA   GLN 121           HA       GLN 121 -43.239 -41.182 -26.834
  904    HB2  GLN 121           HB2      GLN 121 -44.213 -39.140 -27.678
  905    HB3  GLN 121           HB1      GLN 121 -44.205 -39.142 -25.919
  906    HG2  GLN 121           HG2      GLN 121 -42.861 -37.298 -25.804
  907    HG3  GLN 121           HG1      GLN 121 -41.764 -37.917 -27.026
  908   HE21  GLN 121          HE21      GLN 121 -43.112 -35.170 -26.687
  909   HE22  GLN 121          HE22      GLN 121 -43.826 -34.880 -28.197
  910    H    PHE 122           HN       PHE 122 -40.234 -39.404 -27.056
  911    HA   PHE 122           HA       PHE 122 -40.148 -40.000 -29.956
  912    HB2  PHE 122           HB2      PHE 122 -38.651 -37.921 -28.350
  913    HB3  PHE 122           HB1      PHE 122 -38.355 -38.272 -30.046
  914    HD1  PHE 122           HD2      PHE 122 -40.893 -38.537 -31.335
  915    HD2  PHE 122           HD1      PHE 122 -39.836 -35.916 -28.098
  916    HE1  PHE 122           HE2      PHE 122 -42.714 -37.010 -31.977
  917    HE2  PHE 122           HE1      PHE 122 -41.659 -34.379 -28.760
  918    HZ   PHE 122           HZ       PHE 122 -43.100 -34.935 -30.697
  919    H    HIS 123           HN       HIS 123 -39.196 -41.303 -27.138
  920    HA   HIS 123           HA       HIS 123 -37.524 -42.775 -26.539
  921    HB2  HIS 123           HB2      HIS 123 -37.553 -43.152 -29.535
  922    HB3  HIS 123           HB1      HIS 123 -36.734 -44.232 -28.401
  923    HD2  HIS 123           HD2      HIS 123 -39.274 -45.579 -29.937
  924    HE1  HIS 123           HE1      HIS 123 -41.443 -44.816 -26.393
  925    HE2  HIS 123           HE2      HIS 123 -41.415 -46.155 -28.553
  926    H    MET 124           HN       MET 124 -36.834 -39.922 -27.779
  927    HA   MET 124           HA       MET 124 -34.097 -40.248 -28.580
  928    HB2  MET 124           HB2      MET 124 -35.753 -37.831 -27.834
  929    HB3  MET 124           HB1      MET 124 -34.064 -37.745 -28.322
  930    HG2  MET 124           HG2      MET 124 -35.808 -39.322 -30.137
  931    HG3  MET 124           HG1      MET 124 -36.143 -37.599 -30.088
  932    HE1  MET 124           HE1      MET 124 -35.507 -37.753 -32.762
  933    HE2  MET 124           HE2      MET 124 -34.102 -36.719 -32.947
  934    HE3  MET 124           HE3      MET 124 -35.354 -36.282 -31.799
  935    H    ARG 125           HN       ARG 125 -32.334 -40.202 -27.319
  936    HA   ARG 125           HA       ARG 125 -32.741 -39.921 -24.409
  937    HB2  ARG 125           HB2      ARG 125 -30.306 -41.113 -24.645
  938    HB3  ARG 125           HB1      ARG 125 -31.816 -42.014 -24.570
  939    HG2  ARG 125           HG2      ARG 125 -31.934 -42.143 -26.985
  940    HG3  ARG 125           HG1      ARG 125 -30.539 -41.076 -27.152
  941    HD2  ARG 125           HD2      ARG 125 -29.846 -43.399 -27.447
  942    HD3  ARG 125           HD1      ARG 125 -29.148 -42.746 -25.969
  943    HE   ARG 125           HE       ARG 125 -30.531 -44.165 -24.717
  944   HH11  ARG 125          HH21      ARG 125 -31.339 -44.196 -28.082
  945   HH12  ARG 125          HH22      ARG 125 -32.354 -45.594 -27.966
  946   HH21  ARG 125          HH11      ARG 125 -31.855 -45.999 -24.560
  947   HH22  ARG 125          HH12      ARG 125 -32.646 -46.617 -25.971
  948    H    GLU 126           HN       GLU 126 -30.927 -38.763 -27.163
  949    HA   GLU 126           HA       GLU 126 -29.949 -36.543 -25.550
  950    HB2  GLU 126           HB2      GLU 126 -27.772 -37.662 -27.216
  951    HB3  GLU 126           HB1      GLU 126 -27.704 -36.980 -25.603
  952    HG2  GLU 126           HG2      GLU 126 -28.849 -39.734 -26.124
  953    HG3  GLU 126           HG1      GLU 126 -27.144 -39.470 -25.860
  954    H    ILE 127           HN       ILE 127 -30.734 -34.919 -26.652
  955    HA   ILE 127           HA       ILE 127 -31.054 -34.967 -29.519
  956    HB   ILE 127           HB       ILE 127 -31.293 -32.506 -27.769
  957   HG12  ILE 127          HG12      ILE 127 -32.685 -34.097 -26.639
  958   HG13  ILE 127          HG11      ILE 127 -33.775 -33.188 -27.693
  959   HG21  ILE 127          HG21      ILE 127 -33.008 -31.938 -29.485
  960   HG22  ILE 127          HG22      ILE 127 -32.579 -33.413 -30.349
  961   HG23  ILE 127          HG23      ILE 127 -31.410 -32.136 -30.178
  962   HD11  ILE 127          HD11      ILE 127 -32.653 -35.953 -28.158
  963   HD12  ILE 127          HD12      ILE 127 -33.449 -35.018 -29.422
  964   HD13  ILE 127          HD13      ILE 127 -34.341 -35.489 -27.980
  965    H    HIS 128           HN       HIS 128 -29.610 -34.456 -30.990
  966    HA   HIS 128           HA       HIS 128 -27.137 -33.061 -30.175
  967    HB2  HIS 128           HB2      HIS 128 -27.702 -34.817 -32.559
  968    HB3  HIS 128           HB1      HIS 128 -26.134 -34.134 -32.135
  969    HD2  HIS 128           HD2      HIS 128 -24.800 -35.470 -30.040
  970    HE1  HIS 128           HE1      HIS 128 -27.775 -38.405 -29.409
  971    HE2  HIS 128           HE2      HIS 128 -25.399 -37.703 -28.818
  972    H    SER 129           HN       SER 129 -29.837 -32.956 -32.410
  973    HA   SER 129           HA       SER 129 -29.151 -30.200 -33.083
  974    HB2  SER 129           HB2      SER 129 -27.962 -31.272 -34.823
  975    HB3  SER 129           HB1      SER 129 -29.279 -32.417 -35.101
  976    HG   SER 129           HG       SER 129 -29.112 -30.570 -36.587
  977    H    CYS 130           HN       CYS 130 -30.880 -28.999 -33.802
  978    HA   CYS 130           HA       CYS 130 -33.465 -30.284 -34.265
  979    HB2  CYS 130           HB2      CYS 130 -33.739 -30.088 -31.952
  980    HB3  CYS 130           HB1      CYS 130 -32.810 -28.595 -31.870
  981    HG   CYS 130           HG       CYS 130 -35.729 -28.754 -32.991
  982    H    LYS 131           HN       LYS 131 -34.461 -29.272 -35.881
  983    HA   LYS 131           HA       LYS 131 -33.599 -26.526 -36.595
  984    HB2  LYS 131           HB2      LYS 131 -34.865 -28.688 -38.294
  985    HB3  LYS 131           HB1      LYS 131 -34.487 -27.059 -38.851
  986    HG2  LYS 131           HG2      LYS 131 -32.077 -27.559 -38.042
  987    HG3  LYS 131           HG1      LYS 131 -32.586 -29.245 -38.009
  988    HD2  LYS 131           HD2      LYS 131 -32.805 -27.434 -40.433
  989    HD3  LYS 131           HD1      LYS 131 -31.507 -28.595 -40.173
  990    HE2  LYS 131           HE2      LYS 131 -33.284 -30.390 -39.989
  991    HE3  LYS 131           HE1      LYS 131 -34.452 -29.186 -40.532
  992    HZ1  LYS 131           HZ1      LYS 131 -32.248 -30.433 -42.001
  993    HZ2  LYS 131           HZ2      LYS 131 -32.686 -28.841 -42.402
  994    HZ3  LYS 131           HZ3      LYS 131 -33.829 -30.094 -42.510
  995    H    VAL 132           HN       VAL 132 -35.598 -25.736 -38.201
  996    HA   VAL 132           HA       VAL 132 -37.586 -24.600 -38.092
  997    HB   VAL 132           HB       VAL 132 -38.545 -27.129 -36.730
  998   HG11  VAL 132          HG11      VAL 132 -40.654 -26.426 -38.076
  999   HG12  VAL 132          HG12      VAL 132 -39.889 -24.844 -38.177
 1000   HG13  VAL 132          HG13      VAL 132 -40.281 -25.533 -36.604
 1001   HG21  VAL 132          HG21      VAL 132 -37.429 -27.785 -38.758
 1002   HG22  VAL 132          HG22      VAL 132 -38.135 -26.437 -39.651
 1003   HG23  VAL 132          HG23      VAL 132 -39.156 -27.770 -39.114
 1004    H    LEU 133           HN       LEU 133 -36.934 -22.989 -36.658
 1005    HA   LEU 133           HA       LEU 133 -37.608 -23.367 -33.806
 1006    HB2  LEU 133           HB2      LEU 133 -35.663 -21.632 -35.283
 1007    HB3  LEU 133           HB1      LEU 133 -36.348 -20.995 -33.787
 1008    HG   LEU 133           HG       LEU 133 -34.199 -22.264 -33.469
 1009   HD11  LEU 133          HD11      LEU 133 -36.621 -22.414 -31.948
 1010   HD12  LEU 133          HD12      LEU 133 -34.979 -22.609 -31.374
 1011   HD13  LEU 133          HD13      LEU 133 -35.894 -24.017 -31.901
 1012   HD21  LEU 133          HD21      LEU 133 -35.772 -24.795 -33.927
 1013   HD22  LEU 133          HD22      LEU 133 -34.029 -24.557 -33.933
 1014   HD23  LEU 133          HD23      LEU 133 -34.995 -24.000 -35.295
 1015    H    GLU 134           HN       GLU 134 -38.488 -21.347 -32.737
 1016    HA   GLU 134           HA       GLU 134 -40.228 -19.764 -34.485
 1017    HB2  GLU 134           HB2      GLU 134 -41.138 -21.935 -32.740
 1018    HB3  GLU 134           HB1      GLU 134 -41.879 -20.405 -32.287
 1019    HG2  GLU 134           HG2      GLU 134 -43.256 -21.475 -33.929
 1020    HG3  GLU 134           HG1      GLU 134 -42.519 -20.078 -34.688
 1021    H    GLY 135           HN       GLY 135 -39.624 -17.772 -34.026
 1022    HA2  GLY 135           HA2      GLY 135 -38.684 -16.002 -32.840
 1023    HA3  GLY 135           HA1      GLY 135 -40.143 -16.253 -31.891
 1024    H    VAL 136           HN       VAL 136 -40.018 -17.334 -29.921
 1025    HA   VAL 136           HA       VAL 136 -37.281 -17.650 -28.808
 1026    HB   VAL 136           HB       VAL 136 -39.816 -16.997 -27.313
 1027   HG11  VAL 136          HG11      VAL 136 -37.716 -18.123 -26.193
 1028   HG12  VAL 136          HG12      VAL 136 -38.463 -16.739 -25.411
 1029   HG13  VAL 136          HG13      VAL 136 -36.998 -16.525 -26.367
 1030   HG21  VAL 136          HG21      VAL 136 -37.596 -15.054 -27.902
 1031   HG22  VAL 136          HG22      VAL 136 -39.229 -14.724 -27.319
 1032   HG23  VAL 136          HG23      VAL 136 -38.979 -15.219 -28.983
 1033    H    TRP 137           HN       TRP 137 -36.791 -19.519 -27.770
 1034    HA   TRP 137           HA       TRP 137 -38.935 -21.556 -27.457
 1035    HB2  TRP 137           HB2      TRP 137 -37.395 -21.836 -29.499
 1036    HB3  TRP 137           HB1      TRP 137 -36.114 -22.189 -28.339
 1037    HD1  TRP 137           HD1      TRP 137 -36.192 -24.456 -27.066
 1038    HE1  TRP 137           HE1      TRP 137 -37.641 -26.588 -27.334
 1039    HE3  TRP 137           HE3      TRP 137 -39.810 -22.644 -30.155
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.042 -27.376 -28.682
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.665 -24.098 -30.916
 1042    HH2  TRP 137           HH2      TRP 137 -41.776 -26.459 -30.183
 1043    H    ILE 138           HN       ILE 138 -38.185 -23.394 -26.022
 1044    HA   ILE 138           HA       ILE 138 -36.171 -22.637 -24.018
 1045    HB   ILE 138           HB       ILE 138 -39.080 -23.147 -23.363
 1046   HG12  ILE 138          HG12      ILE 138 -37.194 -20.890 -22.609
 1047   HG13  ILE 138          HG11      ILE 138 -38.383 -20.813 -23.906
 1048   HG21  ILE 138          HG21      ILE 138 -38.215 -22.948 -20.942
 1049   HG22  ILE 138          HG22      ILE 138 -36.617 -23.270 -21.606
 1050   HG23  ILE 138          HG23      ILE 138 -37.897 -24.468 -21.771
 1051   HD11  ILE 138          HD11      ILE 138 -38.805 -20.793 -20.954
 1052   HD12  ILE 138          HD12      ILE 138 -40.044 -21.568 -21.945
 1053   HD13  ILE 138          HD13      ILE 138 -39.629 -19.874 -22.208
 1054    H    PHE 139           HN       PHE 139 -34.911 -24.324 -23.683
 1055    HA   PHE 139           HA       PHE 139 -36.011 -27.066 -23.989
 1056    HB2  PHE 139           HB2      PHE 139 -33.522 -25.778 -24.881
 1057    HB3  PHE 139           HB1      PHE 139 -33.183 -27.230 -23.937
 1058    HD1  PHE 139           HD1      PHE 139 -36.132 -26.545 -26.162
 1059    HD2  PHE 139           HD2      PHE 139 -32.509 -28.786 -25.586
 1060    HE1  PHE 139           HE1      PHE 139 -36.713 -27.963 -28.094
 1061    HE2  PHE 139           HE2      PHE 139 -33.093 -30.210 -27.528
 1062    HZ   PHE 139           HZ       PHE 139 -35.193 -29.798 -28.784
 1063    H    TYR 140           HN       TYR 140 -36.097 -28.338 -22.299
 1064    HA   TYR 140           HA       TYR 140 -34.970 -27.306 -19.751
 1065    HB2  TYR 140           HB2      TYR 140 -37.406 -28.898 -20.502
 1066    HB3  TYR 140           HB1      TYR 140 -36.737 -29.101 -18.908
 1067    HD1  TYR 140           HD2      TYR 140 -36.229 -26.926 -17.556
 1068    HD2  TYR 140           HD1      TYR 140 -38.856 -27.094 -20.942
 1069    HE1  TYR 140           HE2      TYR 140 -37.319 -24.831 -16.814
 1070    HE2  TYR 140           HE1      TYR 140 -39.945 -25.000 -20.207
 1071    HH   TYR 140           HH       TYR 140 -39.085 -23.473 -17.121
 1072    H    GLU 141           HN       GLU 141 -33.066 -28.253 -19.324
 1073    HA   GLU 141           HA       GLU 141 -32.056 -30.592 -20.342
 1074    HB2  GLU 141           HB2      GLU 141 -30.823 -28.904 -18.952
 1075    HB3  GLU 141           HB1      GLU 141 -31.566 -29.618 -17.522
 1076    HG2  GLU 141           HG2      GLU 141 -30.593 -31.817 -18.135
 1077    HG3  GLU 141           HG1      GLU 141 -29.819 -31.066 -19.527
 1078    H    LEU 142           HN       LEU 142 -34.449 -30.215 -17.835
 1079    HA   LEU 142           HA       LEU 142 -34.385 -33.127 -17.301
 1080    HB2  LEU 142           HB2      LEU 142 -34.812 -30.774 -15.584
 1081    HB3  LEU 142           HB1      LEU 142 -35.961 -32.056 -15.301
 1082    HG   LEU 142           HG       LEU 142 -34.061 -33.651 -15.043
 1083   HD11  LEU 142          HD11      LEU 142 -31.789 -32.504 -14.665
 1084   HD12  LEU 142          HD12      LEU 142 -32.478 -31.117 -15.508
 1085   HD13  LEU 142          HD13      LEU 142 -32.327 -32.666 -16.335
 1086   HD21  LEU 142          HD21      LEU 142 -34.956 -32.703 -13.023
 1087   HD22  LEU 142          HD22      LEU 142 -34.105 -31.181 -13.290
 1088   HD23  LEU 142          HD23      LEU 142 -33.198 -32.638 -12.880
 1089    HA   PRO 143           HA       PRO 143 -38.399 -33.403 -19.075
 1090    HB2  PRO 143           HB2      PRO 143 -39.478 -35.524 -17.795
 1091    HB3  PRO 143           HB1      PRO 143 -38.066 -35.695 -18.860
 1092    HG2  PRO 143           HG2      PRO 143 -38.183 -35.602 -15.879
 1093    HG3  PRO 143           HG1      PRO 143 -37.184 -36.611 -16.935
 1094    HD2  PRO 143           HD2      PRO 143 -36.295 -34.294 -15.690
 1095    HD3  PRO 143           HD1      PRO 143 -35.563 -35.003 -17.132
 1096    H    ASN 144           HN       ASN 144 -40.732 -33.293 -18.638
 1097    HA   ASN 144           HA       ASN 144 -42.608 -32.545 -17.569
 1098    HB2  ASN 144           HB2      ASN 144 -41.095 -32.285 -14.977
 1099    HB3  ASN 144           HB1      ASN 144 -42.800 -32.639 -15.238
 1100   HD21  ASN 144          HD21      ASN 144 -39.596 -34.050 -15.079
 1101   HD22  ASN 144          HD22      ASN 144 -40.092 -35.665 -15.247
 1102    H    TYR 145           HN       TYR 145 -40.142 -30.827 -18.498
 1103    HA   TYR 145           HA       TYR 145 -39.984 -28.588 -18.934
 1104    HB2  TYR 145           HB2      TYR 145 -42.112 -27.875 -16.940
 1105    HB3  TYR 145           HB1      TYR 145 -41.716 -27.125 -18.480
 1106    HD1  TYR 145           HD2      TYR 145 -41.814 -29.033 -20.516
 1107    HD2  TYR 145           HD1      TYR 145 -44.188 -28.953 -16.934
 1108    HE1  TYR 145           HE2      TYR 145 -43.566 -30.374 -21.645
 1109    HE2  TYR 145           HE1      TYR 145 -45.927 -30.315 -18.064
 1110    HH   TYR 145           HH       TYR 145 -45.398 -31.976 -20.908
 1111    H    ARG 146           HN       ARG 146 -38.722 -30.088 -16.658
 1112    HA   ARG 146           HA       ARG 146 -38.112 -27.847 -14.837
 1113    HB2  ARG 146           HB2      ARG 146 -37.805 -30.838 -14.510
 1114    HB3  ARG 146           HB1      ARG 146 -37.182 -29.654 -13.359
 1115    HG2  ARG 146           HG2      ARG 146 -39.457 -28.755 -13.044
 1116    HG3  ARG 146           HG1      ARG 146 -40.084 -29.933 -14.195
 1117    HD2  ARG 146           HD2      ARG 146 -38.605 -30.680 -11.661
 1118    HD3  ARG 146           HD1      ARG 146 -40.359 -30.610 -11.788
 1119    HE   ARG 146           HE       ARG 146 -39.465 -32.247 -13.863
 1120   HH11  ARG 146          HH21      ARG 146 -39.420 -32.128 -10.405
 1121   HH12  ARG 146          HH22      ARG 146 -39.426 -33.848 -10.208
 1122   HH21  ARG 146          HH11      ARG 146 -39.472 -34.505 -13.612
 1123   HH22  ARG 146          HH12      ARG 146 -39.457 -35.194 -12.024
 1124    H    GLY 147           HN       GLY 147 -35.810 -27.889 -14.010
 1125    HA2  GLY 147           HA2      GLY 147 -33.487 -28.279 -14.411
 1126    HA3  GLY 147           HA1      GLY 147 -33.873 -28.794 -16.049
 1127    H    ARG 148           HN       ARG 148 -31.844 -27.072 -15.699
 1128    HA   ARG 148           HA       ARG 148 -32.544 -24.335 -15.829
 1129    HB2  ARG 148           HB2      ARG 148 -30.125 -25.471 -17.221
 1130    HB3  ARG 148           HB1      ARG 148 -30.302 -23.939 -16.362
 1131    HG2  ARG 148           HG2      ARG 148 -29.292 -25.023 -14.614
 1132    HG3  ARG 148           HG1      ARG 148 -30.859 -25.760 -14.344
 1133    HD2  ARG 148           HD2      ARG 148 -30.179 -27.637 -15.863
 1134    HD3  ARG 148           HD1      ARG 148 -28.584 -26.907 -15.988
 1135    HE   ARG 148           HE       ARG 148 -28.123 -27.612 -13.803
 1136   HH11  ARG 148          HH21      ARG 148 -31.456 -28.049 -14.634
 1137   HH12  ARG 148          HH22      ARG 148 -31.819 -29.015 -13.243
 1138   HH21  ARG 148          HH11      ARG 148 -28.596 -28.883 -11.973
 1139   HH22  ARG 148          HH12      ARG 148 -30.202 -29.487 -11.739
 1140    H    GLN 149           HN       GLN 149 -33.107 -23.052 -17.493
 1141    HA   GLN 149           HA       GLN 149 -33.976 -24.332 -19.949
 1142    HB2  GLN 149           HB2      GLN 149 -34.185 -21.518 -18.898
 1143    HB3  GLN 149           HB1      GLN 149 -34.798 -22.001 -20.480
 1144    HG2  GLN 149           HG2      GLN 149 -36.688 -22.215 -19.105
 1145    HG3  GLN 149           HG1      GLN 149 -36.061 -23.858 -19.135
 1146   HE21  GLN 149          HE21      GLN 149 -36.718 -21.117 -17.085
 1147   HE22  GLN 149          HE22      GLN 149 -36.138 -21.808 -15.640
 1148    H    TYR 150           HN       TYR 150 -33.209 -23.890 -21.995
 1149    HA   TYR 150           HA       TYR 150 -30.550 -22.567 -22.121
 1150    HB2  TYR 150           HB2      TYR 150 -31.727 -24.854 -23.703
 1151    HB3  TYR 150           HB1      TYR 150 -30.319 -23.957 -24.265
 1152    HD1  TYR 150           HD2      TYR 150 -28.453 -23.575 -22.383
 1153    HD2  TYR 150           HD1      TYR 150 -31.337 -26.758 -22.394
 1154    HE1  TYR 150           HE2      TYR 150 -26.978 -24.915 -20.912
 1155    HE2  TYR 150           HE1      TYR 150 -29.858 -28.099 -20.926
 1156    HH   TYR 150           HH       TYR 150 -26.599 -27.046 -20.144
 1157    H    LEU 151           HN       LEU 151 -30.342 -20.809 -23.339
 1158    HA   LEU 151           HA       LEU 151 -32.175 -20.314 -25.574
 1159    HB2  LEU 151           HB2      LEU 151 -33.279 -19.227 -23.673
 1160    HB3  LEU 151           HB1      LEU 151 -31.788 -18.374 -23.275
 1161    HG   LEU 151           HG       LEU 151 -31.864 -17.184 -25.420
 1162   HD11  LEU 151          HD11      LEU 151 -32.856 -18.606 -26.990
 1163   HD12  LEU 151          HD12      LEU 151 -34.160 -17.461 -26.688
 1164   HD13  LEU 151          HD13      LEU 151 -34.179 -19.044 -25.912
 1165   HD21  LEU 151          HD21      LEU 151 -33.839 -15.812 -24.976
 1166   HD22  LEU 151          HD22      LEU 151 -33.084 -16.278 -23.452
 1167   HD23  LEU 151          HD23      LEU 151 -34.543 -17.103 -24.003
 1168    H    LEU 152           HN       LEU 152 -30.437 -20.507 -26.982
 1169    HA   LEU 152           HA       LEU 152 -28.649 -18.201 -27.070
 1170    HB2  LEU 152           HB2      LEU 152 -27.510 -20.083 -25.742
 1171    HB3  LEU 152           HB1      LEU 152 -27.477 -20.976 -27.261
 1172    HG   LEU 152           HG       LEU 152 -26.427 -18.707 -28.197
 1173   HD11  LEU 152          HD11      LEU 152 -25.192 -17.434 -26.626
 1174   HD12  LEU 152          HD12      LEU 152 -25.392 -18.644 -25.358
 1175   HD13  LEU 152          HD13      LEU 152 -26.760 -17.657 -25.858
 1176   HD21  LEU 152          HD21      LEU 152 -25.248 -20.821 -28.274
 1177   HD22  LEU 152          HD22      LEU 152 -24.944 -20.766 -26.538
 1178   HD23  LEU 152          HD23      LEU 152 -24.154 -19.609 -27.610
 1179    H    ASP 153           HN       ASP 153 -27.950 -17.717 -29.126
 1180    HA   ASP 153           HA       ASP 153 -28.093 -17.614 -31.413
 1181    HB2  ASP 153           HB2      ASP 153 -27.942 -20.599 -30.975
 1182    HB3  ASP 153           HB1      ASP 153 -27.945 -19.873 -32.579
 1183    H    LYS 154           HN       LYS 154 -29.493 -17.973 -33.267
 1184    HA   LYS 154           HA       LYS 154 -32.075 -19.230 -32.824
 1185    HB2  LYS 154           HB2      LYS 154 -32.197 -16.905 -31.786
 1186    HB3  LYS 154           HB1      LYS 154 -32.004 -16.272 -33.421
 1187    HG2  LYS 154           HG2      LYS 154 -34.016 -17.424 -34.159
 1188    HG3  LYS 154           HG1      LYS 154 -34.174 -18.222 -32.597
 1189    HD2  LYS 154           HD2      LYS 154 -35.698 -16.321 -32.705
 1190    HD3  LYS 154           HD1      LYS 154 -34.439 -15.996 -31.518
 1191    HE2  LYS 154           HE2      LYS 154 -33.352 -14.454 -32.925
 1192    HE3  LYS 154           HE1      LYS 154 -34.132 -15.086 -34.377
 1193    HZ1  LYS 154           HZ1      LYS 154 -34.994 -12.910 -33.407
 1194    HZ2  LYS 154           HZ2      LYS 154 -35.702 -13.867 -32.195
 1195    HZ3  LYS 154           HZ3      LYS 154 -36.138 -14.091 -33.822
 1196    H    LYS 155           HN       LYS 155 -30.467 -20.165 -34.634
 1197    HA   LYS 155           HA       LYS 155 -31.611 -19.255 -37.188
 1198    HB2  LYS 155           HB2      LYS 155 -28.651 -19.553 -36.631
 1199    HB3  LYS 155           HB1      LYS 155 -29.341 -19.474 -38.253
 1200    HG2  LYS 155           HG2      LYS 155 -30.330 -17.275 -37.730
 1201    HG3  LYS 155           HG1      LYS 155 -29.641 -17.351 -36.106
 1202    HD2  LYS 155           HD2      LYS 155 -27.373 -17.467 -37.073
 1203    HD3  LYS 155           HD1      LYS 155 -28.065 -17.361 -38.694
 1204    HE2  LYS 155           HE2      LYS 155 -29.017 -15.167 -38.175
 1205    HE3  LYS 155           HE1      LYS 155 -28.402 -15.270 -36.525
 1206    HZ1  LYS 155           HZ1      LYS 155 -26.279 -14.914 -37.190
 1207    HZ2  LYS 155           HZ2      LYS 155 -27.071 -14.058 -38.426
 1208    HZ3  LYS 155           HZ3      LYS 155 -26.497 -15.633 -38.711
 1209    H    GLU 156           HN       GLU 156 -29.576 -21.637 -35.526
 1210    HA   GLU 156           HA       GLU 156 -31.120 -23.847 -36.294
 1211    HB2  GLU 156           HB2      GLU 156 -29.632 -22.921 -38.480
 1212    HB3  GLU 156           HB1      GLU 156 -28.652 -24.240 -37.863
 1213    HG2  GLU 156           HG2      GLU 156 -30.648 -25.719 -37.919
 1214    HG3  GLU 156           HG1      GLU 156 -31.589 -24.392 -38.594
 1215    H    TYR 157           HN       TYR 157 -30.327 -25.813 -35.450
 1216    HA   TYR 157           HA       TYR 157 -27.864 -25.571 -33.819
 1217    HB2  TYR 157           HB2      TYR 157 -30.205 -27.285 -33.027
 1218    HB3  TYR 157           HB1      TYR 157 -28.900 -26.670 -32.017
 1219    HD1  TYR 157           HD2      TYR 157 -28.811 -23.798 -32.736
 1220    HD2  TYR 157           HD1      TYR 157 -32.189 -26.385 -32.153
 1221    HE1  TYR 157           HE2      TYR 157 -30.204 -21.845 -32.157
 1222    HE2  TYR 157           HE1      TYR 157 -33.579 -24.431 -31.572
 1223    HH   TYR 157           HH       TYR 157 -32.215 -21.128 -31.598
 1224    H    ARG 158           HN       ARG 158 -26.383 -26.740 -34.800
 1225    HA   ARG 158           HA       ARG 158 -27.119 -29.386 -35.905
 1226    HB2  ARG 158           HB2      ARG 158 -25.245 -29.203 -37.370
 1227    HB3  ARG 158           HB1      ARG 158 -26.101 -27.665 -37.450
 1228    HG2  ARG 158           HG2      ARG 158 -24.501 -26.781 -35.708
 1229    HG3  ARG 158           HG1      ARG 158 -23.575 -28.275 -35.895
 1230    HD2  ARG 158           HD2      ARG 158 -22.586 -26.598 -37.320
 1231    HD3  ARG 158           HD1      ARG 158 -23.390 -27.788 -38.340
 1232    HE   ARG 158           HE       ARG 158 -25.181 -25.668 -37.750
 1233   HH11  ARG 158          HH21      ARG 158 -22.321 -26.428 -39.539
 1234   HH12  ARG 158          HH22      ARG 158 -22.622 -25.262 -40.781
 1235   HH21  ARG 158          HH11      ARG 158 -25.586 -24.136 -39.372
 1236   HH22  ARG 158          HH12      ARG 158 -24.473 -23.961 -40.688
 1237    H    LYS 159           HN       LYS 159 -25.323 -27.765 -33.434
 1238    HA   LYS 159           HA       LYS 159 -23.990 -30.311 -32.710
 1239    HB2  LYS 159           HB2      LYS 159 -22.448 -28.500 -31.426
 1240    HB3  LYS 159           HB1      LYS 159 -22.111 -29.029 -33.077
 1241    HG2  LYS 159           HG2      LYS 159 -22.916 -27.056 -34.025
 1242    HG3  LYS 159           HG1      LYS 159 -23.986 -26.715 -32.674
 1243    HD2  LYS 159           HD2      LYS 159 -22.046 -25.168 -32.750
 1244    HD3  LYS 159           HD1      LYS 159 -22.094 -26.121 -31.269
 1245    HE2  LYS 159           HE2      LYS 159 -20.331 -27.520 -31.962
 1246    HE3  LYS 159           HE1      LYS 159 -20.512 -27.064 -33.658
 1247    HZ1  LYS 159           HZ1      LYS 159 -19.978 -24.818 -31.967
 1248    HZ2  LYS 159           HZ2      LYS 159 -19.187 -25.318 -33.384
 1249    HZ3  LYS 159           HZ3      LYS 159 -18.748 -25.982 -31.883
 1250    HA   PRO 160           HA       PRO 160 -26.096 -30.210 -28.860
 1251    HB2  PRO 160           HB2      PRO 160 -24.066 -30.944 -27.093
 1252    HB3  PRO 160           HB1      PRO 160 -25.024 -32.045 -28.064
 1253    HG2  PRO 160           HG2      PRO 160 -22.310 -31.010 -28.565
 1254    HG3  PRO 160           HG1      PRO 160 -22.982 -32.611 -28.915
 1255    HD2  PRO 160           HD2      PRO 160 -22.617 -30.746 -30.853
 1256    HD3  PRO 160           HD1      PRO 160 -23.938 -31.915 -30.910
 1257    H    ILE 161           HN       ILE 161 -23.357 -28.190 -29.340
 1258    HA   ILE 161           HA       ILE 161 -23.850 -26.720 -26.844
 1259    HB   ILE 161           HB       ILE 161 -21.659 -26.383 -28.908
 1260   HG12  ILE 161          HG12      ILE 161 -20.487 -27.480 -26.657
 1261   HG13  ILE 161          HG11      ILE 161 -22.034 -28.316 -26.664
 1262   HG21  ILE 161          HG21      ILE 161 -20.567 -25.335 -26.786
 1263   HG22  ILE 161          HG22      ILE 161 -22.220 -25.205 -26.187
 1264   HG23  ILE 161          HG23      ILE 161 -21.752 -24.387 -27.681
 1265   HD11  ILE 161          HD11      ILE 161 -19.951 -28.248 -28.863
 1266   HD12  ILE 161          HD12      ILE 161 -21.589 -28.852 -29.115
 1267   HD13  ILE 161          HD13      ILE 161 -20.521 -29.650 -27.958
 1268    H    ASP 162           HN       ASP 162 -24.916 -26.724 -29.970
 1269    HA   ASP 162           HA       ASP 162 -24.737 -24.031 -30.736
 1270    HB2  ASP 162           HB2      ASP 162 -26.040 -26.355 -31.758
 1271    HB3  ASP 162           HB1      ASP 162 -27.230 -25.096 -31.694
 1272    H    TRP 163           HN       TRP 163 -26.832 -25.636 -28.458
 1273    HA   TRP 163           HA       TRP 163 -28.457 -23.179 -28.175
 1274    HB2  TRP 163           HB2      TRP 163 -29.891 -24.810 -26.740
 1275    HB3  TRP 163           HB1      TRP 163 -29.948 -24.954 -28.500
 1276    HD1  TRP 163           HD1      TRP 163 -27.541 -26.345 -25.807
 1277    HE1  TRP 163           HE1      TRP 163 -27.204 -28.852 -26.263
 1278    HE3  TRP 163           HE3      TRP 163 -30.543 -26.956 -29.907
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.081 -30.840 -28.056
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.738 -29.192 -30.974
 1281    HH2  TRP 163           HH2      TRP 163 -29.478 -31.118 -30.048
 1282    H    GLY 164           HN       GLY 164 -25.681 -23.794 -27.112
 1283    HA2  GLY 164           HA2      GLY 164 -24.530 -23.117 -25.253
 1284    HA3  GLY 164           HA1      GLY 164 -26.054 -22.532 -24.606
 1285    H    ALA 165           HN       ALA 165 -25.659 -25.939 -25.449
 1286    HA   ALA 165           HA       ALA 165 -25.678 -26.559 -22.534
 1287    HB1  ALA 165           HB1      ALA 165 -26.663 -28.688 -23.087
 1288    HB2  ALA 165           HB2      ALA 165 -26.532 -28.341 -24.795
 1289    HB3  ALA 165           HB3      ALA 165 -27.639 -27.405 -23.794
 1290    H    ALA 166           HN       ALA 166 -24.155 -27.839 -21.680
 1291    HA   ALA 166           HA       ALA 166 -21.738 -28.224 -23.198
 1292    HB1  ALA 166           HB1      ALA 166 -21.522 -27.572 -20.888
 1293    HB2  ALA 166           HB2      ALA 166 -20.904 -29.216 -21.045
 1294    HB3  ALA 166           HB3      ALA 166 -22.503 -28.939 -20.359
 1295    H    SER 167           HN       SER 167 -24.327 -29.773 -23.807
 1296    HA   SER 167           HA       SER 167 -23.170 -32.132 -24.696
 1297    HB2  SER 167           HB2      SER 167 -24.008 -32.182 -21.871
 1298    HB3  SER 167           HB1      SER 167 -24.527 -33.561 -22.827
 1299    HG   SER 167           HG       SER 167 -22.497 -34.012 -22.060
 1300    HA   PRO 168           HA       PRO 168 -27.244 -32.381 -26.535
 1301    HB2  PRO 168           HB2      PRO 168 -27.247 -34.955 -27.469
 1302    HB3  PRO 168           HB1      PRO 168 -26.271 -33.687 -28.209
 1303    HG2  PRO 168           HG2      PRO 168 -25.456 -35.801 -26.294
 1304    HG3  PRO 168           HG1      PRO 168 -24.592 -35.184 -27.716
 1305    HD2  PRO 168           HD2      PRO 168 -23.975 -34.419 -25.143
 1306    HD3  PRO 168           HD1      PRO 168 -23.717 -33.376 -26.557
 1307    H    ALA 169           HN       ALA 169 -26.475 -33.804 -23.666
 1308    HA   ALA 169           HA       ALA 169 -28.646 -35.682 -23.440
 1309    HB1  ALA 169           HB1      ALA 169 -26.905 -34.446 -21.293
 1310    HB2  ALA 169           HB2      ALA 169 -26.529 -35.929 -22.171
 1311    HB3  ALA 169           HB3      ALA 169 -27.938 -35.866 -21.110
 1312    H    VAL 170           HN       VAL 170 -30.230 -33.956 -24.234
 1313    HA   VAL 170           HA       VAL 170 -31.059 -32.157 -22.046
 1314    HB   VAL 170           HB       VAL 170 -32.279 -32.271 -24.796
 1315   HG11  VAL 170          HG11      VAL 170 -31.889 -29.658 -23.482
 1316   HG12  VAL 170          HG12      VAL 170 -32.852 -30.749 -22.501
 1317   HG13  VAL 170          HG13      VAL 170 -33.361 -30.366 -24.136
 1318   HG21  VAL 170          HG21      VAL 170 -29.909 -32.070 -25.213
 1319   HG22  VAL 170          HG22      VAL 170 -29.727 -30.901 -23.905
 1320   HG23  VAL 170          HG23      VAL 170 -30.601 -30.455 -25.370
 1321    H    GLN 171           HN       GLN 171 -33.792 -32.098 -23.072
 1322    HA   GLN 171           HA       GLN 171 -34.858 -34.743 -22.724
 1323    HB2  GLN 171           HB2      GLN 171 -35.265 -32.670 -20.565
 1324    HB3  GLN 171           HB1      GLN 171 -36.376 -34.003 -20.803
 1325    HG2  GLN 171           HG2      GLN 171 -33.427 -34.325 -20.277
 1326    HG3  GLN 171           HG1      GLN 171 -34.677 -34.493 -19.101
 1327   HE21  GLN 171          HE21      GLN 171 -32.940 -36.219 -21.491
 1328   HE22  GLN 171          HE22      GLN 171 -33.922 -37.606 -21.520
 1329    H    SER 172           HN       SER 172 -37.310 -32.987 -21.683
 1330    HA   SER 172           HA       SER 172 -38.359 -32.686 -24.385
 1331    HB2  SER 172           HB2      SER 172 -39.961 -32.354 -21.897
 1332    HB3  SER 172           HB1      SER 172 -40.439 -32.996 -23.473
 1333    HG   SER 172           HG       SER 172 -40.118 -34.811 -22.443
 1334    H    PHE 173           HN       PHE 173 -40.485 -30.924 -23.533
 1335    HA   PHE 173           HA       PHE 173 -39.373 -28.446 -22.737
 1336    HB2  PHE 173           HB2      PHE 173 -39.423 -27.290 -24.913
 1337    HB3  PHE 173           HB1      PHE 173 -38.226 -28.589 -24.888
 1338    HD1  PHE 173           HD1      PHE 173 -41.515 -27.538 -26.153
 1339    HD2  PHE 173           HD2      PHE 173 -38.542 -30.631 -26.144
 1340    HE1  PHE 173           HE1      PHE 173 -42.637 -28.620 -28.075
 1341    HE2  PHE 173           HE2      PHE 173 -39.665 -31.719 -28.067
 1342    HZ   PHE 173           HZ       PHE 173 -41.716 -30.712 -29.034
 1343    H    ARG 174           HN       ARG 174 -40.888 -26.601 -23.761
 1344    HA   ARG 174           HA       ARG 174 -43.615 -27.419 -24.119
 1345    HB2  ARG 174           HB2      ARG 174 -44.395 -26.122 -22.081
 1346    HB3  ARG 174           HB1      ARG 174 -43.677 -27.702 -21.776
 1347    HG2  ARG 174           HG2      ARG 174 -41.698 -26.793 -20.919
 1348    HG3  ARG 174           HG1      ARG 174 -41.915 -25.255 -21.743
 1349    HD2  ARG 174           HD2      ARG 174 -43.638 -26.251 -19.465
 1350    HD3  ARG 174           HD1      ARG 174 -42.334 -25.070 -19.307
 1351    HE   ARG 174           HE       ARG 174 -43.969 -24.041 -21.258
 1352   HH11  ARG 174          HH21      ARG 174 -44.315 -25.144 -18.001
 1353   HH12  ARG 174          HH22      ARG 174 -45.608 -24.057 -17.620
 1354   HH21  ARG 174          HH11      ARG 174 -45.664 -22.610 -20.774
 1355   HH22  ARG 174          HH12      ARG 174 -46.375 -22.619 -19.195
 1356    H    ARG 175           HN       ARG 175 -44.662 -25.888 -25.243
 1357    HA   ARG 175           HA       ARG 175 -43.370 -23.702 -26.353
 1358    HB2  ARG 175           HB2      ARG 175 -46.320 -23.416 -25.956
 1359    HB3  ARG 175           HB1      ARG 175 -45.372 -23.253 -27.418
 1360    HG2  ARG 175           HG2      ARG 175 -46.310 -25.279 -27.964
 1361    HG3  ARG 175           HG1      ARG 175 -45.052 -25.939 -26.944
 1362    HD2  ARG 175           HD2      ARG 175 -47.049 -26.919 -26.145
 1363    HD3  ARG 175           HD1      ARG 175 -46.684 -25.641 -24.991
 1364    HE   ARG 175           HE       ARG 175 -48.414 -24.768 -27.125
 1365   HH11  ARG 175          HH21      ARG 175 -48.185 -26.380 -24.077
 1366   HH12  ARG 175          HH22      ARG 175 -49.813 -26.024 -23.605
 1367   HH21  ARG 175          HH11      ARG 175 -50.557 -24.298 -26.523
 1368   HH22  ARG 175          HH12      ARG 175 -51.160 -24.843 -24.993
 1369    H    ILE 176           HN       ILE 176 -43.021 -21.668 -25.803
 1370    HA   ILE 176           HA       ILE 176 -43.277 -20.842 -23.091
 1371    HB   ILE 176           HB       ILE 176 -42.802 -19.031 -25.455
 1372   HG12  ILE 176          HG12      ILE 176 -40.867 -20.833 -23.973
 1373   HG13  ILE 176          HG11      ILE 176 -41.321 -20.958 -25.670
 1374   HG21  ILE 176          HG21      ILE 176 -41.735 -18.952 -22.621
 1375   HG22  ILE 176          HG22      ILE 176 -43.175 -18.079 -23.140
 1376   HG23  ILE 176          HG23      ILE 176 -41.606 -17.689 -23.845
 1377   HD11  ILE 176          HD11      ILE 176 -40.488 -18.487 -25.801
 1378   HD12  ILE 176          HD12      ILE 176 -39.307 -19.789 -25.801
 1379   HD13  ILE 176          HD13      ILE 176 -39.620 -18.880 -24.324
 1380    H    VAL 177           HN       VAL 177 -44.763 -19.532 -22.101
 1381    HA   VAL 177           HA       VAL 177 -46.961 -18.417 -23.737
 1382    HB   VAL 177           HB       VAL 177 -48.579 -19.210 -22.040
 1383   HG11  VAL 177          HG11      VAL 177 -46.865 -21.358 -23.331
 1384   HG12  VAL 177          HG12      VAL 177 -48.243 -20.539 -24.067
 1385   HG13  VAL 177          HG13      VAL 177 -48.488 -21.616 -22.694
 1386   HG21  VAL 177          HG21      VAL 177 -46.157 -20.695 -20.967
 1387   HG22  VAL 177          HG22      VAL 177 -47.818 -20.962 -20.441
 1388   HG23  VAL 177          HG23      VAL 177 -47.037 -19.410 -20.139
 1389    H    GLU 178           HN       GLU 178 -48.094 -16.690 -22.723
 1390    HA   GLU 178           HA       GLU 178 -47.393 -15.637 -20.180
 1391    HB2  GLU 178           HB2      GLU 178 -45.304 -15.199 -21.599
 1392    HB3  GLU 178           HB1      GLU 178 -46.278 -14.022 -22.474
 1393    HG2  GLU 178           HG2      GLU 178 -45.160 -12.813 -20.743
 1394    HG3  GLU 178           HG1      GLU 178 -46.826 -13.010 -20.204
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1 -38.220   3.116 -26.006
    2    H2   GLY   1           HT2      GLY   1 -39.432   3.877 -25.088
    3    H3   GLY   1           HT3      GLY   1 -37.869   4.544 -25.157
    4    HA2  GLY   1           HA2      GLY   1 -39.001   5.886 -26.624
    5    HA3  GLY   1           HA1      GLY   1 -38.292   4.668 -27.686
    6    H    SER   2           HN       SER   2 -39.864   2.485 -27.284
    7    HA   SER   2           HA       SER   2 -42.673   3.269 -27.612
    8    HB2  SER   2           HB2      SER   2 -42.805   1.915 -29.730
    9    HB3  SER   2           HB1      SER   2 -41.892   3.412 -29.887
   10    HG   SER   2           HG       SER   2 -40.703   1.750 -30.794
   11    H    LYS   3           HN       LYS   3 -44.121   1.576 -27.262
   12    HA   LYS   3           HA       LYS   3 -44.873  -0.341 -26.252
   13    HB2  LYS   3           HB2      LYS   3 -42.373  -1.470 -27.535
   14    HB3  LYS   3           HB1      LYS   3 -43.669  -2.435 -26.825
   15    HG2  LYS   3           HG2      LYS   3 -45.282  -1.466 -28.401
   16    HG3  LYS   3           HG1      LYS   3 -44.012  -0.459 -29.098
   17    HD2  LYS   3           HD2      LYS   3 -42.757  -2.511 -29.721
   18    HD3  LYS   3           HD1      LYS   3 -44.083  -3.490 -29.094
   19    HE2  LYS   3           HE2      LYS   3 -44.317  -1.450 -31.327
   20    HE3  LYS   3           HE1      LYS   3 -44.261  -3.201 -31.544
   21    HZ1  LYS   3           HZ1      LYS   3 -46.254  -3.360 -30.135
   22    HZ2  LYS   3           HZ2      LYS   3 -46.528  -2.470 -31.556
   23    HZ3  LYS   3           HZ3      LYS   3 -46.332  -1.667 -30.072
   24    H    THR   4           HN       THR   4 -41.427  -1.106 -25.950
   25    HA   THR   4           HA       THR   4 -40.226  -1.732 -24.075
   26    HB   THR   4           HB       THR   4 -39.757   0.083 -22.673
   27    HG1  THR   4           HG1      THR   4 -42.265   0.159 -22.300
   28   HG21  THR   4          HG21      THR   4 -41.085   1.583 -24.913
   29   HG22  THR   4          HG22      THR   4 -39.672   0.573 -25.222
   30   HG23  THR   4          HG23      THR   4 -39.560   1.932 -24.105
   31    H    GLY   5           HN       GLY   5 -43.057  -2.662 -24.220
   32    HA2  GLY   5           HA2      GLY   5 -44.189  -2.614 -21.600
   33    HA3  GLY   5           HA1      GLY   5 -44.637  -3.711 -22.903
   34    H    THR   6           HN       THR   6 -41.490  -3.267 -21.327
   35    HA   THR   6           HA       THR   6 -41.677  -5.917 -20.074
   36    HB   THR   6           HB       THR   6 -39.414  -6.490 -20.973
   37    HG1  THR   6           HG1      THR   6 -38.834  -5.245 -22.877
   38   HG21  THR   6          HG21      THR   6 -41.417  -5.950 -23.173
   39   HG22  THR   6          HG22      THR   6 -41.592  -7.260 -22.006
   40   HG23  THR   6          HG23      THR   6 -40.216  -7.240 -23.108
   41    H    LYS   7           HN       LYS   7 -40.723  -5.977 -18.146
   42    HA   LYS   7           HA       LYS   7 -38.513  -4.257 -17.438
   43    HB2  LYS   7           HB2      LYS   7 -40.070  -2.556 -17.031
   44    HB3  LYS   7           HB1      LYS   7 -41.293  -3.684 -16.453
   45    HG2  LYS   7           HG2      LYS   7 -40.208  -3.994 -14.372
   46    HG3  LYS   7           HG1      LYS   7 -38.690  -3.296 -14.974
   47    HD2  LYS   7           HD2      LYS   7 -39.530  -1.106 -14.909
   48    HD3  LYS   7           HD1      LYS   7 -41.204  -1.641 -14.861
   49    HE2  LYS   7           HE2      LYS   7 -41.028  -2.346 -12.600
   50    HE3  LYS   7           HE1      LYS   7 -39.269  -2.299 -12.631
   51    HZ1  LYS   7           HZ1      LYS   7 -39.630   0.181 -13.158
   52    HZ2  LYS   7           HZ2      LYS   7 -39.816  -0.353 -11.555
   53    HZ3  LYS   7           HZ3      LYS   7 -41.183  -0.065 -12.523
   54    H    ILE   8           HN       ILE   8 -37.560  -4.820 -15.429
   55    HA   ILE   8           HA       ILE   8 -38.750  -7.016 -13.913
   56    HB   ILE   8           HB       ILE   8 -37.408  -8.088 -15.719
   57   HG12  ILE   8          HG12      ILE   8 -36.057  -8.509 -13.042
   58   HG13  ILE   8          HG11      ILE   8 -37.731  -9.003 -13.305
   59   HG21  ILE   8          HG21      ILE   8 -35.691  -6.331 -15.907
   60   HG22  ILE   8          HG22      ILE   8 -34.976  -7.908 -15.594
   61   HG23  ILE   8          HG23      ILE   8 -35.100  -6.734 -14.297
   62   HD11  ILE   8          HD11      ILE   8 -35.536  -9.842 -15.202
   63   HD12  ILE   8          HD12      ILE   8 -37.134 -10.554 -14.991
   64   HD13  ILE   8          HD13      ILE   8 -35.903 -10.769 -13.747
   65    H    THR   9           HN       THR   9 -38.142  -7.126 -11.787
   66    HA   THR   9           HA       THR   9 -36.156  -5.136 -10.908
   67    HB   THR   9           HB       THR   9 -38.736  -5.840  -9.501
   68    HG1  THR   9           HG1      THR   9 -38.635  -3.315 -10.091
   69   HG21  THR   9          HG21      THR   9 -38.097  -3.939  -8.035
   70   HG22  THR   9          HG22      THR   9 -36.567  -3.811  -8.897
   71   HG23  THR   9          HG23      THR   9 -36.929  -5.253  -7.953
   72    H    PHE  10           HN       PHE  10 -34.726  -5.747  -9.375
   73    HA   PHE  10           HA       PHE  10 -34.942  -8.516  -8.332
   74    HB2  PHE  10           HB2      PHE  10 -32.401  -6.989  -8.906
   75    HB3  PHE  10           HB1      PHE  10 -32.555  -8.693  -8.483
   76    HD1  PHE  10           HD2      PHE  10 -33.688 -10.265 -10.088
   77    HD2  PHE  10           HD1      PHE  10 -32.668  -6.236 -11.150
   78    HE1  PHE  10           HE2      PHE  10 -33.929 -10.841 -12.487
   79    HE2  PHE  10           HE1      PHE  10 -32.905  -6.805 -13.554
   80    HZ   PHE  10           HZ       PHE  10 -33.537  -9.112 -14.219
   81    H    TYR  11           HN       TYR  11 -35.414  -8.442  -6.223
   82    HA   TYR  11           HA       TYR  11 -34.626  -6.135  -4.604
   83    HB2  TYR  11           HB2      TYR  11 -36.467  -8.482  -4.150
   84    HB3  TYR  11           HB1      TYR  11 -36.102  -7.295  -2.913
   85    HD1  TYR  11           HD2      TYR  11 -36.844  -4.965  -3.120
   86    HD2  TYR  11           HD1      TYR  11 -37.798  -7.901  -6.110
   87    HE1  TYR  11           HE2      TYR  11 -38.595  -3.461  -4.042
   88    HE2  TYR  11           HE1      TYR  11 -39.540  -6.399  -7.029
   89    HH   TYR  11           HH       TYR  11 -40.994  -4.238  -5.712
   90    H    GLU  12           HN       GLU  12 -33.219  -6.188  -3.001
   91    HA   GLU  12           HA       GLU  12 -31.215  -8.136  -2.964
   92    HB2  GLU  12           HB2      GLU  12 -31.263  -5.677  -2.035
   93    HB3  GLU  12           HB1      GLU  12 -31.751  -6.455  -0.534
   94    HG2  GLU  12           HG2      GLU  12 -29.301  -7.315  -2.104
   95    HG3  GLU  12           HG1      GLU  12 -29.248  -6.086  -0.854
   96    H    ASP  13           HN       ASP  13 -33.903  -7.568  -0.701
   97    HA   ASP  13           HA       ASP  13 -33.422 -10.211   0.483
   98    HB2  ASP  13           HB2      ASP  13 -34.857  -7.762   1.406
   99    HB3  ASP  13           HB1      ASP  13 -35.189  -9.323   2.146
  100    H    LYS  14           HN       LYS  14 -35.757 -10.976   1.349
  101    HA   LYS  14           HA       LYS  14 -37.104 -11.763  -1.086
  102    HB2  LYS  14           HB2      LYS  14 -37.466 -12.560   1.797
  103    HB3  LYS  14           HB1      LYS  14 -38.435 -13.204   0.474
  104    HG2  LYS  14           HG2      LYS  14 -36.773 -14.816   0.534
  105    HG3  LYS  14           HG1      LYS  14 -36.029 -13.702  -0.599
  106    HD2  LYS  14           HD2      LYS  14 -34.281 -14.036   0.903
  107    HD3  LYS  14           HD1      LYS  14 -35.035 -12.611   1.606
  108    HE2  LYS  14           HE2      LYS  14 -36.263 -13.991   3.193
  109    HE3  LYS  14           HE1      LYS  14 -35.632 -15.459   2.446
  110    HZ1  LYS  14           HZ1      LYS  14 -34.220 -15.125   4.220
  111    HZ2  LYS  14           HZ2      LYS  14 -34.206 -13.436   4.042
  112    HZ3  LYS  14           HZ3      LYS  14 -33.360 -14.416   2.944
  113    H    ASN  15           HN       ASN  15 -39.613 -12.134  -0.542
  114    HA   ASN  15           HA       ASN  15 -41.612 -11.037  -0.725
  115    HB2  ASN  15           HB2      ASN  15 -40.715  -9.505   1.715
  116    HB3  ASN  15           HB1      ASN  15 -42.328 -10.061   1.290
  117   HD21  ASN  15          HD21      ASN  15 -40.974 -12.714   0.401
  118   HD22  ASN  15          HD22      ASN  15 -40.760 -13.540   1.870
  119    H    PHE  16           HN       PHE  16 -39.179  -9.719  -1.925
  120    HA   PHE  16           HA       PHE  16 -38.672  -7.819  -3.041
  121    HB2  PHE  16           HB2      PHE  16 -41.438  -6.739  -2.651
  122    HB3  PHE  16           HB1      PHE  16 -40.409  -6.692  -4.085
  123    HD1  PHE  16           HD2      PHE  16 -39.943  -8.843  -5.314
  124    HD2  PHE  16           HD1      PHE  16 -42.992  -8.502  -2.321
  125    HE1  PHE  16           HE2      PHE  16 -41.028 -10.886  -6.178
  126    HE2  PHE  16           HE1      PHE  16 -44.084 -10.548  -3.201
  127    HZ   PHE  16           HZ       PHE  16 -43.097 -11.738  -5.135
  128    H    GLN  17           HN       GLN  17 -37.983  -7.760  -0.372
  129    HA   GLN  17           HA       GLN  17 -38.567  -4.978   0.436
  130    HB2  GLN  17           HB2      GLN  17 -38.386  -5.612   2.705
  131    HB3  GLN  17           HB1      GLN  17 -39.345  -6.890   1.961
  132    HG2  GLN  17           HG2      GLN  17 -37.081  -8.084   1.605
  133    HG3  GLN  17           HG1      GLN  17 -36.454  -6.950   2.799
  134   HE21  GLN  17          HE21      GLN  17 -38.433  -9.805   2.331
  135   HE22  GLN  17          HE22      GLN  17 -38.751 -10.081   3.980
  136    H    GLY  18           HN       GLY  18 -36.862  -3.870   1.523
  137    HA2  GLY  18           HA2      GLY  18 -34.631  -3.285   1.887
  138    HA3  GLY  18           HA1      GLY  18 -34.141  -4.809   1.176
  139    H    ARG  19           HN       ARG  19 -32.580  -3.833  -0.036
  140    HA   ARG  19           HA       ARG  19 -32.881  -1.635  -1.765
  141    HB2  ARG  19           HB2      ARG  19 -30.813  -3.492  -1.203
  142    HB3  ARG  19           HB1      ARG  19 -31.075  -3.610  -2.939
  143    HG2  ARG  19           HG2      ARG  19 -30.797  -1.203  -3.190
  144    HG3  ARG  19           HG1      ARG  19 -30.615  -1.017  -1.445
  145    HD2  ARG  19           HD2      ARG  19 -28.608  -2.403  -1.477
  146    HD3  ARG  19           HD1      ARG  19 -28.808  -2.692  -3.204
  147    HE   ARG  19           HE       ARG  19 -28.727   0.064  -2.892
  148   HH11  ARG  19          HH21      ARG  19 -26.735  -2.676  -2.212
  149   HH12  ARG  19          HH22      ARG  19 -25.246  -1.816  -2.408
  150   HH21  ARG  19          HH11      ARG  19 -26.791   1.201  -3.152
  151   HH22  ARG  19          HH12      ARG  19 -25.277   0.387  -2.942
  152    H    ARG  20           HN       ARG  20 -32.674  -1.918  -4.299
  153    HA   ARG  20           HA       ARG  20 -33.924  -4.140  -5.490
  154    HB2  ARG  20           HB2      ARG  20 -36.071  -3.233  -6.055
  155    HB3  ARG  20           HB1      ARG  20 -35.887  -3.119  -4.307
  156    HG2  ARG  20           HG2      ARG  20 -36.445  -0.911  -4.570
  157    HG3  ARG  20           HG1      ARG  20 -34.789  -0.706  -5.140
  158    HD2  ARG  20           HD2      ARG  20 -35.711  -1.352  -7.467
  159    HD3  ARG  20           HD1      ARG  20 -37.301  -1.056  -6.769
  160    HE   ARG  20           HE       ARG  20 -35.517   1.133  -6.281
  161   HH11  ARG  20          HH21      ARG  20 -37.522  -0.426  -8.618
  162   HH12  ARG  20          HH22      ARG  20 -37.838   1.017  -9.522
  163   HH21  ARG  20          HH11      ARG  20 -35.919   3.037  -7.453
  164   HH22  ARG  20          HH12      ARG  20 -36.926   2.985  -8.861
  165    H    TYR  21           HN       TYR  21 -34.015  -3.904  -7.809
  166    HA   TYR  21           HA       TYR  21 -32.906  -1.384  -8.890
  167    HB2  TYR  21           HB2      TYR  21 -31.081  -3.133  -8.637
  168    HB3  TYR  21           HB1      TYR  21 -31.974  -4.114  -9.802
  169    HD1  TYR  21           HD1      TYR  21 -30.612  -0.663  -9.332
  170    HD2  TYR  21           HD2      TYR  21 -31.612  -3.783 -12.107
  171    HE1  TYR  21           HE1      TYR  21 -29.613   0.658 -11.173
  172    HE2  TYR  21           HE2      TYR  21 -30.617  -2.459 -13.953
  173    HH   TYR  21           HH       TYR  21 -30.206   0.289 -14.233
  174    H    ASP  22           HN       ASP  22 -33.942  -0.736 -10.720
  175    HA   ASP  22           HA       ASP  22 -35.826  -2.654 -11.992
  176    HB2  ASP  22           HB2      ASP  22 -37.283  -0.718 -12.446
  177    HB3  ASP  22           HB1      ASP  22 -37.037  -0.950 -10.716
  178    H    CYS  23           HN       CYS  23 -35.784  -2.814 -14.177
  179    HA   CYS  23           HA       CYS  23 -34.404  -0.803 -15.784
  180    HB2  CYS  23           HB2      CYS  23 -33.446  -3.336 -16.738
  181    HB3  CYS  23           HB1      CYS  23 -32.501  -2.012 -16.058
  182    HG   CYS  23           HG       CYS  23 -33.437  -3.295 -13.669
  183    H    ASP  24           HN       ASP  24 -35.159  -0.683 -17.839
  184    HA   ASP  24           HA       ASP  24 -37.249  -2.611 -18.653
  185    HB2  ASP  24           HB2      ASP  24 -38.023  -0.267 -17.897
  186    HB3  ASP  24           HB1      ASP  24 -37.273   0.320 -19.381
  187    H    CYS  25           HN       CYS  25 -34.235  -2.058 -19.267
  188    HA   CYS  25           HA       CYS  25 -34.500  -2.560 -22.140
  189    HB2  CYS  25           HB2      CYS  25 -32.896  -0.245 -21.024
  190    HB3  CYS  25           HB1      CYS  25 -32.765  -0.846 -22.676
  191    HG   CYS  25           HG       CYS  25 -35.373   0.436 -21.512
  192    H    ASP  26           HN       ASP  26 -32.764  -3.695 -23.009
  193    HA   ASP  26           HA       ASP  26 -31.442  -5.573 -21.608
  194    HB2  ASP  26           HB2      ASP  26 -31.401  -5.148 -24.128
  195    HB3  ASP  26           HB1      ASP  26 -30.041  -4.073 -23.820
  196    H    CYS  27           HN       CYS  27 -29.283  -5.816 -20.761
  197    HA   CYS  27           HA       CYS  27 -27.719  -3.441 -20.181
  198    HB2  CYS  27           HB2      CYS  27 -29.387  -3.339 -18.393
  199    HB3  CYS  27           HB1      CYS  27 -29.036  -5.009 -17.950
  200    HG   CYS  27           HG       CYS  27 -27.601  -2.871 -16.710
  201    H    ALA  28           HN       ALA  28 -25.678  -4.017 -19.060
  202    HA   ALA  28           HA       ALA  28 -24.764  -6.658 -19.971
  203    HB1  ALA  28           HB1      ALA  28 -22.553  -5.799 -19.711
  204    HB2  ALA  28           HB2      ALA  28 -23.125  -4.437 -18.748
  205    HB3  ALA  28           HB3      ALA  28 -23.505  -4.520 -20.468
  206    H    ASP  29           HN       ASP  29 -24.392  -4.658 -17.046
  207    HA   ASP  29           HA       ASP  29 -24.807  -6.998 -15.339
  208    HB2  ASP  29           HB2      ASP  29 -22.383  -7.028 -15.844
  209    HB3  ASP  29           HB1      ASP  29 -22.253  -5.388 -15.206
  210    H    PHE  30           HN       PHE  30 -26.299  -6.291 -13.988
  211    HA   PHE  30           HA       PHE  30 -26.186  -3.512 -12.994
  212    HB2  PHE  30           HB2      PHE  30 -28.483  -3.556 -12.787
  213    HB3  PHE  30           HB1      PHE  30 -28.304  -4.745 -14.076
  214    HD1  PHE  30           HD2      PHE  30 -28.226  -7.200 -13.456
  215    HD2  PHE  30           HD1      PHE  30 -29.346  -4.158 -10.667
  216    HE1  PHE  30           HE2      PHE  30 -29.266  -8.925 -12.003
  217    HE2  PHE  30           HE1      PHE  30 -30.388  -5.860  -9.214
  218    HZ   PHE  30           HZ       PHE  30 -30.357  -8.252  -9.878
  219    H    HIS  31           HN       HIS  31 -24.870  -6.273 -12.144
  220    HA   HIS  31           HA       HIS  31 -25.700  -6.829  -9.527
  221    HB2  HIS  31           HB2      HIS  31 -24.229  -8.338 -10.755
  222    HB3  HIS  31           HB1      HIS  31 -22.946  -7.123 -10.735
  223    HD2  HIS  31           HD2      HIS  31 -21.558  -6.917  -8.284
  224    HE1  HIS  31           HE1      HIS  31 -23.770  -9.858  -6.213
  225    HE2  HIS  31           HE2      HIS  31 -21.732  -8.349  -6.107
  226    H    THR  32           HN       THR  32 -23.683  -4.337 -10.840
  227    HA   THR  32           HA       THR  32 -22.364  -3.523  -8.493
  228    HB   THR  32           HB       THR  32 -22.140  -1.319  -9.611
  229    HG1  THR  32           HG1      THR  32 -23.706  -2.499 -11.650
  230   HG21  THR  32          HG21      THR  32 -21.749  -3.747 -11.380
  231   HG22  THR  32          HG22      THR  32 -20.600  -3.125 -10.196
  232   HG23  THR  32          HG23      THR  32 -20.983  -2.179 -11.633
  233    H    TYR  33           HN       TYR  33 -25.619  -2.977  -9.616
  234    HA   TYR  33           HA       TYR  33 -26.175  -0.956  -7.587
  235    HB2  TYR  33           HB2      TYR  33 -27.956  -2.301  -9.621
  236    HB3  TYR  33           HB1      TYR  33 -28.446  -0.993  -8.549
  237    HD1  TYR  33           HD2      TYR  33 -27.018   1.184  -8.602
  238    HD2  TYR  33           HD1      TYR  33 -26.964  -1.792 -11.692
  239    HE1  TYR  33           HE2      TYR  33 -26.077   2.845 -10.186
  240    HE2  TYR  33           HE1      TYR  33 -26.021  -0.137 -13.277
  241    HH   TYR  33           HH       TYR  33 -26.141   2.595 -13.363
  242    H    LEU  34           HN       LEU  34 -26.246  -4.347  -7.872
  243    HA   LEU  34           HA       LEU  34 -27.667  -4.533  -5.304
  244    HB2  LEU  34           HB2      LEU  34 -29.237  -4.965  -7.293
  245    HB3  LEU  34           HB1      LEU  34 -28.310  -6.440  -7.548
  246    HG   LEU  34           HG       LEU  34 -28.788  -7.092  -5.194
  247   HD11  LEU  34          HD11      LEU  34 -29.325  -5.301  -3.869
  248   HD12  LEU  34          HD12      LEU  34 -30.967  -5.708  -4.353
  249   HD13  LEU  34          HD13      LEU  34 -30.099  -4.419  -5.185
  250   HD21  LEU  34          HD21      LEU  34 -30.206  -8.109  -6.792
  251   HD22  LEU  34          HD22      LEU  34 -31.047  -6.596  -7.115
  252   HD23  LEU  34          HD23      LEU  34 -31.322  -7.443  -5.597
  253    H    SER  35           HN       SER  35 -26.863  -6.053  -3.926
  254    HA   SER  35           HA       SER  35 -24.462  -7.505  -4.855
  255    HB2  SER  35           HB2      SER  35 -24.439  -5.911  -2.839
  256    HB3  SER  35           HB1      SER  35 -25.336  -7.169  -1.991
  257    HG   SER  35           HG       SER  35 -23.177  -8.092  -3.409
  258    H    ARG  36           HN       ARG  36 -27.720  -8.030  -4.208
  259    HA   ARG  36           HA       ARG  36 -27.336 -10.909  -4.308
  260    HB2  ARG  36           HB2      ARG  36 -27.308 -10.141  -1.837
  261    HB3  ARG  36           HB1      ARG  36 -29.025  -9.818  -2.064
  262    HG2  ARG  36           HG2      ARG  36 -29.264 -12.188  -2.908
  263    HG3  ARG  36           HG1      ARG  36 -27.601 -12.466  -2.389
  264    HD2  ARG  36           HD2      ARG  36 -29.941 -11.656  -0.652
  265    HD3  ARG  36           HD1      ARG  36 -29.061 -13.179  -0.602
  266    HE   ARG  36           HE       ARG  36 -27.379 -10.883  -0.141
  267   HH11  ARG  36          HH21      ARG  36 -29.596 -13.152   1.241
  268   HH12  ARG  36          HH22      ARG  36 -28.981 -12.984   2.851
  269   HH21  ARG  36          HH11      ARG  36 -26.568 -10.655   1.969
  270   HH22  ARG  36          HH12      ARG  36 -27.267 -11.569   3.264
  271    H    CYS  37           HN       CYS  37 -29.104 -11.965  -5.196
  272    HA   CYS  37           HA       CYS  37 -31.346 -10.225  -6.074
  273    HB2  CYS  37           HB2      CYS  37 -31.612 -12.062  -7.822
  274    HB3  CYS  37           HB1      CYS  37 -30.170 -11.054  -7.967
  275    HG   CYS  37           HG       CYS  37 -30.134 -14.020  -7.510
  276    H    ASN  38           HN       ASN  38 -32.911 -10.477  -4.615
  277    HA   ASN  38           HA       ASN  38 -33.920 -13.203  -4.094
  278    HB2  ASN  38           HB2      ASN  38 -33.719 -10.880  -2.185
  279    HB3  ASN  38           HB1      ASN  38 -34.648 -12.336  -1.869
  280   HD21  ASN  38          HD21      ASN  38 -32.716 -11.964  -0.034
  281   HD22  ASN  38          HD22      ASN  38 -31.363 -12.954  -0.324
  282    H    SER  39           HN       SER  39 -36.171 -13.253  -3.768
  283    HA   SER  39           HA       SER  39 -38.199 -12.901  -4.765
  284    HB2  SER  39           HB2      SER  39 -39.263 -10.811  -3.793
  285    HB3  SER  39           HB1      SER  39 -38.616 -11.968  -2.663
  286    HG   SER  39           HG       SER  39 -37.684 -10.142  -1.989
  287    H    ILE  40           HN       ILE  40 -39.082 -12.338  -6.588
  288    HA   ILE  40           HA       ILE  40 -38.246  -9.831  -7.922
  289    HB   ILE  40           HB       ILE  40 -37.869 -12.621  -8.976
  290   HG12  ILE  40          HG12      ILE  40 -36.004 -10.267  -9.329
  291   HG13  ILE  40          HG11      ILE  40 -36.017 -11.149  -7.805
  292   HG21  ILE  40          HG21      ILE  40 -37.319 -11.393 -11.200
  293   HG22  ILE  40          HG22      ILE  40 -38.315 -10.091 -10.546
  294   HG23  ILE  40          HG23      ILE  40 -39.012 -11.691 -10.802
  295   HD11  ILE  40          HD11      ILE  40 -35.734 -13.280  -9.282
  296   HD12  ILE  40          HD12      ILE  40 -34.340 -12.230  -9.072
  297   HD13  ILE  40          HD13      ILE  40 -35.285 -12.148 -10.556
  298    H    LYS  41           HN       LYS  41 -39.698  -8.968  -9.321
  299    HA   LYS  41           HA       LYS  41 -42.056 -10.471 -10.149
  300    HB2  LYS  41           HB2      LYS  41 -43.531  -8.558  -9.226
  301    HB3  LYS  41           HB1      LYS  41 -42.987  -9.818  -8.121
  302    HG2  LYS  41           HG2      LYS  41 -41.385  -8.458  -7.139
  303    HG3  LYS  41           HG1      LYS  41 -41.342  -7.339  -8.477
  304    HD2  LYS  41           HD2      LYS  41 -42.546  -6.522  -6.375
  305    HD3  LYS  41           HD1      LYS  41 -43.434  -6.376  -7.889
  306    HE2  LYS  41           HE2      LYS  41 -44.874  -8.131  -7.370
  307    HE3  LYS  41           HE1      LYS  41 -43.755  -8.869  -6.223
  308    HZ1  LYS  41           HZ1      LYS  41 -44.407  -6.242  -5.398
  309    HZ2  LYS  41           HZ2      LYS  41 -44.672  -7.711  -4.585
  310    HZ3  LYS  41           HZ3      LYS  41 -45.836  -7.116  -5.670
  311    H    VAL  42           HN       VAL  42 -41.758 -10.070 -12.291
  312    HA   VAL  42           HA       VAL  42 -40.812  -7.643 -13.302
  313    HB   VAL  42           HB       VAL  42 -42.215 -10.053 -14.417
  314   HG11  VAL  42          HG11      VAL  42 -43.183  -8.500 -15.847
  315   HG12  VAL  42          HG12      VAL  42 -41.719  -8.890 -16.712
  316   HG13  VAL  42          HG13      VAL  42 -41.830  -7.418 -15.791
  317   HG21  VAL  42          HG21      VAL  42 -40.132 -10.410 -15.578
  318   HG22  VAL  42          HG22      VAL  42 -39.742 -10.041 -13.900
  319   HG23  VAL  42          HG23      VAL  42 -39.548  -8.808 -15.142
  320    H    GLU  43           HN       GLU  43 -41.879  -6.029 -14.412
  321    HA   GLU  43           HA       GLU  43 -44.767  -5.723 -13.833
  322    HB2  GLU  43           HB2      GLU  43 -42.592  -3.620 -13.814
  323    HB3  GLU  43           HB1      GLU  43 -44.316  -3.301 -13.645
  324    HG2  GLU  43           HG2      GLU  43 -44.368  -4.793 -11.659
  325    HG3  GLU  43           HG1      GLU  43 -42.628  -5.002 -11.801
  326    H    GLY  44           HN       GLY  44 -44.125  -6.956 -16.142
  327    HA2  GLY  44           HA2      GLY  44 -45.157  -5.166 -18.112
  328    HA3  GLY  44           HA1      GLY  44 -43.443  -5.453 -18.371
  329    H    GLY  45           HN       GLY  45 -42.746  -7.426 -19.157
  330    HA2  GLY  45           HA2      GLY  45 -44.795  -9.484 -19.747
  331    HA3  GLY  45           HA1      GLY  45 -43.729  -8.875 -21.013
  332    H    THR  46           HN       THR  46 -42.579 -10.731 -21.442
  333    HA   THR  46           HA       THR  46 -41.457 -12.324 -19.306
  334    HB   THR  46           HB       THR  46 -41.168 -12.450 -22.314
  335    HG1  THR  46           HG1      THR  46 -42.378 -14.439 -21.801
  336   HG21  THR  46          HG21      THR  46 -40.288 -14.794 -21.735
  337   HG22  THR  46          HG22      THR  46 -40.021 -14.163 -20.112
  338   HG23  THR  46          HG23      THR  46 -39.180 -13.446 -21.489
  339    H    TRP  47           HN       TRP  47 -39.087 -12.876 -19.376
  340    HA   TRP  47           HA       TRP  47 -37.290 -10.800 -20.339
  341    HB2  TRP  47           HB2      TRP  47 -38.100 -11.112 -17.491
  342    HB3  TRP  47           HB1      TRP  47 -36.382 -10.843 -17.780
  343    HD1  TRP  47           HD1      TRP  47 -39.581  -9.116 -17.475
  344    HE1  TRP  47           HE1      TRP  47 -39.292  -6.618 -18.035
  345    HE3  TRP  47           HE3      TRP  47 -35.019  -9.239 -19.715
  346    HZ2  TRP  47           HZ2      TRP  47 -37.417  -4.918 -19.372
  347    HZ3  TRP  47           HZ3      TRP  47 -34.005  -7.175 -20.632
  348    HH2  TRP  47           HH2      TRP  47 -35.200  -5.018 -20.466
  349    H    ALA  48           HN       ALA  48 -35.101 -11.375 -20.168
  350    HA   ALA  48           HA       ALA  48 -34.597 -14.262 -19.727
  351    HB1  ALA  48           HB1      ALA  48 -34.196 -13.897 -22.008
  352    HB2  ALA  48           HB2      ALA  48 -32.595 -13.757 -21.288
  353    HB3  ALA  48           HB3      ALA  48 -33.496 -12.307 -21.726
  354    H    VAL  49           HN       VAL  49 -33.469 -14.611 -17.938
  355    HA   VAL  49           HA       VAL  49 -31.597 -12.504 -16.994
  356    HB   VAL  49           HB       VAL  49 -31.968 -13.643 -14.738
  357   HG11  VAL  49          HG11      VAL  49 -33.029 -11.474 -15.469
  358   HG12  VAL  49          HG12      VAL  49 -34.000 -12.384 -14.313
  359   HG13  VAL  49          HG13      VAL  49 -34.420 -12.403 -16.025
  360   HG21  VAL  49          HG21      VAL  49 -32.960 -15.729 -15.678
  361   HG22  VAL  49          HG22      VAL  49 -34.350 -14.793 -16.226
  362   HG23  VAL  49          HG23      VAL  49 -34.021 -14.960 -14.501
  363    H    TYR  50           HN       TYR  50 -29.514 -13.018 -16.823
  364    HA   TYR  50           HA       TYR  50 -28.712 -15.842 -17.208
  365    HB2  TYR  50           HB2      TYR  50 -27.151 -13.271 -17.590
  366    HB3  TYR  50           HB1      TYR  50 -26.553 -14.898 -17.920
  367    HD1  TYR  50           HD1      TYR  50 -29.163 -12.419 -18.868
  368    HD2  TYR  50           HD2      TYR  50 -27.071 -16.003 -19.969
  369    HE1  TYR  50           HE1      TYR  50 -30.185 -12.320 -21.124
  370    HE2  TYR  50           HE2      TYR  50 -28.098 -15.908 -22.227
  371    HH   TYR  50           HH       TYR  50 -29.070 -14.079 -23.723
  372    H    GLU  51           HN       GLU  51 -28.328 -16.822 -15.330
  373    HA   GLU  51           HA       GLU  51 -28.052 -15.872 -12.827
  374    HB2  GLU  51           HB2      GLU  51 -28.002 -18.274 -13.439
  375    HB3  GLU  51           HB1      GLU  51 -26.330 -18.080 -13.965
  376    HG2  GLU  51           HG2      GLU  51 -25.686 -17.386 -11.683
  377    HG3  GLU  51           HG1      GLU  51 -27.361 -17.558 -11.163
  378    H    ARG  52           HN       ARG  52 -25.554 -15.836 -15.304
  379    HA   ARG  52           HA       ARG  52 -23.767 -14.412 -13.429
  380    HB2  ARG  52           HB2      ARG  52 -23.116 -16.035 -15.895
  381    HB3  ARG  52           HB1      ARG  52 -21.936 -15.090 -14.995
  382    HG2  ARG  52           HG2      ARG  52 -22.392 -16.394 -12.982
  383    HG3  ARG  52           HG1      ARG  52 -23.639 -17.305 -13.820
  384    HD2  ARG  52           HD2      ARG  52 -21.733 -17.895 -15.509
  385    HD3  ARG  52           HD1      ARG  52 -20.655 -17.373 -14.220
  386    HE   ARG  52           HE       ARG  52 -22.669 -19.302 -13.404
  387   HH11  ARG  52          HH21      ARG  52 -19.497 -18.713 -14.638
  388   HH12  ARG  52          HH22      ARG  52 -18.857 -20.237 -14.119
  389   HH21  ARG  52          HH11      ARG  52 -21.847 -21.305 -12.717
  390   HH22  ARG  52          HH12      ARG  52 -20.190 -21.706 -13.029
  391    HA   PRO  53           HA       PRO  53 -24.246 -10.790 -15.964
  392    HB2  PRO  53           HB2      PRO  53 -21.853  -9.529 -15.468
  393    HB3  PRO  53           HB1      PRO  53 -23.161  -9.593 -14.276
  394    HG2  PRO  53           HG2      PRO  53 -20.722 -11.302 -14.490
  395    HG3  PRO  53           HG1      PRO  53 -21.458 -10.566 -13.053
  396    HD2  PRO  53           HD2      PRO  53 -21.835 -13.177 -13.662
  397    HD3  PRO  53           HD1      PRO  53 -23.114 -12.206 -12.888
  398    H    ASN  54           HN       ASN  54 -23.472  -9.797 -17.878
  399    HA   ASN  54           HA       ASN  54 -22.225  -9.578 -19.801
  400    HB2  ASN  54           HB2      ASN  54 -20.697 -12.105 -19.214
  401    HB3  ASN  54           HB1      ASN  54 -20.223 -10.718 -20.186
  402   HD21  ASN  54          HD21      ASN  54 -20.853  -8.600 -18.453
  403   HD22  ASN  54          HD22      ASN  54 -19.869  -8.693 -17.074
  404    H    PHE  55           HN       PHE  55 -24.257 -12.004 -18.832
  405    HA   PHE  55           HA       PHE  55 -25.847 -13.106 -20.092
  406    HB2  PHE  55           HB2      PHE  55 -24.176 -12.797 -22.584
  407    HB3  PHE  55           HB1      PHE  55 -25.908 -13.056 -22.440
  408    HD1  PHE  55           HD2      PHE  55 -26.990 -11.208 -20.666
  409    HD2  PHE  55           HD1      PHE  55 -23.658 -10.607 -23.313
  410    HE1  PHE  55           HE2      PHE  55 -27.405  -8.780 -20.627
  411    HE2  PHE  55           HE1      PHE  55 -24.079  -8.160 -23.274
  412    HZ   PHE  55           HZ       PHE  55 -25.953  -7.247 -21.933
  413    H    ALA  56           HN       ALA  56 -24.408 -14.558 -18.554
  414    HA   ALA  56           HA       ALA  56 -23.875 -16.972 -20.105
  415    HB1  ALA  56           HB1      ALA  56 -21.709 -17.341 -18.926
  416    HB2  ALA  56           HB2      ALA  56 -21.798 -15.683 -18.334
  417    HB3  ALA  56           HB3      ALA  56 -21.673 -15.994 -20.065
  418    H    GLY  57           HN       GLY  57 -23.149 -18.764 -18.418
  419    HA2  GLY  57           HA2      GLY  57 -23.765 -20.070 -16.624
  420    HA3  GLY  57           HA1      GLY  57 -23.932 -18.571 -15.730
  421    H    TYR  58           HN       TYR  58 -25.552 -21.240 -16.499
  422    HA   TYR  58           HA       TYR  58 -27.812 -21.680 -17.171
  423    HB2  TYR  58           HB2      TYR  58 -28.070 -20.341 -14.482
  424    HB3  TYR  58           HB1      TYR  58 -29.033 -21.668 -15.123
  425    HD1  TYR  58           HD1      TYR  58 -25.507 -20.746 -14.252
  426    HD2  TYR  58           HD2      TYR  58 -28.404 -23.883 -14.684
  427    HE1  TYR  58           HE1      TYR  58 -23.891 -22.368 -13.305
  428    HE2  TYR  58           HE2      TYR  58 -26.791 -25.505 -13.736
  429    HH   TYR  58           HH       TYR  58 -23.777 -24.482 -12.305
  430    H    MET  59           HN       MET  59 -28.826 -20.545 -18.751
  431    HA   MET  59           HA       MET  59 -29.689 -17.779 -18.185
  432    HB2  MET  59           HB2      MET  59 -30.013 -19.163 -20.836
  433    HB3  MET  59           HB1      MET  59 -29.789 -17.448 -20.491
  434    HG2  MET  59           HG2      MET  59 -27.663 -18.035 -21.258
  435    HG3  MET  59           HG1      MET  59 -27.459 -18.255 -19.521
  436    HE1  MET  59           HE1      MET  59 -25.381 -21.032 -21.297
  437    HE2  MET  59           HE2      MET  59 -25.433 -19.329 -20.848
  438    HE3  MET  59           HE3      MET  59 -26.045 -19.836 -22.421
  439    H    TYR  60           HN       TYR  60 -31.523 -17.878 -17.019
  440    HA   TYR  60           HA       TYR  60 -33.708 -19.649 -17.924
  441    HB2  TYR  60           HB2      TYR  60 -32.947 -18.421 -15.297
  442    HB3  TYR  60           HB1      TYR  60 -34.655 -18.733 -15.601
  443    HD1  TYR  60           HD1      TYR  60 -31.342 -20.457 -16.075
  444    HD2  TYR  60           HD2      TYR  60 -35.473 -20.824 -14.957
  445    HE1  TYR  60           HE1      TYR  60 -30.996 -22.862 -15.572
  446    HE2  TYR  60           HE2      TYR  60 -35.125 -23.224 -14.455
  447    HH   TYR  60           HH       TYR  60 -33.001 -24.660 -13.758
  448    H    ILE  61           HN       ILE  61 -35.767 -18.855 -18.251
  449    HA   ILE  61           HA       ILE  61 -35.886 -15.980 -18.940
  450    HB   ILE  61           HB       ILE  61 -37.345 -18.397 -20.009
  451   HG12  ILE  61          HG12      ILE  61 -36.399 -17.482 -22.167
  452   HG13  ILE  61          HG11      ILE  61 -35.525 -16.288 -21.217
  453   HG21  ILE  61          HG21      ILE  61 -37.990 -15.460 -20.268
  454   HG22  ILE  61          HG22      ILE  61 -39.082 -16.797 -19.918
  455   HG23  ILE  61          HG23      ILE  61 -38.426 -16.596 -21.542
  456   HD11  ILE  61          HD11      ILE  61 -35.176 -19.130 -20.371
  457   HD12  ILE  61          HD12      ILE  61 -34.002 -17.818 -20.442
  458   HD13  ILE  61          HD13      ILE  61 -34.457 -18.670 -21.912
  459    H    LEU  62           HN       LEU  62 -36.591 -15.050 -17.035
  460    HA   LEU  62           HA       LEU  62 -38.662 -16.246 -15.485
  461    HB2  LEU  62           HB2      LEU  62 -36.779 -14.100 -15.193
  462    HB3  LEU  62           HB1      LEU  62 -38.381 -13.474 -14.809
  463    HG   LEU  62           HG       LEU  62 -37.383 -16.090 -13.628
  464   HD11  LEU  62          HD11      LEU  62 -35.724 -14.518 -12.961
  465   HD12  LEU  62          HD12      LEU  62 -36.834 -14.666 -11.598
  466   HD13  LEU  62          HD13      LEU  62 -36.926 -13.262 -12.660
  467   HD21  LEU  62          HD21      LEU  62 -39.211 -14.270 -12.135
  468   HD22  LEU  62          HD22      LEU  62 -39.286 -16.015 -12.359
  469   HD23  LEU  62          HD23      LEU  62 -39.892 -14.943 -13.618
  470    HA   PRO  63           HA       PRO  63 -41.732 -14.328 -18.217
  471    HB2  PRO  63           HB2      PRO  63 -43.885 -15.805 -17.511
  472    HB3  PRO  63           HB1      PRO  63 -42.574 -16.464 -18.510
  473    HG2  PRO  63           HG2      PRO  63 -43.142 -16.887 -15.616
  474    HG3  PRO  63           HG1      PRO  63 -42.495 -18.018 -16.818
  475    HD2  PRO  63           HD2      PRO  63 -40.955 -16.585 -14.940
  476    HD3  PRO  63           HD1      PRO  63 -40.340 -17.393 -16.398
  477    H    GLN  64           HN       GLN  64 -43.767 -13.114 -17.960
  478    HA   GLN  64           HA       GLN  64 -43.740 -11.277 -15.870
  479    HB2  GLN  64           HB2      GLN  64 -45.034 -11.300 -18.166
  480    HB3  GLN  64           HB1      GLN  64 -46.331 -12.029 -17.220
  481    HG2  GLN  64           HG2      GLN  64 -45.003  -9.353 -16.742
  482    HG3  GLN  64           HG1      GLN  64 -46.665  -9.636 -17.230
  483   HE21  GLN  64          HE21      GLN  64 -44.659  -9.174 -14.495
  484   HE22  GLN  64          HE22      GLN  64 -45.770  -9.679 -13.317
  485    H    GLY  65           HN       GLY  65 -44.029 -11.660 -13.772
  486    HA2  GLY  65           HA2      GLY  65 -46.363 -12.629 -12.620
  487    HA3  GLY  65           HA1      GLY  65 -45.258 -13.996 -12.718
  488    H    GLU  66           HN       GLU  66 -45.909 -13.413 -10.248
  489    HA   GLU  66           HA       GLU  66 -43.897 -11.585  -9.132
  490    HB2  GLU  66           HB2      GLU  66 -46.325 -12.902  -7.910
  491    HB3  GLU  66           HB1      GLU  66 -45.175 -11.912  -7.009
  492    HG2  GLU  66           HG2      GLU  66 -45.620 -10.012  -8.498
  493    HG3  GLU  66           HG1      GLU  66 -46.744 -10.999  -9.430
  494    H    TYR  67           HN       TYR  67 -42.577 -12.259  -7.403
  495    HA   TYR  67           HA       TYR  67 -42.325 -15.113  -6.880
  496    HB2  TYR  67           HB2      TYR  67 -39.955 -13.559  -7.913
  497    HB3  TYR  67           HB1      TYR  67 -40.003 -15.242  -7.466
  498    HD1  TYR  67           HD1      TYR  67 -41.408 -12.802  -9.951
  499    HD2  TYR  67           HD2      TYR  67 -40.781 -16.927  -8.975
  500    HE1  TYR  67           HE1      TYR  67 -42.145 -13.440 -12.198
  501    HE2  TYR  67           HE2      TYR  67 -41.518 -17.566 -11.235
  502    HH   TYR  67           HH       TYR  67 -41.871 -15.292 -13.746
  503    HA   PRO  68           HA       PRO  68 -41.916 -12.482  -3.099
  504    HB2  PRO  68           HB2      PRO  68 -42.713 -15.068  -1.867
  505    HB3  PRO  68           HB1      PRO  68 -43.366 -13.440  -1.608
  506    HG2  PRO  68           HG2      PRO  68 -44.714 -15.279  -3.007
  507    HG3  PRO  68           HG1      PRO  68 -44.761 -13.560  -3.438
  508    HD2  PRO  68           HD2      PRO  68 -43.253 -15.793  -4.762
  509    HD3  PRO  68           HD1      PRO  68 -44.038 -14.372  -5.489
  510    H    GLU  69           HN       GLU  69 -40.440 -15.420  -4.112
  511    HA   GLU  69           HA       GLU  69 -38.116 -14.795  -2.454
  512    HB2  GLU  69           HB2      GLU  69 -39.597 -17.440  -2.350
  513    HB3  GLU  69           HB1      GLU  69 -37.969 -17.193  -1.720
  514    HG2  GLU  69           HG2      GLU  69 -38.837 -15.415  -0.221
  515    HG3  GLU  69           HG1      GLU  69 -40.459 -15.707  -0.825
  516    H    TYR  70           HN       TYR  70 -36.246 -16.064  -3.129
  517    HA   TYR  70           HA       TYR  70 -35.971 -16.111  -5.938
  518    HB2  TYR  70           HB2      TYR  70 -33.737 -17.160  -5.442
  519    HB3  TYR  70           HB1      TYR  70 -34.020 -15.632  -4.613
  520    HD1  TYR  70           HD2      TYR  70 -34.985 -15.761  -2.194
  521    HD2  TYR  70           HD1      TYR  70 -33.150 -19.082  -4.225
  522    HE1  TYR  70           HE2      TYR  70 -34.662 -16.901  -0.029
  523    HE2  TYR  70           HE1      TYR  70 -32.809 -20.214  -2.042
  524    HH   TYR  70           HH       TYR  70 -33.003 -18.691   0.875
  525    H    GLN  71           HN       GLN  71 -35.988 -18.771  -3.546
  526    HA   GLN  71           HA       GLN  71 -35.723 -20.971  -5.130
  527    HB2  GLN  71           HB2      GLN  71 -37.804 -20.743  -2.954
  528    HB3  GLN  71           HB1      GLN  71 -37.021 -22.219  -3.529
  529    HG2  GLN  71           HG2      GLN  71 -34.814 -21.182  -2.857
  530    HG3  GLN  71           HG1      GLN  71 -35.746 -19.902  -2.076
  531   HE21  GLN  71          HE21      GLN  71 -37.603 -20.911  -0.584
  532   HE22  GLN  71          HE22      GLN  71 -37.083 -22.179   0.428
  533    H    ARG  72           HN       ARG  72 -38.104 -18.658  -5.505
  534    HA   ARG  72           HA       ARG  72 -40.201 -20.332  -6.490
  535    HB2  ARG  72           HB2      ARG  72 -40.287 -17.956  -5.475
  536    HB3  ARG  72           HB1      ARG  72 -39.834 -17.424  -7.075
  537    HG2  ARG  72           HG2      ARG  72 -42.216 -17.380  -7.079
  538    HG3  ARG  72           HG1      ARG  72 -41.792 -18.846  -7.946
  539    HD2  ARG  72           HD2      ARG  72 -43.002 -20.047  -6.449
  540    HD3  ARG  72           HD1      ARG  72 -41.923 -19.529  -5.161
  541    HE   ARG  72           HE       ARG  72 -43.478 -17.898  -4.548
  542   HH11  ARG  72          HH21      ARG  72 -44.292 -19.421  -7.542
  543   HH12  ARG  72          HH22      ARG  72 -45.906 -18.791  -7.584
  544   HH21  ARG  72          HH11      ARG  72 -45.578 -17.064  -4.589
  545   HH22  ARG  72          HH12      ARG  72 -46.635 -17.451  -5.905
  546    H    TRP  73           HN       TRP  73 -37.201 -19.563  -7.732
  547    HA   TRP  73           HA       TRP  73 -38.162 -19.800 -10.549
  548    HB2  TRP  73           HB2      TRP  73 -36.083 -18.645 -11.214
  549    HB3  TRP  73           HB1      TRP  73 -37.122 -17.637 -10.207
  550    HD1  TRP  73           HD1      TRP  73 -35.410 -20.156  -8.101
  551    HE1  TRP  73           HE1      TRP  73 -33.490 -19.138  -6.835
  552    HE3  TRP  73           HE3      TRP  73 -35.028 -15.776 -10.630
  553    HZ2  TRP  73           HZ2      TRP  73 -31.949 -16.745  -6.875
  554    HZ3  TRP  73           HZ3      TRP  73 -33.292 -14.132  -9.989
  555    HH2  TRP  73           HH2      TRP  73 -31.747 -14.615  -8.113
  556    H    MET  74           HN       MET  74 -37.417 -21.820  -8.455
  557    HA   MET  74           HA       MET  74 -36.660 -23.994  -8.684
  558    HB2  MET  74           HB2      MET  74 -34.885 -23.006 -10.936
  559    HB3  MET  74           HB1      MET  74 -35.075 -24.666 -10.418
  560    HG2  MET  74           HG2      MET  74 -37.405 -22.971 -11.334
  561    HG3  MET  74           HG1      MET  74 -36.486 -24.025 -12.408
  562    HE1  MET  74           HE1      MET  74 -39.730 -25.922 -11.992
  563    HE2  MET  74           HE2      MET  74 -38.875 -24.620 -12.817
  564    HE3  MET  74           HE3      MET  74 -39.839 -24.262 -11.386
  565    H    GLY  75           HN       GLY  75 -35.546 -21.658  -7.155
  566    HA2  GLY  75           HA2      GLY  75 -33.596 -21.015  -5.995
  567    HA3  GLY  75           HA1      GLY  75 -33.824 -22.659  -5.405
  568    H    LEU  76           HN       LEU  76 -32.615 -21.215  -8.448
  569    HA   LEU  76           HA       LEU  76 -30.556 -23.235  -8.656
  570    HB2  LEU  76           HB2      LEU  76 -30.843 -20.730 -10.304
  571    HB3  LEU  76           HB1      LEU  76 -30.041 -22.234 -10.757
  572    HG   LEU  76           HG       LEU  76 -32.993 -22.075 -10.130
  573   HD11  LEU  76          HD11      LEU  76 -32.306 -20.638 -12.098
  574   HD12  LEU  76          HD12      LEU  76 -33.430 -21.936 -12.482
  575   HD13  LEU  76          HD13      LEU  76 -31.720 -22.110 -12.870
  576   HD21  LEU  76          HD21      LEU  76 -32.139 -24.323  -9.963
  577   HD22  LEU  76          HD22      LEU  76 -31.188 -24.133 -11.435
  578   HD23  LEU  76          HD23      LEU  76 -32.946 -24.206 -11.525
  579    H    ASN  77           HN       ASN  77 -30.689 -20.966  -6.564
  580    HA   ASN  77           HA       ASN  77 -28.749 -20.389  -5.257
  581    HB2  ASN  77           HB2      ASN  77 -26.714 -19.648  -6.200
  582    HB3  ASN  77           HB1      ASN  77 -27.158 -21.053  -7.160
  583   HD21  ASN  77          HD21      ASN  77 -29.392 -19.254  -8.401
  584   HD22  ASN  77          HD22      ASN  77 -28.558 -18.338  -9.570
  585    H    ASP  78           HN       ASP  78 -28.000 -18.165  -4.752
  586    HA   ASP  78           HA       ASP  78 -30.060 -16.208  -5.515
  587    HB2  ASP  78           HB2      ASP  78 -29.227 -14.907  -3.622
  588    HB3  ASP  78           HB1      ASP  78 -29.636 -16.545  -3.123
  589    H    ARG  79           HN       ARG  79 -28.790 -16.299  -7.694
  590    HA   ARG  79           HA       ARG  79 -26.984 -13.970  -7.701
  591    HB2  ARG  79           HB2      ARG  79 -25.650 -16.141  -7.717
  592    HB3  ARG  79           HB1      ARG  79 -26.355 -16.452  -9.302
  593    HG2  ARG  79           HG2      ARG  79 -25.461 -14.303 -10.123
  594    HG3  ARG  79           HG1      ARG  79 -24.750 -13.994  -8.541
  595    HD2  ARG  79           HD2      ARG  79 -24.102 -16.403 -10.258
  596    HD3  ARG  79           HD1      ARG  79 -23.116 -14.946 -10.179
  597    HE   ARG  79           HE       ARG  79 -23.510 -15.874  -7.555
  598   HH11  ARG  79          HH21      ARG  79 -21.996 -16.802 -10.525
  599   HH12  ARG  79          HH22      ARG  79 -20.744 -17.723  -9.759
  600   HH21  ARG  79          HH11      ARG  79 -21.876 -17.083  -6.545
  601   HH22  ARG  79          HH12      ARG  79 -20.677 -17.881  -7.505
  602    H    LEU  80           HN       LEU  80 -27.852 -12.532  -9.056
  603    HA   LEU  80           HA       LEU  80 -28.875 -13.471 -11.648
  604    HB2  LEU  80           HB2      LEU  80 -30.706 -13.081  -9.713
  605    HB3  LEU  80           HB1      LEU  80 -30.514 -11.406 -10.221
  606    HG   LEU  80           HG       LEU  80 -32.331 -12.405 -11.473
  607   HD11  LEU  80          HD11      LEU  80 -31.689 -11.658 -13.584
  608   HD12  LEU  80          HD12      LEU  80 -30.058 -12.302 -13.437
  609   HD13  LEU  80          HD13      LEU  80 -30.528 -10.861 -12.533
  610   HD21  LEU  80          HD21      LEU  80 -30.624 -14.349 -12.956
  611   HD22  LEU  80          HD22      LEU  80 -32.297 -14.491 -12.418
  612   HD23  LEU  80          HD23      LEU  80 -30.984 -14.785 -11.285
  613    H    SER  81           HN       SER  81 -28.184 -12.254 -13.237
  614    HA   SER  81           HA       SER  81 -26.977  -9.621 -12.606
  615    HB2  SER  81           HB2      SER  81 -25.364 -10.050 -14.157
  616    HB3  SER  81           HB1      SER  81 -25.697 -11.701 -13.659
  617    HG   SER  81           HG       SER  81 -26.917 -11.994 -15.464
  618    H    SER  82           HN       SER  82 -26.752  -8.685 -15.233
  619    HA   SER  82           HA       SER  82 -29.021  -7.236 -15.631
  620    HB2  SER  82           HB2      SER  82 -26.939  -8.225 -17.563
  621    HB3  SER  82           HB1      SER  82 -28.270  -7.205 -18.102
  622    HG   SER  82           HG       SER  82 -27.619  -5.700 -16.476
  623    H    CYS  83           HN       CYS  83 -30.281  -7.431 -17.892
  624    HA   CYS  83           HA       CYS  83 -31.179 -10.161 -18.356
  625    HB2  CYS  83           HB2      CYS  83 -33.449  -9.789 -17.739
  626    HB3  CYS  83           HB1      CYS  83 -32.484  -9.169 -16.393
  627    HG   CYS  83           HG       CYS  83 -32.820  -6.826 -18.076
  628    H    ARG  84           HN       ARG  84 -32.392 -10.380 -20.321
  629    HA   ARG  84           HA       ARG  84 -32.301  -7.996 -22.089
  630    HB2  ARG  84           HB2      ARG  84 -32.005 -10.921 -22.826
  631    HB3  ARG  84           HB1      ARG  84 -31.997  -9.567 -23.954
  632    HG2  ARG  84           HG2      ARG  84 -30.021  -8.631 -22.819
  633    HG3  ARG  84           HG1      ARG  84 -30.021  -9.989 -21.696
  634    HD2  ARG  84           HD2      ARG  84 -28.416 -10.471 -23.435
  635    HD3  ARG  84           HD1      ARG  84 -29.806 -11.527 -23.671
  636    HE   ARG  84           HE       ARG  84 -30.139  -9.130 -25.164
  637   HH11  ARG  84          HH21      ARG  84 -28.343 -12.085 -25.038
  638   HH12  ARG  84          HH22      ARG  84 -28.085 -12.162 -26.750
  639   HH21  ARG  84          HH11      ARG  84 -29.802  -9.221 -27.408
  640   HH22  ARG  84          HH12      ARG  84 -28.911 -10.540 -28.091
  641    H    ALA  85           HN       ALA  85 -34.181  -7.332 -22.879
  642    HA   ALA  85           HA       ALA  85 -36.639  -8.449 -22.082
  643    HB1  ALA  85           HB1      ALA  85 -36.554  -6.126 -22.673
  644    HB2  ALA  85           HB2      ALA  85 -37.596  -6.922 -23.853
  645    HB3  ALA  85           HB3      ALA  85 -35.939  -6.500 -24.284
  646    H    VAL  86           HN       VAL  86 -37.681 -10.173 -22.786
  647    HA   VAL  86           HA       VAL  86 -37.176 -11.106 -25.573
  648    HB   VAL  86           HB       VAL  86 -37.431 -12.716 -23.017
  649   HG11  VAL  86          HG11      VAL  86 -37.610 -13.536 -25.915
  650   HG12  VAL  86          HG12      VAL  86 -38.741 -13.913 -24.615
  651   HG13  VAL  86          HG13      VAL  86 -37.151 -14.676 -24.653
  652   HG21  VAL  86          HG21      VAL  86 -35.259 -13.692 -24.042
  653   HG22  VAL  86          HG22      VAL  86 -35.168 -12.080 -23.339
  654   HG23  VAL  86          HG23      VAL  86 -35.262 -12.274 -25.086
  655    H    HIS  87           HN       HIS  87 -38.898 -11.461 -26.787
  656    HA   HIS  87           HA       HIS  87 -41.574 -11.226 -25.541
  657    HB2  HIS  87           HB2      HIS  87 -40.709 -10.893 -28.425
  658    HB3  HIS  87           HB1      HIS  87 -42.357 -10.710 -27.821
  659    HD2  HIS  87           HD2      HIS  87 -39.135  -8.617 -28.130
  660    HE1  HIS  87           HE1      HIS  87 -41.751  -6.451 -25.622
  661    HE2  HIS  87           HE2      HIS  87 -39.583  -6.337 -26.940
  662    H    LEU  88           HN       LEU  88 -43.278 -12.570 -26.443
  663    HA   LEU  88           HA       LEU  88 -42.460 -15.319 -26.531
  664    HB2  LEU  88           HB2      LEU  88 -45.244 -15.112 -27.193
  665    HB3  LEU  88           HB1      LEU  88 -44.538 -15.568 -25.641
  666    HG   LEU  88           HG       LEU  88 -44.988 -12.704 -26.532
  667   HD11  LEU  88          HD11      LEU  88 -46.838 -12.822 -24.778
  668   HD12  LEU  88          HD12      LEU  88 -46.676 -14.575 -24.870
  669   HD13  LEU  88          HD13      LEU  88 -47.146 -13.657 -26.300
  670   HD21  LEU  88          HD21      LEU  88 -43.405 -13.824 -24.418
  671   HD22  LEU  88          HD22      LEU  88 -44.816 -13.084 -23.666
  672   HD23  LEU  88          HD23      LEU  88 -43.776 -12.129 -24.714
  673    HA   PRO  89           HA       PRO  89 -42.395 -15.935 -30.895
  674    HB2  PRO  89           HB2      PRO  89 -43.386 -18.465 -31.169
  675    HB3  PRO  89           HB1      PRO  89 -41.792 -18.128 -30.468
  676    HG2  PRO  89           HG2      PRO  89 -44.372 -18.750 -29.093
  677    HG3  PRO  89           HG1      PRO  89 -42.730 -19.307 -28.718
  678    HD2  PRO  89           HD2      PRO  89 -43.943 -17.258 -27.344
  679    HD3  PRO  89           HD1      PRO  89 -42.182 -17.379 -27.556
  680    H    SER  90           HN       SER  90 -43.634 -15.868 -32.775
  681    HA   SER  90           HA       SER  90 -46.509 -16.231 -32.660
  682    HB2  SER  90           HB2      SER  90 -46.946 -13.910 -33.480
  683    HB3  SER  90           HB1      SER  90 -46.377 -13.983 -31.815
  684    HG   SER  90           HG       SER  90 -44.206 -13.730 -32.878
  685    H    GLY  91           HN       GLY  91 -47.484 -15.686 -34.831
  686    HA2  GLY  91           HA2      GLY  91 -47.504 -15.802 -37.144
  687    HA3  GLY  91           HA1      GLY  91 -45.752 -15.605 -37.125
  688    H    GLY  92           HN       GLY  92 -44.511 -17.558 -36.342
  689    HA2  GLY  92           HA2      GLY  92 -45.315 -19.817 -37.913
  690    HA3  GLY  92           HA1      GLY  92 -43.860 -19.699 -36.927
  691    H    GLN  93           HN       GLN  93 -47.109 -19.144 -35.725
  692    HA   GLN  93           HA       GLN  93 -48.072 -20.039 -33.813
  693    HB2  GLN  93           HB2      GLN  93 -48.695 -22.529 -34.355
  694    HB3  GLN  93           HB1      GLN  93 -49.335 -21.234 -35.367
  695    HG2  GLN  93           HG2      GLN  93 -47.588 -21.593 -37.024
  696    HG3  GLN  93           HG1      GLN  93 -46.816 -22.793 -35.993
  697   HE21  GLN  93          HE21      GLN  93 -48.381 -24.691 -35.349
  698   HE22  GLN  93          HE22      GLN  93 -49.371 -25.275 -36.607
  699    H    TYR  94           HN       TYR  94 -46.979 -23.220 -34.259
  700    HA   TYR  94           HA       TYR  94 -44.675 -23.015 -32.501
  701    HB2  TYR  94           HB2      TYR  94 -46.748 -22.957 -31.029
  702    HB3  TYR  94           HB1      TYR  94 -47.035 -24.613 -31.543
  703    HD1  TYR  94           HD1      TYR  94 -44.422 -22.393 -30.103
  704    HD2  TYR  94           HD2      TYR  94 -45.928 -26.398 -30.445
  705    HE1  TYR  94           HE1      TYR  94 -42.765 -23.155 -28.429
  706    HE2  TYR  94           HE2      TYR  94 -44.269 -27.164 -28.766
  707    HH   TYR  94           HH       TYR  94 -42.900 -25.616 -26.696
  708    H    LYS  95           HN       LYS  95 -43.267 -24.306 -33.507
  709    HA   LYS  95           HA       LYS  95 -43.984 -27.080 -34.031
  710    HB2  LYS  95           HB2      LYS  95 -44.695 -25.828 -36.087
  711    HB3  LYS  95           HB1      LYS  95 -43.018 -25.328 -36.296
  712    HG2  LYS  95           HG2      LYS  95 -43.437 -27.288 -37.678
  713    HG3  LYS  95           HG1      LYS  95 -42.341 -27.727 -36.369
  714    HD2  LYS  95           HD2      LYS  95 -43.891 -29.064 -35.307
  715    HD3  LYS  95           HD1      LYS  95 -45.260 -28.079 -35.831
  716    HE2  LYS  95           HE2      LYS  95 -43.666 -29.873 -37.684
  717    HE3  LYS  95           HE1      LYS  95 -45.196 -30.331 -36.927
  718    HZ1  LYS  95           HZ1      LYS  95 -44.738 -28.697 -39.203
  719    HZ2  LYS  95           HZ2      LYS  95 -45.628 -27.855 -38.026
  720    HZ3  LYS  95           HZ3      LYS  95 -46.195 -29.343 -38.619
  721    H    ILE  96           HN       ILE  96 -42.315 -28.383 -33.706
  722    HA   ILE  96           HA       ILE  96 -39.566 -27.294 -33.874
  723    HB   ILE  96           HB       ILE  96 -39.916 -27.219 -31.562
  724   HG12  ILE  96          HG12      ILE  96 -38.921 -30.051 -31.855
  725   HG13  ILE  96          HG11      ILE  96 -37.947 -28.670 -32.353
  726   HG21  ILE  96          HG21      ILE  96 -41.060 -29.010 -30.295
  727   HG22  ILE  96          HG22      ILE  96 -41.305 -29.895 -31.799
  728   HG23  ILE  96          HG23      ILE  96 -42.111 -28.349 -31.548
  729   HD11  ILE  96          HD11      ILE  96 -37.363 -29.293 -30.065
  730   HD12  ILE  96          HD12      ILE  96 -39.053 -29.188 -29.579
  731   HD13  ILE  96          HD13      ILE  96 -38.177 -27.730 -30.052
  732    H    GLN  97           HN       GLN  97 -38.013 -28.705 -34.481
  733    HA   GLN  97           HA       GLN  97 -38.839 -31.459 -35.181
  734    HB2  GLN  97           HB2      GLN  97 -37.495 -29.345 -36.808
  735    HB3  GLN  97           HB1      GLN  97 -36.875 -30.985 -36.981
  736    HG2  GLN  97           HG2      GLN  97 -39.160 -31.792 -37.474
  737    HG3  GLN  97           HG1      GLN  97 -39.766 -30.143 -37.336
  738   HE21  GLN  97          HE21      GLN  97 -36.591 -30.505 -38.714
  739   HE22  GLN  97          HE22      GLN  97 -37.044 -30.248 -40.333
  740    H    ILE  98           HN       ILE  98 -37.593 -32.998 -34.366
  741    HA   ILE  98           HA       ILE  98 -35.007 -32.220 -33.110
  742    HB   ILE  98           HB       ILE  98 -36.757 -34.534 -32.243
  743   HG12  ILE  98          HG12      ILE  98 -36.870 -31.668 -31.256
  744   HG13  ILE  98          HG11      ILE  98 -38.148 -32.494 -32.147
  745   HG21  ILE  98          HG21      ILE  98 -34.787 -32.807 -30.738
  746   HG22  ILE  98          HG22      ILE  98 -34.361 -34.328 -31.523
  747   HG23  ILE  98          HG23      ILE  98 -35.514 -34.313 -30.187
  748   HD11  ILE  98          HD11      ILE  98 -37.392 -32.724 -29.302
  749   HD12  ILE  98          HD12      ILE  98 -37.735 -34.265 -30.090
  750   HD13  ILE  98          HD13      ILE  98 -38.949 -32.988 -30.076
  751    H    PHE  99           HN       PHE  99 -33.257 -33.313 -33.782
  752    HA   PHE  99           HA       PHE  99 -33.664 -35.716 -35.489
  753    HB2  PHE  99           HB2      PHE  99 -31.576 -33.538 -35.522
  754    HB3  PHE  99           HB1      PHE  99 -31.302 -35.089 -36.310
  755    HD1  PHE  99           HD1      PHE  99 -33.611 -32.166 -36.181
  756    HD2  PHE  99           HD2      PHE  99 -32.284 -35.589 -38.415
  757    HE1  PHE  99           HE1      PHE  99 -34.924 -31.401 -38.137
  758    HE2  PHE  99           HE2      PHE  99 -33.600 -34.819 -40.372
  759    HZ   PHE  99           HZ       PHE  99 -34.920 -32.724 -40.234
  760    H    GLU 100           HN       GLU 100 -32.866 -37.582 -34.839
  761    HA   GLU 100           HA       GLU 100 -31.790 -37.954 -32.273
  762    HB2  GLU 100           HB2      GLU 100 -32.971 -39.720 -33.525
  763    HB3  GLU 100           HB1      GLU 100 -31.616 -39.810 -34.658
  764    HG2  GLU 100           HG2      GLU 100 -30.110 -40.464 -32.842
  765    HG3  GLU 100           HG1      GLU 100 -31.410 -40.277 -31.665
  766    H    LYS 101           HN       LYS 101 -30.284 -37.304 -35.343
  767    HA   LYS 101           HA       LYS 101 -27.608 -37.508 -34.062
  768    HB2  LYS 101           HB2      LYS 101 -28.280 -37.903 -36.983
  769    HB3  LYS 101           HB1      LYS 101 -26.708 -38.124 -36.217
  770    HG2  LYS 101           HG2      LYS 101 -27.553 -39.954 -34.889
  771    HG3  LYS 101           HG1      LYS 101 -29.192 -39.686 -35.475
  772    HD2  LYS 101           HD2      LYS 101 -28.446 -40.189 -37.772
  773    HD3  LYS 101           HD1      LYS 101 -26.815 -40.503 -37.170
  774    HE2  LYS 101           HE2      LYS 101 -29.248 -41.973 -36.138
  775    HE3  LYS 101           HE1      LYS 101 -28.283 -42.565 -37.491
  776    HZ1  LYS 101           HZ1      LYS 101 -27.060 -43.530 -35.911
  777    HZ2  LYS 101           HZ2      LYS 101 -27.695 -42.559 -34.671
  778    HZ3  LYS 101           HZ3      LYS 101 -26.415 -41.987 -35.631
  779    H    GLY 102           HN       GLY 102 -26.123 -35.859 -34.540
  780    HA2  GLY 102           HA2      GLY 102 -27.186 -33.286 -34.911
  781    HA3  GLY 102           HA1      GLY 102 -25.478 -33.686 -34.974
  782    H    ASP 103           HN       ASP 103 -25.697 -31.899 -36.673
  783    HA   ASP 103           HA       ASP 103 -25.810 -31.206 -38.869
  784    HB2  ASP 103           HB2      ASP 103 -23.935 -32.955 -38.794
  785    HB3  ASP 103           HB1      ASP 103 -25.092 -34.059 -39.538
  786    H    PHE 104           HN       PHE 104 -28.267 -32.321 -37.703
  787    HA   PHE 104           HA       PHE 104 -30.385 -32.924 -38.341
  788    HB2  PHE 104           HB2      PHE 104 -29.641 -32.163 -41.158
  789    HB3  PHE 104           HB1      PHE 104 -31.181 -31.972 -40.320
  790    HD1  PHE 104           HD2      PHE 104 -31.055 -30.530 -38.099
  791    HD2  PHE 104           HD1      PHE 104 -28.256 -30.285 -41.343
  792    HE1  PHE 104           HE2      PHE 104 -30.400 -28.262 -37.360
  793    HE2  PHE 104           HE1      PHE 104 -27.589 -28.018 -40.598
  794    HZ   PHE 104           HZ       PHE 104 -28.654 -27.012 -38.605
  795    H    SER 105           HN       SER 105 -29.893 -35.190 -37.970
  796    HA   SER 105           HA       SER 105 -30.390 -36.775 -40.321
  797    HB2  SER 105           HB2      SER 105 -27.707 -36.840 -38.955
  798    HB3  SER 105           HB1      SER 105 -28.335 -38.263 -39.778
  799    HG   SER 105           HG       SER 105 -28.722 -36.616 -41.560
  800    H    GLY 106           HN       GLY 106 -30.755 -39.033 -39.776
  801    HA2  GLY 106           HA2      GLY 106 -31.246 -40.806 -38.304
  802    HA3  GLY 106           HA1      GLY 106 -31.074 -39.702 -36.948
  803    H    GLN 107           HN       GLN 107 -33.030 -40.436 -36.055
  804    HA   GLN 107           HA       GLN 107 -35.496 -40.313 -37.489
  805    HB2  GLN 107           HB2      GLN 107 -35.271 -41.847 -35.617
  806    HB3  GLN 107           HB1      GLN 107 -34.928 -40.512 -34.524
  807    HG2  GLN 107           HG2      GLN 107 -37.281 -41.287 -34.355
  808    HG3  GLN 107           HG1      GLN 107 -37.179 -39.604 -34.877
  809   HE21  GLN 107          HE21      GLN 107 -39.082 -39.535 -36.141
  810   HE22  GLN 107          HE22      GLN 107 -39.317 -40.480 -37.533
  811    H    MET 108           HN       MET 108 -37.003 -38.738 -37.599
  812    HA   MET 108           HA       MET 108 -36.428 -36.200 -36.214
  813    HB2  MET 108           HB2      MET 108 -35.985 -36.143 -38.681
  814    HB3  MET 108           HB1      MET 108 -37.706 -36.451 -38.919
  815    HG2  MET 108           HG2      MET 108 -38.202 -34.425 -37.523
  816    HG3  MET 108           HG1      MET 108 -36.472 -34.099 -37.458
  817    HE1  MET 108           HE1      MET 108 -38.612 -35.402 -40.796
  818    HE2  MET 108           HE2      MET 108 -39.405 -33.832 -40.890
  819    HE3  MET 108           HE3      MET 108 -39.498 -34.768 -39.401
  820    H    TYR 109           HN       TYR 109 -37.994 -35.464 -34.907
  821    HA   TYR 109           HA       TYR 109 -40.742 -36.516 -35.268
  822    HB2  TYR 109           HB2      TYR 109 -39.184 -35.855 -32.777
  823    HB3  TYR 109           HB1      TYR 109 -40.931 -36.065 -32.807
  824    HD1  TYR 109           HD2      TYR 109 -41.753 -38.266 -34.116
  825    HD2  TYR 109           HD1      TYR 109 -37.892 -37.752 -32.304
  826    HE1  TYR 109           HE2      TYR 109 -41.478 -40.727 -33.999
  827    HE2  TYR 109           HE1      TYR 109 -37.617 -40.213 -32.190
  828    HH   TYR 109           HH       TYR 109 -40.231 -42.384 -32.812
  829    H    GLU 110           HN       GLU 110 -42.327 -35.131 -35.432
  830    HA   GLU 110           HA       GLU 110 -41.788 -32.250 -34.980
  831    HB2  GLU 110           HB2      GLU 110 -43.614 -32.000 -36.805
  832    HB3  GLU 110           HB1      GLU 110 -41.976 -32.400 -37.307
  833    HG2  GLU 110           HG2      GLU 110 -42.566 -34.760 -37.468
  834    HG3  GLU 110           HG1      GLU 110 -44.180 -34.426 -36.846
  835    H    THR 111           HN       THR 111 -42.906 -31.540 -33.314
  836    HA   THR 111           HA       THR 111 -45.701 -32.430 -32.957
  837    HB   THR 111           HB       THR 111 -44.583 -33.773 -31.381
  838    HG1  THR 111           HG1      THR 111 -46.150 -32.901 -30.213
  839   HG21  THR 111          HG21      THR 111 -42.883 -31.331 -30.891
  840   HG22  THR 111          HG22      THR 111 -42.368 -32.939 -31.388
  841   HG23  THR 111          HG23      THR 111 -42.934 -32.660 -29.741
  842    H    THR 112           HN       THR 112 -47.033 -30.792 -32.773
  843    HA   THR 112           HA       THR 112 -45.968 -28.089 -32.363
  844    HB   THR 112           HB       THR 112 -47.793 -27.328 -33.525
  845    HG1  THR 112           HG1      THR 112 -49.503 -27.731 -32.366
  846   HG21  THR 112          HG21      THR 112 -48.296 -30.159 -34.380
  847   HG22  THR 112          HG22      THR 112 -46.726 -29.439 -34.718
  848   HG23  THR 112          HG23      THR 112 -48.191 -28.703 -35.368
  849    H    GLU 113           HN       GLU 113 -45.999 -29.845 -30.125
  850    HA   GLU 113           HA       GLU 113 -47.677 -28.249 -28.306
  851    HB2  GLU 113           HB2      GLU 113 -48.326 -30.402 -27.107
  852    HB3  GLU 113           HB1      GLU 113 -49.134 -30.095 -28.649
  853    HG2  GLU 113           HG2      GLU 113 -47.588 -31.582 -29.800
  854    HG3  GLU 113           HG1      GLU 113 -46.671 -31.825 -28.312
  855    H    ASP 114           HN       ASP 114 -47.196 -29.245 -25.936
  856    HA   ASP 114           HA       ASP 114 -44.326 -28.887 -25.600
  857    HB2  ASP 114           HB2      ASP 114 -44.975 -29.047 -23.134
  858    HB3  ASP 114           HB1      ASP 114 -45.627 -27.689 -24.037
  859    H    CYS 115           HN       CYS 115 -43.093 -30.312 -24.226
  860    HA   CYS 115           HA       CYS 115 -44.068 -33.092 -24.172
  861    HB2  CYS 115           HB2      CYS 115 -42.665 -32.882 -26.121
  862    HB3  CYS 115           HB1      CYS 115 -41.373 -32.188 -25.149
  863    HG   CYS 115           HG       CYS 115 -40.778 -34.443 -24.283
  864    HA   PRO 116           HA       PRO 116 -42.227 -32.481 -20.060
  865    HB2  PRO 116           HB2      PRO 116 -43.071 -34.834 -18.925
  866    HB3  PRO 116           HB1      PRO 116 -44.146 -33.441 -19.161
  867    HG2  PRO 116           HG2      PRO 116 -43.934 -35.952 -20.743
  868    HG3  PRO 116           HG1      PRO 116 -45.364 -34.980 -20.359
  869    HD2  PRO 116           HD2      PRO 116 -44.004 -34.943 -22.797
  870    HD3  PRO 116           HD1      PRO 116 -45.088 -33.653 -22.217
  871    H    SER 117           HN       SER 117 -42.130 -35.775 -21.416
  872    HA   SER 117           HA       SER 117 -39.207 -35.917 -20.851
  873    HB2  SER 117           HB2      SER 117 -41.303 -38.086 -20.744
  874    HB3  SER 117           HB1      SER 117 -39.577 -38.422 -20.792
  875    HG   SER 117           HG       SER 117 -41.160 -37.346 -18.774
  876    H    ILE 118           HN       ILE 118 -38.133 -35.705 -22.712
  877    HA   ILE 118           HA       ILE 118 -39.311 -36.092 -25.258
  878    HB   ILE 118           HB       ILE 118 -37.208 -34.700 -24.378
  879   HG12  ILE 118          HG12      ILE 118 -37.364 -35.776 -27.202
  880   HG13  ILE 118          HG11      ILE 118 -38.336 -34.446 -26.569
  881   HG21  ILE 118          HG21      ILE 118 -35.082 -35.606 -25.108
  882   HG22  ILE 118          HG22      ILE 118 -35.863 -37.079 -25.667
  883   HG23  ILE 118          HG23      ILE 118 -35.816 -36.705 -23.944
  884   HD11  ILE 118          HD11      ILE 118 -36.078 -34.000 -27.891
  885   HD12  ILE 118          HD12      ILE 118 -35.367 -34.216 -26.299
  886   HD13  ILE 118          HD13      ILE 118 -36.590 -32.971 -26.564
  887    H    MET 119           HN       MET 119 -37.006 -37.969 -23.381
  888    HA   MET 119           HA       MET 119 -36.607 -39.984 -25.302
  889    HB2  MET 119           HB2      MET 119 -35.144 -39.561 -23.324
  890    HB3  MET 119           HB1      MET 119 -36.405 -40.254 -22.309
  891    HG2  MET 119           HG2      MET 119 -36.255 -42.381 -23.433
  892    HG3  MET 119           HG1      MET 119 -35.186 -41.710 -24.662
  893    HE1  MET 119           HE1      MET 119 -34.498 -44.359 -23.087
  894    HE2  MET 119           HE2      MET 119 -32.773 -44.079 -22.867
  895    HE3  MET 119           HE3      MET 119 -33.550 -43.591 -24.370
  896    H    GLU 120           HN       GLU 120 -39.216 -39.367 -23.152
  897    HA   GLU 120           HA       GLU 120 -40.160 -42.035 -22.927
  898    HB2  GLU 120           HB2      GLU 120 -40.803 -40.313 -21.346
  899    HB3  GLU 120           HB1      GLU 120 -41.580 -39.389 -22.635
  900    HG2  GLU 120           HG2      GLU 120 -43.197 -41.191 -23.001
  901    HG3  GLU 120           HG1      GLU 120 -42.379 -42.191 -21.808
  902    H    GLN 121           HN       GLN 121 -41.165 -39.298 -24.972
  903    HA   GLN 121           HA       GLN 121 -42.918 -41.119 -26.467
  904    HB2  GLN 121           HB2      GLN 121 -43.968 -39.112 -27.320
  905    HB3  GLN 121           HB1      GLN 121 -43.876 -39.049 -25.565
  906    HG2  GLN 121           HG2      GLN 121 -42.456 -37.255 -25.556
  907    HG3  GLN 121           HG1      GLN 121 -41.537 -37.832 -26.939
  908   HE21  GLN 121          HE21      GLN 121 -42.819 -35.132 -26.336
  909   HE22  GLN 121          HE22      GLN 121 -43.758 -34.791 -27.706
  910    H    PHE 122           HN       PHE 122 -39.947 -39.363 -26.781
  911    HA   PHE 122           HA       PHE 122 -39.912 -39.958 -29.678
  912    HB2  PHE 122           HB2      PHE 122 -38.378 -37.855 -28.141
  913    HB3  PHE 122           HB1      PHE 122 -38.207 -38.195 -29.854
  914    HD1  PHE 122           HD2      PHE 122 -40.830 -38.499 -30.951
  915    HD2  PHE 122           HD1      PHE 122 -39.579 -35.862 -27.807
  916    HE1  PHE 122           HE2      PHE 122 -42.707 -36.996 -31.458
  917    HE2  PHE 122           HE1      PHE 122 -41.455 -34.343 -28.333
  918    HZ   PHE 122           HZ       PHE 122 -43.022 -34.926 -30.161
  919    H    HIS 123           HN       HIS 123 -38.877 -41.180 -26.861
  920    HA   HIS 123           HA       HIS 123 -37.184 -42.639 -26.293
  921    HB2  HIS 123           HB2      HIS 123 -37.332 -43.102 -29.266
  922    HB3  HIS 123           HB1      HIS 123 -36.463 -44.142 -28.133
  923    HD2  HIS 123           HD2      HIS 123 -39.014 -45.594 -29.504
  924    HE1  HIS 123           HE1      HIS 123 -41.112 -44.687 -25.951
  925    HE2  HIS 123           HE2      HIS 123 -41.111 -46.134 -28.043
  926    H    MET 124           HN       MET 124 -36.545 -39.821 -27.571
  927    HA   MET 124           HA       MET 124 -33.822 -40.189 -28.453
  928    HB2  MET 124           HB2      MET 124 -35.563 -37.795 -27.869
  929    HB3  MET 124           HB1      MET 124 -33.846 -37.618 -28.184
  930    HG2  MET 124           HG2      MET 124 -34.833 -39.321 -30.253
  931    HG3  MET 124           HG1      MET 124 -35.992 -38.020 -30.085
  932    HE1  MET 124           HE1      MET 124 -34.942 -37.967 -32.764
  933    HE2  MET 124           HE2      MET 124 -34.430 -36.289 -32.909
  934    HE3  MET 124           HE3      MET 124 -35.863 -36.680 -31.978
  935    H    ARG 125           HN       ARG 125 -32.027 -40.054 -27.281
  936    HA   ARG 125           HA       ARG 125 -32.313 -39.656 -24.371
  937    HB2  ARG 125           HB2      ARG 125 -30.035 -40.847 -24.400
  938    HB3  ARG 125           HB1      ARG 125 -31.452 -41.818 -24.779
  939    HG2  ARG 125           HG2      ARG 125 -31.006 -41.535 -27.189
  940    HG3  ARG 125           HG1      ARG 125 -29.592 -40.547 -26.813
  941    HD2  ARG 125           HD2      ARG 125 -29.997 -43.443 -26.014
  942    HD3  ARG 125           HD1      ARG 125 -28.931 -42.868 -27.291
  943    HE   ARG 125           HE       ARG 125 -28.193 -41.538 -24.951
  944   HH11  ARG 125          HH21      ARG 125 -28.378 -44.763 -26.190
  945   HH12  ARG 125          HH22      ARG 125 -27.055 -45.353 -25.239
  946   HH21  ARG 125          HH11      ARG 125 -26.456 -42.304 -23.701
  947   HH22  ARG 125          HH12      ARG 125 -25.968 -43.961 -23.830
  948    H    GLU 126           HN       GLU 126 -30.694 -38.534 -27.275
  949    HA   GLU 126           HA       GLU 126 -29.650 -36.275 -25.770
  950    HB2  GLU 126           HB2      GLU 126 -27.739 -37.940 -27.416
  951    HB3  GLU 126           HB1      GLU 126 -27.355 -36.517 -26.472
  952    HG2  GLU 126           HG2      GLU 126 -28.058 -37.734 -24.415
  953    HG3  GLU 126           HG1      GLU 126 -28.292 -39.179 -25.393
  954    H    ILE 127           HN       ILE 127 -30.574 -34.718 -26.895
  955    HA   ILE 127           HA       ILE 127 -31.009 -34.852 -29.732
  956    HB   ILE 127           HB       ILE 127 -31.128 -32.347 -28.043
  957   HG12  ILE 127          HG12      ILE 127 -32.461 -33.884 -26.791
  958   HG13  ILE 127          HG11      ILE 127 -33.609 -33.007 -27.807
  959   HG21  ILE 127          HG21      ILE 127 -32.970 -31.830 -29.671
  960   HG22  ILE 127          HG22      ILE 127 -32.532 -33.297 -30.548
  961   HG23  ILE 127          HG23      ILE 127 -31.384 -31.977 -30.418
  962   HD11  ILE 127          HD11      ILE 127 -32.521 -35.791 -28.230
  963   HD12  ILE 127          HD12      ILE 127 -33.358 -34.898 -29.493
  964   HD13  ILE 127          HD13      ILE 127 -34.199 -35.312 -28.003
  965    H    HIS 128           HN       HIS 128 -29.657 -34.391 -31.297
  966    HA   HIS 128           HA       HIS 128 -27.131 -32.996 -30.667
  967    HB2  HIS 128           HB2      HIS 128 -27.861 -34.808 -32.958
  968    HB3  HIS 128           HB1      HIS 128 -26.270 -34.108 -32.681
  969    HD2  HIS 128           HD2      HIS 128 -24.788 -35.359 -30.608
  970    HE1  HIS 128           HE1      HIS 128 -27.680 -38.302 -29.716
  971    HE2  HIS 128           HE2      HIS 128 -25.276 -37.571 -29.305
  972    H    SER 129           HN       SER 129 -29.916 -32.974 -32.821
  973    HA   SER 129           HA       SER 129 -29.299 -30.208 -33.543
  974    HB2  SER 129           HB2      SER 129 -29.298 -32.487 -35.507
  975    HB3  SER 129           HB1      SER 129 -29.712 -30.851 -36.017
  976    HG   SER 129           HG       SER 129 -27.388 -31.629 -36.032
  977    H    CYS 130           HN       CYS 130 -31.086 -29.051 -34.224
  978    HA   CYS 130           HA       CYS 130 -33.654 -30.427 -34.554
  979    HB2  CYS 130           HB2      CYS 130 -33.948 -30.064 -32.278
  980    HB3  CYS 130           HB1      CYS 130 -32.916 -28.634 -32.268
  981    HG   CYS 130           HG       CYS 130 -35.924 -28.630 -32.702
  982    H    LYS 131           HN       LYS 131 -34.980 -29.417 -35.954
  983    HA   LYS 131           HA       LYS 131 -34.101 -26.796 -37.042
  984    HB2  LYS 131           HB2      LYS 131 -35.462 -29.127 -38.411
  985    HB3  LYS 131           HB1      LYS 131 -35.197 -27.546 -39.148
  986    HG2  LYS 131           HG2      LYS 131 -32.794 -27.772 -38.899
  987    HG3  LYS 131           HG1      LYS 131 -32.998 -29.276 -38.000
  988    HD2  LYS 131           HD2      LYS 131 -32.390 -29.720 -40.356
  989    HD3  LYS 131           HD1      LYS 131 -33.994 -30.344 -39.981
  990    HE2  LYS 131           HE2      LYS 131 -35.081 -28.651 -41.184
  991    HE3  LYS 131           HE1      LYS 131 -33.688 -27.567 -41.112
  992    HZ1  LYS 131           HZ1      LYS 131 -33.137 -30.068 -42.418
  993    HZ2  LYS 131           HZ2      LYS 131 -32.804 -28.480 -42.924
  994    HZ3  LYS 131           HZ3      LYS 131 -34.337 -29.160 -43.201
  995    H    VAL 132           HN       VAL 132 -36.186 -26.037 -38.475
  996    HA   VAL 132           HA       VAL 132 -38.147 -24.856 -38.256
  997    HB   VAL 132           HB       VAL 132 -39.076 -27.351 -36.820
  998   HG11  VAL 132          HG11      VAL 132 -40.440 -25.123 -38.342
  999   HG12  VAL 132          HG12      VAL 132 -40.760 -25.686 -36.704
 1000   HG13  VAL 132          HG13      VAL 132 -41.216 -26.683 -38.086
 1001   HG21  VAL 132          HG21      VAL 132 -38.874 -26.761 -39.790
 1002   HG22  VAL 132          HG22      VAL 132 -39.687 -28.161 -39.089
 1003   HG23  VAL 132          HG23      VAL 132 -37.943 -27.968 -38.904
 1004    H    LEU 133           HN       LEU 133 -37.565 -23.204 -36.873
 1005    HA   LEU 133           HA       LEU 133 -38.083 -23.610 -33.976
 1006    HB2  LEU 133           HB2      LEU 133 -36.487 -21.380 -35.241
 1007    HB3  LEU 133           HB1      LEU 133 -36.551 -21.840 -33.538
 1008    HG   LEU 133           HG       LEU 133 -35.409 -23.499 -35.802
 1009   HD11  LEU 133          HD11      LEU 133 -33.317 -23.215 -34.335
 1010   HD12  LEU 133          HD12      LEU 133 -34.205 -21.927 -33.520
 1011   HD13  LEU 133          HD13      LEU 133 -33.850 -21.801 -35.243
 1012   HD21  LEU 133          HD21      LEU 133 -34.654 -24.942 -33.796
 1013   HD22  LEU 133          HD22      LEU 133 -36.341 -25.069 -34.277
 1014   HD23  LEU 133          HD23      LEU 133 -35.897 -24.094 -32.877
 1015    H    GLU 134           HN       GLU 134 -38.857 -21.568 -32.870
 1016    HA   GLU 134           HA       GLU 134 -40.600 -19.929 -34.576
 1017    HB2  GLU 134           HB2      GLU 134 -41.462 -21.943 -32.578
 1018    HB3  GLU 134           HB1      GLU 134 -42.261 -20.380 -32.431
 1019    HG2  GLU 134           HG2      GLU 134 -43.570 -21.720 -33.903
 1020    HG3  GLU 134           HG1      GLU 134 -42.785 -20.516 -34.907
 1021    H    GLY 135           HN       GLY 135 -39.960 -17.934 -34.175
 1022    HA2  GLY 135           HA2      GLY 135 -39.010 -16.132 -33.049
 1023    HA3  GLY 135           HA1      GLY 135 -40.379 -16.433 -31.983
 1024    H    VAL 136           HN       VAL 136 -40.077 -17.555 -30.058
 1025    HA   VAL 136           HA       VAL 136 -37.258 -17.880 -29.191
 1026    HB   VAL 136           HB       VAL 136 -39.608 -17.237 -27.428
 1027   HG11  VAL 136          HG11      VAL 136 -36.601 -17.037 -27.078
 1028   HG12  VAL 136          HG12      VAL 136 -37.654 -18.221 -26.307
 1029   HG13  VAL 136          HG13      VAL 136 -37.794 -16.519 -25.890
 1030   HG21  VAL 136          HG21      VAL 136 -39.477 -15.363 -28.857
 1031   HG22  VAL 136          HG22      VAL 136 -37.716 -15.435 -28.928
 1032   HG23  VAL 136          HG23      VAL 136 -38.517 -14.917 -27.455
 1033    H    TRP 137           HN       TRP 137 -36.850 -19.560 -27.666
 1034    HA   TRP 137           HA       TRP 137 -38.913 -21.645 -27.389
 1035    HB2  TRP 137           HB2      TRP 137 -37.420 -21.975 -29.493
 1036    HB3  TRP 137           HB1      TRP 137 -36.136 -22.362 -28.346
 1037    HD1  TRP 137           HD1      TRP 137 -36.313 -24.562 -27.000
 1038    HE1  TRP 137           HE1      TRP 137 -37.787 -26.670 -27.244
 1039    HE3  TRP 137           HE3      TRP 137 -39.855 -22.748 -30.152
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.193 -27.444 -28.585
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.733 -24.177 -30.901
 1042    HH2  TRP 137           HH2      TRP 137 -41.903 -26.525 -30.121
 1043    H    ILE 138           HN       ILE 138 -38.057 -23.447 -25.959
 1044    HA   ILE 138           HA       ILE 138 -36.005 -22.591 -24.037
 1045    HB   ILE 138           HB       ILE 138 -38.880 -23.191 -23.316
 1046   HG12  ILE 138          HG12      ILE 138 -37.078 -20.844 -22.620
 1047   HG13  ILE 138          HG11      ILE 138 -38.263 -20.833 -23.919
 1048   HG21  ILE 138          HG21      ILE 138 -37.609 -24.429 -21.725
 1049   HG22  ILE 138          HG22      ILE 138 -37.984 -22.909 -20.919
 1050   HG23  ILE 138          HG23      ILE 138 -36.382 -23.169 -21.607
 1051   HD11  ILE 138          HD11      ILE 138 -39.930 -21.588 -22.005
 1052   HD12  ILE 138          HD12      ILE 138 -39.504 -19.888 -22.200
 1053   HD13  ILE 138          HD13      ILE 138 -38.713 -20.857 -20.961
 1054    H    PHE 139           HN       PHE 139 -34.684 -24.234 -23.681
 1055    HA   PHE 139           HA       PHE 139 -35.728 -27.013 -23.885
 1056    HB2  PHE 139           HB2      PHE 139 -33.297 -25.685 -24.908
 1057    HB3  PHE 139           HB1      PHE 139 -32.923 -27.145 -23.999
 1058    HD1  PHE 139           HD1      PHE 139 -35.999 -26.508 -26.028
 1059    HD2  PHE 139           HD2      PHE 139 -32.280 -28.623 -25.742
 1060    HE1  PHE 139           HE1      PHE 139 -36.668 -27.916 -27.935
 1061    HE2  PHE 139           HE2      PHE 139 -32.954 -30.051 -27.651
 1062    HZ   PHE 139           HZ       PHE 139 -35.149 -29.699 -28.750
 1063    H    TYR 140           HN       TYR 140 -35.675 -28.262 -22.203
 1064    HA   TYR 140           HA       TYR 140 -34.375 -27.219 -19.738
 1065    HB2  TYR 140           HB2      TYR 140 -36.825 -28.903 -20.264
 1066    HB3  TYR 140           HB1      TYR 140 -36.041 -28.930 -18.687
 1067    HD1  TYR 140           HD2      TYR 140 -35.467 -26.547 -17.695
 1068    HD2  TYR 140           HD1      TYR 140 -38.461 -27.281 -20.663
 1069    HE1  TYR 140           HE2      TYR 140 -36.588 -24.426 -17.084
 1070    HE2  TYR 140           HE1      TYR 140 -39.582 -25.161 -20.070
 1071    HH   TYR 140           HH       TYR 140 -39.634 -23.452 -18.639
 1072    H    GLU 141           HN       GLU 141 -32.453 -28.153 -19.489
 1073    HA   GLU 141           HA       GLU 141 -31.477 -30.450 -20.600
 1074    HB2  GLU 141           HB2      GLU 141 -30.174 -28.774 -19.258
 1075    HB3  GLU 141           HB1      GLU 141 -30.825 -29.520 -17.799
 1076    HG2  GLU 141           HG2      GLU 141 -29.839 -31.690 -18.477
 1077    HG3  GLU 141           HG1      GLU 141 -29.171 -30.927 -19.919
 1078    H    LEU 142           HN       LEU 142 -33.803 -30.154 -18.059
 1079    HA   LEU 142           HA       LEU 142 -33.670 -33.076 -17.642
 1080    HB2  LEU 142           HB2      LEU 142 -33.677 -30.883 -15.715
 1081    HB3  LEU 142           HB1      LEU 142 -35.009 -31.988 -15.408
 1082    HG   LEU 142           HG       LEU 142 -33.312 -33.880 -15.531
 1083   HD11  LEU 142          HD11      LEU 142 -30.926 -33.092 -15.106
 1084   HD12  LEU 142          HD12      LEU 142 -31.456 -31.480 -15.585
 1085   HD13  LEU 142          HD13      LEU 142 -31.527 -32.811 -16.740
 1086   HD21  LEU 142          HD21      LEU 142 -32.404 -33.371 -13.255
 1087   HD22  LEU 142          HD22      LEU 142 -34.137 -33.065 -13.391
 1088   HD23  LEU 142          HD23      LEU 142 -32.999 -31.720 -13.428
 1089    HA   PRO 143           HA       PRO 143 -37.833 -33.197 -18.954
 1090    HB2  PRO 143           HB2      PRO 143 -38.870 -35.314 -17.620
 1091    HB3  PRO 143           HB1      PRO 143 -37.569 -35.501 -18.816
 1092    HG2  PRO 143           HG2      PRO 143 -37.431 -35.569 -15.847
 1093    HG3  PRO 143           HG1      PRO 143 -36.474 -36.457 -17.044
 1094    HD2  PRO 143           HD2      PRO 143 -35.654 -34.130 -15.674
 1095    HD3  PRO 143           HD1      PRO 143 -34.871 -34.835 -17.088
 1096    H    ASN 144           HN       ASN 144 -40.120 -33.147 -18.323
 1097    HA   ASN 144           HA       ASN 144 -41.916 -32.504 -17.070
 1098    HB2  ASN 144           HB2      ASN 144 -40.172 -31.885 -14.689
 1099    HB3  ASN 144           HB1      ASN 144 -41.850 -32.424 -14.738
 1100   HD21  ASN 144          HD21      ASN 144 -41.141 -34.485 -16.837
 1101   HD22  ASN 144          HD22      ASN 144 -40.347 -35.710 -15.982
 1102    H    TYR 145           HN       TYR 145 -39.667 -30.752 -18.368
 1103    HA   TYR 145           HA       TYR 145 -39.664 -28.538 -18.982
 1104    HB2  TYR 145           HB2      TYR 145 -41.708 -27.845 -16.884
 1105    HB3  TYR 145           HB1      TYR 145 -41.436 -27.140 -18.468
 1106    HD1  TYR 145           HD2      TYR 145 -41.617 -28.946 -20.465
 1107    HD2  TYR 145           HD1      TYR 145 -43.627 -29.208 -16.679
 1108    HE1  TYR 145           HE2      TYR 145 -43.319 -30.418 -21.466
 1109    HE2  TYR 145           HE1      TYR 145 -45.312 -30.728 -17.684
 1110    HH   TYR 145           HH       TYR 145 -44.900 -32.352 -20.425
 1111    H    ARG 146           HN       ARG 146 -38.115 -29.752 -16.765
 1112    HA   ARG 146           HA       ARG 146 -37.340 -27.226 -15.419
 1113    HB2  ARG 146           HB2      ARG 146 -37.644 -29.936 -14.100
 1114    HB3  ARG 146           HB1      ARG 146 -37.011 -28.476 -13.329
 1115    HG2  ARG 146           HG2      ARG 146 -39.174 -27.334 -13.779
 1116    HG3  ARG 146           HG1      ARG 146 -39.795 -28.837 -14.470
 1117    HD2  ARG 146           HD2      ARG 146 -40.532 -28.718 -12.170
 1118    HD3  ARG 146           HD1      ARG 146 -39.296 -29.969 -12.293
 1119    HE   ARG 146           HE       ARG 146 -38.062 -27.517 -11.631
 1120   HH11  ARG 146          HH21      ARG 146 -40.185 -29.927 -10.340
 1121   HH12  ARG 146          HH22      ARG 146 -39.706 -29.668  -8.696
 1122   HH21  ARG 146          HH11      ARG 146 -37.431 -27.170  -9.469
 1123   HH22  ARG 146          HH12      ARG 146 -38.149 -28.111  -8.203
 1124    H    GLY 147           HN       GLY 147 -35.210 -26.862 -15.588
 1125    HA2  GLY 147           HA2      GLY 147 -33.072 -28.479 -15.174
 1126    HA3  GLY 147           HA1      GLY 147 -33.524 -28.850 -16.837
 1127    H    ARG 148           HN       ARG 148 -31.059 -27.807 -16.399
 1128    HA   ARG 148           HA       ARG 148 -30.714 -25.062 -16.339
 1129    HB2  ARG 148           HB2      ARG 148 -29.178 -27.037 -18.048
 1130    HB3  ARG 148           HB1      ARG 148 -28.629 -25.427 -17.572
 1131    HG2  ARG 148           HG2      ARG 148 -28.795 -26.112 -15.182
 1132    HG3  ARG 148           HG1      ARG 148 -29.248 -27.732 -15.702
 1133    HD2  ARG 148           HD2      ARG 148 -27.107 -27.932 -16.925
 1134    HD3  ARG 148           HD1      ARG 148 -26.651 -26.322 -16.375
 1135    HE   ARG 148           HE       ARG 148 -27.259 -27.782 -14.088
 1136   HH11  ARG 148          HH21      ARG 148 -25.057 -27.928 -16.753
 1137   HH12  ARG 148          HH22      ARG 148 -23.799 -28.704 -15.849
 1138   HH21  ARG 148          HH11      ARG 148 -25.613 -28.800 -12.896
 1139   HH22  ARG 148          HH12      ARG 148 -24.113 -29.199 -13.666
 1140    H    GLN 149           HN       GLN 149 -32.205 -23.836 -17.425
 1141    HA   GLN 149           HA       GLN 149 -33.178 -24.339 -20.009
 1142    HB2  GLN 149           HB2      GLN 149 -32.958 -21.797 -18.406
 1143    HB3  GLN 149           HB1      GLN 149 -33.730 -21.857 -19.994
 1144    HG2  GLN 149           HG2      GLN 149 -35.269 -23.607 -19.171
 1145    HG3  GLN 149           HG1      GLN 149 -34.511 -23.513 -17.579
 1146   HE21  GLN 149          HE21      GLN 149 -36.211 -22.584 -16.358
 1147   HE22  GLN 149          HE22      GLN 149 -36.915 -21.078 -16.720
 1148    H    TYR 150           HN       TYR 150 -32.416 -23.929 -22.011
 1149    HA   TYR 150           HA       TYR 150 -29.793 -22.557 -22.236
 1150    HB2  TYR 150           HB2      TYR 150 -31.042 -24.808 -23.816
 1151    HB3  TYR 150           HB1      TYR 150 -29.669 -23.880 -24.422
 1152    HD1  TYR 150           HD2      TYR 150 -27.704 -23.545 -22.664
 1153    HD2  TYR 150           HD1      TYR 150 -30.583 -26.728 -22.549
 1154    HE1  TYR 150           HE2      TYR 150 -26.149 -24.901 -21.291
 1155    HE2  TYR 150           HE1      TYR 150 -29.027 -28.084 -21.176
 1156    HH   TYR 150           HH       TYR 150 -27.030 -27.463 -19.513
 1157    H    LEU 151           HN       LEU 151 -29.671 -20.764 -23.395
 1158    HA   LEU 151           HA       LEU 151 -32.010 -19.567 -24.494
 1159    HB2  LEU 151           HB2      LEU 151 -30.072 -18.284 -23.544
 1160    HB3  LEU 151           HB1      LEU 151 -29.121 -18.778 -24.944
 1161    HG   LEU 151           HG       LEU 151 -30.844 -17.716 -26.430
 1162   HD11  LEU 151          HD11      LEU 151 -32.244 -15.920 -25.071
 1163   HD12  LEU 151          HD12      LEU 151 -32.063 -17.080 -23.756
 1164   HD13  LEU 151          HD13      LEU 151 -32.847 -17.563 -25.258
 1165   HD21  LEU 151          HD21      LEU 151 -28.837 -16.478 -25.952
 1166   HD22  LEU 151          HD22      LEU 151 -29.435 -16.012 -24.359
 1167   HD23  LEU 151          HD23      LEU 151 -30.186 -15.349 -25.812
 1168    H    LEU 152           HN       LEU 152 -32.753 -19.522 -26.516
 1169    HA   LEU 152           HA       LEU 152 -31.162 -20.813 -28.659
 1170    HB2  LEU 152           HB2      LEU 152 -33.936 -21.335 -27.739
 1171    HB3  LEU 152           HB1      LEU 152 -33.752 -21.213 -29.485
 1172    HG   LEU 152           HG       LEU 152 -31.887 -22.903 -29.341
 1173   HD11  LEU 152          HD11      LEU 152 -31.984 -24.304 -27.171
 1174   HD12  LEU 152          HD12      LEU 152 -32.755 -22.893 -26.449
 1175   HD13  LEU 152          HD13      LEU 152 -31.128 -22.767 -27.107
 1176   HD21  LEU 152          HD21      LEU 152 -34.413 -23.995 -28.114
 1177   HD22  LEU 152          HD22      LEU 152 -33.355 -24.763 -29.290
 1178   HD23  LEU 152          HD23      LEU 152 -34.381 -23.413 -29.772
 1179    H    ASP 153           HN       ASP 153 -31.317 -19.997 -30.704
 1180    HA   ASP 153           HA       ASP 153 -32.591 -17.330 -30.976
 1181    HB2  ASP 153           HB2      ASP 153 -30.067 -17.314 -30.842
 1182    HB3  ASP 153           HB1      ASP 153 -30.054 -18.238 -32.345
 1183    H    LYS 154           HN       LYS 154 -33.938 -17.095 -32.637
 1184    HA   LYS 154           HA       LYS 154 -34.883 -19.240 -34.156
 1185    HB2  LYS 154           HB2      LYS 154 -36.100 -17.096 -33.771
 1186    HB3  LYS 154           HB1      LYS 154 -34.995 -16.308 -34.897
 1187    HG2  LYS 154           HG2      LYS 154 -35.702 -17.817 -36.695
 1188    HG3  LYS 154           HG1      LYS 154 -36.768 -18.672 -35.578
 1189    HD2  LYS 154           HD2      LYS 154 -38.050 -16.593 -35.209
 1190    HD3  LYS 154           HD1      LYS 154 -36.992 -15.744 -36.336
 1191    HE2  LYS 154           HE2      LYS 154 -39.012 -16.416 -37.516
 1192    HE3  LYS 154           HE1      LYS 154 -37.657 -17.374 -38.115
 1193    HZ1  LYS 154           HZ1      LYS 154 -38.628 -19.227 -37.425
 1194    HZ2  LYS 154           HZ2      LYS 154 -40.022 -18.320 -37.074
 1195    HZ3  LYS 154           HZ3      LYS 154 -38.866 -18.610 -35.863
 1196    H    LYS 155           HN       LYS 155 -32.842 -20.208 -34.882
 1197    HA   LYS 155           HA       LYS 155 -32.098 -19.195 -37.540
 1198    HB2  LYS 155           HB2      LYS 155 -30.173 -19.663 -35.258
 1199    HB3  LYS 155           HB1      LYS 155 -29.663 -19.690 -36.945
 1200    HG2  LYS 155           HG2      LYS 155 -30.482 -17.407 -37.263
 1201    HG3  LYS 155           HG1      LYS 155 -31.093 -17.375 -35.613
 1202    HD2  LYS 155           HD2      LYS 155 -28.963 -16.230 -35.640
 1203    HD3  LYS 155           HD1      LYS 155 -28.758 -17.761 -34.791
 1204    HE2  LYS 155           HE2      LYS 155 -27.583 -18.740 -36.573
 1205    HE3  LYS 155           HE1      LYS 155 -28.210 -17.586 -37.753
 1206    HZ1  LYS 155           HZ1      LYS 155 -25.825 -17.295 -36.944
 1207    HZ2  LYS 155           HZ2      LYS 155 -26.508 -16.713 -35.501
 1208    HZ3  LYS 155           HZ3      LYS 155 -26.816 -15.920 -36.972
 1209    H    GLU 156           HN       GLU 156 -30.258 -21.547 -35.735
 1210    HA   GLU 156           HA       GLU 156 -31.684 -23.865 -36.502
 1211    HB2  GLU 156           HB2      GLU 156 -30.713 -22.879 -38.751
 1212    HB3  GLU 156           HB1      GLU 156 -29.200 -23.582 -38.182
 1213    HG2  GLU 156           HG2      GLU 156 -30.434 -25.762 -37.864
 1214    HG3  GLU 156           HG1      GLU 156 -31.822 -25.022 -38.659
 1215    H    TYR 157           HN       TYR 157 -30.666 -25.790 -35.787
 1216    HA   TYR 157           HA       TYR 157 -28.138 -25.420 -34.286
 1217    HB2  TYR 157           HB2      TYR 157 -30.356 -27.226 -33.357
 1218    HB3  TYR 157           HB1      TYR 157 -28.991 -26.606 -32.434
 1219    HD1  TYR 157           HD2      TYR 157 -28.959 -23.734 -32.970
 1220    HD2  TYR 157           HD1      TYR 157 -32.327 -26.355 -32.451
 1221    HE1  TYR 157           HE2      TYR 157 -30.337 -21.816 -32.265
 1222    HE2  TYR 157           HE1      TYR 157 -33.702 -24.425 -31.747
 1223    HH   TYR 157           HH       TYR 157 -33.792 -22.216 -31.512
 1224    H    ARG 158           HN       ARG 158 -26.663 -26.542 -35.358
 1225    HA   ARG 158           HA       ARG 158 -27.403 -29.169 -36.501
 1226    HB2  ARG 158           HB2      ARG 158 -25.561 -28.944 -37.988
 1227    HB3  ARG 158           HB1      ARG 158 -26.409 -27.398 -38.005
 1228    HG2  ARG 158           HG2      ARG 158 -24.762 -26.566 -36.286
 1229    HG3  ARG 158           HG1      ARG 158 -23.861 -28.066 -36.504
 1230    HD2  ARG 158           HD2      ARG 158 -22.870 -26.382 -37.923
 1231    HD3  ARG 158           HD1      ARG 158 -23.698 -27.557 -38.941
 1232    HE   ARG 158           HE       ARG 158 -25.464 -25.431 -38.319
 1233   HH11  ARG 158          HH21      ARG 158 -22.626 -26.206 -40.127
 1234   HH12  ARG 158          HH22      ARG 158 -22.917 -25.024 -41.359
 1235   HH21  ARG 158          HH11      ARG 158 -25.860 -23.876 -39.925
 1236   HH22  ARG 158          HH12      ARG 158 -24.752 -23.703 -41.245
 1237    H    LYS 159           HN       LYS 159 -25.468 -27.590 -34.091
 1238    HA   LYS 159           HA       LYS 159 -24.162 -30.172 -33.441
 1239    HB2  LYS 159           HB2      LYS 159 -22.544 -28.409 -32.191
 1240    HB3  LYS 159           HB1      LYS 159 -22.293 -28.888 -33.867
 1241    HG2  LYS 159           HG2      LYS 159 -23.073 -26.867 -34.710
 1242    HG3  LYS 159           HG1      LYS 159 -24.116 -26.566 -33.333
 1243    HD2  LYS 159           HD2      LYS 159 -22.227 -25.007 -33.312
 1244    HD3  LYS 159           HD1      LYS 159 -22.114 -26.107 -31.936
 1245    HE2  LYS 159           HE2      LYS 159 -20.726 -26.691 -34.554
 1246    HE3  LYS 159           HE1      LYS 159 -19.963 -25.723 -33.292
 1247    HZ1  LYS 159           HZ1      LYS 159 -20.854 -27.808 -31.888
 1248    HZ2  LYS 159           HZ2      LYS 159 -19.291 -27.711 -32.549
 1249    HZ3  LYS 159           HZ3      LYS 159 -20.510 -28.564 -33.368
 1250    HA   PRO 160           HA       PRO 160 -26.098 -30.125 -29.510
 1251    HB2  PRO 160           HB2      PRO 160 -23.994 -30.862 -27.834
 1252    HB3  PRO 160           HB1      PRO 160 -24.960 -31.957 -28.809
 1253    HG2  PRO 160           HG2      PRO 160 -22.293 -30.827 -29.389
 1254    HG3  PRO 160           HG1      PRO 160 -22.908 -32.460 -29.692
 1255    HD2  PRO 160           HD2      PRO 160 -22.706 -30.651 -31.677
 1256    HD3  PRO 160           HD1      PRO 160 -24.027 -31.825 -31.619
 1257    H    ILE 161           HN       ILE 161 -23.315 -28.135 -30.034
 1258    HA   ILE 161           HA       ILE 161 -23.757 -26.641 -27.540
 1259    HB   ILE 161           HB       ILE 161 -21.617 -26.302 -29.651
 1260   HG12  ILE 161          HG12      ILE 161 -20.408 -27.447 -27.420
 1261   HG13  ILE 161          HG11      ILE 161 -21.944 -28.303 -27.468
 1262   HG21  ILE 161          HG21      ILE 161 -22.073 -25.183 -26.884
 1263   HG22  ILE 161          HG22      ILE 161 -21.693 -24.328 -28.382
 1264   HG23  ILE 161          HG23      ILE 161 -20.453 -25.278 -27.576
 1265   HD11  ILE 161          HD11      ILE 161 -20.432 -29.579 -28.803
 1266   HD12  ILE 161          HD12      ILE 161 -19.829 -28.144 -29.630
 1267   HD13  ILE 161          HD13      ILE 161 -21.465 -28.723 -29.951
 1268    H    ASP 162           HN       ASP 162 -24.902 -26.641 -30.623
 1269    HA   ASP 162           HA       ASP 162 -24.724 -23.965 -31.428
 1270    HB2  ASP 162           HB2      ASP 162 -26.084 -26.272 -32.369
 1271    HB3  ASP 162           HB1      ASP 162 -27.302 -25.054 -32.176
 1272    H    TRP 163           HN       TRP 163 -26.645 -25.485 -28.967
 1273    HA   TRP 163           HA       TRP 163 -28.198 -22.983 -28.624
 1274    HB2  TRP 163           HB2      TRP 163 -29.638 -24.556 -27.148
 1275    HB3  TRP 163           HB1      TRP 163 -29.778 -24.680 -28.904
 1276    HD1  TRP 163           HD1      TRP 163 -27.439 -26.198 -26.248
 1277    HE1  TRP 163           HE1      TRP 163 -27.208 -28.723 -26.743
 1278    HE3  TRP 163           HE3      TRP 163 -30.357 -26.582 -30.416
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.110 -30.619 -28.596
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.626 -28.777 -31.545
 1281    HH2  TRP 163           HH2      TRP 163 -29.475 -30.787 -30.635
 1282    H    GLY 164           HN       GLY 164 -25.387 -23.708 -27.708
 1283    HA2  GLY 164           HA2      GLY 164 -24.143 -23.076 -25.882
 1284    HA3  GLY 164           HA1      GLY 164 -25.622 -22.430 -25.191
 1285    H    ALA 165           HN       ALA 165 -25.265 -25.866 -26.050
 1286    HA   ALA 165           HA       ALA 165 -25.392 -26.500 -23.137
 1287    HB1  ALA 165           HB1      ALA 165 -27.317 -27.348 -24.365
 1288    HB2  ALA 165           HB2      ALA 165 -26.299 -28.679 -23.831
 1289    HB3  ALA 165           HB3      ALA 165 -26.236 -28.146 -25.502
 1290    H    ALA 166           HN       ALA 166 -23.854 -27.730 -22.245
 1291    HA   ALA 166           HA       ALA 166 -21.420 -28.113 -23.707
 1292    HB1  ALA 166           HB1      ALA 166 -22.260 -28.893 -20.910
 1293    HB2  ALA 166           HB2      ALA 166 -21.281 -27.503 -21.383
 1294    HB3  ALA 166           HB3      ALA 166 -20.637 -29.134 -21.556
 1295    H    SER 167           HN       SER 167 -23.963 -29.643 -24.421
 1296    HA   SER 167           HA       SER 167 -22.841 -31.927 -25.422
 1297    HB2  SER 167           HB2      SER 167 -23.460 -32.175 -22.547
 1298    HB3  SER 167           HB1      SER 167 -24.093 -33.485 -23.534
 1299    HG   SER 167           HG       SER 167 -21.992 -33.965 -22.923
 1300    HA   PRO 168           HA       PRO 168 -26.998 -32.225 -27.019
 1301    HB2  PRO 168           HB2      PRO 168 -27.048 -34.799 -27.953
 1302    HB3  PRO 168           HB1      PRO 168 -26.131 -33.530 -28.746
 1303    HG2  PRO 168           HG2      PRO 168 -25.178 -35.659 -26.922
 1304    HG3  PRO 168           HG1      PRO 168 -24.395 -34.982 -28.356
 1305    HD2  PRO 168           HD2      PRO 168 -23.695 -34.293 -25.773
 1306    HD3  PRO 168           HD1      PRO 168 -23.455 -33.231 -27.176
 1307    H    ALA 169           HN       ALA 169 -26.130 -33.599 -24.173
 1308    HA   ALA 169           HA       ALA 169 -28.270 -35.496 -23.832
 1309    HB1  ALA 169           HB1      ALA 169 -27.445 -35.478 -21.446
 1310    HB2  ALA 169           HB2      ALA 169 -26.234 -34.296 -21.944
 1311    HB3  ALA 169           HB3      ALA 169 -26.222 -35.917 -22.640
 1312    H    VAL 170           HN       VAL 170 -29.899 -33.768 -24.513
 1313    HA   VAL 170           HA       VAL 170 -30.601 -31.953 -22.303
 1314    HB   VAL 170           HB       VAL 170 -31.992 -32.122 -24.971
 1315   HG11  VAL 170          HG11      VAL 170 -31.555 -29.490 -23.698
 1316   HG12  VAL 170          HG12      VAL 170 -32.465 -30.592 -22.673
 1317   HG13  VAL 170          HG13      VAL 170 -33.050 -30.217 -24.283
 1318   HG21  VAL 170          HG21      VAL 170 -29.362 -30.796 -24.279
 1319   HG22  VAL 170          HG22      VAL 170 -30.362 -30.238 -25.622
 1320   HG23  VAL 170          HG23      VAL 170 -29.720 -31.881 -25.622
 1321    H    GLN 171           HN       GLN 171 -33.408 -31.953 -23.239
 1322    HA   GLN 171           HA       GLN 171 -34.415 -34.582 -22.767
 1323    HB2  GLN 171           HB2      GLN 171 -34.240 -32.604 -20.563
 1324    HB3  GLN 171           HB1      GLN 171 -35.782 -33.407 -20.686
 1325    HG2  GLN 171           HG2      GLN 171 -33.103 -34.754 -20.386
 1326    HG3  GLN 171           HG1      GLN 171 -34.360 -34.627 -19.192
 1327   HE21  GLN 171          HE21      GLN 171 -33.228 -36.484 -21.826
 1328   HE22  GLN 171          HE22      GLN 171 -34.561 -37.534 -21.944
 1329    H    SER 172           HN       SER 172 -36.864 -32.897 -21.598
 1330    HA   SER 172           HA       SER 172 -38.097 -32.645 -24.219
 1331    HB2  SER 172           HB2      SER 172 -40.057 -33.071 -23.117
 1332    HB3  SER 172           HB1      SER 172 -38.924 -33.845 -22.026
 1333    HG   SER 172           HG       SER 172 -38.859 -31.523 -21.125
 1334    H    PHE 173           HN       PHE 173 -40.174 -30.888 -23.325
 1335    HA   PHE 173           HA       PHE 173 -39.067 -28.405 -22.548
 1336    HB2  PHE 173           HB2      PHE 173 -39.180 -27.251 -24.726
 1337    HB3  PHE 173           HB1      PHE 173 -37.952 -28.520 -24.702
 1338    HD1  PHE 173           HD1      PHE 173 -41.443 -27.754 -25.745
 1339    HD2  PHE 173           HD2      PHE 173 -38.086 -30.405 -26.136
 1340    HE1  PHE 173           HE1      PHE 173 -42.566 -28.898 -27.637
 1341    HE2  PHE 173           HE2      PHE 173 -39.209 -31.549 -28.023
 1342    HZ   PHE 173           HZ       PHE 173 -41.449 -30.797 -28.778
 1343    H    ARG 174           HN       ARG 174 -40.629 -26.573 -23.549
 1344    HA   ARG 174           HA       ARG 174 -43.344 -27.471 -23.844
 1345    HB2  ARG 174           HB2      ARG 174 -44.116 -26.099 -21.838
 1346    HB3  ARG 174           HB1      ARG 174 -43.364 -27.652 -21.503
 1347    HG2  ARG 174           HG2      ARG 174 -41.367 -26.689 -20.739
 1348    HG3  ARG 174           HG1      ARG 174 -41.639 -25.185 -21.609
 1349    HD2  ARG 174           HD2      ARG 174 -43.327 -26.096 -19.264
 1350    HD3  ARG 174           HD1      ARG 174 -41.964 -24.982 -19.133
 1351    HE   ARG 174           HE       ARG 174 -43.557 -23.881 -21.076
 1352   HH11  ARG 174          HH21      ARG 174 -43.946 -24.938 -17.811
 1353   HH12  ARG 174          HH22      ARG 174 -45.178 -23.782 -17.432
 1354   HH21  ARG 174          HH11      ARG 174 -45.168 -22.352 -20.594
 1355   HH22  ARG 174          HH12      ARG 174 -45.870 -22.314 -19.011
 1356    H    ARG 175           HN       ARG 175 -44.472 -26.045 -25.028
 1357    HA   ARG 175           HA       ARG 175 -43.318 -23.869 -26.266
 1358    HB2  ARG 175           HB2      ARG 175 -45.603 -23.201 -26.872
 1359    HB3  ARG 175           HB1      ARG 175 -45.437 -24.951 -26.993
 1360    HG2  ARG 175           HG2      ARG 175 -46.384 -25.133 -24.672
 1361    HG3  ARG 175           HG1      ARG 175 -46.719 -23.405 -24.734
 1362    HD2  ARG 175           HD2      ARG 175 -48.115 -23.747 -26.740
 1363    HD3  ARG 175           HD1      ARG 175 -47.790 -25.477 -26.667
 1364    HE   ARG 175           HE       ARG 175 -48.901 -24.421 -24.219
 1365   HH11  ARG 175          HH21      ARG 175 -49.552 -25.633 -27.394
 1366   HH12  ARG 175          HH22      ARG 175 -51.157 -26.163 -27.013
 1367   HH21  ARG 175          HH11      ARG 175 -51.004 -25.117 -23.711
 1368   HH22  ARG 175          HH12      ARG 175 -51.979 -25.871 -24.927
 1369    H    ILE 176           HN       ILE 176 -42.968 -21.809 -25.797
 1370    HA   ILE 176           HA       ILE 176 -43.148 -20.899 -23.103
 1371    HB   ILE 176           HB       ILE 176 -42.728 -19.176 -25.550
 1372   HG12  ILE 176          HG12      ILE 176 -40.779 -20.920 -24.024
 1373   HG13  ILE 176          HG11      ILE 176 -41.203 -21.048 -25.730
 1374   HG21  ILE 176          HG21      ILE 176 -41.555 -18.927 -22.773
 1375   HG22  ILE 176          HG22      ILE 176 -43.083 -18.170 -23.216
 1376   HG23  ILE 176          HG23      ILE 176 -41.596 -17.709 -24.046
 1377   HD11  ILE 176          HD11      ILE 176 -40.395 -18.560 -25.831
 1378   HD12  ILE 176          HD12      ILE 176 -39.203 -19.854 -25.830
 1379   HD13  ILE 176          HD13      ILE 176 -39.541 -18.957 -24.347
 1380    H    VAL 177           HN       VAL 177 -44.675 -19.709 -22.100
 1381    HA   VAL 177           HA       VAL 177 -46.864 -18.535 -23.703
 1382    HB   VAL 177           HB       VAL 177 -48.497 -19.392 -22.066
 1383   HG11  VAL 177          HG11      VAL 177 -46.805 -21.635 -23.201
 1384   HG12  VAL 177          HG12      VAL 177 -47.892 -20.645 -24.175
 1385   HG13  VAL 177          HG13      VAL 177 -48.541 -21.662 -22.887
 1386   HG21  VAL 177          HG21      VAL 177 -46.051 -20.801 -20.954
 1387   HG22  VAL 177          HG22      VAL 177 -47.706 -21.246 -20.540
 1388   HG23  VAL 177          HG23      VAL 177 -47.088 -19.651 -20.113
 1389    H    GLU 178           HN       GLU 178 -48.032 -16.857 -22.589
 1390    HA   GLU 178           HA       GLU 178 -46.704 -15.767 -20.182
 1391    HB2  GLU 178           HB2      GLU 178 -45.957 -14.729 -22.471
 1392    HB3  GLU 178           HB1      GLU 178 -47.526 -13.934 -22.430
 1393    HG2  GLU 178           HG2      GLU 178 -46.049 -12.407 -21.373
 1394    HG3  GLU 178           HG1      GLU 178 -46.899 -13.203 -20.053
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1 -47.482  -4.493 -18.392
    2    H2   GLY   1           HT2      GLY   1 -49.136  -4.410 -18.778
    3    H3   GLY   1           HT3      GLY   1 -48.012  -3.466 -19.634
    4    HA2  GLY   1           HA2      GLY   1 -46.958  -5.787 -20.172
    5    HA3  GLY   1           HA1      GLY   1 -48.611  -6.322 -19.865
    6    H    SER   2           HN       SER   2 -46.872  -5.959 -22.383
    7    HA   SER   2           HA       SER   2 -48.940  -5.358 -24.178
    8    HB2  SER   2           HB2      SER   2 -47.884  -3.178 -25.078
    9    HB3  SER   2           HB1      SER   2 -48.872  -3.075 -23.631
   10    HG   SER   2           HG       SER   2 -47.171  -2.363 -22.643
   11    H    LYS   3           HN       LYS   3 -47.613  -4.417 -26.365
   12    HA   LYS   3           HA       LYS   3 -46.167  -6.680 -27.236
   13    HB2  LYS   3           HB2      LYS   3 -46.282  -3.887 -28.402
   14    HB3  LYS   3           HB1      LYS   3 -45.694  -5.327 -29.244
   15    HG2  LYS   3           HG2      LYS   3 -47.931  -6.389 -28.876
   16    HG3  LYS   3           HG1      LYS   3 -48.498  -4.870 -28.185
   17    HD2  LYS   3           HD2      LYS   3 -47.985  -3.700 -30.289
   18    HD3  LYS   3           HD1      LYS   3 -47.406  -5.209 -30.993
   19    HE2  LYS   3           HE2      LYS   3 -49.651  -6.209 -30.655
   20    HE3  LYS   3           HE1      LYS   3 -50.225  -4.672 -30.011
   21    HZ1  LYS   3           HZ1      LYS   3 -50.095  -5.451 -32.672
   22    HZ2  LYS   3           HZ2      LYS   3 -48.922  -4.239 -32.469
   23    HZ3  LYS   3           HZ3      LYS   3 -50.542  -3.934 -32.058
   24    H    THR   4           HN       THR   4 -45.132  -3.449 -26.196
   25    HA   THR   4           HA       THR   4 -42.313  -4.389 -26.147
   26    HB   THR   4           HB       THR   4 -41.683  -2.026 -26.325
   27    HG1  THR   4           HG1      THR   4 -43.178  -0.466 -26.385
   28   HG21  THR   4          HG21      THR   4 -41.957  -3.271 -28.400
   29   HG22  THR   4          HG22      THR   4 -42.545  -1.626 -28.631
   30   HG23  THR   4          HG23      THR   4 -43.689  -2.947 -28.399
   31    H    GLY   5           HN       GLY   5 -44.771  -4.276 -24.143
   32    HA2  GLY   5           HA2      GLY   5 -43.673  -2.715 -21.958
   33    HA3  GLY   5           HA1      GLY   5 -45.120  -3.720 -21.908
   34    H    THR   6           HN       THR   6 -41.764  -3.540 -21.244
   35    HA   THR   6           HA       THR   6 -41.836  -6.185 -19.959
   36    HB   THR   6           HB       THR   6 -39.596  -6.720 -20.873
   37    HG1  THR   6           HG1      THR   6 -39.514  -4.248 -21.463
   38   HG21  THR   6          HG21      THR   6 -41.804  -7.412 -21.976
   39   HG22  THR   6          HG22      THR   6 -40.362  -7.478 -22.991
   40   HG23  THR   6          HG23      THR   6 -41.491  -6.132 -23.148
   41    H    LYS   7           HN       LYS   7 -40.903  -6.170 -18.026
   42    HA   LYS   7           HA       LYS   7 -38.745  -4.376 -17.347
   43    HB2  LYS   7           HB2      LYS   7 -40.347  -2.719 -16.942
   44    HB3  LYS   7           HB1      LYS   7 -41.536  -3.879 -16.360
   45    HG2  LYS   7           HG2      LYS   7 -40.418  -4.159 -14.283
   46    HG3  LYS   7           HG1      LYS   7 -38.948  -3.387 -14.888
   47    HD2  LYS   7           HD2      LYS   7 -39.934  -1.239 -14.854
   48    HD3  LYS   7           HD1      LYS   7 -41.562  -1.895 -14.717
   49    HE2  LYS   7           HE2      LYS   7 -41.223  -2.557 -12.462
   50    HE3  LYS   7           HE1      LYS   7 -39.476  -2.378 -12.581
   51    HZ1  LYS   7           HZ1      LYS   7 -41.111  -0.522 -11.567
   52    HZ2  LYS   7           HZ2      LYS   7 -41.004   0.008 -13.178
   53    HZ3  LYS   7           HZ3      LYS   7 -39.595  -0.177 -12.245
   54    H    ILE   8           HN       ILE   8 -37.742  -4.894 -15.364
   55    HA   ILE   8           HA       ILE   8 -38.839  -7.109 -13.801
   56    HB   ILE   8           HB       ILE   8 -37.494  -8.152 -15.630
   57   HG12  ILE   8          HG12      ILE   8 -36.097  -8.537 -12.973
   58   HG13  ILE   8          HG11      ILE   8 -37.767  -9.058 -13.203
   59   HG21  ILE   8          HG21      ILE   8 -35.067  -7.921 -15.547
   60   HG22  ILE   8          HG22      ILE   8 -35.187  -6.768 -14.229
   61   HG23  ILE   8          HG23      ILE   8 -35.805  -6.345 -15.824
   62   HD11  ILE   8          HD11      ILE   8 -37.175 -10.602 -14.899
   63   HD12  ILE   8          HD12      ILE   8 -35.926 -10.800 -13.671
   64   HD13  ILE   8          HD13      ILE   8 -35.587  -9.872 -15.131
   65    H    THR   9           HN       THR   9 -38.197  -7.171 -11.686
   66    HA   THR   9           HA       THR   9 -36.235  -5.133 -10.855
   67    HB   THR   9           HB       THR   9 -38.849  -5.824  -9.507
   68    HG1  THR   9           HG1      THR   9 -37.933  -3.347 -10.511
   69   HG21  THR   9          HG21      THR   9 -36.544  -4.051  -8.684
   70   HG22  THR   9          HG22      THR   9 -37.194  -5.431  -7.809
   71   HG23  THR   9          HG23      THR   9 -38.145  -3.956  -7.960
   72    H    PHE  10           HN       PHE  10 -34.788  -5.695  -9.335
   73    HA   PHE  10           HA       PHE  10 -34.930  -8.461  -8.267
   74    HB2  PHE  10           HB2      PHE  10 -32.433  -6.874  -8.890
   75    HB3  PHE  10           HB1      PHE  10 -32.538  -8.576  -8.441
   76    HD1  PHE  10           HD2      PHE  10 -33.702 -10.191 -10.008
   77    HD2  PHE  10           HD1      PHE  10 -32.706  -6.176 -11.143
   78    HE1  PHE  10           HE2      PHE  10 -33.966 -10.804 -12.396
   79    HE2  PHE  10           HE1      PHE  10 -32.965  -6.784 -13.531
   80    HZ   PHE  10           HZ       PHE  10 -33.599  -9.099 -14.158
   81    H    TYR  11           HN       TYR  11 -35.356  -8.394  -6.148
   82    HA   TYR  11           HA       TYR  11 -34.602  -6.041  -4.570
   83    HB2  TYR  11           HB2      TYR  11 -36.404  -8.414  -4.072
   84    HB3  TYR  11           HB1      TYR  11 -36.028  -7.221  -2.840
   85    HD1  TYR  11           HD2      TYR  11 -36.767  -4.896  -3.048
   86    HD2  TYR  11           HD1      TYR  11 -37.820  -7.850  -5.989
   87    HE1  TYR  11           HE2      TYR  11 -38.538  -3.395  -3.922
   88    HE2  TYR  11           HE1      TYR  11 -39.586  -6.347  -6.860
   89    HH   TYR  11           HH       TYR  11 -41.016  -4.328  -5.709
   90    H    GLU  12           HN       GLU  12 -33.166  -6.054  -2.974
   91    HA   GLU  12           HA       GLU  12 -31.136  -7.991  -2.936
   92    HB2  GLU  12           HB2      GLU  12 -31.222  -5.502  -2.066
   93    HB3  GLU  12           HB1      GLU  12 -31.640  -6.257  -0.535
   94    HG2  GLU  12           HG2      GLU  12 -29.223  -7.091  -2.165
   95    HG3  GLU  12           HG1      GLU  12 -29.160  -5.830  -0.945
   96    H    ASP  13           HN       ASP  13 -33.783  -7.377  -0.628
   97    HA   ASP  13           HA       ASP  13 -33.240  -9.956   0.660
   98    HB2  ASP  13           HB2      ASP  13 -34.966  -7.591   1.397
   99    HB3  ASP  13           HB1      ASP  13 -35.016  -9.124   2.266
  100    H    LYS  14           HN       LYS  14 -35.494 -10.852   1.484
  101    HA   LYS  14           HA       LYS  14 -36.845 -11.747  -0.911
  102    HB2  LYS  14           HB2      LYS  14 -37.066 -12.461   2.001
  103    HB3  LYS  14           HB1      LYS  14 -38.182 -13.096   0.794
  104    HG2  LYS  14           HG2      LYS  14 -36.409 -14.134  -0.441
  105    HG3  LYS  14           HG1      LYS  14 -35.178 -13.330   0.531
  106    HD2  LYS  14           HD2      LYS  14 -37.204 -15.096   1.897
  107    HD3  LYS  14           HD1      LYS  14 -35.840 -15.836   1.063
  108    HE2  LYS  14           HE2      LYS  14 -34.290 -14.413   2.397
  109    HE3  LYS  14           HE1      LYS  14 -35.673 -13.771   3.279
  110    HZ1  LYS  14           HZ1      LYS  14 -34.327 -15.851   4.128
  111    HZ2  LYS  14           HZ2      LYS  14 -35.412 -16.671   3.109
  112    HZ3  LYS  14           HZ3      LYS  14 -35.998 -15.706   4.376
  113    H    ASN  15           HN       ASN  15 -39.341 -12.128  -0.381
  114    HA   ASN  15           HA       ASN  15 -41.367 -11.097  -0.592
  115    HB2  ASN  15           HB2      ASN  15 -40.538  -9.512   1.842
  116    HB3  ASN  15           HB1      ASN  15 -42.137 -10.115   1.412
  117   HD21  ASN  15          HD21      ASN  15 -40.683 -12.744   0.562
  118   HD22  ASN  15          HD22      ASN  15 -40.454 -13.542   2.044
  119    H    PHE  16           HN       PHE  16 -38.998  -9.727  -1.818
  120    HA   PHE  16           HA       PHE  16 -38.585  -7.842  -2.993
  121    HB2  PHE  16           HB2      PHE  16 -41.332  -6.776  -2.438
  122    HB3  PHE  16           HB1      PHE  16 -40.381  -6.697  -3.925
  123    HD1  PHE  16           HD2      PHE  16 -39.918  -8.865  -5.166
  124    HD2  PHE  16           HD1      PHE  16 -42.903  -8.519  -2.108
  125    HE1  PHE  16           HE2      PHE  16 -41.027 -10.901  -6.022
  126    HE2  PHE  16           HE1      PHE  16 -44.016 -10.565  -2.963
  127    HZ   PHE  16           HZ       PHE  16 -43.077 -11.759  -4.917
  128    H    GLN  17           HN       GLN  17 -37.819  -7.811  -0.306
  129    HA   GLN  17           HA       GLN  17 -38.397  -5.055   0.584
  130    HB2  GLN  17           HB2      GLN  17 -37.445  -7.511   2.073
  131    HB3  GLN  17           HB1      GLN  17 -37.462  -5.893   2.775
  132    HG2  GLN  17           HG2      GLN  17 -39.859  -5.714   2.445
  133    HG3  GLN  17           HG1      GLN  17 -39.890  -7.254   1.581
  134   HE21  GLN  17          HE21      GLN  17 -38.903  -9.158   2.973
  135   HE22  GLN  17          HE22      GLN  17 -39.362  -9.179   4.612
  136    H    GLY  18           HN       GLY  18 -36.502  -4.128   1.856
  137    HA2  GLY  18           HA2      GLY  18 -34.326  -3.392   1.945
  138    HA3  GLY  18           HA1      GLY  18 -33.853  -4.890   1.154
  139    H    ARG  19           HN       ARG  19 -32.376  -3.728  -0.049
  140    HA   ARG  19           HA       ARG  19 -32.893  -1.518  -1.720
  141    HB2  ARG  19           HB2      ARG  19 -30.660  -3.100  -1.257
  142    HB3  ARG  19           HB1      ARG  19 -31.014  -3.437  -2.944
  143    HG2  ARG  19           HG2      ARG  19 -31.067  -1.004  -3.415
  144    HG3  ARG  19           HG1      ARG  19 -30.627  -0.689  -1.734
  145    HD2  ARG  19           HD2      ARG  19 -28.985  -2.377  -3.637
  146    HD3  ARG  19           HD1      ARG  19 -28.661  -0.680  -3.285
  147    HE   ARG  19           HE       ARG  19 -28.807  -2.068  -0.844
  148   HH11  ARG  19          HH21      ARG  19 -26.901  -1.888  -3.719
  149   HH12  ARG  19          HH22      ARG  19 -25.424  -2.341  -2.936
  150   HH21  ARG  19          HH11      ARG  19 -26.883  -2.665   0.196
  151   HH22  ARG  19          HH12      ARG  19 -25.414  -2.782  -0.715
  152    H    ARG  20           HN       ARG  20 -32.719  -1.777  -4.295
  153    HA   ARG  20           HA       ARG  20 -33.924  -4.038  -5.449
  154    HB2  ARG  20           HB2      ARG  20 -36.115  -3.211  -5.974
  155    HB3  ARG  20           HB1      ARG  20 -35.901  -3.070  -4.230
  156    HG2  ARG  20           HG2      ARG  20 -36.520  -0.879  -4.486
  157    HG3  ARG  20           HG1      ARG  20 -34.905  -0.625  -5.147
  158    HD2  ARG  20           HD2      ARG  20 -35.873  -1.258  -7.428
  159    HD3  ARG  20           HD1      ARG  20 -37.462  -1.175  -6.673
  160    HE   ARG  20           HE       ARG  20 -37.266   1.149  -6.566
  161   HH11  ARG  20          HH21      ARG  20 -34.263  -0.340  -7.455
  162   HH12  ARG  20          HH22      ARG  20 -33.508   1.152  -7.913
  163   HH21  ARG  20          HH11      ARG  20 -36.277   3.097  -7.157
  164   HH22  ARG  20          HH12      ARG  20 -34.647   3.094  -7.745
  165    H    TYR  21           HN       TYR  21 -34.119  -3.793  -7.774
  166    HA   TYR  21           HA       TYR  21 -32.965  -1.290  -8.857
  167    HB2  TYR  21           HB2      TYR  21 -31.225  -3.097  -8.748
  168    HB3  TYR  21           HB1      TYR  21 -32.243  -4.069  -9.813
  169    HD1  TYR  21           HD1      TYR  21 -30.872  -0.584  -9.592
  170    HD2  TYR  21           HD2      TYR  21 -31.847  -3.916 -12.122
  171    HE1  TYR  21           HE1      TYR  21 -29.960   0.632 -11.544
  172    HE2  TYR  21           HE2      TYR  21 -30.926  -2.699 -14.076
  173    HH   TYR  21           HH       TYR  21 -28.930  -0.174 -13.893
  174    H    ASP  22           HN       ASP  22 -34.082  -0.494 -10.551
  175    HA   ASP  22           HA       ASP  22 -36.140  -2.238 -11.808
  176    HB2  ASP  22           HB2      ASP  22 -37.488  -0.184 -12.097
  177    HB3  ASP  22           HB1      ASP  22 -37.191  -0.553 -10.399
  178    H    CYS  23           HN       CYS  23 -35.934  -2.544 -13.917
  179    HA   CYS  23           HA       CYS  23 -34.912  -0.441 -15.647
  180    HB2  CYS  23           HB2      CYS  23 -32.912  -1.753 -14.800
  181    HB3  CYS  23           HB1      CYS  23 -33.560  -3.136 -15.684
  182    HG   CYS  23           HG       CYS  23 -32.386  -2.145 -17.632
  183    H    ASP  24           HN       ASP  24 -35.623  -0.623 -17.735
  184    HA   ASP  24           HA       ASP  24 -37.261  -2.981 -18.404
  185    HB2  ASP  24           HB2      ASP  24 -38.886  -1.533 -19.454
  186    HB3  ASP  24           HB1      ASP  24 -38.652  -1.005 -17.790
  187    H    CYS  25           HN       CYS  25 -34.444  -2.141 -19.069
  188    HA   CYS  25           HA       CYS  25 -34.663  -2.557 -21.968
  189    HB2  CYS  25           HB2      CYS  25 -34.449  -0.031 -21.309
  190    HB3  CYS  25           HB1      CYS  25 -32.768  -0.437 -20.982
  191    HG   CYS  25           HG       CYS  25 -34.121  -0.699 -23.790
  192    H    ASP  26           HN       ASP  26 -32.988  -3.733 -22.820
  193    HA   ASP  26           HA       ASP  26 -31.569  -5.543 -21.437
  194    HB2  ASP  26           HB2      ASP  26 -29.928  -5.578 -23.270
  195    HB3  ASP  26           HB1      ASP  26 -31.574  -5.433 -23.884
  196    H    CYS  27           HN       CYS  27 -29.371  -5.733 -20.696
  197    HA   CYS  27           HA       CYS  27 -27.817  -3.340 -20.220
  198    HB2  CYS  27           HB2      CYS  27 -29.498  -4.581 -18.089
  199    HB3  CYS  27           HB1      CYS  27 -27.890  -4.023 -17.630
  200    HG   CYS  27           HG       CYS  27 -28.651  -1.670 -17.839
  201    H    ALA  28           HN       ALA  28 -25.766  -3.864 -19.068
  202    HA   ALA  28           HA       ALA  28 -24.809  -6.503 -19.937
  203    HB1  ALA  28           HB1      ALA  28 -23.315  -4.093 -18.879
  204    HB2  ALA  28           HB2      ALA  28 -23.501  -4.533 -20.578
  205    HB3  ALA  28           HB3      ALA  28 -22.575  -5.571 -19.494
  206    H    ASP  29           HN       ASP  29 -24.498  -4.449 -17.044
  207    HA   ASP  29           HA       ASP  29 -24.856  -6.767 -15.305
  208    HB2  ASP  29           HB2      ASP  29 -22.757  -6.429 -14.105
  209    HB3  ASP  29           HB1      ASP  29 -22.438  -6.777 -15.803
  210    H    PHE  30           HN       PHE  30 -26.370  -6.060 -13.976
  211    HA   PHE  30           HA       PHE  30 -26.298  -3.264 -13.022
  212    HB2  PHE  30           HB2      PHE  30 -28.595  -3.347 -12.808
  213    HB3  PHE  30           HB1      PHE  30 -28.388  -4.525 -14.101
  214    HD1  PHE  30           HD2      PHE  30 -28.310  -6.991 -13.511
  215    HD2  PHE  30           HD1      PHE  30 -29.429  -3.973 -10.681
  216    HE1  PHE  30           HE2      PHE  30 -29.334  -8.729 -12.052
  217    HE2  PHE  30           HE1      PHE  30 -30.453  -5.696  -9.234
  218    HZ   PHE  30           HZ       PHE  30 -30.410  -8.079  -9.921
  219    H    HIS  31           HN       HIS  31 -24.920  -5.970 -12.122
  220    HA   HIS  31           HA       HIS  31 -25.761  -6.513  -9.498
  221    HB2  HIS  31           HB2      HIS  31 -24.242  -7.989 -10.723
  222    HB3  HIS  31           HB1      HIS  31 -22.983  -6.752 -10.667
  223    HD2  HIS  31           HD2      HIS  31 -21.558  -6.669  -8.256
  224    HE1  HIS  31           HE1      HIS  31 -23.949  -9.417  -6.120
  225    HE2  HIS  31           HE2      HIS  31 -21.818  -8.038  -6.048
  226    H    THR  32           HN       THR  32 -23.820  -3.980 -10.834
  227    HA   THR  32           HA       THR  32 -22.529  -3.113  -8.484
  228    HB   THR  32           HB       THR  32 -22.326  -0.926  -9.624
  229    HG1  THR  32           HG1      THR  32 -23.409  -0.579 -11.499
  230   HG21  THR  32          HG21      THR  32 -20.781  -2.735 -10.201
  231   HG22  THR  32          HG22      THR  32 -21.159  -1.785 -11.638
  232   HG23  THR  32          HG23      THR  32 -21.925  -3.354 -11.391
  233    H    TYR  33           HN       TYR  33 -25.786  -2.644  -9.665
  234    HA   TYR  33           HA       TYR  33 -26.427  -0.621  -7.669
  235    HB2  TYR  33           HB2      TYR  33 -28.115  -2.069  -9.712
  236    HB3  TYR  33           HB1      TYR  33 -28.711  -0.796  -8.648
  237    HD1  TYR  33           HD2      TYR  33 -27.462   1.479  -8.695
  238    HD2  TYR  33           HD1      TYR  33 -27.069  -1.513 -11.746
  239    HE1  TYR  33           HE2      TYR  33 -26.588   3.193 -10.262
  240    HE2  TYR  33           HE1      TYR  33 -26.189   0.196 -13.313
  241    HH   TYR  33           HH       TYR  33 -26.219   3.604 -12.516
  242    H    LEU  34           HN       LEU  34 -26.355  -4.019  -7.841
  243    HA   LEU  34           HA       LEU  34 -27.818  -4.192  -5.304
  244    HB2  LEU  34           HB2      LEU  34 -29.322  -4.721  -7.331
  245    HB3  LEU  34           HB1      LEU  34 -28.349  -6.178  -7.507
  246    HG   LEU  34           HG       LEU  34 -28.868  -6.745  -5.134
  247   HD11  LEU  34          HD11      LEU  34 -29.526  -4.928  -3.919
  248   HD12  LEU  34          HD12      LEU  34 -31.134  -5.408  -4.446
  249   HD13  LEU  34          HD13      LEU  34 -30.275  -4.127  -5.300
  250   HD21  LEU  34          HD21      LEU  34 -31.335  -7.267  -5.596
  251   HD22  LEU  34          HD22      LEU  34 -30.179  -7.855  -6.797
  252   HD23  LEU  34          HD23      LEU  34 -31.113  -6.394  -7.108
  253    H    SER  35           HN       SER  35 -26.953  -5.625  -3.885
  254    HA   SER  35           HA       SER  35 -24.452  -6.937  -4.719
  255    HB2  SER  35           HB2      SER  35 -25.627  -6.121  -2.076
  256    HB3  SER  35           HB1      SER  35 -24.311  -7.289  -2.146
  257    HG   SER  35           HG       SER  35 -23.915  -4.836  -2.053
  258    H    ARG  36           HN       ARG  36 -27.692  -7.695  -4.238
  259    HA   ARG  36           HA       ARG  36 -27.159 -10.528  -4.462
  260    HB2  ARG  36           HB2      ARG  36 -27.029 -10.160  -2.007
  261    HB3  ARG  36           HB1      ARG  36 -28.666  -9.511  -2.055
  262    HG2  ARG  36           HG2      ARG  36 -29.514 -11.638  -2.942
  263    HG3  ARG  36           HG1      ARG  36 -27.874 -12.290  -2.937
  264    HD2  ARG  36           HD2      ARG  36 -29.183 -12.995  -0.956
  265    HD3  ARG  36           HD1      ARG  36 -27.756 -12.066  -0.509
  266    HE   ARG  36           HE       ARG  36 -30.002 -10.345  -0.784
  267   HH11  ARG  36          HH21      ARG  36 -28.634 -12.795   1.243
  268   HH12  ARG  36          HH22      ARG  36 -29.381 -12.209   2.690
  269   HH21  ARG  36          HH11      ARG  36 -30.982  -9.571   1.112
  270   HH22  ARG  36          HH12      ARG  36 -30.710 -10.386   2.616
  271    H    CYS  37           HN       CYS  37 -28.911 -11.678  -5.229
  272    HA   CYS  37           HA       CYS  37 -31.232 -10.032  -6.047
  273    HB2  CYS  37           HB2      CYS  37 -30.438 -12.617  -7.344
  274    HB3  CYS  37           HB1      CYS  37 -31.324 -11.253  -8.027
  275    HG   CYS  37           HG       CYS  37 -28.269 -11.512  -7.859
  276    H    ASN  38           HN       ASN  38 -32.748 -10.312  -4.606
  277    HA   ASN  38           HA       ASN  38 -33.683 -13.056  -4.053
  278    HB2  ASN  38           HB2      ASN  38 -33.577 -10.716  -2.147
  279    HB3  ASN  38           HB1      ASN  38 -34.387 -12.239  -1.820
  280   HD21  ASN  38          HD21      ASN  38 -32.313 -11.490  -0.108
  281   HD22  ASN  38          HD22      ASN  38 -30.961 -12.482  -0.383
  282    H    SER  39           HN       SER  39 -35.947 -13.162  -3.679
  283    HA   SER  39           HA       SER  39 -37.997 -12.852  -4.649
  284    HB2  SER  39           HB2      SER  39 -39.088 -10.775  -3.652
  285    HB3  SER  39           HB1      SER  39 -38.396 -11.933  -2.539
  286    HG   SER  39           HG       SER  39 -37.836  -9.610  -2.265
  287    H    ILE  40           HN       ILE  40 -38.902 -12.331  -6.451
  288    HA   ILE  40           HA       ILE  40 -38.172  -9.819  -7.837
  289    HB   ILE  40           HB       ILE  40 -37.762 -12.615  -8.858
  290   HG12  ILE  40          HG12      ILE  40 -35.949 -10.237  -9.276
  291   HG13  ILE  40          HG11      ILE  40 -35.933 -11.077  -7.728
  292   HG21  ILE  40          HG21      ILE  40 -38.958 -11.717 -10.668
  293   HG22  ILE  40          HG22      ILE  40 -37.276 -11.406 -11.105
  294   HG23  ILE  40          HG23      ILE  40 -38.273 -10.109 -10.440
  295   HD11  ILE  40          HD11      ILE  40 -34.253 -12.164  -8.966
  296   HD12  ILE  40          HD12      ILE  40 -35.194 -12.134 -10.456
  297   HD13  ILE  40          HD13      ILE  40 -35.630 -13.240  -9.154
  298    H    LYS  41           HN       LYS  41 -39.685  -9.012  -9.195
  299    HA   LYS  41           HA       LYS  41 -42.019 -10.589  -9.962
  300    HB2  LYS  41           HB2      LYS  41 -43.522  -8.694  -9.042
  301    HB3  LYS  41           HB1      LYS  41 -42.931  -9.924  -7.931
  302    HG2  LYS  41           HG2      LYS  41 -41.324  -8.513  -7.011
  303    HG3  LYS  41           HG1      LYS  41 -41.371  -7.396  -8.355
  304    HD2  LYS  41           HD2      LYS  41 -42.535  -6.628  -6.201
  305    HD3  LYS  41           HD1      LYS  41 -43.463  -6.498  -7.692
  306    HE2  LYS  41           HE2      LYS  41 -44.827  -8.318  -7.157
  307    HE3  LYS  41           HE1      LYS  41 -43.668  -8.995  -6.011
  308    HZ1  LYS  41           HZ1      LYS  41 -44.920  -7.998  -4.474
  309    HZ2  LYS  41           HZ2      LYS  41 -45.713  -7.009  -5.604
  310    HZ3  LYS  41           HZ3      LYS  41 -44.199  -6.549  -4.981
  311    H    VAL  42           HN       VAL  42 -41.771 -10.220 -12.121
  312    HA   VAL  42           HA       VAL  42 -40.907  -7.792 -13.193
  313    HB   VAL  42           HB       VAL  42 -42.236 -10.284 -14.218
  314   HG11  VAL  42          HG11      VAL  42 -43.300  -8.820 -15.675
  315   HG12  VAL  42          HG12      VAL  42 -41.826  -9.161 -16.556
  316   HG13  VAL  42          HG13      VAL  42 -41.994  -7.670 -15.666
  317   HG21  VAL  42          HG21      VAL  42 -40.156 -10.570 -15.416
  318   HG22  VAL  42          HG22      VAL  42 -39.760 -10.151 -13.750
  319   HG23  VAL  42          HG23      VAL  42 -39.641  -8.932 -15.017
  320    H    GLU  43           HN       GLU  43 -42.034  -6.227 -14.291
  321    HA   GLU  43           HA       GLU  43 -44.925  -6.002 -13.685
  322    HB2  GLU  43           HB2      GLU  43 -42.795  -3.858 -13.711
  323    HB3  GLU  43           HB1      GLU  43 -44.523  -3.561 -13.545
  324    HG2  GLU  43           HG2      GLU  43 -44.547  -5.032 -11.539
  325    HG3  GLU  43           HG1      GLU  43 -42.805  -5.213 -11.683
  326    H    GLY  44           HN       GLY  44 -44.269  -7.251 -15.993
  327    HA2  GLY  44           HA2      GLY  44 -45.344  -5.498 -17.979
  328    HA3  GLY  44           HA1      GLY  44 -43.626  -5.759 -18.235
  329    H    GLY  45           HN       GLY  45 -42.897  -7.724 -19.011
  330    HA2  GLY  45           HA2      GLY  45 -44.908  -9.824 -19.561
  331    HA3  GLY  45           HA1      GLY  45 -43.890  -9.187 -20.851
  332    H    THR  46           HN       THR  46 -42.727 -11.047 -21.305
  333    HA   THR  46           HA       THR  46 -41.509 -12.599 -19.198
  334    HB   THR  46           HB       THR  46 -41.111 -12.735 -22.198
  335    HG1  THR  46           HG1      THR  46 -42.831 -14.105 -20.413
  336   HG21  THR  46          HG21      THR  46 -39.298 -13.889 -21.239
  337   HG22  THR  46          HG22      THR  46 -40.499 -15.154 -21.493
  338   HG23  THR  46          HG23      THR  46 -40.266 -14.472 -19.883
  339    H    TRP  47           HN       TRP  47 -39.139 -13.102 -19.294
  340    HA   TRP  47           HA       TRP  47 -37.399 -10.996 -20.294
  341    HB2  TRP  47           HB2      TRP  47 -38.150 -11.301 -17.427
  342    HB3  TRP  47           HB1      TRP  47 -36.450 -10.989 -17.758
  343    HD1  TRP  47           HD1      TRP  47 -39.702  -9.332 -17.399
  344    HE1  TRP  47           HE1      TRP  47 -39.482  -6.827 -17.965
  345    HE3  TRP  47           HE3      TRP  47 -35.157  -9.337 -19.715
  346    HZ2  TRP  47           HZ2      TRP  47 -37.677  -5.083 -19.312
  347    HZ3  TRP  47           HZ3      TRP  47 -34.211  -7.233 -20.632
  348    HH2  TRP  47           HH2      TRP  47 -35.468  -5.113 -20.438
  349    H    ALA  48           HN       ALA  48 -35.217 -11.507 -20.140
  350    HA   ALA  48           HA       ALA  48 -34.598 -14.366 -19.619
  351    HB1  ALA  48           HB1      ALA  48 -34.306 -14.039 -21.935
  352    HB2  ALA  48           HB2      ALA  48 -32.685 -13.897 -21.265
  353    HB3  ALA  48           HB3      ALA  48 -33.583 -12.447 -21.717
  354    H    VAL  49           HN       VAL  49 -33.314 -14.612 -17.915
  355    HA   VAL  49           HA       VAL  49 -31.520 -12.375 -17.113
  356    HB   VAL  49           HB       VAL  49 -31.790 -13.419 -14.790
  357   HG11  VAL  49          HG11      VAL  49 -32.885 -11.290 -15.556
  358   HG12  VAL  49          HG12      VAL  49 -33.823 -12.169 -14.348
  359   HG13  VAL  49          HG13      VAL  49 -34.286 -12.243 -16.048
  360   HG21  VAL  49          HG21      VAL  49 -33.658 -14.844 -14.385
  361   HG22  VAL  49          HG22      VAL  49 -32.850 -15.522 -15.794
  362   HG23  VAL  49          HG23      VAL  49 -34.314 -14.568 -16.000
  363    H    TYR  50           HN       TYR  50 -29.412 -12.810 -16.890
  364    HA   TYR  50           HA       TYR  50 -28.510 -15.605 -17.226
  365    HB2  TYR  50           HB2      TYR  50 -27.120 -12.951 -17.666
  366    HB3  TYR  50           HB1      TYR  50 -26.323 -14.518 -17.790
  367    HD1  TYR  50           HD1      TYR  50 -29.057 -12.424 -19.191
  368    HD2  TYR  50           HD2      TYR  50 -26.588 -15.898 -19.715
  369    HE1  TYR  50           HE1      TYR  50 -29.895 -12.671 -21.512
  370    HE2  TYR  50           HE2      TYR  50 -27.423 -16.141 -22.035
  371    HH   TYR  50           HH       TYR  50 -29.382 -15.489 -23.357
  372    H    GLU  51           HN       GLU  51 -28.201 -16.540 -15.301
  373    HA   GLU  51           HA       GLU  51 -28.027 -15.656 -12.805
  374    HB2  GLU  51           HB2      GLU  51 -27.740 -18.013 -13.423
  375    HB3  GLU  51           HB1      GLU  51 -26.087 -17.666 -13.976
  376    HG2  GLU  51           HG2      GLU  51 -25.444 -17.029 -11.710
  377    HG3  GLU  51           HG1      GLU  51 -27.108 -17.202 -11.165
  378    H    ARG  52           HN       ARG  52 -25.469 -15.320 -15.170
  379    HA   ARG  52           HA       ARG  52 -23.876 -13.772 -13.212
  380    HB2  ARG  52           HB2      ARG  52 -23.183 -15.681 -15.373
  381    HB3  ARG  52           HB1      ARG  52 -21.981 -14.513 -14.835
  382    HG2  ARG  52           HG2      ARG  52 -22.106 -15.391 -12.587
  383    HG3  ARG  52           HG1      ARG  52 -23.451 -16.443 -13.013
  384    HD2  ARG  52           HD2      ARG  52 -20.990 -17.398 -12.935
  385    HD3  ARG  52           HD1      ARG  52 -22.097 -17.915 -14.202
  386    HE   ARG  52           HE       ARG  52 -20.804 -16.748 -15.753
  387   HH11  ARG  52          HH21      ARG  52 -19.925 -15.933 -12.505
  388   HH12  ARG  52          HH22      ARG  52 -18.493 -15.076 -12.963
  389   HH21  ARG  52          HH11      ARG  52 -18.918 -15.633 -16.359
  390   HH22  ARG  52          HH12      ARG  52 -17.923 -14.905 -15.142
  391    HA   PRO  53           HA       PRO  53 -24.247 -10.374 -16.060
  392    HB2  PRO  53           HB2      PRO  53 -21.927  -9.011 -15.515
  393    HB3  PRO  53           HB1      PRO  53 -23.302  -9.034 -14.400
  394    HG2  PRO  53           HG2      PRO  53 -20.799 -10.661 -14.347
  395    HG3  PRO  53           HG1      PRO  53 -21.652  -9.868 -13.010
  396    HD2  PRO  53           HD2      PRO  53 -21.891 -12.537 -13.498
  397    HD3  PRO  53           HD1      PRO  53 -23.226 -11.574 -12.823
  398    H    ASN  54           HN       ASN  54 -23.230  -9.337 -17.884
  399    HA   ASN  54           HA       ASN  54 -21.941  -9.232 -19.782
  400    HB2  ASN  54           HB2      ASN  54 -20.350 -11.642 -18.942
  401    HB3  ASN  54           HB1      ASN  54 -19.850 -10.255 -19.903
  402   HD21  ASN  54          HD21      ASN  54 -19.514 -11.576 -16.858
  403   HD22  ASN  54          HD22      ASN  54 -19.166 -10.162 -15.986
  404    H    PHE  55           HN       PHE  55 -23.780 -11.821 -18.705
  405    HA   PHE  55           HA       PHE  55 -25.202 -13.177 -19.903
  406    HB2  PHE  55           HB2      PHE  55 -23.692 -12.635 -22.458
  407    HB3  PHE  55           HB1      PHE  55 -25.377 -13.099 -22.238
  408    HD1  PHE  55           HD2      PHE  55 -26.622 -11.406 -20.466
  409    HD2  PHE  55           HD1      PHE  55 -23.415 -10.406 -23.142
  410    HE1  PHE  55           HE2      PHE  55 -27.318  -9.031 -20.407
  411    HE2  PHE  55           HE1      PHE  55 -24.112  -8.026 -23.085
  412    HZ   PHE  55           HZ       PHE  55 -26.063  -7.345 -21.730
  413    H    ALA  56           HN       ALA  56 -23.225 -14.271 -18.443
  414    HA   ALA  56           HA       ALA  56 -22.598 -16.662 -20.036
  415    HB1  ALA  56           HB1      ALA  56 -20.622 -15.049 -20.230
  416    HB2  ALA  56           HB2      ALA  56 -20.255 -16.657 -19.603
  417    HB3  ALA  56           HB3      ALA  56 -20.390 -15.289 -18.497
  418    H    GLY  57           HN       GLY  57 -23.558 -18.154 -18.753
  419    HA2  GLY  57           HA2      GLY  57 -22.610 -19.072 -16.349
  420    HA3  GLY  57           HA1      GLY  57 -23.757 -17.828 -15.902
  421    H    TYR  58           HN       TYR  58 -25.887 -17.964 -17.114
  422    HA   TYR  58           HA       TYR  58 -26.777 -20.667 -17.756
  423    HB2  TYR  58           HB2      TYR  58 -27.676 -19.149 -15.325
  424    HB3  TYR  58           HB1      TYR  58 -28.702 -20.364 -16.072
  425    HD1  TYR  58           HD1      TYR  58 -25.392 -19.815 -14.437
  426    HD2  TYR  58           HD2      TYR  58 -28.265 -22.681 -15.817
  427    HE1  TYR  58           HE1      TYR  58 -24.136 -21.612 -13.299
  428    HE2  TYR  58           HE2      TYR  58 -27.012 -24.488 -14.672
  429    HH   TYR  58           HH       TYR  58 -23.869 -23.907 -13.238
  430    H    MET  59           HN       MET  59 -29.303 -20.517 -18.074
  431    HA   MET  59           HA       MET  59 -30.075 -17.933 -19.257
  432    HB2  MET  59           HB2      MET  59 -29.974 -20.585 -20.707
  433    HB3  MET  59           HB1      MET  59 -30.907 -19.203 -21.282
  434    HG2  MET  59           HG2      MET  59 -28.868 -17.841 -21.355
  435    HG3  MET  59           HG1      MET  59 -27.927 -19.195 -20.735
  436    HE1  MET  59           HE1      MET  59 -26.347 -18.923 -22.408
  437    HE2  MET  59           HE2      MET  59 -27.003 -17.863 -23.651
  438    HE3  MET  59           HE3      MET  59 -26.441 -19.477 -24.083
  439    H    TYR  60           HN       TYR  60 -31.561 -17.784 -17.513
  440    HA   TYR  60           HA       TYR  60 -33.808 -19.723 -17.592
  441    HB2  TYR  60           HB2      TYR  60 -32.552 -19.306 -15.383
  442    HB3  TYR  60           HB1      TYR  60 -33.302 -17.720 -15.390
  443    HD1  TYR  60           HD2      TYR  60 -35.822 -17.537 -15.517
  444    HD2  TYR  60           HD1      TYR  60 -33.783 -21.233 -14.749
  445    HE1  TYR  60           HE2      TYR  60 -37.920 -18.506 -14.617
  446    HE2  TYR  60           HE1      TYR  60 -35.875 -22.201 -13.847
  447    HH   TYR  60           HH       TYR  60 -38.585 -21.515 -14.358
  448    H    ILE  61           HN       ILE  61 -35.800 -18.997 -18.144
  449    HA   ILE  61           HA       ILE  61 -36.019 -16.166 -18.978
  450    HB   ILE  61           HB       ILE  61 -37.642 -18.604 -19.728
  451   HG12  ILE  61          HG12      ILE  61 -36.623 -18.078 -21.994
  452   HG13  ILE  61          HG11      ILE  61 -35.566 -16.933 -21.171
  453   HG21  ILE  61          HG21      ILE  61 -39.123 -16.742 -19.801
  454   HG22  ILE  61          HG22      ILE  61 -38.567 -16.970 -21.459
  455   HG23  ILE  61          HG23      ILE  61 -37.876 -15.687 -20.467
  456   HD11  ILE  61          HD11      ILE  61 -35.655 -19.703 -20.041
  457   HD12  ILE  61          HD12      ILE  61 -34.298 -18.589 -20.211
  458   HD13  ILE  61          HD13      ILE  61 -34.865 -19.502 -21.604
  459    H    LEU  62           HN       LEU  62 -36.539 -15.266 -16.916
  460    HA   LEU  62           HA       LEU  62 -38.585 -16.359 -15.278
  461    HB2  LEU  62           HB2      LEU  62 -36.721 -14.159 -15.194
  462    HB3  LEU  62           HB1      LEU  62 -38.307 -13.569 -14.707
  463    HG   LEU  62           HG       LEU  62 -37.029 -16.079 -13.541
  464   HD11  LEU  62          HD11      LEU  62 -36.921 -13.184 -12.651
  465   HD12  LEU  62          HD12      LEU  62 -35.570 -14.287 -12.921
  466   HD13  LEU  62          HD13      LEU  62 -36.643 -14.524 -11.539
  467   HD21  LEU  62          HD21      LEU  62 -39.296 -16.216 -13.033
  468   HD22  LEU  62          HD22      LEU  62 -39.518 -14.466 -12.985
  469   HD23  LEU  62          HD23      LEU  62 -38.715 -15.290 -11.649
  470    HA   PRO  63           HA       PRO  63 -41.761 -14.555 -17.992
  471    HB2  PRO  63           HB2      PRO  63 -43.867 -16.079 -17.252
  472    HB3  PRO  63           HB1      PRO  63 -42.549 -16.716 -18.258
  473    HG2  PRO  63           HG2      PRO  63 -43.076 -17.121 -15.354
  474    HG3  PRO  63           HG1      PRO  63 -42.421 -18.253 -16.548
  475    HD2  PRO  63           HD2      PRO  63 -40.896 -16.762 -14.710
  476    HD3  PRO  63           HD1      PRO  63 -40.275 -17.579 -16.149
  477    H    GLN  64           HN       GLN  64 -43.817 -13.397 -17.716
  478    HA   GLN  64           HA       GLN  64 -43.805 -11.532 -15.655
  479    HB2  GLN  64           HB2      GLN  64 -45.164 -11.664 -17.925
  480    HB3  GLN  64           HB1      GLN  64 -46.421 -12.355 -16.901
  481    HG2  GLN  64           HG2      GLN  64 -45.118  -9.643 -16.639
  482    HG3  GLN  64           HG1      GLN  64 -46.808  -9.993 -16.960
  483   HE21  GLN  64          HE21      GLN  64 -44.639  -9.227 -14.465
  484   HE22  GLN  64          HE22      GLN  64 -45.599  -9.720 -13.155
  485    H    GLY  65           HN       GLY  65 -44.082 -11.840 -13.537
  486    HA2  GLY  65           HA2      GLY  65 -46.349 -12.870 -12.322
  487    HA3  GLY  65           HA1      GLY  65 -45.206 -14.206 -12.419
  488    H    GLU  66           HN       GLU  66 -45.782 -13.665  -9.948
  489    HA   GLU  66           HA       GLU  66 -43.835 -11.731  -8.893
  490    HB2  GLU  66           HB2      GLU  66 -46.170 -13.146  -7.604
  491    HB3  GLU  66           HB1      GLU  66 -45.041 -12.100  -6.741
  492    HG2  GLU  66           HG2      GLU  66 -45.606 -10.232  -8.226
  493    HG3  GLU  66           HG1      GLU  66 -46.704 -11.272  -9.131
  494    H    TYR  67           HN       TYR  67 -42.396 -12.337  -7.240
  495    HA   TYR  67           HA       TYR  67 -41.996 -15.187  -6.736
  496    HB2  TYR  67           HB2      TYR  67 -39.735 -13.490  -7.817
  497    HB3  TYR  67           HB1      TYR  67 -39.660 -15.167  -7.350
  498    HD1  TYR  67           HD1      TYR  67 -41.508 -12.907  -9.761
  499    HD2  TYR  67           HD2      TYR  67 -40.126 -16.877  -8.886
  500    HE1  TYR  67           HE1      TYR  67 -42.305 -13.659 -11.955
  501    HE2  TYR  67           HE2      TYR  67 -40.937 -17.631 -11.089
  502    HH   TYR  67           HH       TYR  67 -42.999 -15.698 -13.040
  503    HA   PRO  68           HA       PRO  68 -41.541 -12.531  -2.985
  504    HB2  PRO  68           HB2      PRO  68 -42.277 -14.476  -1.174
  505    HB3  PRO  68           HB1      PRO  68 -43.414 -13.404  -2.010
  506    HG2  PRO  68           HG2      PRO  68 -42.675 -16.226  -2.617
  507    HG3  PRO  68           HG1      PRO  68 -44.257 -15.432  -2.699
  508    HD2  PRO  68           HD2      PRO  68 -42.762 -15.937  -4.897
  509    HD3  PRO  68           HD1      PRO  68 -43.852 -14.537  -4.804
  510    H    GLU  69           HN       GLU  69 -40.002 -15.430  -3.943
  511    HA   GLU  69           HA       GLU  69 -37.697 -14.740  -2.299
  512    HB2  GLU  69           HB2      GLU  69 -39.103 -17.421  -2.143
  513    HB3  GLU  69           HB1      GLU  69 -37.472 -17.122  -1.542
  514    HG2  GLU  69           HG2      GLU  69 -38.389 -15.307  -0.087
  515    HG3  GLU  69           HG1      GLU  69 -40.010 -15.736  -0.627
  516    H    TYR  70           HN       TYR  70 -35.783 -15.971  -3.011
  517    HA   TYR  70           HA       TYR  70 -35.590 -16.028  -5.816
  518    HB2  TYR  70           HB2      TYR  70 -33.343 -17.072  -5.398
  519    HB3  TYR  70           HB1      TYR  70 -33.614 -15.566  -4.522
  520    HD1  TYR  70           HD2      TYR  70 -34.430 -15.715  -2.081
  521    HD2  TYR  70           HD1      TYR  70 -32.824 -19.068  -4.246
  522    HE1  TYR  70           HE2      TYR  70 -34.028 -16.901   0.052
  523    HE2  TYR  70           HE1      TYR  70 -32.414 -20.247  -2.102
  524    HH   TYR  70           HH       TYR  70 -32.837 -18.643   0.991
  525    H    GLN  71           HN       GLN  71 -35.655 -18.690  -3.447
  526    HA   GLN  71           HA       GLN  71 -35.388 -20.902  -5.030
  527    HB2  GLN  71           HB2      GLN  71 -37.444 -20.644  -2.833
  528    HB3  GLN  71           HB1      GLN  71 -36.718 -22.137  -3.434
  529    HG2  GLN  71           HG2      GLN  71 -34.471 -21.194  -2.786
  530    HG3  GLN  71           HG1      GLN  71 -35.336 -19.876  -1.991
  531   HE21  GLN  71          HE21      GLN  71 -37.227 -20.812  -0.493
  532   HE22  GLN  71          HE22      GLN  71 -36.755 -22.102   0.515
  533    H    ARG  72           HN       ARG  72 -37.761 -18.573  -5.406
  534    HA   ARG  72           HA       ARG  72 -39.892 -20.227  -6.364
  535    HB2  ARG  72           HB2      ARG  72 -39.321 -17.303  -6.771
  536    HB3  ARG  72           HB1      ARG  72 -40.861 -18.094  -7.082
  537    HG2  ARG  72           HG2      ARG  72 -39.555 -18.178  -4.359
  538    HG3  ARG  72           HG1      ARG  72 -40.588 -16.837  -4.844
  539    HD2  ARG  72           HD2      ARG  72 -41.391 -19.759  -4.754
  540    HD3  ARG  72           HD1      ARG  72 -41.917 -18.493  -3.651
  541    HE   ARG  72           HE       ARG  72 -42.557 -17.639  -6.229
  542   HH11  ARG  72          HH21      ARG  72 -43.304 -20.211  -4.048
  543   HH12  ARG  72          HH22      ARG  72 -44.910 -20.443  -4.654
  544   HH21  ARG  72          HH11      ARG  72 -44.650 -17.931  -7.035
  545   HH22  ARG  72          HH12      ARG  72 -45.675 -19.149  -6.350
  546    H    TRP  73           HN       TRP  73 -36.887 -19.498  -7.637
  547    HA   TRP  73           HA       TRP  73 -37.864 -19.836 -10.437
  548    HB2  TRP  73           HB2      TRP  73 -35.797 -18.687 -11.164
  549    HB3  TRP  73           HB1      TRP  73 -36.827 -17.659 -10.173
  550    HD1  TRP  73           HD1      TRP  73 -34.967 -20.137  -8.111
  551    HE1  TRP  73           HE1      TRP  73 -33.069 -19.042  -6.872
  552    HE3  TRP  73           HE3      TRP  73 -34.883 -15.713 -10.575
  553    HZ2  TRP  73           HZ2      TRP  73 -31.658 -16.556  -6.913
  554    HZ3  TRP  73           HZ3      TRP  73 -33.219 -13.989  -9.962
  555    HH2  TRP  73           HH2      TRP  73 -31.604 -14.412  -8.132
  556    H    MET  74           HN       MET  74 -37.182 -21.844  -8.333
  557    HA   MET  74           HA       MET  74 -36.378 -23.987  -8.438
  558    HB2  MET  74           HB2      MET  74 -34.566 -23.243 -10.736
  559    HB3  MET  74           HB1      MET  74 -35.115 -24.838 -10.256
  560    HG2  MET  74           HG2      MET  74 -36.619 -22.693 -11.738
  561    HG3  MET  74           HG1      MET  74 -36.499 -24.412 -12.080
  562    HE1  MET  74           HE1      MET  74 -38.008 -26.162 -11.309
  563    HE2  MET  74           HE2      MET  74 -38.843 -26.145  -9.760
  564    HE3  MET  74           HE3      MET  74 -37.087 -26.007  -9.808
  565    H    GLY  75           HN       GLY  75 -35.245 -21.601  -7.077
  566    HA2  GLY  75           HA2      GLY  75 -33.276 -20.885  -5.991
  567    HA3  GLY  75           HA1      GLY  75 -33.413 -22.527  -5.371
  568    H    LEU  76           HN       LEU  76 -32.386 -21.103  -8.500
  569    HA   LEU  76           HA       LEU  76 -30.274 -23.040  -8.800
  570    HB2  LEU  76           HB2      LEU  76 -30.721 -20.491 -10.358
  571    HB3  LEU  76           HB1      LEU  76 -29.844 -21.930 -10.890
  572    HG   LEU  76           HG       LEU  76 -32.797 -21.895 -10.209
  573   HD11  LEU  76          HD11      LEU  76 -32.198 -20.506 -12.205
  574   HD12  LEU  76          HD12      LEU  76 -33.194 -21.905 -12.607
  575   HD13  LEU  76          HD13      LEU  76 -31.460 -21.936 -12.927
  576   HD21  LEU  76          HD21      LEU  76 -31.971 -24.124  -9.977
  577   HD22  LEU  76          HD22      LEU  76 -30.887 -23.950 -11.355
  578   HD23  LEU  76          HD23      LEU  76 -32.622 -24.076 -11.614
  579    H    ASN  77           HN       ASN  77 -30.395 -20.810  -6.635
  580    HA   ASN  77           HA       ASN  77 -28.426 -20.239  -5.374
  581    HB2  ASN  77           HB2      ASN  77 -26.857 -20.903  -7.215
  582    HB3  ASN  77           HB1      ASN  77 -27.234 -19.382  -8.019
  583   HD21  ASN  77          HD21      ASN  77 -25.016 -18.699  -7.832
  584   HD22  ASN  77          HD22      ASN  77 -24.388 -18.186  -6.335
  585    H    ASP  78           HN       ASP  78 -27.667 -17.995  -4.886
  586    HA   ASP  78           HA       ASP  78 -29.798 -16.074  -5.547
  587    HB2  ASP  78           HB2      ASP  78 -28.944 -14.791  -3.643
  588    HB3  ASP  78           HB1      ASP  78 -29.319 -16.444  -3.166
  589    H    ARG  79           HN       ARG  79 -28.588 -16.058  -7.746
  590    HA   ARG  79           HA       ARG  79 -26.860 -13.686  -7.739
  591    HB2  ARG  79           HB2      ARG  79 -25.440 -15.810  -7.782
  592    HB3  ARG  79           HB1      ARG  79 -26.154 -16.138  -9.354
  593    HG2  ARG  79           HG2      ARG  79 -24.477 -14.860 -10.232
  594    HG3  ARG  79           HG1      ARG  79 -25.356 -13.468  -9.603
  595    HD2  ARG  79           HD2      ARG  79 -23.180 -15.015  -8.165
  596    HD3  ARG  79           HD1      ARG  79 -23.030 -13.401  -8.854
  597    HE   ARG  79           HE       ARG  79 -25.163 -13.311  -7.063
  598   HH11  ARG  79          HH21      ARG  79 -21.769 -13.969  -7.062
  599   HH12  ARG  79          HH22      ARG  79 -21.519 -13.404  -5.444
  600   HH21  ARG  79          HH11      ARG  79 -24.851 -12.574  -4.943
  601   HH22  ARG  79          HH12      ARG  79 -23.267 -12.613  -4.242
  602    H    LEU  80           HN       LEU  80 -27.766 -12.274  -9.104
  603    HA   LEU  80           HA       LEU  80 -28.823 -13.250 -11.668
  604    HB2  LEU  80           HB2      LEU  80 -30.600 -12.901  -9.686
  605    HB3  LEU  80           HB1      LEU  80 -30.461 -11.218 -10.189
  606    HG   LEU  80           HG       LEU  80 -32.292 -12.252 -11.394
  607   HD11  LEU  80          HD11      LEU  80 -30.546 -10.676 -12.519
  608   HD12  LEU  80          HD12      LEU  80 -31.737 -11.487 -13.522
  609   HD13  LEU  80          HD13      LEU  80 -30.093 -12.114 -13.438
  610   HD21  LEU  80          HD21      LEU  80 -30.888 -14.604 -11.257
  611   HD22  LEU  80          HD22      LEU  80 -30.585 -14.150 -12.933
  612   HD23  LEU  80          HD23      LEU  80 -32.239 -14.329 -12.351
  613    H    SER  81           HN       SER  81 -28.197 -12.015 -13.285
  614    HA   SER  81           HA       SER  81 -27.025  -9.362 -12.684
  615    HB2  SER  81           HB2      SER  81 -25.401  -9.790 -14.227
  616    HB3  SER  81           HB1      SER  81 -25.730 -11.448 -13.755
  617    HG   SER  81           HG       SER  81 -26.777 -11.777 -15.599
  618    H    SER  82           HN       SER  82 -26.868  -8.453 -15.331
  619    HA   SER  82           HA       SER  82 -29.189  -7.064 -15.687
  620    HB2  SER  82           HB2      SER  82 -28.511  -6.943 -18.131
  621    HB3  SER  82           HB1      SER  82 -27.284  -6.448 -16.969
  622    HG   SER  82           HG       SER  82 -26.747  -8.046 -18.746
  623    H    CYS  83           HN       CYS  83 -30.484  -7.318 -17.936
  624    HA   CYS  83           HA       CYS  83 -31.329 -10.083 -18.340
  625    HB2  CYS  83           HB2      CYS  83 -33.611  -9.714 -17.735
  626    HB3  CYS  83           HB1      CYS  83 -32.641  -9.099 -16.393
  627    HG   CYS  83           HG       CYS  83 -34.530  -7.434 -17.992
  628    H    ARG  84           HN       ARG  84 -32.499 -10.384 -20.291
  629    HA   ARG  84           HA       ARG  84 -32.508  -8.040 -22.115
  630    HB2  ARG  84           HB2      ARG  84 -32.325 -10.928 -22.972
  631    HB3  ARG  84           HB1      ARG  84 -31.959  -9.479 -23.906
  632    HG2  ARG  84           HG2      ARG  84 -30.408 -10.402 -21.467
  633    HG3  ARG  84           HG1      ARG  84 -29.894 -10.630 -23.137
  634    HD2  ARG  84           HD2      ARG  84 -30.258  -8.015 -21.661
  635    HD3  ARG  84           HD1      ARG  84 -28.770  -8.676 -22.331
  636    HE   ARG  84           HE       ARG  84 -30.862  -7.299 -23.798
  637   HH11  ARG  84          HH21      ARG  84 -28.172  -9.471 -23.871
  638   HH12  ARG  84          HH22      ARG  84 -27.814  -9.194 -25.544
  639   HH21  ARG  84          HH11      ARG  84 -30.404  -6.930 -25.992
  640   HH22  ARG  84          HH12      ARG  84 -29.080  -7.754 -26.744
  641    H    ALA  85           HN       ALA  85 -34.439  -7.446 -22.863
  642    HA   ALA  85           HA       ALA  85 -36.841  -8.661 -22.018
  643    HB1  ALA  85           HB1      ALA  85 -37.915  -7.143 -23.679
  644    HB2  ALA  85           HB2      ALA  85 -36.312  -6.719 -24.281
  645    HB3  ALA  85           HB3      ALA  85 -36.771  -6.308 -22.628
  646    H    VAL  86           HN       VAL  86 -37.912 -10.369 -22.754
  647    HA   VAL  86           HA       VAL  86 -37.324 -11.313 -25.530
  648    HB   VAL  86           HB       VAL  86 -37.746 -12.922 -22.996
  649   HG11  VAL  86          HG11      VAL  86 -38.924 -14.080 -24.734
  650   HG12  VAL  86          HG12      VAL  86 -37.355 -14.872 -24.593
  651   HG13  VAL  86          HG13      VAL  86 -37.650 -13.734 -25.903
  652   HG21  VAL  86          HG21      VAL  86 -35.485 -13.882 -23.900
  653   HG22  VAL  86          HG22      VAL  86 -35.472 -12.322 -23.082
  654   HG23  VAL  86          HG23      VAL  86 -35.409 -12.393 -24.842
  655    H    HIS  87           HN       HIS  87 -39.010 -11.583 -26.814
  656    HA   HIS  87           HA       HIS  87 -41.721 -11.296 -25.663
  657    HB2  HIS  87           HB2      HIS  87 -40.909 -11.136 -28.573
  658    HB3  HIS  87           HB1      HIS  87 -42.431 -10.617 -27.847
  659    HD2  HIS  87           HD2      HIS  87 -41.898  -8.454 -25.777
  660    HE1  HIS  87           HE1      HIS  87 -38.608  -7.022 -28.004
  661    HE2  HIS  87           HE2      HIS  87 -40.229  -6.475 -26.128
  662    H    LEU  88           HN       LEU  88 -43.426 -12.615 -26.623
  663    HA   LEU  88           HA       LEU  88 -42.628 -15.385 -26.707
  664    HB2  LEU  88           HB2      LEU  88 -45.457 -14.920 -27.325
  665    HB3  LEU  88           HB1      LEU  88 -44.740 -15.758 -25.950
  666    HG   LEU  88           HG       LEU  88 -45.079 -12.754 -26.217
  667   HD11  LEU  88          HD11      LEU  88 -46.554 -14.860 -24.628
  668   HD12  LEU  88          HD12      LEU  88 -47.208 -13.776 -25.855
  669   HD13  LEU  88          HD13      LEU  88 -46.683 -13.129 -24.302
  670   HD21  LEU  88          HD21      LEU  88 -43.439 -12.640 -24.651
  671   HD22  LEU  88          HD22      LEU  88 -43.389 -14.390 -24.455
  672   HD23  LEU  88          HD23      LEU  88 -44.538 -13.426 -23.530
  673    HA   PRO  89           HA       PRO  89 -42.662 -15.914 -31.094
  674    HB2  PRO  89           HB2      PRO  89 -43.567 -18.471 -31.391
  675    HB3  PRO  89           HB1      PRO  89 -41.967 -18.095 -30.722
  676    HG2  PRO  89           HG2      PRO  89 -44.493 -18.824 -29.298
  677    HG3  PRO  89           HG1      PRO  89 -42.826 -19.339 -28.976
  678    HD2  PRO  89           HD2      PRO  89 -44.068 -17.356 -27.530
  679    HD3  PRO  89           HD1      PRO  89 -42.311 -17.421 -27.783
  680    H    SER  90           HN       SER  90 -43.971 -15.864 -32.925
  681    HA   SER  90           HA       SER  90 -46.795 -16.390 -32.794
  682    HB2  SER  90           HB2      SER  90 -47.523 -14.083 -33.252
  683    HB3  SER  90           HB1      SER  90 -46.731 -14.200 -31.682
  684    HG   SER  90           HG       SER  90 -45.573 -13.333 -34.132
  685    H    GLY  91           HN       GLY  91 -43.911 -15.535 -34.453
  686    HA2  GLY  91           HA2      GLY  91 -45.205 -15.383 -37.073
  687    HA3  GLY  91           HA1      GLY  91 -43.500 -15.125 -36.727
  688    H    GLY  92           HN       GLY  92 -45.728 -17.828 -36.082
  689    HA2  GLY  92           HA2      GLY  92 -45.170 -19.661 -37.933
  690    HA3  GLY  92           HA1      GLY  92 -43.699 -19.734 -36.962
  691    H    GLN  93           HN       GLN  93 -46.969 -19.120 -35.810
  692    HA   GLN  93           HA       GLN  93 -48.017 -20.081 -33.966
  693    HB2  GLN  93           HB2      GLN  93 -48.626 -22.547 -34.604
  694    HB3  GLN  93           HB1      GLN  93 -49.216 -21.225 -35.611
  695    HG2  GLN  93           HG2      GLN  93 -47.410 -21.565 -37.209
  696    HG3  GLN  93           HG1      GLN  93 -46.681 -22.786 -36.172
  697   HE21  GLN  93          HE21      GLN  93 -48.391 -24.641 -35.563
  698   HE22  GLN  93          HE22      GLN  93 -49.283 -25.219 -36.893
  699    H    TYR  94           HN       TYR  94 -46.903 -23.254 -34.466
  700    HA   TYR  94           HA       TYR  94 -44.663 -23.109 -32.636
  701    HB2  TYR  94           HB2      TYR  94 -46.780 -23.049 -31.227
  702    HB3  TYR  94           HB1      TYR  94 -47.051 -24.705 -31.757
  703    HD1  TYR  94           HD1      TYR  94 -44.459 -22.492 -30.257
  704    HD2  TYR  94           HD2      TYR  94 -45.997 -26.486 -30.603
  705    HE1  TYR  94           HE1      TYR  94 -42.847 -23.256 -28.542
  706    HE2  TYR  94           HE2      TYR  94 -44.379 -27.254 -28.884
  707    HH   TYR  94           HH       TYR  94 -41.875 -25.105 -27.638
  708    H    LYS  95           HN       LYS  95 -43.248 -24.378 -33.648
  709    HA   LYS  95           HA       LYS  95 -43.982 -27.132 -34.267
  710    HB2  LYS  95           HB2      LYS  95 -44.640 -25.877 -36.303
  711    HB3  LYS  95           HB1      LYS  95 -42.996 -25.261 -36.433
  712    HG2  LYS  95           HG2      LYS  95 -43.249 -27.158 -37.924
  713    HG3  LYS  95           HG1      LYS  95 -42.173 -27.607 -36.610
  714    HD2  LYS  95           HD2      LYS  95 -43.744 -28.996 -35.591
  715    HD3  LYS  95           HD1      LYS  95 -45.111 -28.177 -36.344
  716    HE2  LYS  95           HE2      LYS  95 -44.819 -30.337 -37.414
  717    HE3  LYS  95           HE1      LYS  95 -44.354 -29.084 -38.557
  718    HZ1  LYS  95           HZ1      LYS  95 -42.806 -31.089 -38.232
  719    HZ2  LYS  95           HZ2      LYS  95 -42.337 -30.313 -36.796
  720    HZ3  LYS  95           HZ3      LYS  95 -42.120 -29.538 -38.292
  721    H    ILE  96           HN       ILE  96 -42.353 -28.445 -33.845
  722    HA   ILE  96           HA       ILE  96 -39.569 -27.437 -33.936
  723    HB   ILE  96           HB       ILE  96 -40.003 -27.380 -31.636
  724   HG12  ILE  96          HG12      ILE  96 -39.013 -30.213 -31.963
  725   HG13  ILE  96          HG11      ILE  96 -38.017 -28.821 -32.376
  726   HG21  ILE  96          HG21      ILE  96 -41.202 -29.187 -30.434
  727   HG22  ILE  96          HG22      ILE  96 -41.428 -30.031 -31.966
  728   HG23  ILE  96          HG23      ILE  96 -42.205 -28.473 -31.696
  729   HD11  ILE  96          HD11      ILE  96 -37.534 -29.528 -30.087
  730   HD12  ILE  96          HD12      ILE  96 -39.240 -29.402 -29.663
  731   HD13  ILE  96          HD13      ILE  96 -38.318 -27.951 -30.066
  732    H    GLN  97           HN       GLN  97 -38.065 -28.841 -34.608
  733    HA   GLN  97           HA       GLN  97 -38.896 -31.604 -35.273
  734    HB2  GLN  97           HB2      GLN  97 -37.500 -29.551 -36.940
  735    HB3  GLN  97           HB1      GLN  97 -36.980 -31.225 -37.100
  736    HG2  GLN  97           HG2      GLN  97 -39.263 -31.928 -37.616
  737    HG3  GLN  97           HG1      GLN  97 -39.855 -30.294 -37.370
  738   HE21  GLN  97          HE21      GLN  97 -36.733 -30.425 -38.835
  739   HE22  GLN  97          HE22      GLN  97 -37.235 -30.140 -40.436
  740    H    ILE  98           HN       ILE  98 -37.652 -33.122 -34.435
  741    HA   ILE  98           HA       ILE  98 -35.071 -32.311 -33.199
  742    HB   ILE  98           HB       ILE  98 -36.780 -34.628 -32.271
  743   HG12  ILE  98          HG12      ILE  98 -36.970 -31.750 -31.321
  744   HG13  ILE  98          HG11      ILE  98 -38.213 -32.590 -32.252
  745   HG21  ILE  98          HG21      ILE  98 -35.568 -34.201 -30.172
  746   HG22  ILE  98          HG22      ILE  98 -34.799 -32.806 -30.913
  747   HG23  ILE  98          HG23      ILE  98 -34.439 -34.424 -31.511
  748   HD11  ILE  98          HD11      ILE  98 -37.943 -34.379 -30.255
  749   HD12  ILE  98          HD12      ILE  98 -39.038 -33.002 -30.148
  750   HD13  ILE  98          HD13      ILE  98 -37.451 -32.919 -29.392
  751    H    PHE  99           HN       PHE  99 -33.304 -33.412 -33.806
  752    HA   PHE  99           HA       PHE  99 -33.704 -35.841 -35.480
  753    HB2  PHE  99           HB2      PHE  99 -31.675 -33.616 -35.587
  754    HB3  PHE  99           HB1      PHE  99 -31.310 -35.197 -36.280
  755    HD1  PHE  99           HD1      PHE  99 -33.845 -32.451 -36.330
  756    HD2  PHE  99           HD2      PHE  99 -32.127 -35.789 -38.420
  757    HE1  PHE  99           HE1      PHE  99 -35.153 -31.864 -38.349
  758    HE2  PHE  99           HE2      PHE  99 -33.438 -35.199 -40.442
  759    HZ   PHE  99           HZ       PHE  99 -34.953 -33.236 -40.405
  760    H    GLU 100           HN       GLU 100 -32.862 -37.687 -34.837
  761    HA   GLU 100           HA       GLU 100 -31.838 -38.055 -32.255
  762    HB2  GLU 100           HB2      GLU 100 -32.933 -39.847 -33.545
  763    HB3  GLU 100           HB1      GLU 100 -31.555 -39.884 -34.651
  764    HG2  GLU 100           HG2      GLU 100 -30.061 -40.513 -32.817
  765    HG3  GLU 100           HG1      GLU 100 -31.389 -40.378 -31.662
  766    H    LYS 101           HN       LYS 101 -30.254 -37.409 -35.293
  767    HA   LYS 101           HA       LYS 101 -27.605 -37.552 -33.946
  768    HB2  LYS 101           HB2      LYS 101 -28.230 -37.899 -36.881
  769    HB3  LYS 101           HB1      LYS 101 -26.663 -38.101 -36.104
  770    HG2  LYS 101           HG2      LYS 101 -27.505 -39.972 -34.808
  771    HG3  LYS 101           HG1      LYS 101 -29.124 -39.737 -35.457
  772    HD2  LYS 101           HD2      LYS 101 -28.278 -40.187 -37.729
  773    HD3  LYS 101           HD1      LYS 101 -26.660 -40.449 -37.074
  774    HE2  LYS 101           HE2      LYS 101 -27.520 -42.315 -35.702
  775    HE3  LYS 101           HE1      LYS 101 -29.132 -42.054 -36.367
  776    HZ1  LYS 101           HZ1      LYS 101 -26.748 -43.169 -37.648
  777    HZ2  LYS 101           HZ2      LYS 101 -27.829 -42.283 -38.613
  778    HZ3  LYS 101           HZ3      LYS 101 -28.367 -43.656 -37.769
  779    H    GLY 102           HN       GLY 102 -26.116 -35.900 -34.418
  780    HA2  GLY 102           HA2      GLY 102 -27.221 -33.316 -34.760
  781    HA3  GLY 102           HA1      GLY 102 -25.507 -33.702 -34.751
  782    H    ASP 103           HN       ASP 103 -26.084 -31.789 -36.419
  783    HA   ASP 103           HA       ASP 103 -26.007 -31.086 -38.592
  784    HB2  ASP 103           HB2      ASP 103 -24.032 -32.722 -38.460
  785    HB3  ASP 103           HB1      ASP 103 -25.078 -33.870 -39.293
  786    H    PHE 104           HN       PHE 104 -28.450 -32.347 -37.591
  787    HA   PHE 104           HA       PHE 104 -30.494 -33.045 -38.343
  788    HB2  PHE 104           HB2      PHE 104 -29.672 -32.320 -41.144
  789    HB3  PHE 104           HB1      PHE 104 -31.234 -32.128 -40.348
  790    HD1  PHE 104           HD2      PHE 104 -31.165 -30.631 -38.149
  791    HD2  PHE 104           HD1      PHE 104 -28.320 -30.425 -41.358
  792    HE1  PHE 104           HE2      PHE 104 -30.535 -28.346 -37.443
  793    HE2  PHE 104           HE1      PHE 104 -27.688 -28.137 -40.652
  794    HZ   PHE 104           HZ       PHE 104 -28.795 -27.101 -38.693
  795    H    SER 105           HN       SER 105 -29.944 -35.283 -37.906
  796    HA   SER 105           HA       SER 105 -30.226 -36.913 -40.259
  797    HB2  SER 105           HB2      SER 105 -27.611 -36.780 -38.797
  798    HB3  SER 105           HB1      SER 105 -28.128 -38.310 -39.503
  799    HG   SER 105           HG       SER 105 -27.603 -35.829 -40.750
  800    H    GLY 106           HN       GLY 106 -30.515 -39.184 -39.713
  801    HA2  GLY 106           HA2      GLY 106 -31.054 -40.963 -38.281
  802    HA3  GLY 106           HA1      GLY 106 -30.953 -39.865 -36.914
  803    H    GLN 107           HN       GLN 107 -32.910 -40.523 -36.045
  804    HA   GLN 107           HA       GLN 107 -35.351 -40.463 -37.572
  805    HB2  GLN 107           HB2      GLN 107 -35.175 -42.033 -35.738
  806    HB3  GLN 107           HB1      GLN 107 -34.824 -40.733 -34.602
  807    HG2  GLN 107           HG2      GLN 107 -37.189 -41.474 -34.469
  808    HG3  GLN 107           HG1      GLN 107 -37.066 -39.786 -34.960
  809   HE21  GLN 107          HE21      GLN 107 -38.936 -39.647 -36.264
  810   HE22  GLN 107          HE22      GLN 107 -39.178 -40.579 -37.664
  811    H    MET 108           HN       MET 108 -36.890 -38.889 -37.659
  812    HA   MET 108           HA       MET 108 -36.346 -36.399 -36.203
  813    HB2  MET 108           HB2      MET 108 -35.818 -36.033 -38.526
  814    HB3  MET 108           HB1      MET 108 -37.374 -36.713 -39.011
  815    HG2  MET 108           HG2      MET 108 -37.394 -34.441 -37.051
  816    HG3  MET 108           HG1      MET 108 -37.052 -34.073 -38.738
  817    HE1  MET 108           HE1      MET 108 -38.293 -34.818 -40.630
  818    HE2  MET 108           HE2      MET 108 -39.162 -33.333 -40.248
  819    HE3  MET 108           HE3      MET 108 -40.061 -34.774 -40.711
  820    H    TYR 109           HN       TYR 109 -37.953 -35.546 -35.034
  821    HA   TYR 109           HA       TYR 109 -40.667 -36.680 -35.394
  822    HB2  TYR 109           HB2      TYR 109 -39.179 -35.946 -32.875
  823    HB3  TYR 109           HB1      TYR 109 -40.913 -36.230 -32.947
  824    HD1  TYR 109           HD2      TYR 109 -41.620 -38.464 -34.242
  825    HD2  TYR 109           HD1      TYR 109 -37.816 -37.783 -32.367
  826    HE1  TYR 109           HE2      TYR 109 -41.251 -40.911 -34.099
  827    HE2  TYR 109           HE1      TYR 109 -37.445 -40.227 -32.227
  828    HH   TYR 109           HH       TYR 109 -39.766 -42.519 -33.639
  829    H    GLU 110           HN       GLU 110 -42.289 -35.306 -35.558
  830    HA   GLU 110           HA       GLU 110 -41.779 -32.413 -35.126
  831    HB2  GLU 110           HB2      GLU 110 -43.623 -32.244 -36.989
  832    HB3  GLU 110           HB1      GLU 110 -41.944 -32.518 -37.442
  833    HG2  GLU 110           HG2      GLU 110 -42.351 -34.914 -37.640
  834    HG3  GLU 110           HG1      GLU 110 -44.005 -34.708 -37.064
  835    H    THR 111           HN       THR 111 -43.065 -31.535 -33.638
  836    HA   THR 111           HA       THR 111 -45.835 -32.438 -33.362
  837    HB   THR 111           HB       THR 111 -44.393 -33.817 -31.803
  838    HG1  THR 111           HG1      THR 111 -45.824 -33.508 -30.092
  839   HG21  THR 111          HG21      THR 111 -43.323 -32.801 -29.947
  840   HG22  THR 111          HG22      THR 111 -44.139 -31.260 -30.217
  841   HG23  THR 111          HG23      THR 111 -42.872 -31.793 -31.324
  842    H    THR 112           HN       THR 112 -47.143 -30.774 -33.106
  843    HA   THR 112           HA       THR 112 -46.009 -28.112 -32.604
  844    HB   THR 112           HB       THR 112 -47.850 -27.259 -33.712
  845    HG1  THR 112           HG1      THR 112 -49.166 -29.431 -32.527
  846   HG21  THR 112          HG21      THR 112 -48.240 -30.020 -34.816
  847   HG22  THR 112          HG22      THR 112 -46.670 -29.247 -35.018
  848   HG23  THR 112          HG23      THR 112 -48.119 -28.487 -35.675
  849    H    GLU 113           HN       GLU 113 -46.067 -29.869 -30.395
  850    HA   GLU 113           HA       GLU 113 -47.773 -28.311 -28.577
  851    HB2  GLU 113           HB2      GLU 113 -48.357 -30.537 -27.408
  852    HB3  GLU 113           HB1      GLU 113 -49.227 -30.130 -28.892
  853    HG2  GLU 113           HG2      GLU 113 -47.757 -31.560 -30.201
  854    HG3  GLU 113           HG1      GLU 113 -46.761 -31.890 -28.785
  855    H    ASP 114           HN       ASP 114 -47.312 -29.334 -26.226
  856    HA   ASP 114           HA       ASP 114 -44.443 -28.989 -25.825
  857    HB2  ASP 114           HB2      ASP 114 -45.111 -29.169 -23.386
  858    HB3  ASP 114           HB1      ASP 114 -45.787 -27.809 -24.271
  859    H    CYS 115           HN       CYS 115 -43.224 -30.453 -24.513
  860    HA   CYS 115           HA       CYS 115 -44.215 -33.238 -24.536
  861    HB2  CYS 115           HB2      CYS 115 -42.714 -32.953 -26.417
  862    HB3  CYS 115           HB1      CYS 115 -41.476 -32.283 -25.359
  863    HG   CYS 115           HG       CYS 115 -40.936 -34.560 -24.490
  864    HA   PRO 116           HA       PRO 116 -42.519 -32.704 -20.360
  865    HB2  PRO 116           HB2      PRO 116 -43.456 -35.028 -19.264
  866    HB3  PRO 116           HB1      PRO 116 -44.505 -33.627 -19.559
  867    HG2  PRO 116           HG2      PRO 116 -44.215 -36.133 -21.148
  868    HG3  PRO 116           HG1      PRO 116 -45.673 -35.192 -20.790
  869    HD2  PRO 116           HD2      PRO 116 -44.276 -35.084 -23.191
  870    HD3  PRO 116           HD1      PRO 116 -45.345 -33.795 -22.593
  871    H    SER 117           HN       SER 117 -42.480 -36.045 -21.664
  872    HA   SER 117           HA       SER 117 -39.584 -36.258 -21.002
  873    HB2  SER 117           HB2      SER 117 -41.789 -38.307 -20.992
  874    HB3  SER 117           HB1      SER 117 -40.090 -38.769 -21.061
  875    HG   SER 117           HG       SER 117 -40.461 -36.896 -19.174
  876    H    ILE 118           HN       ILE 118 -38.412 -36.025 -22.814
  877    HA   ILE 118           HA       ILE 118 -39.492 -36.354 -25.419
  878    HB   ILE 118           HB       ILE 118 -37.442 -34.933 -24.434
  879   HG12  ILE 118          HG12      ILE 118 -37.510 -35.997 -27.274
  880   HG13  ILE 118          HG11      ILE 118 -38.501 -34.672 -26.662
  881   HG21  ILE 118          HG21      ILE 118 -36.030 -37.284 -25.711
  882   HG22  ILE 118          HG22      ILE 118 -36.065 -36.948 -23.979
  883   HG23  ILE 118          HG23      ILE 118 -35.282 -35.819 -25.082
  884   HD11  ILE 118          HD11      ILE 118 -36.758 -33.199 -26.623
  885   HD12  ILE 118          HD12      ILE 118 -36.215 -34.231 -27.932
  886   HD13  ILE 118          HD13      ILE 118 -35.539 -34.441 -26.324
  887    H    MET 119           HN       MET 119 -37.238 -38.252 -23.498
  888    HA   MET 119           HA       MET 119 -36.778 -40.255 -25.420
  889    HB2  MET 119           HB2      MET 119 -35.342 -39.855 -23.443
  890    HB3  MET 119           HB1      MET 119 -36.633 -40.481 -22.417
  891    HG2  MET 119           HG2      MET 119 -36.515 -42.647 -23.454
  892    HG3  MET 119           HG1      MET 119 -35.446 -42.043 -24.715
  893    HE1  MET 119           HE1      MET 119 -34.858 -44.640 -23.024
  894    HE2  MET 119           HE2      MET 119 -33.120 -44.432 -22.821
  895    HE3  MET 119           HE3      MET 119 -33.881 -43.984 -24.344
  896    H    GLU 120           HN       GLU 120 -39.477 -39.645 -23.376
  897    HA   GLU 120           HA       GLU 120 -40.383 -42.348 -23.194
  898    HB2  GLU 120           HB2      GLU 120 -41.132 -40.785 -21.553
  899    HB3  GLU 120           HB1      GLU 120 -41.734 -39.684 -22.792
  900    HG2  GLU 120           HG2      GLU 120 -42.814 -42.490 -22.650
  901    HG3  GLU 120           HG1      GLU 120 -43.421 -41.271 -21.544
  902    H    GLN 121           HN       GLN 121 -41.286 -39.576 -25.222
  903    HA   GLN 121           HA       GLN 121 -43.034 -41.349 -26.779
  904    HB2  GLN 121           HB2      GLN 121 -44.053 -39.327 -27.650
  905    HB3  GLN 121           HB1      GLN 121 -44.041 -39.306 -25.892
  906    HG2  GLN 121           HG2      GLN 121 -42.609 -37.511 -25.774
  907    HG3  GLN 121           HG1      GLN 121 -41.651 -38.051 -27.150
  908   HE21  GLN 121          HE21      GLN 121 -42.911 -35.352 -26.545
  909   HE22  GLN 121          HE22      GLN 121 -43.824 -34.982 -27.923
  910    H    PHE 122           HN       PHE 122 -40.061 -39.562 -27.027
  911    HA   PHE 122           HA       PHE 122 -39.952 -40.159 -29.922
  912    HB2  PHE 122           HB2      PHE 122 -38.475 -38.054 -28.335
  913    HB3  PHE 122           HB1      PHE 122 -38.257 -38.369 -30.054
  914    HD1  PHE 122           HD2      PHE 122 -40.928 -38.696 -31.164
  915    HD2  PHE 122           HD1      PHE 122 -39.649 -36.050 -28.040
  916    HE1  PHE 122           HE2      PHE 122 -42.806 -37.187 -31.666
  917    HE2  PHE 122           HE1      PHE 122 -41.522 -34.529 -28.552
  918    HZ   PHE 122           HZ       PHE 122 -43.108 -35.101 -30.366
  919    H    HIS 123           HN       HIS 123 -38.949 -41.363 -27.062
  920    HA   HIS 123           HA       HIS 123 -37.242 -42.796 -26.454
  921    HB2  HIS 123           HB2      HIS 123 -37.313 -43.254 -29.433
  922    HB3  HIS 123           HB1      HIS 123 -36.453 -44.283 -28.285
  923    HD2  HIS 123           HD2      HIS 123 -38.901 -45.825 -29.689
  924    HE1  HIS 123           HE1      HIS 123 -41.174 -44.880 -26.257
  925    HE2  HIS 123           HE2      HIS 123 -41.047 -46.381 -28.304
  926    H    MET 124           HN       MET 124 -36.634 -39.953 -27.675
  927    HA   MET 124           HA       MET 124 -33.893 -40.246 -28.524
  928    HB2  MET 124           HB2      MET 124 -35.684 -37.889 -27.944
  929    HB3  MET 124           HB1      MET 124 -33.963 -37.697 -28.265
  930    HG2  MET 124           HG2      MET 124 -34.177 -38.752 -30.430
  931    HG3  MET 124           HG1      MET 124 -35.858 -39.166 -30.109
  932    HE1  MET 124           HE1      MET 124 -35.867 -36.670 -32.967
  933    HE2  MET 124           HE2      MET 124 -35.123 -38.199 -32.508
  934    HE3  MET 124           HE3      MET 124 -34.166 -36.724 -32.499
  935    H    ARG 125           HN       ARG 125 -32.123 -40.120 -27.289
  936    HA   ARG 125           HA       ARG 125 -32.498 -39.712 -24.387
  937    HB2  ARG 125           HB2      ARG 125 -30.140 -40.875 -24.428
  938    HB3  ARG 125           HB1      ARG 125 -31.596 -41.845 -24.639
  939    HG2  ARG 125           HG2      ARG 125 -31.326 -41.823 -27.049
  940    HG3  ARG 125           HG1      ARG 125 -29.967 -40.705 -26.923
  941    HD2  ARG 125           HD2      ARG 125 -29.138 -42.983 -27.230
  942    HD3  ARG 125           HD1      ARG 125 -28.720 -42.404 -25.620
  943    HE   ARG 125           HE       ARG 125 -30.239 -43.936 -24.702
  944   HH11  ARG 125          HH21      ARG 125 -30.454 -43.801 -28.158
  945   HH12  ARG 125          HH22      ARG 125 -31.411 -45.238 -28.290
  946   HH21  ARG 125          HH11      ARG 125 -31.493 -45.818 -24.874
  947   HH22  ARG 125          HH12      ARG 125 -31.999 -46.380 -26.433
  948    H    GLU 126           HN       GLU 126 -30.810 -38.592 -27.243
  949    HA   GLU 126           HA       GLU 126 -29.810 -36.322 -25.725
  950    HB2  GLU 126           HB2      GLU 126 -27.847 -37.966 -27.330
  951    HB3  GLU 126           HB1      GLU 126 -27.505 -36.537 -26.376
  952    HG2  GLU 126           HG2      GLU 126 -28.228 -37.766 -24.338
  953    HG3  GLU 126           HG1      GLU 126 -28.427 -39.212 -25.320
  954    H    ILE 127           HN       ILE 127 -30.693 -34.766 -26.851
  955    HA   ILE 127           HA       ILE 127 -31.096 -34.895 -29.697
  956    HB   ILE 127           HB       ILE 127 -31.284 -32.402 -27.998
  957   HG12  ILE 127          HG12      ILE 127 -32.617 -33.955 -26.771
  958   HG13  ILE 127          HG11      ILE 127 -33.762 -33.116 -27.817
  959   HG21  ILE 127          HG21      ILE 127 -31.523 -32.020 -30.369
  960   HG22  ILE 127          HG22      ILE 127 -33.121 -31.935 -29.653
  961   HG23  ILE 127          HG23      ILE 127 -32.615 -33.378 -30.533
  962   HD11  ILE 127          HD11      ILE 127 -33.450 -35.010 -29.484
  963   HD12  ILE 127          HD12      ILE 127 -34.286 -35.438 -27.996
  964   HD13  ILE 127          HD13      ILE 127 -32.597 -35.877 -28.208
  965    H    HIS 128           HN       HIS 128 -29.755 -34.389 -31.247
  966    HA   HIS 128           HA       HIS 128 -27.237 -32.988 -30.587
  967    HB2  HIS 128           HB2      HIS 128 -27.942 -34.823 -32.862
  968    HB3  HIS 128           HB1      HIS 128 -26.354 -34.113 -32.590
  969    HD2  HIS 128           HD2      HIS 128 -24.891 -35.300 -30.464
  970    HE1  HIS 128           HE1      HIS 128 -27.727 -38.307 -29.618
  971    HE2  HIS 128           HE2      HIS 128 -25.358 -37.507 -29.150
  972    H    SER 129           HN       SER 129 -30.009 -32.982 -32.762
  973    HA   SER 129           HA       SER 129 -29.388 -30.229 -33.503
  974    HB2  SER 129           HB2      SER 129 -28.159 -31.270 -35.239
  975    HB3  SER 129           HB1      SER 129 -29.400 -32.496 -35.497
  976    HG   SER 129           HG       SER 129 -30.557 -30.145 -35.745
  977    H    CYS 130           HN       CYS 130 -31.124 -29.085 -34.253
  978    HA   CYS 130           HA       CYS 130 -33.693 -30.418 -34.670
  979    HB2  CYS 130           HB2      CYS 130 -34.016 -30.096 -32.385
  980    HB3  CYS 130           HB1      CYS 130 -33.043 -28.627 -32.352
  981    HG   CYS 130           HG       CYS 130 -36.012 -28.689 -32.735
  982    H    LYS 131           HN       LYS 131 -34.755 -29.476 -36.287
  983    HA   LYS 131           HA       LYS 131 -33.786 -26.882 -37.287
  984    HB2  LYS 131           HB2      LYS 131 -35.528 -28.960 -38.633
  985    HB3  LYS 131           HB1      LYS 131 -34.901 -27.493 -39.384
  986    HG2  LYS 131           HG2      LYS 131 -32.568 -28.409 -38.641
  987    HG3  LYS 131           HG1      LYS 131 -33.400 -29.953 -38.502
  988    HD2  LYS 131           HD2      LYS 131 -33.340 -28.226 -40.990
  989    HD3  LYS 131           HD1      LYS 131 -32.365 -29.672 -40.732
  990    HE2  LYS 131           HE2      LYS 131 -34.516 -30.944 -40.378
  991    HE3  LYS 131           HE1      LYS 131 -35.379 -29.503 -40.914
  992    HZ1  LYS 131           HZ1      LYS 131 -33.227 -30.760 -42.508
  993    HZ2  LYS 131           HZ2      LYS 131 -34.378 -29.618 -43.015
  994    HZ3  LYS 131           HZ3      LYS 131 -34.855 -31.211 -42.667
  995    H    VAL 132           HN       VAL 132 -36.118 -26.326 -38.814
  996    HA   VAL 132           HA       VAL 132 -37.785 -24.753 -38.462
  997    HB   VAL 132           HB       VAL 132 -39.818 -25.853 -38.265
  998   HG11  VAL 132          HG11      VAL 132 -39.516 -28.074 -39.258
  999   HG12  VAL 132          HG12      VAL 132 -37.825 -28.084 -38.763
 1000   HG13  VAL 132          HG13      VAL 132 -38.383 -26.926 -39.972
 1001   HG21  VAL 132          HG21      VAL 132 -38.442 -27.567 -36.193
 1002   HG22  VAL 132          HG22      VAL 132 -39.957 -28.070 -36.932
 1003   HG23  VAL 132          HG23      VAL 132 -39.883 -26.570 -36.032
 1004    H    LEU 133           HN       LEU 133 -37.649 -23.067 -37.183
 1005    HA   LEU 133           HA       LEU 133 -37.910 -23.470 -34.253
 1006    HB2  LEU 133           HB2      LEU 133 -36.021 -21.819 -35.852
 1007    HB3  LEU 133           HB1      LEU 133 -36.695 -21.024 -34.429
 1008    HG   LEU 133           HG       LEU 133 -34.570 -22.227 -33.935
 1009   HD11  LEU 133          HD11      LEU 133 -35.315 -22.635 -31.843
 1010   HD12  LEU 133          HD12      LEU 133 -36.419 -23.901 -32.374
 1011   HD13  LEU 133          HD13      LEU 133 -36.918 -22.211 -32.428
 1012   HD21  LEU 133          HD21      LEU 133 -35.964 -24.872 -34.180
 1013   HD22  LEU 133          HD22      LEU 133 -34.251 -24.482 -34.333
 1014   HD23  LEU 133          HD23      LEU 133 -35.352 -24.131 -35.662
 1015    H    GLU 134           HN       GLU 134 -38.742 -21.527 -33.103
 1016    HA   GLU 134           HA       GLU 134 -40.652 -19.945 -34.655
 1017    HB2  GLU 134           HB2      GLU 134 -41.353 -22.207 -32.933
 1018    HB3  GLU 134           HB1      GLU 134 -42.108 -20.725 -32.358
 1019    HG2  GLU 134           HG2      GLU 134 -43.600 -21.718 -33.919
 1020    HG3  GLU 134           HG1      GLU 134 -42.904 -20.331 -34.735
 1021    H    GLY 135           HN       GLY 135 -40.074 -17.971 -34.173
 1022    HA2  GLY 135           HA2      GLY 135 -39.126 -16.206 -32.991
 1023    HA3  GLY 135           HA1      GLY 135 -40.496 -16.560 -31.945
 1024    H    VAL 136           HN       VAL 136 -40.187 -17.720 -30.051
 1025    HA   VAL 136           HA       VAL 136 -37.372 -18.029 -29.172
 1026    HB   VAL 136           HB       VAL 136 -39.723 -17.503 -27.373
 1027   HG11  VAL 136          HG11      VAL 136 -37.690 -18.425 -26.325
 1028   HG12  VAL 136          HG12      VAL 136 -37.921 -16.745 -25.845
 1029   HG13  VAL 136          HG13      VAL 136 -36.726 -17.156 -27.073
 1030   HG21  VAL 136          HG21      VAL 136 -38.714 -15.130 -27.365
 1031   HG22  VAL 136          HG22      VAL 136 -39.717 -15.578 -28.738
 1032   HG23  VAL 136          HG23      VAL 136 -37.959 -15.582 -28.889
 1033    H    TRP 137           HN       TRP 137 -36.950 -19.739 -27.688
 1034    HA   TRP 137           HA       TRP 137 -38.994 -21.840 -27.460
 1035    HB2  TRP 137           HB2      TRP 137 -37.527 -22.099 -29.590
 1036    HB3  TRP 137           HB1      TRP 137 -36.237 -22.539 -28.470
 1037    HD1  TRP 137           HD1      TRP 137 -36.435 -24.776 -27.190
 1038    HE1  TRP 137           HE1      TRP 137 -37.961 -26.851 -27.468
 1039    HE3  TRP 137           HE3      TRP 137 -39.953 -22.824 -30.294
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.379 -27.550 -28.840
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.860 -24.200 -31.078
 1042    HH2  TRP 137           HH2      TRP 137 -42.070 -26.561 -30.354
 1043    H    ILE 138           HN       ILE 138 -38.134 -23.675 -26.060
 1044    HA   ILE 138           HA       ILE 138 -36.049 -22.873 -24.161
 1045    HB   ILE 138           HB       ILE 138 -38.918 -23.415 -23.362
 1046   HG12  ILE 138          HG12      ILE 138 -37.081 -21.076 -22.728
 1047   HG13  ILE 138          HG11      ILE 138 -38.289 -21.060 -24.004
 1048   HG21  ILE 138          HG21      ILE 138 -37.606 -24.649 -21.802
 1049   HG22  ILE 138          HG22      ILE 138 -37.960 -23.122 -20.998
 1050   HG23  ILE 138          HG23      ILE 138 -36.377 -23.387 -21.725
 1051   HD11  ILE 138          HD11      ILE 138 -39.476 -20.083 -22.260
 1052   HD12  ILE 138          HD12      ILE 138 -38.696 -21.085 -21.035
 1053   HD13  ILE 138          HD13      ILE 138 -39.943 -21.775 -22.077
 1054    H    PHE 139           HN       PHE 139 -34.772 -24.554 -23.801
 1055    HA   PHE 139           HA       PHE 139 -35.862 -27.310 -24.061
 1056    HB2  PHE 139           HB2      PHE 139 -33.350 -26.010 -24.927
 1057    HB3  PHE 139           HB1      PHE 139 -33.073 -27.531 -24.082
 1058    HD1  PHE 139           HD1      PHE 139 -36.057 -26.692 -26.178
 1059    HD2  PHE 139           HD2      PHE 139 -32.393 -28.913 -25.902
 1060    HE1  PHE 139           HE1      PHE 139 -36.692 -27.955 -28.189
 1061    HE2  PHE 139           HE2      PHE 139 -33.033 -30.194 -27.928
 1062    HZ   PHE 139           HZ       PHE 139 -35.179 -29.711 -29.075
 1063    H    TYR 140           HN       TYR 140 -35.924 -28.566 -22.373
 1064    HA   TYR 140           HA       TYR 140 -34.738 -27.544 -19.848
 1065    HB2  TYR 140           HB2      TYR 140 -37.196 -29.109 -20.564
 1066    HB3  TYR 140           HB1      TYR 140 -36.504 -29.315 -18.970
 1067    HD1  TYR 140           HD2      TYR 140 -36.044 -27.193 -17.582
 1068    HD2  TYR 140           HD1      TYR 140 -38.576 -27.251 -21.040
 1069    HE1  TYR 140           HE2      TYR 140 -37.126 -25.102 -16.823
 1070    HE2  TYR 140           HE1      TYR 140 -39.654 -25.156 -20.293
 1071    HH   TYR 140           HH       TYR 140 -39.208 -23.886 -17.145
 1072    H    GLU 141           HN       GLU 141 -32.830 -28.484 -19.500
 1073    HA   GLU 141           HA       GLU 141 -31.823 -30.790 -20.535
 1074    HB2  GLU 141           HB2      GLU 141 -30.614 -29.089 -19.114
 1075    HB3  GLU 141           HB1      GLU 141 -31.297 -29.899 -17.705
 1076    HG2  GLU 141           HG2      GLU 141 -30.242 -32.016 -18.398
 1077    HG3  GLU 141           HG1      GLU 141 -29.569 -31.215 -19.818
 1078    H    LEU 142           HN       LEU 142 -34.248 -30.477 -18.098
 1079    HA   LEU 142           HA       LEU 142 -34.188 -33.407 -17.647
 1080    HB2  LEU 142           HB2      LEU 142 -34.519 -31.133 -15.791
 1081    HB3  LEU 142           HB1      LEU 142 -35.654 -32.433 -15.523
 1082    HG   LEU 142           HG       LEU 142 -33.776 -34.028 -15.385
 1083   HD11  LEU 142          HD11      LEU 142 -32.079 -33.154 -16.747
 1084   HD12  LEU 142          HD12      LEU 142 -31.451 -32.857 -15.130
 1085   HD13  LEU 142          HD13      LEU 142 -32.198 -31.543 -16.043
 1086   HD21  LEU 142          HD21      LEU 142 -32.876 -33.230 -13.237
 1087   HD22  LEU 142          HD22      LEU 142 -34.602 -32.879 -13.346
 1088   HD23  LEU 142          HD23      LEU 142 -33.420 -31.594 -13.605
 1089    HA   PRO 143           HA       PRO 143 -38.270 -33.534 -19.230
 1090    HB2  PRO 143           HB2      PRO 143 -39.370 -35.642 -17.905
 1091    HB3  PRO 143           HB1      PRO 143 -38.067 -35.844 -19.093
 1092    HG2  PRO 143           HG2      PRO 143 -37.930 -35.844 -16.116
 1093    HG3  PRO 143           HG1      PRO 143 -37.040 -36.832 -17.285
 1094    HD2  PRO 143           HD2      PRO 143 -36.000 -34.599 -16.014
 1095    HD3  PRO 143           HD1      PRO 143 -35.391 -35.260 -17.541
 1096    H    ASN 144           HN       ASN 144 -40.588 -33.454 -18.665
 1097    HA   ASN 144           HA       ASN 144 -42.390 -32.658 -17.511
 1098    HB2  ASN 144           HB2      ASN 144 -40.743 -32.397 -15.005
 1099    HB3  ASN 144           HB1      ASN 144 -42.459 -32.762 -15.178
 1100   HD21  ASN 144          HD21      ASN 144 -41.731 -34.697 -17.448
 1101   HD22  ASN 144          HD22      ASN 144 -41.171 -36.078 -16.640
 1102    H    TYR 145           HN       TYR 145 -39.887 -30.987 -18.532
 1103    HA   TYR 145           HA       TYR 145 -39.685 -28.758 -18.976
 1104    HB2  TYR 145           HB2      TYR 145 -41.770 -27.992 -16.947
 1105    HB3  TYR 145           HB1      TYR 145 -41.381 -27.253 -18.498
 1106    HD1  TYR 145           HD2      TYR 145 -41.542 -29.176 -20.523
 1107    HD2  TYR 145           HD1      TYR 145 -43.872 -29.011 -16.916
 1108    HE1  TYR 145           HE2      TYR 145 -43.341 -30.490 -21.620
 1109    HE2  TYR 145           HE1      TYR 145 -45.654 -30.337 -18.008
 1110    HH   TYR 145           HH       TYR 145 -45.698 -32.066 -19.995
 1111    H    ARG 146           HN       ARG 146 -38.441 -30.310 -16.708
 1112    HA   ARG 146           HA       ARG 146 -37.719 -28.074 -14.906
 1113    HB2  ARG 146           HB2      ARG 146 -37.533 -31.071 -14.547
 1114    HB3  ARG 146           HB1      ARG 146 -36.862 -29.895 -13.413
 1115    HG2  ARG 146           HG2      ARG 146 -39.077 -28.921 -13.065
 1116    HG3  ARG 146           HG1      ARG 146 -39.771 -30.022 -14.257
 1117    HD2  ARG 146           HD2      ARG 146 -40.186 -30.893 -12.019
 1118    HD3  ARG 146           HD1      ARG 146 -39.048 -31.944 -12.858
 1119    HE   ARG 146           HE       ARG 146 -37.368 -31.257 -11.381
 1120   HH11  ARG 146          HH21      ARG 146 -40.237 -29.350 -11.063
 1121   HH12  ARG 146          HH22      ARG 146 -39.737 -28.590  -9.590
 1122   HH21  ARG 146          HH11      ARG 146 -36.704 -30.261  -9.445
 1123   HH22  ARG 146          HH12      ARG 146 -37.737 -29.106  -8.674
 1124    H    GLY 147           HN       GLY 147 -35.406 -28.219 -14.093
 1125    HA2  GLY 147           HA2      GLY 147 -33.108 -28.657 -14.507
 1126    HA3  GLY 147           HA1      GLY 147 -33.518 -29.233 -16.112
 1127    H    ARG 148           HN       ARG 148 -31.434 -27.602 -15.920
 1128    HA   ARG 148           HA       ARG 148 -31.865 -24.855 -16.070
 1129    HB2  ARG 148           HB2      ARG 148 -29.617 -25.752 -15.978
 1130    HB3  ARG 148           HB1      ARG 148 -29.846 -26.599 -17.511
 1131    HG2  ARG 148           HG2      ARG 148 -30.096 -24.442 -18.680
 1132    HG3  ARG 148           HG1      ARG 148 -29.918 -23.588 -17.150
 1133    HD2  ARG 148           HD2      ARG 148 -27.653 -24.644 -16.912
 1134    HD3  ARG 148           HD1      ARG 148 -27.855 -25.325 -18.522
 1135    HE   ARG 148           HE       ARG 148 -28.230 -22.459 -18.411
 1136   HH11  ARG 148          HH21      ARG 148 -26.018 -25.092 -18.733
 1137   HH12  ARG 148          HH22      ARG 148 -24.826 -24.169 -19.584
 1138   HH21  ARG 148          HH11      ARG 148 -26.681 -21.238 -19.535
 1139   HH22  ARG 148          HH12      ARG 148 -25.200 -21.984 -20.039
 1140    H    GLN 149           HN       GLN 149 -32.171 -23.458 -17.803
 1141    HA   GLN 149           HA       GLN 149 -33.548 -24.650 -20.129
 1142    HB2  GLN 149           HB2      GLN 149 -33.828 -21.953 -18.803
 1143    HB3  GLN 149           HB1      GLN 149 -34.543 -22.342 -20.368
 1144    HG2  GLN 149           HG2      GLN 149 -36.309 -22.835 -18.926
 1145    HG3  GLN 149           HG1      GLN 149 -35.546 -24.416 -19.072
 1146   HE21  GLN 149          HE21      GLN 149 -36.879 -22.467 -16.796
 1147   HE22  GLN 149          HE22      GLN 149 -35.941 -22.900 -15.446
 1148    H    TYR 150           HN       TYR 150 -33.031 -23.956 -22.192
 1149    HA   TYR 150           HA       TYR 150 -30.479 -22.442 -22.431
 1150    HB2  TYR 150           HB2      TYR 150 -31.618 -24.650 -24.153
 1151    HB3  TYR 150           HB1      TYR 150 -30.204 -23.685 -24.582
 1152    HD1  TYR 150           HD2      TYR 150 -28.269 -23.584 -22.882
 1153    HD2  TYR 150           HD1      TYR 150 -31.379 -26.542 -22.764
 1154    HE1  TYR 150           HE2      TYR 150 -26.829 -25.041 -21.486
 1155    HE2  TYR 150           HE1      TYR 150 -29.939 -28.000 -21.369
 1156    HH   TYR 150           HH       TYR 150 -27.668 -27.215 -19.637
 1157    H    LEU 151           HN       LEU 151 -30.522 -20.608 -23.555
 1158    HA   LEU 151           HA       LEU 151 -32.511 -20.183 -25.650
 1159    HB2  LEU 151           HB2      LEU 151 -33.686 -19.429 -23.642
 1160    HB3  LEU 151           HB1      LEU 151 -32.321 -18.400 -23.206
 1161    HG   LEU 151           HG       LEU 151 -33.280 -17.912 -25.972
 1162   HD11  LEU 151          HD11      LEU 151 -35.459 -18.435 -24.992
 1163   HD12  LEU 151          HD12      LEU 151 -35.323 -16.699 -25.269
 1164   HD13  LEU 151          HD13      LEU 151 -35.134 -17.347 -23.642
 1165   HD21  LEU 151          HD21      LEU 151 -31.705 -16.423 -24.780
 1166   HD22  LEU 151          HD22      LEU 151 -32.931 -16.110 -23.550
 1167   HD23  LEU 151          HD23      LEU 151 -33.186 -15.568 -25.208
 1168    H    LEU 152           HN       LEU 152 -31.277 -19.558 -27.300
 1169    HA   LEU 152           HA       LEU 152 -29.507 -17.268 -26.961
 1170    HB2  LEU 152           HB2      LEU 152 -28.080 -19.275 -26.522
 1171    HB3  LEU 152           HB1      LEU 152 -28.480 -19.866 -28.134
 1172    HG   LEU 152           HG       LEU 152 -27.532 -17.775 -29.100
 1173   HD11  LEU 152          HD11      LEU 152 -27.602 -16.079 -27.530
 1174   HD12  LEU 152          HD12      LEU 152 -25.928 -16.584 -27.327
 1175   HD13  LEU 152          HD13      LEU 152 -27.160 -17.140 -26.192
 1176   HD21  LEU 152          HD21      LEU 152 -25.197 -18.392 -28.754
 1177   HD22  LEU 152          HD22      LEU 152 -26.179 -19.856 -28.819
 1178   HD23  LEU 152          HD23      LEU 152 -25.615 -19.241 -27.266
 1179    H    ASP 153           HN       ASP 153 -29.489 -15.992 -28.729
 1180    HA   ASP 153           HA       ASP 153 -31.200 -16.749 -30.966
 1181    HB2  ASP 153           HB2      ASP 153 -30.742 -14.372 -31.690
 1182    HB3  ASP 153           HB1      ASP 153 -31.523 -14.529 -30.119
 1183    H    LYS 154           HN       LYS 154 -30.272 -18.000 -32.470
 1184    HA   LYS 154           HA       LYS 154 -27.750 -17.084 -33.688
 1185    HB2  LYS 154           HB2      LYS 154 -28.345 -19.861 -32.661
 1186    HB3  LYS 154           HB1      LYS 154 -27.122 -19.568 -33.894
 1187    HG2  LYS 154           HG2      LYS 154 -27.063 -17.968 -31.348
 1188    HG3  LYS 154           HG1      LYS 154 -26.423 -19.607 -31.356
 1189    HD2  LYS 154           HD2      LYS 154 -24.912 -19.014 -33.213
 1190    HD3  LYS 154           HD1      LYS 154 -25.547 -17.370 -33.217
 1191    HE2  LYS 154           HE2      LYS 154 -24.788 -17.075 -30.880
 1192    HE3  LYS 154           HE1      LYS 154 -24.121 -18.708 -30.901
 1193    HZ1  LYS 154           HZ1      LYS 154 -23.319 -16.962 -33.079
 1194    HZ2  LYS 154           HZ2      LYS 154 -22.408 -18.096 -32.201
 1195    HZ3  LYS 154           HZ3      LYS 154 -22.716 -16.557 -31.547
 1196    H    LYS 155           HN       LYS 155 -28.540 -20.113 -34.785
 1197    HA   LYS 155           HA       LYS 155 -30.669 -19.511 -36.579
 1198    HB2  LYS 155           HB2      LYS 155 -29.094 -19.725 -38.649
 1199    HB3  LYS 155           HB1      LYS 155 -29.226 -18.163 -37.840
 1200    HG2  LYS 155           HG2      LYS 155 -27.181 -18.609 -36.568
 1201    HG3  LYS 155           HG1      LYS 155 -27.055 -20.211 -37.294
 1202    HD2  LYS 155           HD2      LYS 155 -26.865 -19.167 -39.534
 1203    HD3  LYS 155           HD1      LYS 155 -26.943 -17.573 -38.782
 1204    HE2  LYS 155           HE2      LYS 155 -24.850 -19.652 -38.093
 1205    HE3  LYS 155           HE1      LYS 155 -24.597 -18.358 -39.265
 1206    HZ1  LYS 155           HZ1      LYS 155 -25.485 -16.926 -37.255
 1207    HZ2  LYS 155           HZ2      LYS 155 -23.842 -17.330 -37.411
 1208    HZ3  LYS 155           HZ3      LYS 155 -24.841 -18.214 -36.359
 1209    H    GLU 156           HN       GLU 156 -31.475 -21.480 -36.005
 1210    HA   GLU 156           HA       GLU 156 -31.828 -23.749 -36.153
 1211    HB2  GLU 156           HB2      GLU 156 -31.152 -23.268 -38.555
 1212    HB3  GLU 156           HB1      GLU 156 -29.535 -23.813 -38.113
 1213    HG2  GLU 156           HG2      GLU 156 -30.403 -25.982 -37.430
 1214    HG3  GLU 156           HG1      GLU 156 -32.052 -25.445 -37.756
 1215    H    TYR 157           HN       TYR 157 -30.947 -25.788 -35.430
 1216    HA   TYR 157           HA       TYR 157 -28.370 -25.503 -34.011
 1217    HB2  TYR 157           HB2      TYR 157 -30.608 -27.287 -33.108
 1218    HB3  TYR 157           HB1      TYR 157 -29.214 -26.730 -32.186
 1219    HD1  TYR 157           HD2      TYR 157 -29.069 -23.879 -32.522
 1220    HD2  TYR 157           HD1      TYR 157 -32.574 -26.351 -32.276
 1221    HE1  TYR 157           HE2      TYR 157 -30.382 -21.937 -31.747
 1222    HE2  TYR 157           HE1      TYR 157 -33.885 -24.411 -31.501
 1223    HH   TYR 157           HH       TYR 157 -32.435 -21.480 -30.502
 1224    H    ARG 158           HN       ARG 158 -26.885 -26.579 -35.098
 1225    HA   ARG 158           HA       ARG 158 -27.567 -29.231 -36.206
 1226    HB2  ARG 158           HB2      ARG 158 -25.645 -28.953 -37.660
 1227    HB3  ARG 158           HB1      ARG 158 -26.699 -27.552 -37.808
 1228    HG2  ARG 158           HG2      ARG 158 -25.258 -26.338 -36.173
 1229    HG3  ARG 158           HG1      ARG 158 -24.165 -27.723 -36.162
 1230    HD2  ARG 158           HD2      ARG 158 -23.784 -27.481 -38.562
 1231    HD3  ARG 158           HD1      ARG 158 -24.914 -26.133 -38.624
 1232    HE   ARG 158           HE       ARG 158 -23.006 -25.460 -36.718
 1233   HH11  ARG 158          HH21      ARG 158 -23.143 -26.260 -40.081
 1234   HH12  ARG 158          HH22      ARG 158 -21.789 -25.270 -40.514
 1235   HH21  ARG 158          HH11      ARG 158 -21.238 -24.157 -37.274
 1236   HH22  ARG 158          HH12      ARG 158 -20.711 -24.076 -38.923
 1237    H    LYS 159           HN       LYS 159 -25.588 -27.570 -33.876
 1238    HA   LYS 159           HA       LYS 159 -24.242 -30.136 -33.229
 1239    HB2  LYS 159           HB2      LYS 159 -22.509 -28.520 -32.124
 1240    HB3  LYS 159           HB1      LYS 159 -22.484 -28.729 -33.875
 1241    HG2  LYS 159           HG2      LYS 159 -23.807 -26.664 -34.134
 1242    HG3  LYS 159           HG1      LYS 159 -23.869 -26.504 -32.387
 1243    HD2  LYS 159           HD2      LYS 159 -21.514 -26.166 -32.228
 1244    HD3  LYS 159           HD1      LYS 159 -21.286 -26.571 -33.926
 1245    HE2  LYS 159           HE2      LYS 159 -23.013 -24.258 -33.025
 1246    HE3  LYS 159           HE1      LYS 159 -21.293 -24.076 -33.366
 1247    HZ1  LYS 159           HZ1      LYS 159 -22.601 -25.501 -35.445
 1248    HZ2  LYS 159           HZ2      LYS 159 -21.693 -24.067 -35.533
 1249    HZ3  LYS 159           HZ3      LYS 159 -23.355 -24.005 -35.188
 1250    HA   PRO 160           HA       PRO 160 -26.108 -30.051 -29.279
 1251    HB2  PRO 160           HB2      PRO 160 -23.947 -30.760 -27.641
 1252    HB3  PRO 160           HB1      PRO 160 -25.001 -31.861 -28.510
 1253    HG2  PRO 160           HG2      PRO 160 -22.313 -30.889 -29.247
 1254    HG3  PRO 160           HG1      PRO 160 -23.039 -32.480 -29.521
 1255    HD2  PRO 160           HD2      PRO 160 -22.781 -30.655 -31.496
 1256    HD3  PRO 160           HD1      PRO 160 -24.139 -31.783 -31.444
 1257    H    ILE 161           HN       ILE 161 -23.433 -28.000 -29.918
 1258    HA   ILE 161           HA       ILE 161 -23.818 -26.477 -27.429
 1259    HB   ILE 161           HB       ILE 161 -21.705 -26.456 -29.590
 1260   HG12  ILE 161          HG12      ILE 161 -20.266 -26.980 -27.586
 1261   HG13  ILE 161          HG11      ILE 161 -21.740 -27.158 -26.646
 1262   HG21  ILE 161          HG21      ILE 161 -22.248 -24.495 -27.371
 1263   HG22  ILE 161          HG22      ILE 161 -21.806 -24.180 -29.051
 1264   HG23  ILE 161          HG23      ILE 161 -20.596 -24.783 -27.921
 1265   HD11  ILE 161          HD11      ILE 161 -21.473 -28.706 -29.214
 1266   HD12  ILE 161          HD12      ILE 161 -22.368 -29.098 -27.747
 1267   HD13  ILE 161          HD13      ILE 161 -20.618 -29.269 -27.777
 1268    H    ASP 162           HN       ASP 162 -24.995 -26.594 -30.521
 1269    HA   ASP 162           HA       ASP 162 -24.898 -23.922 -31.357
 1270    HB2  ASP 162           HB2      ASP 162 -25.934 -26.180 -32.497
 1271    HB3  ASP 162           HB1      ASP 162 -27.393 -25.366 -32.016
 1272    H    TRP 163           HN       TRP 163 -26.871 -25.512 -28.966
 1273    HA   TRP 163           HA       TRP 163 -28.530 -23.078 -28.680
 1274    HB2  TRP 163           HB2      TRP 163 -29.906 -24.712 -27.203
 1275    HB3  TRP 163           HB1      TRP 163 -30.002 -24.868 -28.957
 1276    HD1  TRP 163           HD1      TRP 163 -27.488 -26.205 -26.343
 1277    HE1  TRP 163           HE1      TRP 163 -27.169 -28.726 -26.760
 1278    HE3  TRP 163           HE3      TRP 163 -30.629 -26.879 -30.326
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.093 -30.731 -28.500
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.863 -29.133 -31.349
 1281    HH2  TRP 163           HH2      TRP 163 -29.556 -31.043 -30.430
 1282    H    GLY 164           HN       GLY 164 -25.709 -23.676 -27.668
 1283    HA2  GLY 164           HA2      GLY 164 -24.535 -22.969 -25.840
 1284    HA3  GLY 164           HA1      GLY 164 -26.046 -22.360 -25.182
 1285    H    ALA 165           HN       ALA 165 -25.604 -25.784 -25.990
 1286    HA   ALA 165           HA       ALA 165 -25.657 -26.384 -23.072
 1287    HB1  ALA 165           HB1      ALA 165 -27.601 -27.254 -24.346
 1288    HB2  ALA 165           HB2      ALA 165 -26.622 -28.522 -23.615
 1289    HB3  ALA 165           HB3      ALA 165 -26.476 -28.189 -25.330
 1290    H    ALA 166           HN       ALA 166 -24.091 -27.605 -22.195
 1291    HA   ALA 166           HA       ALA 166 -21.678 -27.950 -23.716
 1292    HB1  ALA 166           HB1      ALA 166 -22.275 -28.946 -20.926
 1293    HB2  ALA 166           HB2      ALA 166 -21.758 -27.300 -21.288
 1294    HB3  ALA 166           HB3      ALA 166 -20.693 -28.657 -21.645
 1295    H    SER 167           HN       SER 167 -24.230 -29.554 -24.319
 1296    HA   SER 167           HA       SER 167 -23.047 -31.860 -25.259
 1297    HB2  SER 167           HB2      SER 167 -23.784 -31.989 -22.398
 1298    HB3  SER 167           HB1      SER 167 -24.290 -33.369 -23.368
 1299    HG   SER 167           HG       SER 167 -21.818 -32.717 -24.083
 1300    HA   PRO 168           HA       PRO 168 -27.179 -32.238 -26.927
 1301    HB2  PRO 168           HB2      PRO 168 -27.156 -34.806 -27.863
 1302    HB3  PRO 168           HB1      PRO 168 -26.241 -33.513 -28.636
 1303    HG2  PRO 168           HG2      PRO 168 -25.292 -35.627 -26.780
 1304    HG3  PRO 168           HG1      PRO 168 -24.494 -34.950 -28.205
 1305    HD2  PRO 168           HD2      PRO 168 -23.847 -34.227 -25.622
 1306    HD3  PRO 168           HD1      PRO 168 -23.613 -33.172 -27.032
 1307    H    ALA 169           HN       ALA 169 -26.288 -33.621 -24.083
 1308    HA   ALA 169           HA       ALA 169 -28.404 -35.537 -23.745
 1309    HB1  ALA 169           HB1      ALA 169 -26.666 -34.267 -21.619
 1310    HB2  ALA 169           HB2      ALA 169 -26.143 -35.636 -22.599
 1311    HB3  ALA 169           HB3      ALA 169 -27.530 -35.802 -21.526
 1312    H    VAL 170           HN       VAL 170 -30.063 -33.841 -24.441
 1313    HA   VAL 170           HA       VAL 170 -30.806 -32.031 -22.235
 1314    HB   VAL 170           HB       VAL 170 -32.131 -32.200 -24.945
 1315   HG11  VAL 170          HG11      VAL 170 -32.696 -30.695 -22.654
 1316   HG12  VAL 170          HG12      VAL 170 -33.224 -30.300 -24.283
 1317   HG13  VAL 170          HG13      VAL 170 -31.756 -29.572 -23.632
 1318   HG21  VAL 170          HG21      VAL 170 -29.736 -31.962 -25.366
 1319   HG22  VAL 170          HG22      VAL 170 -29.629 -30.658 -24.185
 1320   HG23  VAL 170          HG23      VAL 170 -30.537 -30.423 -25.679
 1321    H    GLN 171           HN       GLN 171 -33.595 -32.056 -23.300
 1322    HA   GLN 171           HA       GLN 171 -34.550 -34.718 -22.858
 1323    HB2  GLN 171           HB2      GLN 171 -34.031 -33.490 -20.549
 1324    HB3  GLN 171           HB1      GLN 171 -35.627 -32.804 -20.821
 1325    HG2  GLN 171           HG2      GLN 171 -36.091 -34.775 -19.656
 1326    HG3  GLN 171           HG1      GLN 171 -36.350 -35.259 -21.322
 1327   HE21  GLN 171          HE21      GLN 171 -34.498 -36.437 -22.386
 1328   HE22  GLN 171          HE22      GLN 171 -33.441 -37.355 -21.421
 1329    H    SER 172           HN       SER 172 -37.057 -33.071 -21.743
 1330    HA   SER 172           HA       SER 172 -38.195 -32.826 -24.424
 1331    HB2  SER 172           HB2      SER 172 -39.733 -32.477 -21.893
 1332    HB3  SER 172           HB1      SER 172 -40.229 -33.161 -23.438
 1333    HG   SER 172           HG       SER 172 -39.862 -34.937 -22.328
 1334    H    PHE 173           HN       PHE 173 -40.330 -31.066 -23.556
 1335    HA   PHE 173           HA       PHE 173 -39.202 -28.577 -22.815
 1336    HB2  PHE 173           HB2      PHE 173 -39.351 -27.449 -25.022
 1337    HB3  PHE 173           HB1      PHE 173 -38.103 -28.699 -24.969
 1338    HD1  PHE 173           HD1      PHE 173 -41.522 -27.908 -26.153
 1339    HD2  PHE 173           HD2      PHE 173 -38.276 -30.714 -26.237
 1340    HE1  PHE 173           HE1      PHE 173 -42.615 -29.117 -28.024
 1341    HE2  PHE 173           HE2      PHE 173 -39.362 -31.920 -28.104
 1342    HZ   PHE 173           HZ       PHE 173 -41.533 -31.123 -29.002
 1343    H    ARG 174           HN       ARG 174 -40.758 -26.744 -23.801
 1344    HA   ARG 174           HA       ARG 174 -43.486 -27.608 -24.065
 1345    HB2  ARG 174           HB2      ARG 174 -44.210 -26.256 -22.024
 1346    HB3  ARG 174           HB1      ARG 174 -43.488 -27.837 -21.728
 1347    HG2  ARG 174           HG2      ARG 174 -41.457 -26.930 -20.979
 1348    HG3  ARG 174           HG1      ARG 174 -41.720 -25.393 -21.802
 1349    HD2  ARG 174           HD2      ARG 174 -43.331 -26.371 -19.430
 1350    HD3  ARG 174           HD1      ARG 174 -42.002 -25.215 -19.339
 1351    HE   ARG 174           HE       ARG 174 -43.728 -24.153 -21.198
 1352   HH11  ARG 174          HH21      ARG 174 -43.891 -25.233 -17.914
 1353   HH12  ARG 174          HH22      ARG 174 -45.128 -24.107 -17.458
 1354   HH21  ARG 174          HH11      ARG 174 -45.342 -22.673 -20.610
 1355   HH22  ARG 174          HH12      ARG 174 -45.949 -22.657 -18.988
 1356    H    ARG 175           HN       ARG 175 -44.592 -26.161 -25.212
 1357    HA   ARG 175           HA       ARG 175 -43.415 -23.942 -26.384
 1358    HB2  ARG 175           HB2      ARG 175 -45.607 -23.361 -27.163
 1359    HB3  ARG 175           HB1      ARG 175 -45.539 -25.119 -27.115
 1360    HG2  ARG 175           HG2      ARG 175 -46.496 -24.767 -24.660
 1361    HG3  ARG 175           HG1      ARG 175 -47.049 -23.234 -25.337
 1362    HD2  ARG 175           HD2      ARG 175 -47.730 -26.029 -26.255
 1363    HD3  ARG 175           HD1      ARG 175 -48.830 -24.776 -25.689
 1364    HE   ARG 175           HE       ARG 175 -47.414 -23.917 -28.011
 1365   HH11  ARG 175          HH21      ARG 175 -49.962 -25.978 -26.894
 1366   HH12  ARG 175          HH22      ARG 175 -50.844 -25.924 -28.384
 1367   HH21  ARG 175          HH11      ARG 175 -48.564 -23.844 -29.967
 1368   HH22  ARG 175          HH12      ARG 175 -50.054 -24.716 -30.123
 1369    H    ILE 176           HN       ILE 176 -42.998 -21.968 -25.771
 1370    HA   ILE 176           HA       ILE 176 -43.262 -21.090 -23.105
 1371    HB   ILE 176           HB       ILE 176 -42.954 -19.293 -25.525
 1372   HG12  ILE 176          HG12      ILE 176 -40.896 -20.913 -24.000
 1373   HG13  ILE 176          HG11      ILE 176 -41.324 -21.088 -25.702
 1374   HG21  ILE 176          HG21      ILE 176 -41.911 -17.784 -24.003
 1375   HG22  ILE 176          HG22      ILE 176 -41.796 -19.011 -22.743
 1376   HG23  ILE 176          HG23      ILE 176 -43.367 -18.338 -23.175
 1377   HD11  ILE 176          HD11      ILE 176 -39.620 -19.662 -26.108
 1378   HD12  ILE 176          HD12      ILE 176 -39.529 -19.150 -24.424
 1379   HD13  ILE 176          HD13      ILE 176 -40.686 -18.390 -25.512
 1380    H    VAL 177           HN       VAL 177 -44.818 -19.982 -22.045
 1381    HA   VAL 177           HA       VAL 177 -47.148 -18.983 -23.571
 1382    HB   VAL 177           HB       VAL 177 -47.185 -20.798 -21.152
 1383   HG11  VAL 177          HG11      VAL 177 -49.731 -20.472 -21.423
 1384   HG12  VAL 177          HG12      VAL 177 -49.324 -19.029 -22.351
 1385   HG13  VAL 177          HG13      VAL 177 -48.833 -19.159 -20.663
 1386   HG21  VAL 177          HG21      VAL 177 -48.344 -22.316 -22.566
 1387   HG22  VAL 177          HG22      VAL 177 -47.032 -21.699 -23.567
 1388   HG23  VAL 177          HG23      VAL 177 -48.667 -21.074 -23.775
 1389    H    GLU 178           HN       GLU 178 -47.991 -17.105 -22.845
 1390    HA   GLU 178           HA       GLU 178 -47.578 -16.118 -20.193
 1391    HB2  GLU 178           HB2      GLU 178 -45.330 -15.759 -21.417
 1392    HB3  GLU 178           HB1      GLU 178 -46.181 -14.508 -22.322
 1393    HG2  GLU 178           HG2      GLU 178 -45.179 -13.399 -20.458
 1394    HG3  GLU 178           HG1      GLU 178 -46.891 -13.560 -20.068
  Start of MODEL   21
    1    H1   GLY   1           HT1      GLY   1 -40.815  -1.584 -20.265
    2    H2   GLY   1           HT2      GLY   1 -41.163  -0.225 -21.226
    3    H3   GLY   1           HT3      GLY   1 -42.389  -1.339 -20.844
    4    HA2  GLY   1           HA2      GLY   1 -42.837  -0.376 -18.906
    5    HA3  GLY   1           HA1      GLY   1 -41.122  -0.275 -18.508
    6    H    SER   2           HN       SER   2 -39.938   1.563 -19.093
    7    HA   SER   2           HA       SER   2 -41.300   4.012 -19.067
    8    HB2  SER   2           HB2      SER   2 -38.502   3.466 -20.081
    9    HB3  SER   2           HB1      SER   2 -39.141   5.033 -19.594
   10    HG   SER   2           HG       SER   2 -38.881   2.718 -17.963
   11    H    LYS   3           HN       LYS   3 -39.888   2.189 -21.772
   12    HA   LYS   3           HA       LYS   3 -41.651   3.636 -23.629
   13    HB2  LYS   3           HB2      LYS   3 -38.643   3.446 -23.937
   14    HB3  LYS   3           HB1      LYS   3 -39.748   3.949 -25.219
   15    HG2  LYS   3           HG2      LYS   3 -40.564   5.788 -23.770
   16    HG3  LYS   3           HG1      LYS   3 -39.407   5.310 -22.529
   17    HD2  LYS   3           HD2      LYS   3 -37.547   5.729 -24.077
   18    HD3  LYS   3           HD1      LYS   3 -38.689   6.177 -25.344
   19    HE2  LYS   3           HE2      LYS   3 -37.813   8.195 -24.258
   20    HE3  LYS   3           HE1      LYS   3 -39.531   8.017 -23.908
   21    HZ1  LYS   3           HZ1      LYS   3 -37.808   6.685 -22.025
   22    HZ2  LYS   3           HZ2      LYS   3 -39.137   7.705 -21.748
   23    HZ3  LYS   3           HZ3      LYS   3 -37.604   8.368 -22.057
   24    H    THR   4           HN       THR   4 -39.289   1.032 -23.131
   25    HA   THR   4           HA       THR   4 -39.807  -0.417 -25.482
   26    HB   THR   4           HB       THR   4 -38.755  -2.289 -24.367
   27    HG1  THR   4           HG1      THR   4 -38.308  -1.411 -21.957
   28   HG21  THR   4          HG21      THR   4 -36.682  -1.284 -23.809
   29   HG22  THR   4          HG22      THR   4 -37.460   0.179 -23.206
   30   HG23  THR   4          HG23      THR   4 -37.431  -0.154 -24.938
   31    H    GLY   5           HN       GLY   5 -40.824  -1.578 -22.264
   32    HA2  GLY   5           HA2      GLY   5 -43.495  -1.640 -22.321
   33    HA3  GLY   5           HA1      GLY   5 -43.112  -2.927 -23.461
   34    H    THR   6           HN       THR   6 -40.964  -4.171 -22.377
   35    HA   THR   6           HA       THR   6 -42.138  -5.563 -20.127
   36    HB   THR   6           HB       THR   6 -40.239  -7.069 -20.368
   37    HG1  THR   6           HG1      THR   6 -39.259  -5.509 -22.474
   38   HG21  THR   6          HG21      THR   6 -41.474  -6.146 -22.973
   39   HG22  THR   6          HG22      THR   6 -42.029  -7.455 -21.928
   40   HG23  THR   6          HG23      THR   6 -40.516  -7.620 -22.821
   41    H    LYS   7           HN       LYS   7 -40.822  -6.048 -18.213
   42    HA   LYS   7           HA       LYS   7 -38.676  -4.280 -17.475
   43    HB2  LYS   7           HB2      LYS   7 -40.251  -2.612 -17.027
   44    HB3  LYS   7           HB1      LYS   7 -41.454  -3.767 -16.460
   45    HG2  LYS   7           HG2      LYS   7 -40.344  -4.088 -14.389
   46    HG3  LYS   7           HG1      LYS   7 -38.856  -3.344 -14.981
   47    HD2  LYS   7           HD2      LYS   7 -39.788  -1.173 -14.938
   48    HD3  LYS   7           HD1      LYS   7 -41.431  -1.790 -14.791
   49    HE2  LYS   7           HE2      LYS   7 -41.087  -2.478 -12.547
   50    HE3  LYS   7           HE1      LYS   7 -39.338  -2.345 -12.681
   51    HZ1  LYS   7           HZ1      LYS   7 -40.181  -0.468 -11.487
   52    HZ2  LYS   7           HZ2      LYS   7 -41.299  -0.115 -12.716
   53    HZ3  LYS   7           HZ3      LYS   7 -39.633   0.066 -13.001
   54    H    ILE   8           HN       ILE   8 -37.727  -4.766 -15.435
   55    HA   ILE   8           HA       ILE   8 -38.776  -7.064 -13.969
   56    HB   ILE   8           HB       ILE   8 -37.411  -8.071 -15.764
   57   HG12  ILE   8          HG12      ILE   8 -35.961  -8.349 -13.130
   58   HG13  ILE   8          HG11      ILE   8 -37.602  -8.962 -13.342
   59   HG21  ILE   8          HG21      ILE   8 -35.720  -6.519 -16.287
   60   HG22  ILE   8          HG22      ILE   8 -34.866  -7.774 -15.399
   61   HG23  ILE   8          HG23      ILE   8 -35.284  -6.267 -14.596
   62   HD11  ILE   8          HD11      ILE   8 -35.482  -9.689 -15.356
   63   HD12  ILE   8          HD12      ILE   8 -36.944 -10.565 -14.903
   64   HD13  ILE   8          HD13      ILE   8 -35.557 -10.546 -13.815
   65    H    THR   9           HN       THR   9 -38.025  -7.279 -11.850
   66    HA   THR   9           HA       THR   9 -36.159  -5.197 -10.946
   67    HB   THR   9           HB       THR   9 -38.673  -5.945  -9.454
   68    HG1  THR   9           HG1      THR   9 -38.512  -3.441 -10.513
   69   HG21  THR   9          HG21      THR   9 -36.949  -3.483  -9.186
   70   HG22  THR   9          HG22      THR   9 -36.575  -4.961  -8.299
   71   HG23  THR   9          HG23      THR   9 -38.110  -4.134  -8.030
   72    H    PHE  10           HN       PHE  10 -34.794  -5.776  -9.332
   73    HA   PHE  10           HA       PHE  10 -34.970  -8.564  -8.332
   74    HB2  PHE  10           HB2      PHE  10 -32.436  -7.010  -8.885
   75    HB3  PHE  10           HB1      PHE  10 -32.577  -8.713  -8.454
   76    HD1  PHE  10           HD2      PHE  10 -33.468 -10.354 -10.062
   77    HD2  PHE  10           HD1      PHE  10 -32.909  -6.238 -11.136
   78    HE1  PHE  10           HE2      PHE  10 -33.683 -10.953 -12.457
   79    HE2  PHE  10           HE1      PHE  10 -33.123  -6.833 -13.534
   80    HZ   PHE  10           HZ       PHE  10 -33.506  -9.195 -14.191
   81    H    TYR  11           HN       TYR  11 -35.395  -8.541  -6.225
   82    HA   TYR  11           HA       TYR  11 -34.645  -6.213  -4.598
   83    HB2  TYR  11           HB2      TYR  11 -36.563  -8.511  -4.182
   84    HB3  TYR  11           HB1      TYR  11 -36.195  -7.309  -2.945
   85    HD1  TYR  11           HD1      TYR  11 -37.676  -7.828  -6.300
   86    HD2  TYR  11           HD2      TYR  11 -37.015  -5.061  -3.081
   87    HE1  TYR  11           HE1      TYR  11 -39.351  -6.286  -7.275
   88    HE2  TYR  11           HE2      TYR  11 -38.692  -3.516  -4.062
   89    HH   TYR  11           HH       TYR  11 -40.936  -4.320  -6.126
   90    H    GLU  12           HN       GLU  12 -33.350  -6.325  -2.880
   91    HA   GLU  12           HA       GLU  12 -31.402  -8.366  -2.778
   92    HB2  GLU  12           HB2      GLU  12 -31.485  -5.866  -1.865
   93    HB3  GLU  12           HB1      GLU  12 -31.940  -6.662  -0.360
   94    HG2  GLU  12           HG2      GLU  12 -29.500  -7.446  -2.003
   95    HG3  GLU  12           HG1      GLU  12 -29.445  -6.265  -0.703
   96    H    ASP  13           HN       ASP  13 -34.106  -7.590  -0.559
   97    HA   ASP  13           HA       ASP  13 -33.767 -10.179   0.743
   98    HB2  ASP  13           HB2      ASP  13 -35.491  -7.779   1.343
   99    HB3  ASP  13           HB1      ASP  13 -35.635  -9.308   2.207
  100    H    LYS  14           HN       LYS  14 -36.120 -10.979   1.404
  101    HA   LYS  14           HA       LYS  14 -37.283 -11.859  -1.092
  102    HB2  LYS  14           HB2      LYS  14 -37.765 -12.588   1.784
  103    HB3  LYS  14           HB1      LYS  14 -38.740 -13.220   0.462
  104    HG2  LYS  14           HG2      LYS  14 -36.883 -14.270  -0.569
  105    HG3  LYS  14           HG1      LYS  14 -35.730 -13.435   0.474
  106    HD2  LYS  14           HD2      LYS  14 -37.841 -15.215   1.697
  107    HD3  LYS  14           HD1      LYS  14 -36.386 -15.932   1.008
  108    HE2  LYS  14           HE2      LYS  14 -35.022 -14.403   2.461
  109    HE3  LYS  14           HE1      LYS  14 -36.517 -13.868   3.226
  110    HZ1  LYS  14           HZ1      LYS  14 -35.048 -15.980   4.022
  111    HZ2  LYS  14           HZ2      LYS  14 -36.239 -16.728   3.066
  112    HZ3  LYS  14           HZ3      LYS  14 -36.692 -15.752   4.381
  113    H    ASN  15           HN       ASN  15 -39.794 -12.190  -0.803
  114    HA   ASN  15           HA       ASN  15 -41.772 -11.139  -1.196
  115    HB2  ASN  15           HB2      ASN  15 -41.122  -9.739   1.404
  116    HB3  ASN  15           HB1      ASN  15 -42.715 -10.004   0.704
  117   HD21  ASN  15          HD21      ASN  15 -39.990 -12.276   1.021
  118   HD22  ASN  15          HD22      ASN  15 -40.845 -13.427   1.932
  119    H    PHE  16           HN       PHE  16 -39.295  -9.760  -2.146
  120    HA   PHE  16           HA       PHE  16 -38.740  -7.877  -3.229
  121    HB2  PHE  16           HB2      PHE  16 -41.432  -6.625  -3.088
  122    HB3  PHE  16           HB1      PHE  16 -40.394  -6.911  -4.485
  123    HD1  PHE  16           HD2      PHE  16 -40.078  -9.371  -5.216
  124    HD2  PHE  16           HD1      PHE  16 -43.285  -8.023  -2.709
  125    HE1  PHE  16           HE2      PHE  16 -41.386 -11.385  -5.817
  126    HE2  PHE  16           HE1      PHE  16 -44.600 -10.043  -3.306
  127    HZ   PHE  16           HZ       PHE  16 -43.647 -11.725  -4.858
  128    H    GLN  17           HN       GLN  17 -38.198  -7.849  -0.549
  129    HA   GLN  17           HA       GLN  17 -38.857  -5.101   0.315
  130    HB2  GLN  17           HB2      GLN  17 -38.069  -7.553   1.900
  131    HB3  GLN  17           HB1      GLN  17 -38.195  -5.933   2.589
  132    HG2  GLN  17           HG2      GLN  17 -40.540  -5.797   1.966
  133    HG3  GLN  17           HG1      GLN  17 -40.440  -7.347   1.125
  134   HE21  GLN  17          HE21      GLN  17 -39.563  -9.202   2.656
  135   HE22  GLN  17          HE22      GLN  17 -40.212  -9.217   4.227
  136    H    GLY  18           HN       GLY  18 -37.161  -4.038   1.588
  137    HA2  GLY  18           HA2      GLY  18 -34.997  -3.330   1.933
  138    HA3  GLY  18           HA1      GLY  18 -34.439  -4.847   1.261
  139    H    ARG  19           HN       ARG  19 -32.905  -4.063   0.053
  140    HA   ARG  19           HA       ARG  19 -33.017  -1.808  -1.679
  141    HB2  ARG  19           HB2      ARG  19 -31.035  -3.693  -1.003
  142    HB3  ARG  19           HB1      ARG  19 -31.237  -3.876  -2.740
  143    HG2  ARG  19           HG2      ARG  19 -30.912  -1.474  -3.062
  144    HG3  ARG  19           HG1      ARG  19 -30.718  -1.255  -1.321
  145    HD2  ARG  19           HD2      ARG  19 -28.762  -2.741  -1.343
  146    HD3  ARG  19           HD1      ARG  19 -28.973  -3.011  -3.072
  147    HE   ARG  19           HE       ARG  19 -28.115  -0.875  -3.481
  148   HH11  ARG  19          HH21      ARG  19 -28.731  -1.417  -0.118
  149   HH12  ARG  19          HH22      ARG  19 -27.880  -0.002   0.405
  150   HH21  ARG  19          HH11      ARG  19 -27.018   0.982  -2.810
  151   HH22  ARG  19          HH12      ARG  19 -26.908   1.359  -1.122
  152    H    ARG  20           HN       ARG  20 -32.867  -1.977  -4.174
  153    HA   ARG  20           HA       ARG  20 -34.019  -4.208  -5.432
  154    HB2  ARG  20           HB2      ARG  20 -36.194  -3.367  -5.991
  155    HB3  ARG  20           HB1      ARG  20 -36.019  -3.238  -4.241
  156    HG2  ARG  20           HG2      ARG  20 -36.657  -1.057  -4.516
  157    HG3  ARG  20           HG1      ARG  20 -35.000  -0.798  -5.069
  158    HD2  ARG  20           HD2      ARG  20 -35.832  -1.389  -7.417
  159    HD3  ARG  20           HD1      ARG  20 -37.464  -1.297  -6.758
  160    HE   ARG  20           HE       ARG  20 -37.234   1.024  -6.565
  161   HH11  ARG  20          HH21      ARG  20 -34.247  -0.506  -7.414
  162   HH12  ARG  20          HH22      ARG  20 -33.450   0.975  -7.830
  163   HH21  ARG  20          HH11      ARG  20 -36.194   2.963  -7.095
  164   HH22  ARG  20          HH12      ARG  20 -34.554   2.942  -7.650
  165    H    TYR  21           HN       TYR  21 -34.167  -3.877  -7.775
  166    HA   TYR  21           HA       TYR  21 -32.997  -1.338  -8.734
  167    HB2  TYR  21           HB2      TYR  21 -31.205  -3.123  -8.567
  168    HB3  TYR  21           HB1      TYR  21 -32.121  -4.047  -9.756
  169    HD1  TYR  21           HD1      TYR  21 -30.655  -0.658  -9.184
  170    HD2  TYR  21           HD2      TYR  21 -31.816  -3.628 -12.055
  171    HE1  TYR  21           HE1      TYR  21 -29.632   0.693 -10.991
  172    HE2  TYR  21           HE2      TYR  21 -30.803  -2.276 -13.868
  173    HH   TYR  21           HH       TYR  21 -30.111  -0.068 -14.347
  174    H    ASP  22           HN       ASP  22 -33.941  -0.590 -10.568
  175    HA   ASP  22           HA       ASP  22 -36.064  -2.266 -11.779
  176    HB2  ASP  22           HB2      ASP  22 -36.967  -0.124 -12.624
  177    HB3  ASP  22           HB1      ASP  22 -36.851  -0.146 -10.866
  178    H    CYS  23           HN       CYS  23 -36.245  -2.419 -14.061
  179    HA   CYS  23           HA       CYS  23 -34.337  -1.177 -15.787
  180    HB2  CYS  23           HB2      CYS  23 -33.814  -3.917 -16.372
  181    HB3  CYS  23           HB1      CYS  23 -32.685  -2.727 -15.729
  182    HG   CYS  23           HG       CYS  23 -33.905  -4.999 -14.154
  183    H    ASP  24           HN       ASP  24 -35.317  -0.843 -17.650
  184    HA   ASP  24           HA       ASP  24 -37.411  -2.732 -18.542
  185    HB2  ASP  24           HB2      ASP  24 -38.768  -0.946 -19.282
  186    HB3  ASP  24           HB1      ASP  24 -38.231  -0.471 -17.673
  187    H    CYS  25           HN       CYS  25 -34.406  -2.133 -19.145
  188    HA   CYS  25           HA       CYS  25 -34.691  -2.563 -22.030
  189    HB2  CYS  25           HB2      CYS  25 -34.512  -0.150 -21.948
  190    HB3  CYS  25           HB1      CYS  25 -33.128  -0.246 -20.858
  191    HG   CYS  25           HG       CYS  25 -31.630  -0.768 -22.781
  192    H    ASP  26           HN       ASP  26 -32.924  -3.608 -22.958
  193    HA   ASP  26           HA       ASP  26 -31.556  -5.508 -21.609
  194    HB2  ASP  26           HB2      ASP  26 -29.862  -5.454 -23.406
  195    HB3  ASP  26           HB1      ASP  26 -31.498  -5.317 -24.045
  196    H    CYS  27           HN       CYS  27 -29.370  -5.727 -20.834
  197    HA   CYS  27           HA       CYS  27 -27.817  -3.364 -20.247
  198    HB2  CYS  27           HB2      CYS  27 -29.474  -3.226 -18.453
  199    HB3  CYS  27           HB1      CYS  27 -29.126  -4.888 -17.981
  200    HG   CYS  27           HG       CYS  27 -27.688  -2.737 -16.776
  201    H    ALA  28           HN       ALA  28 -25.802  -3.941 -19.045
  202    HA   ALA  28           HA       ALA  28 -24.829  -6.545 -19.994
  203    HB1  ALA  28           HB1      ALA  28 -22.627  -5.659 -19.630
  204    HB2  ALA  28           HB2      ALA  28 -23.267  -4.301 -18.706
  205    HB3  ALA  28           HB3      ALA  28 -23.574  -4.409 -20.438
  206    H    ASP  29           HN       ASP  29 -24.615  -4.608 -17.007
  207    HA   ASP  29           HA       ASP  29 -25.048  -6.960 -15.360
  208    HB2  ASP  29           HB2      ASP  29 -22.649  -7.115 -15.803
  209    HB3  ASP  29           HB1      ASP  29 -22.427  -5.454 -15.261
  210    H    PHE  30           HN       PHE  30 -26.586  -6.163 -14.095
  211    HA   PHE  30           HA       PHE  30 -26.444  -3.410 -13.102
  212    HB2  PHE  30           HB2      PHE  30 -28.722  -3.535 -12.723
  213    HB3  PHE  30           HB1      PHE  30 -28.573  -4.730 -14.011
  214    HD1  PHE  30           HD2      PHE  30 -28.225  -7.182 -13.309
  215    HD2  PHE  30           HD1      PHE  30 -29.566  -4.148 -10.615
  216    HE1  PHE  30           HE2      PHE  30 -29.118  -8.938 -11.795
  217    HE2  PHE  30           HE1      PHE  30 -30.450  -5.876  -9.095
  218    HZ   PHE  30           HZ       PHE  30 -30.243  -8.279  -9.680
  219    H    HIS  31           HN       HIS  31 -25.001  -6.101 -12.225
  220    HA   HIS  31           HA       HIS  31 -25.662  -6.591  -9.542
  221    HB2  HIS  31           HB2      HIS  31 -24.184  -8.058 -10.864
  222    HB3  HIS  31           HB1      HIS  31 -22.940  -6.802 -10.846
  223    HD2  HIS  31           HD2      HIS  31 -21.536  -6.569  -8.404
  224    HE1  HIS  31           HE1      HIS  31 -23.633  -9.601  -6.346
  225    HE2  HIS  31           HE2      HIS  31 -21.645  -8.025  -6.238
  226    H    THR  32           HN       THR  32 -23.778  -4.099 -11.055
  227    HA   THR  32           HA       THR  32 -22.408  -3.149  -8.769
  228    HB   THR  32           HB       THR  32 -22.135  -1.047 -10.066
  229    HG1  THR  32           HG1      THR  32 -23.243  -0.735 -11.874
  230   HG21  THR  32          HG21      THR  32 -21.039  -2.143 -12.068
  231   HG22  THR  32          HG22      THR  32 -21.715  -3.673 -11.508
  232   HG23  THR  32          HG23      THR  32 -20.557  -2.800 -10.505
  233    H    TYR  33           HN       TYR  33 -25.657  -3.334  -9.239
  234    HA   TYR  33           HA       TYR  33 -26.201  -0.946  -7.566
  235    HB2  TYR  33           HB2      TYR  33 -27.978  -2.312  -9.586
  236    HB3  TYR  33           HB1      TYR  33 -28.461  -0.980  -8.536
  237    HD1  TYR  33           HD2      TYR  33 -26.786   1.100  -8.551
  238    HD2  TYR  33           HD1      TYR  33 -27.199  -1.752 -11.723
  239    HE1  TYR  33           HE2      TYR  33 -25.813   2.734 -10.142
  240    HE2  TYR  33           HE1      TYR  33 -26.223  -0.130 -13.319
  241    HH   TYR  33           HH       TYR  33 -24.916   2.962 -12.218
  242    H    LEU  34           HN       LEU  34 -26.280  -4.337  -7.816
  243    HA   LEU  34           HA       LEU  34 -27.696  -4.500  -5.250
  244    HB2  LEU  34           HB2      LEU  34 -29.274  -4.935  -7.250
  245    HB3  LEU  34           HB1      LEU  34 -28.361  -6.423  -7.479
  246    HG   LEU  34           HG       LEU  34 -28.875  -7.043  -5.115
  247   HD11  LEU  34          HD11      LEU  34 -31.043  -5.607  -4.316
  248   HD12  LEU  34          HD12      LEU  34 -30.132  -4.346  -5.152
  249   HD13  LEU  34          HD13      LEU  34 -29.396  -5.232  -3.819
  250   HD21  LEU  34          HD21      LEU  34 -30.299  -8.028  -6.764
  251   HD22  LEU  34          HD22      LEU  34 -31.169  -6.513  -7.001
  252   HD23  LEU  34          HD23      LEU  34 -31.378  -7.417  -5.505
  253    H    SER  35           HN       SER  35 -26.924  -6.039  -3.896
  254    HA   SER  35           HA       SER  35 -24.498  -7.469  -4.791
  255    HB2  SER  35           HB2      SER  35 -25.497  -6.532  -2.104
  256    HB3  SER  35           HB1      SER  35 -24.208  -7.725  -2.237
  257    HG   SER  35           HG       SER  35 -24.055  -5.402  -3.786
  258    H    ARG  36           HN       ARG  36 -27.752  -8.009  -4.198
  259    HA   ARG  36           HA       ARG  36 -27.361 -10.889  -4.231
  260    HB2  ARG  36           HB2      ARG  36 -27.420 -10.091  -1.767
  261    HB3  ARG  36           HB1      ARG  36 -29.128  -9.776  -2.061
  262    HG2  ARG  36           HG2      ARG  36 -29.349 -12.160  -2.860
  263    HG3  ARG  36           HG1      ARG  36 -27.695 -12.433  -2.306
  264    HD2  ARG  36           HD2      ARG  36 -30.057 -11.574  -0.615
  265    HD3  ARG  36           HD1      ARG  36 -29.214 -13.118  -0.542
  266    HE   ARG  36           HE       ARG  36 -27.431 -10.925  -0.084
  267   HH11  ARG  36          HH21      ARG  36 -29.913 -12.880   1.323
  268   HH12  ARG  36          HH22      ARG  36 -29.364 -12.655   2.948
  269   HH21  ARG  36          HH11      ARG  36 -26.700 -10.623   2.050
  270   HH22  ARG  36          HH12      ARG  36 -27.545 -11.377   3.361
  271    H    CYS  37           HN       CYS  37 -29.027 -11.976  -5.142
  272    HA   CYS  37           HA       CYS  37 -31.322 -10.339  -6.080
  273    HB2  CYS  37           HB2      CYS  37 -30.427 -12.875  -7.406
  274    HB3  CYS  37           HB1      CYS  37 -31.285 -11.499  -8.093
  275    HG   CYS  37           HG       CYS  37 -29.062 -10.653  -8.776
  276    H    ASN  38           HN       ASN  38 -32.901 -10.707  -4.693
  277    HA   ASN  38           HA       ASN  38 -33.647 -13.501  -4.037
  278    HB2  ASN  38           HB2      ASN  38 -33.958 -10.921  -2.498
  279    HB3  ASN  38           HB1      ASN  38 -34.832 -12.386  -2.077
  280   HD21  ASN  38          HD21      ASN  38 -33.336 -11.858  -0.026
  281   HD22  ASN  38          HD22      ASN  38 -31.840 -12.668  -0.025
  282    H    SER  39           HN       SER  39 -36.212 -12.570  -3.048
  283    HA   SER  39           HA       SER  39 -38.001 -13.114  -4.832
  284    HB2  SER  39           HB2      SER  39 -39.438 -11.250  -3.926
  285    HB3  SER  39           HB1      SER  39 -38.700 -12.304  -2.730
  286    HG   SER  39           HG       SER  39 -38.034 -10.426  -1.979
  287    H    ILE  40           HN       ILE  40 -38.900 -12.484  -6.623
  288    HA   ILE  40           HA       ILE  40 -38.159  -9.911  -7.888
  289    HB   ILE  40           HB       ILE  40 -37.661 -12.683  -8.956
  290   HG12  ILE  40          HG12      ILE  40 -35.814 -10.376  -9.453
  291   HG13  ILE  40          HG11      ILE  40 -35.965 -10.897  -7.776
  292   HG21  ILE  40          HG21      ILE  40 -37.135 -11.413 -11.172
  293   HG22  ILE  40          HG22      ILE  40 -38.217 -10.177 -10.527
  294   HG23  ILE  40          HG23      ILE  40 -38.814 -11.811 -10.804
  295   HD11  ILE  40          HD11      ILE  40 -34.138 -12.125  -8.734
  296   HD12  ILE  40          HD12      ILE  40 -35.092 -12.566 -10.150
  297   HD13  ILE  40          HD13      ILE  40 -35.474 -13.258  -8.573
  298    H    LYS  41           HN       LYS  41 -39.632  -9.101  -9.287
  299    HA   LYS  41           HA       LYS  41 -41.940 -10.684 -10.136
  300    HB2  LYS  41           HB2      LYS  41 -43.477  -8.825  -9.221
  301    HB3  LYS  41           HB1      LYS  41 -42.893 -10.057  -8.107
  302    HG2  LYS  41           HG2      LYS  41 -41.385  -8.630  -7.094
  303    HG3  LYS  41           HG1      LYS  41 -41.297  -7.548  -8.467
  304    HD2  LYS  41           HD2      LYS  41 -42.589  -6.687  -6.423
  305    HD3  LYS  41           HD1      LYS  41 -43.403  -6.570  -7.980
  306    HE2  LYS  41           HE2      LYS  41 -44.894  -8.284  -7.486
  307    HE3  LYS  41           HE1      LYS  41 -43.820  -9.030  -6.303
  308    HZ1  LYS  41           HZ1      LYS  41 -44.487  -7.633  -4.679
  309    HZ2  LYS  41           HZ2      LYS  41 -45.898  -7.546  -5.622
  310    HZ3  LYS  41           HZ3      LYS  41 -44.725  -6.321  -5.727
  311    H    VAL  42           HN       VAL  42 -41.669 -10.261 -12.295
  312    HA   VAL  42           HA       VAL  42 -40.817  -7.792 -13.266
  313    HB   VAL  42           HB       VAL  42 -42.096 -10.274 -14.379
  314   HG11  VAL  42          HG11      VAL  42 -41.958  -7.594 -15.722
  315   HG12  VAL  42          HG12      VAL  42 -43.183  -8.835 -15.827
  316   HG13  VAL  42          HG13      VAL  42 -41.669  -9.029 -16.682
  317   HG21  VAL  42          HG21      VAL  42 -40.014 -10.536 -15.529
  318   HG22  VAL  42          HG22      VAL  42 -39.603 -10.033 -13.886
  319   HG23  VAL  42          HG23      VAL  42 -39.547  -8.867 -15.206
  320    H    GLU  43           HN       GLU  43 -41.916  -6.130 -14.134
  321    HA   GLU  43           HA       GLU  43 -44.825  -5.981 -13.612
  322    HB2  GLU  43           HB2      GLU  43 -42.699  -3.834 -13.585
  323    HB3  GLU  43           HB1      GLU  43 -44.428  -3.516 -13.473
  324    HG2  GLU  43           HG2      GLU  43 -42.870  -5.272 -11.557
  325    HG3  GLU  43           HG1      GLU  43 -43.331  -3.603 -11.237
  326    H    GLY  44           HN       GLY  44 -43.980  -7.197 -15.942
  327    HA2  GLY  44           HA2      GLY  44 -45.121  -5.430 -17.913
  328    HA3  GLY  44           HA1      GLY  44 -43.406  -5.715 -18.172
  329    H    GLY  45           HN       GLY  45 -42.741  -7.637 -19.067
  330    HA2  GLY  45           HA2      GLY  45 -44.771  -9.742 -19.548
  331    HA3  GLY  45           HA1      GLY  45 -43.783  -9.097 -20.857
  332    H    THR  46           HN       THR  46 -42.604 -10.916 -21.373
  333    HA   THR  46           HA       THR  46 -41.368 -12.541 -19.340
  334    HB   THR  46           HB       THR  46 -40.966 -12.535 -22.336
  335    HG1  THR  46           HG1      THR  46 -43.119 -12.955 -21.511
  336   HG21  THR  46          HG21      THR  46 -40.091 -14.360 -20.104
  337   HG22  THR  46          HG22      THR  46 -39.145 -13.726 -21.451
  338   HG23  THR  46          HG23      THR  46 -40.343 -14.986 -21.733
  339    H    TRP  47           HN       TRP  47 -38.985 -13.035 -19.486
  340    HA   TRP  47           HA       TRP  47 -37.244 -10.916 -20.397
  341    HB2  TRP  47           HB2      TRP  47 -37.998 -11.238 -17.533
  342    HB3  TRP  47           HB1      TRP  47 -36.306 -10.893 -17.875
  343    HD1  TRP  47           HD1      TRP  47 -39.610  -9.299 -17.542
  344    HE1  TRP  47           HE1      TRP  47 -39.462  -6.802 -18.151
  345    HE3  TRP  47           HE3      TRP  47 -35.019  -9.219 -19.723
  346    HZ2  TRP  47           HZ2      TRP  47 -37.633  -5.007 -19.433
  347    HZ3  TRP  47           HZ3      TRP  47 -34.086  -7.108 -20.625
  348    HH2  TRP  47           HH2      TRP  47 -35.388  -5.007 -20.491
  349    H    ALA  48           HN       ALA  48 -35.032 -11.414 -20.107
  350    HA   ALA  48           HA       ALA  48 -34.472 -14.305 -19.701
  351    HB1  ALA  48           HB1      ALA  48 -34.129 -13.847 -22.014
  352    HB2  ALA  48           HB2      ALA  48 -32.530 -13.866 -21.278
  353    HB3  ALA  48           HB3      ALA  48 -33.303 -12.329 -21.670
  354    H    VAL  49           HN       VAL  49 -33.218 -14.654 -18.000
  355    HA   VAL  49           HA       VAL  49 -31.415 -12.479 -17.059
  356    HB   VAL  49           HB       VAL  49 -31.725 -13.622 -14.792
  357   HG11  VAL  49          HG11      VAL  49 -32.805 -11.455 -15.483
  358   HG12  VAL  49          HG12      VAL  49 -33.758 -12.382 -14.324
  359   HG13  VAL  49          HG13      VAL  49 -34.199 -12.383 -16.032
  360   HG21  VAL  49          HG21      VAL  49 -33.654 -15.016 -14.485
  361   HG22  VAL  49          HG22      VAL  49 -32.756 -15.683 -15.843
  362   HG23  VAL  49          HG23      VAL  49 -34.203 -14.722 -16.138
  363    H    TYR  50           HN       TYR  50 -29.326 -12.944 -16.850
  364    HA   TYR  50           HA       TYR  50 -28.450 -15.739 -17.309
  365    HB2  TYR  50           HB2      TYR  50 -26.974 -13.108 -17.627
  366    HB3  TYR  50           HB1      TYR  50 -26.287 -14.704 -17.932
  367    HD1  TYR  50           HD1      TYR  50 -28.815 -12.244 -19.031
  368    HD2  TYR  50           HD2      TYR  50 -26.856 -15.962 -19.912
  369    HE1  TYR  50           HE1      TYR  50 -29.774 -12.205 -21.316
  370    HE2  TYR  50           HE2      TYR  50 -27.815 -15.925 -22.198
  371    HH   TYR  50           HH       TYR  50 -29.071 -14.817 -23.641
  372    H    GLU  51           HN       GLU  51 -28.081 -16.757 -15.433
  373    HA   GLU  51           HA       GLU  51 -27.841 -15.938 -12.905
  374    HB2  GLU  51           HB2      GLU  51 -27.607 -18.301 -13.644
  375    HB3  GLU  51           HB1      GLU  51 -25.951 -17.955 -14.138
  376    HG2  GLU  51           HG2      GLU  51 -25.417 -17.288 -11.795
  377    HG3  GLU  51           HG1      GLU  51 -27.061 -17.726 -11.323
  378    H    ARG  52           HN       ARG  52 -25.283 -15.658 -15.319
  379    HA   ARG  52           HA       ARG  52 -23.639 -14.161 -13.363
  380    HB2  ARG  52           HB2      ARG  52 -22.668 -15.525 -15.880
  381    HB3  ARG  52           HB1      ARG  52 -21.692 -14.888 -14.554
  382    HG2  ARG  52           HG2      ARG  52 -22.689 -16.551 -13.027
  383    HG3  ARG  52           HG1      ARG  52 -23.651 -17.196 -14.356
  384    HD2  ARG  52           HD2      ARG  52 -21.355 -17.479 -15.566
  385    HD3  ARG  52           HD1      ARG  52 -20.670 -17.326 -13.949
  386    HE   ARG  52           HE       ARG  52 -22.258 -19.547 -14.967
  387   HH11  ARG  52          HH21      ARG  52 -20.931 -17.870 -12.242
  388   HH12  ARG  52          HH22      ARG  52 -20.996 -19.246 -11.191
  389   HH21  ARG  52          HH11      ARG  52 -22.350 -21.348 -13.596
  390   HH22  ARG  52          HH12      ARG  52 -21.800 -21.217 -11.958
  391    HA   PRO  53           HA       PRO  53 -24.164 -10.608 -16.000
  392    HB2  PRO  53           HB2      PRO  53 -21.842  -9.236 -15.423
  393    HB3  PRO  53           HB1      PRO  53 -23.216  -9.317 -14.309
  394    HG2  PRO  53           HG2      PRO  53 -20.701 -10.913 -14.322
  395    HG3  PRO  53           HG1      PRO  53 -21.555 -10.177 -12.954
  396    HD2  PRO  53           HD2      PRO  53 -21.767 -12.817 -13.510
  397    HD3  PRO  53           HD1      PRO  53 -23.129 -11.896 -12.837
  398    H    ASN  54           HN       ASN  54 -23.381  -9.636 -17.912
  399    HA   ASN  54           HA       ASN  54 -22.078  -9.380 -19.789
  400    HB2  ASN  54           HB2      ASN  54 -20.383 -11.759 -19.047
  401    HB3  ASN  54           HB1      ASN  54 -19.973 -10.370 -20.050
  402   HD21  ASN  54          HD21      ASN  54 -19.523 -11.634 -16.958
  403   HD22  ASN  54          HD22      ASN  54 -19.136 -10.192 -16.149
  404    H    PHE  55           HN       PHE  55 -24.017 -11.839 -18.853
  405    HA   PHE  55           HA       PHE  55 -25.442 -13.127 -20.116
  406    HB2  PHE  55           HB2      PHE  55 -23.734 -12.754 -22.576
  407    HB3  PHE  55           HB1      PHE  55 -25.458 -13.097 -22.461
  408    HD1  PHE  55           HD2      PHE  55 -26.695 -11.279 -20.800
  409    HD2  PHE  55           HD1      PHE  55 -23.264 -10.560 -23.283
  410    HE1  PHE  55           HE2      PHE  55 -27.224  -8.860 -20.825
  411    HE2  PHE  55           HE1      PHE  55 -23.796  -8.135 -23.309
  412    HZ   PHE  55           HZ       PHE  55 -25.781  -7.289 -22.082
  413    H    ALA  56           HN       ALA  56 -23.848 -14.370 -18.513
  414    HA   ALA  56           HA       ALA  56 -22.969 -16.753 -20.031
  415    HB1  ALA  56           HB1      ALA  56 -20.933 -15.499 -19.544
  416    HB2  ALA  56           HB2      ALA  56 -20.993 -16.956 -18.553
  417    HB3  ALA  56           HB3      ALA  56 -21.378 -15.388 -17.842
  418    H    GLY  57           HN       GLY  57 -22.838 -18.694 -18.680
  419    HA2  GLY  57           HA2      GLY  57 -23.388 -19.981 -16.781
  420    HA3  GLY  57           HA1      GLY  57 -24.252 -18.601 -16.106
  421    H    TYR  58           HN       TYR  58 -26.043 -19.984 -15.672
  422    HA   TYR  58           HA       TYR  58 -27.404 -21.361 -17.795
  423    HB2  TYR  58           HB2      TYR  58 -28.561 -20.570 -15.118
  424    HB3  TYR  58           HB1      TYR  58 -29.044 -21.916 -16.148
  425    HD1  TYR  58           HD2      TYR  58 -26.728 -23.362 -16.885
  426    HD2  TYR  58           HD1      TYR  58 -27.457 -21.288 -13.191
  427    HE1  TYR  58           HE2      TYR  58 -25.065 -24.800 -15.749
  428    HE2  TYR  58           HE1      TYR  58 -25.789 -22.727 -12.057
  429    HH   TYR  58           HH       TYR  58 -23.930 -25.167 -13.873
  430    H    MET  59           HN       MET  59 -29.121 -20.713 -18.996
  431    HA   MET  59           HA       MET  59 -29.852 -17.852 -18.838
  432    HB2  MET  59           HB2      MET  59 -30.474 -19.716 -21.126
  433    HB3  MET  59           HB1      MET  59 -30.360 -17.956 -21.135
  434    HG2  MET  59           HG2      MET  59 -28.327 -18.629 -22.112
  435    HG3  MET  59           HG1      MET  59 -27.879 -18.338 -20.430
  436    HE1  MET  59           HE1      MET  59 -26.089 -19.892 -22.272
  437    HE2  MET  59           HE2      MET  59 -27.359 -20.600 -23.266
  438    HE3  MET  59           HE3      MET  59 -26.262 -21.651 -22.374
  439    H    TYR  60           HN       TYR  60 -31.388 -18.035 -17.167
  440    HA   TYR  60           HA       TYR  60 -33.727 -19.755 -17.620
  441    HB2  TYR  60           HB2      TYR  60 -32.614 -19.470 -15.332
  442    HB3  TYR  60           HB1      TYR  60 -33.294 -17.846 -15.314
  443    HD1  TYR  60           HD2      TYR  60 -35.815 -17.574 -15.634
  444    HD2  TYR  60           HD1      TYR  60 -33.950 -21.349 -14.776
  445    HE1  TYR  60           HE2      TYR  60 -37.998 -18.493 -14.898
  446    HE2  TYR  60           HE1      TYR  60 -36.137 -22.261 -14.042
  447    HH   TYR  60           HH       TYR  60 -38.432 -20.951 -13.056
  448    H    ILE  61           HN       ILE  61 -35.662 -18.995 -18.283
  449    HA   ILE  61           HA       ILE  61 -35.811 -16.138 -19.037
  450    HB   ILE  61           HB       ILE  61 -37.383 -18.571 -19.915
  451   HG12  ILE  61          HG12      ILE  61 -36.365 -17.945 -22.132
  452   HG13  ILE  61          HG11      ILE  61 -35.407 -16.730 -21.292
  453   HG21  ILE  61          HG21      ILE  61 -38.339 -16.874 -21.600
  454   HG22  ILE  61          HG22      ILE  61 -37.770 -15.632 -20.484
  455   HG23  ILE  61          HG23      ILE  61 -38.969 -16.812 -19.953
  456   HD11  ILE  61          HD11      ILE  61 -34.037 -18.292 -20.299
  457   HD12  ILE  61          HD12      ILE  61 -34.475 -19.202 -21.741
  458   HD13  ILE  61          HD13      ILE  61 -35.298 -19.523 -20.214
  459    H    LEU  62           HN       LEU  62 -36.445 -15.203 -17.059
  460    HA   LEU  62           HA       LEU  62 -38.517 -16.324 -15.458
  461    HB2  LEU  62           HB2      LEU  62 -36.641 -14.126 -15.329
  462    HB3  LEU  62           HB1      LEU  62 -38.235 -13.544 -14.855
  463    HG   LEU  62           HG       LEU  62 -36.970 -16.060 -13.703
  464   HD11  LEU  62          HD11      LEU  62 -36.933 -13.210 -12.657
  465   HD12  LEU  62          HD12      LEU  62 -35.532 -14.180 -13.119
  466   HD13  LEU  62          HD13      LEU  62 -36.487 -14.623 -11.703
  467   HD21  LEU  62          HD21      LEU  62 -39.450 -14.440 -13.138
  468   HD22  LEU  62          HD22      LEU  62 -38.652 -15.289 -11.811
  469   HD23  LEU  62          HD23      LEU  62 -39.239 -16.192 -13.211
  470    HA   PRO  63           HA       PRO  63 -41.648 -14.521 -18.216
  471    HB2  PRO  63           HB2      PRO  63 -43.770 -16.030 -17.495
  472    HB3  PRO  63           HB1      PRO  63 -42.452 -16.673 -18.498
  473    HG2  PRO  63           HG2      PRO  63 -42.982 -17.070 -15.588
  474    HG3  PRO  63           HG1      PRO  63 -42.366 -18.219 -16.788
  475    HD2  PRO  63           HD2      PRO  63 -40.772 -16.798 -14.975
  476    HD3  PRO  63           HD1      PRO  63 -40.196 -17.565 -16.453
  477    H    GLN  64           HN       GLN  64 -43.733 -13.379 -17.931
  478    HA   GLN  64           HA       GLN  64 -43.701 -11.517 -15.846
  479    HB2  GLN  64           HB2      GLN  64 -45.022 -11.599 -18.141
  480    HB3  GLN  64           HB1      GLN  64 -46.304 -12.289 -17.149
  481    HG2  GLN  64           HG2      GLN  64 -44.988  -9.584 -16.857
  482    HG3  GLN  64           HG1      GLN  64 -46.683  -9.933 -17.167
  483   HE21  GLN  64          HE21      GLN  64 -44.495  -9.194 -14.675
  484   HE22  GLN  64          HE22      GLN  64 -45.450  -9.695 -13.365
  485    H    GLY  65           HN       GLY  65 -44.064 -11.816 -13.740
  486    HA2  GLY  65           HA2      GLY  65 -46.345 -12.857 -12.569
  487    HA3  GLY  65           HA1      GLY  65 -45.219 -14.206 -12.676
  488    H    GLU  66           HN       GLU  66 -45.790 -13.735 -10.190
  489    HA   GLU  66           HA       GLU  66 -43.832 -11.840  -9.085
  490    HB2  GLU  66           HB2      GLU  66 -46.205 -13.235  -7.838
  491    HB3  GLU  66           HB1      GLU  66 -45.067 -12.217  -6.951
  492    HG2  GLU  66           HG2      GLU  66 -45.587 -10.321  -8.410
  493    HG3  GLU  66           HG1      GLU  66 -46.680 -11.333  -9.357
  494    H    TYR  67           HN       TYR  67 -42.439 -12.506  -7.398
  495    HA   TYR  67           HA       TYR  67 -42.076 -15.379  -6.998
  496    HB2  TYR  67           HB2      TYR  67 -39.749 -13.642  -7.902
  497    HB3  TYR  67           HB1      TYR  67 -39.701 -15.344  -7.516
  498    HD1  TYR  67           HD1      TYR  67 -41.615 -13.022  -9.844
  499    HD2  TYR  67           HD2      TYR  67 -39.830 -16.887  -9.253
  500    HE1  TYR  67           HE1      TYR  67 -42.309 -13.681 -12.105
  501    HE2  TYR  67           HE2      TYR  67 -40.539 -17.545 -11.526
  502    HH   TYR  67           HH       TYR  67 -42.737 -16.509 -13.103
  503    HA   PRO  68           HA       PRO  68 -41.961 -12.591  -3.188
  504    HB2  PRO  68           HB2      PRO  68 -42.826 -15.245  -2.113
  505    HB3  PRO  68           HB1      PRO  68 -43.398 -13.617  -1.695
  506    HG2  PRO  68           HG2      PRO  68 -44.815 -15.263  -3.282
  507    HG3  PRO  68           HG1      PRO  68 -44.819 -13.503  -3.496
  508    HD2  PRO  68           HD2      PRO  68 -43.546 -15.590  -5.198
  509    HD3  PRO  68           HD1      PRO  68 -44.049 -13.939  -5.627
  510    H    GLU  69           HN       GLU  69 -40.340 -15.407  -4.265
  511    HA   GLU  69           HA       GLU  69 -38.092 -14.818  -2.534
  512    HB2  GLU  69           HB2      GLU  69 -39.495 -17.511  -2.414
  513    HB3  GLU  69           HB1      GLU  69 -37.902 -17.174  -1.743
  514    HG2  GLU  69           HG2      GLU  69 -38.929 -15.398  -0.317
  515    HG3  GLU  69           HG1      GLU  69 -40.510 -15.874  -0.920
  516    H    TYR  70           HN       TYR  70 -36.210 -16.177  -3.183
  517    HA   TYR  70           HA       TYR  70 -35.952 -16.192  -5.991
  518    HB2  TYR  70           HB2      TYR  70 -33.741 -17.341  -5.501
  519    HB3  TYR  70           HB1      TYR  70 -33.986 -15.800  -4.680
  520    HD1  TYR  70           HD2      TYR  70 -34.843 -15.815  -2.275
  521    HD2  TYR  70           HD1      TYR  70 -33.392 -19.337  -4.266
  522    HE1  TYR  70           HE2      TYR  70 -34.599 -16.948  -0.090
  523    HE2  TYR  70           HE1      TYR  70 -33.139 -20.465  -2.069
  524    HH   TYR  70           HH       TYR  70 -34.598 -19.486   0.670
  525    H    GLN  71           HN       GLN  71 -36.175 -18.853  -3.668
  526    HA   GLN  71           HA       GLN  71 -35.895 -21.084  -5.203
  527    HB2  GLN  71           HB2      GLN  71 -38.128 -20.787  -3.200
  528    HB3  GLN  71           HB1      GLN  71 -37.320 -22.275  -3.694
  529    HG2  GLN  71           HG2      GLN  71 -35.177 -21.369  -2.814
  530    HG3  GLN  71           HG1      GLN  71 -36.051 -19.946  -2.240
  531   HE21  GLN  71          HE21      GLN  71 -38.453 -21.774  -1.624
  532   HE22  GLN  71          HE22      GLN  71 -38.028 -22.510  -0.150
  533    H    ARG  72           HN       ARG  72 -38.232 -18.702  -5.812
  534    HA   ARG  72           HA       ARG  72 -40.219 -20.467  -6.970
  535    HB2  ARG  72           HB2      ARG  72 -39.866 -17.487  -6.822
  536    HB3  ARG  72           HB1      ARG  72 -41.043 -18.183  -7.934
  537    HG2  ARG  72           HG2      ARG  72 -42.287 -17.740  -6.002
  538    HG3  ARG  72           HG1      ARG  72 -41.947 -19.464  -5.881
  539    HD2  ARG  72           HD2      ARG  72 -39.828 -18.613  -4.530
  540    HD3  ARG  72           HD1      ARG  72 -40.824 -17.177  -4.299
  541    HE   ARG  72           HE       ARG  72 -41.278 -19.807  -3.168
  542   HH11  ARG  72          HH21      ARG  72 -42.610 -16.761  -4.105
  543   HH12  ARG  72          HH22      ARG  72 -43.967 -16.863  -3.033
  544   HH21  ARG  72          HH11      ARG  72 -43.060 -19.970  -1.772
  545   HH22  ARG  72          HH12      ARG  72 -44.221 -18.688  -1.707
  546    H    TRP  73           HN       TRP  73 -37.174 -19.727  -7.940
  547    HA   TRP  73           HA       TRP  73 -37.886 -19.890 -10.838
  548    HB2  TRP  73           HB2      TRP  73 -35.815 -18.669 -11.372
  549    HB3  TRP  73           HB1      TRP  73 -36.902 -17.699 -10.381
  550    HD1  TRP  73           HD1      TRP  73 -35.310 -20.207  -8.222
  551    HE1  TRP  73           HE1      TRP  73 -33.412 -19.209  -6.879
  552    HE3  TRP  73           HE3      TRP  73 -34.760 -15.843 -10.741
  553    HZ2  TRP  73           HZ2      TRP  73 -31.846 -16.846  -6.859
  554    HZ3  TRP  73           HZ3      TRP  73 -33.031 -14.216 -10.037
  555    HH2  TRP  73           HH2      TRP  73 -31.572 -14.720  -8.103
  556    H    MET  74           HN       MET  74 -37.221 -21.877  -8.647
  557    HA   MET  74           HA       MET  74 -36.443 -24.070  -8.809
  558    HB2  MET  74           HB2      MET  74 -34.458 -23.087 -10.887
  559    HB3  MET  74           HB1      MET  74 -34.669 -24.749 -10.347
  560    HG2  MET  74           HG2      MET  74 -36.950 -23.155 -11.510
  561    HG3  MET  74           HG1      MET  74 -35.861 -24.125 -12.507
  562    HE1  MET  74           HE1      MET  74 -39.591 -25.641 -11.213
  563    HE2  MET  74           HE2      MET  74 -38.937 -24.552 -12.431
  564    HE3  MET  74           HE3      MET  74 -39.056 -24.018 -10.756
  565    H    GLY  75           HN       GLY  75 -35.466 -21.646  -7.314
  566    HA2  GLY  75           HA2      GLY  75 -33.653 -20.950  -5.961
  567    HA3  GLY  75           HA1      GLY  75 -33.924 -22.570  -5.329
  568    H    LEU  76           HN       LEU  76 -32.340 -21.118  -8.212
  569    HA   LEU  76           HA       LEU  76 -30.241 -23.142  -8.171
  570    HB2  LEU  76           HB2      LEU  76 -30.540 -20.757  -9.991
  571    HB3  LEU  76           HB1      LEU  76 -29.582 -22.210 -10.284
  572    HG   LEU  76           HG       LEU  76 -32.591 -22.192  -9.954
  573   HD11  LEU  76          HD11      LEU  76 -30.939 -22.447 -12.481
  574   HD12  LEU  76          HD12      LEU  76 -31.792 -20.984 -11.994
  575   HD13  LEU  76          HD13      LEU  76 -32.700 -22.447 -12.378
  576   HD21  LEU  76          HD21      LEU  76 -32.245 -24.483 -11.100
  577   HD22  LEU  76          HD22      LEU  76 -31.753 -24.365  -9.413
  578   HD23  LEU  76          HD23      LEU  76 -30.539 -24.296 -10.689
  579    H    ASN  77           HN       ASN  77 -30.595 -20.822  -6.191
  580    HA   ASN  77           HA       ASN  77 -28.887 -20.016  -4.781
  581    HB2  ASN  77           HB2      ASN  77 -27.116 -21.038  -6.329
  582    HB3  ASN  77           HB1      ASN  77 -27.161 -19.515  -7.204
  583   HD21  ASN  77          HD21      ASN  77 -25.092 -18.773  -6.629
  584   HD22  ASN  77          HD22      ASN  77 -24.652 -18.408  -5.026
  585    H    ASP  78           HN       ASP  78 -28.267 -17.799  -4.341
  586    HA   ASP  78           HA       ASP  78 -30.096 -15.930  -5.614
  587    HB2  ASP  78           HB2      ASP  78 -29.388 -14.383  -3.848
  588    HB3  ASP  78           HB1      ASP  78 -29.852 -15.938  -3.161
  589    H    ARG  79           HN       ARG  79 -28.631 -16.347  -7.640
  590    HA   ARG  79           HA       ARG  79 -26.683 -14.116  -7.767
  591    HB2  ARG  79           HB2      ARG  79 -25.600 -16.441  -7.729
  592    HB3  ARG  79           HB1      ARG  79 -26.368 -16.709  -9.292
  593    HG2  ARG  79           HG2      ARG  79 -24.351 -15.843 -10.032
  594    HG3  ARG  79           HG1      ARG  79 -25.240 -14.333  -9.848
  595    HD2  ARG  79           HD2      ARG  79 -23.077 -14.086  -8.784
  596    HD3  ARG  79           HD1      ARG  79 -24.302 -14.150  -7.521
  597    HE   ARG  79           HE       ARG  79 -23.330 -16.763  -8.038
  598   HH11  ARG  79          HH21      ARG  79 -22.421 -13.722  -6.660
  599   HH12  ARG  79          HH22      ARG  79 -21.307 -14.415  -5.529
  600   HH21  ARG  79          HH11      ARG  79 -21.879 -17.676  -6.562
  601   HH22  ARG  79          HH12      ARG  79 -20.998 -16.656  -5.474
  602    H    LEU  80           HN       LEU  80 -27.628 -12.630  -9.074
  603    HA   LEU  80           HA       LEU  80 -28.639 -13.533 -11.684
  604    HB2  LEU  80           HB2      LEU  80 -30.463 -13.273  -9.731
  605    HB3  LEU  80           HB1      LEU  80 -30.329 -11.576 -10.182
  606    HG   LEU  80           HG       LEU  80 -32.133 -12.586 -11.438
  607   HD11  LEU  80          HD11      LEU  80 -31.566 -11.724 -13.517
  608   HD12  LEU  80          HD12      LEU  80 -29.911 -12.343 -13.444
  609   HD13  LEU  80          HD13      LEU  80 -30.391 -10.955 -12.461
  610   HD21  LEU  80          HD21      LEU  80 -30.396 -14.411 -13.027
  611   HD22  LEU  80          HD22      LEU  80 -32.054 -14.628 -12.466
  612   HD23  LEU  80          HD23      LEU  80 -30.709 -14.928 -11.368
  613    H    SER  81           HN       SER  81 -28.005 -12.238 -13.251
  614    HA   SER  81           HA       SER  81 -26.878  -9.585 -12.556
  615    HB2  SER  81           HB2      SER  81 -25.329  -9.881 -14.215
  616    HB3  SER  81           HB1      SER  81 -25.535 -11.553 -13.716
  617    HG   SER  81           HG       SER  81 -26.169 -10.312 -16.075
  618    H    SER  82           HN       SER  82 -26.846  -8.468 -15.204
  619    HA   SER  82           HA       SER  82 -29.260  -7.253 -15.375
  620    HB2  SER  82           HB2      SER  82 -27.017  -7.789 -17.265
  621    HB3  SER  82           HB1      SER  82 -28.502  -7.110 -17.927
  622    HG   SER  82           HG       SER  82 -27.400  -6.051 -15.573
  623    H    CYS  83           HN       CYS  83 -30.418  -7.414 -17.731
  624    HA   CYS  83           HA       CYS  83 -31.146 -10.171 -18.313
  625    HB2  CYS  83           HB2      CYS  83 -33.440  -9.942 -17.727
  626    HB3  CYS  83           HB1      CYS  83 -32.550  -9.271 -16.352
  627    HG   CYS  83           HG       CYS  83 -33.061  -6.867 -17.239
  628    H    ARG  84           HN       ARG  84 -32.268 -10.386 -20.323
  629    HA   ARG  84           HA       ARG  84 -32.280  -7.939 -22.002
  630    HB2  ARG  84           HB2      ARG  84 -31.800 -10.832 -22.758
  631    HB3  ARG  84           HB1      ARG  84 -31.959  -9.504 -23.909
  632    HG2  ARG  84           HG2      ARG  84 -30.039  -8.363 -22.890
  633    HG3  ARG  84           HG1      ARG  84 -29.892  -9.654 -21.696
  634    HD2  ARG  84           HD2      ARG  84 -28.285 -10.053 -23.471
  635    HD3  ARG  84           HD1      ARG  84 -29.552 -11.276 -23.567
  636    HE   ARG  84           HE       ARG  84 -30.188  -9.033 -25.208
  637   HH11  ARG  84          HH21      ARG  84 -28.162 -11.823 -24.953
  638   HH12  ARG  84          HH22      ARG  84 -27.979 -12.020 -26.663
  639   HH21  ARG  84          HH11      ARG  84 -29.953  -9.282 -27.455
  640   HH22  ARG  84          HH12      ARG  84 -28.994 -10.581 -28.082
  641    H    ALA  85           HN       ALA  85 -34.206  -7.332 -22.768
  642    HA   ALA  85           HA       ALA  85 -36.612  -8.560 -22.019
  643    HB1  ALA  85           HB1      ALA  85 -36.299  -6.165 -22.740
  644    HB2  ALA  85           HB2      ALA  85 -37.695  -6.971 -23.452
  645    HB3  ALA  85           HB3      ALA  85 -36.228  -6.744 -24.403
  646    H    VAL  86           HN       VAL  86 -37.822 -10.135 -22.853
  647    HA   VAL  86           HA       VAL  86 -37.161 -11.125 -25.588
  648    HB   VAL  86           HB       VAL  86 -37.637 -12.761 -23.086
  649   HG11  VAL  86          HG11      VAL  86 -37.560 -13.515 -26.005
  650   HG12  VAL  86          HG12      VAL  86 -38.824 -13.878 -24.832
  651   HG13  VAL  86          HG13      VAL  86 -37.261 -14.688 -24.725
  652   HG21  VAL  86          HG21      VAL  86 -35.346 -12.166 -23.167
  653   HG22  VAL  86          HG22      VAL  86 -35.283 -12.287 -24.926
  654   HG23  VAL  86          HG23      VAL  86 -35.393 -13.748 -23.945
  655    H    HIS  87           HN       HIS  87 -38.839 -11.413 -26.900
  656    HA   HIS  87           HA       HIS  87 -41.552 -10.978 -25.818
  657    HB2  HIS  87           HB2      HIS  87 -40.498 -10.904 -28.657
  658    HB3  HIS  87           HB1      HIS  87 -42.174 -10.608 -28.189
  659    HD2  HIS  87           HD2      HIS  87 -38.834  -8.691 -28.385
  660    HE1  HIS  87           HE1      HIS  87 -41.513  -6.241 -26.229
  661    HE2  HIS  87           HE2      HIS  87 -39.251  -6.318 -27.380
  662    H    LEU  88           HN       LEU  88 -43.311 -12.277 -26.760
  663    HA   LEU  88           HA       LEU  88 -42.627 -15.085 -26.638
  664    HB2  LEU  88           HB2      LEU  88 -45.408 -14.149 -27.276
  665    HB3  LEU  88           HB1      LEU  88 -44.876 -15.451 -26.214
  666    HG   LEU  88           HG       LEU  88 -44.638 -12.476 -25.631
  667   HD11  LEU  88          HD11      LEU  88 -46.310 -12.968 -23.888
  668   HD12  LEU  88          HD12      LEU  88 -46.382 -14.644 -24.429
  669   HD13  LEU  88          HD13      LEU  88 -46.935 -13.351 -25.491
  670   HD21  LEU  88          HD21      LEU  88 -43.847 -14.949 -24.054
  671   HD22  LEU  88          HD22      LEU  88 -43.969 -13.338 -23.345
  672   HD23  LEU  88          HD23      LEU  88 -42.777 -13.660 -24.605
  673    HA   PRO  89           HA       PRO  89 -42.487 -15.797 -31.020
  674    HB2  PRO  89           HB2      PRO  89 -43.420 -18.381 -31.199
  675    HB3  PRO  89           HB1      PRO  89 -41.799 -17.965 -30.611
  676    HG2  PRO  89           HG2      PRO  89 -44.263 -18.631 -29.054
  677    HG3  PRO  89           HG1      PRO  89 -42.584 -19.131 -28.778
  678    HD2  PRO  89           HD2      PRO  89 -43.733 -17.117 -27.348
  679    HD3  PRO  89           HD1      PRO  89 -42.003 -17.127 -27.745
  680    H    SER  90           HN       SER  90 -43.762 -15.794 -32.872
  681    HA   SER  90           HA       SER  90 -46.616 -16.266 -32.712
  682    HB2  SER  90           HB2      SER  90 -46.424 -13.952 -31.849
  683    HB3  SER  90           HB1      SER  90 -45.582 -13.485 -33.322
  684    HG   SER  90           HG       SER  90 -47.538 -13.146 -34.030
  685    H    GLY  91           HN       GLY  91 -47.647 -15.758 -34.869
  686    HA2  GLY  91           HA2      GLY  91 -47.671 -15.826 -37.188
  687    HA3  GLY  91           HA1      GLY  91 -45.918 -15.627 -37.176
  688    H    GLY  92           HN       GLY  92 -44.653 -17.581 -36.457
  689    HA2  GLY  92           HA2      GLY  92 -45.532 -19.852 -37.979
  690    HA3  GLY  92           HA1      GLY  92 -44.028 -19.725 -37.067
  691    H    GLN  93           HN       GLN  93 -47.241 -19.185 -35.761
  692    HA   GLN  93           HA       GLN  93 -48.121 -20.037 -33.792
  693    HB2  GLN  93           HB2      GLN  93 -48.767 -22.520 -34.232
  694    HB3  GLN  93           HB1      GLN  93 -49.403 -21.273 -35.307
  695    HG2  GLN  93           HG2      GLN  93 -47.678 -21.743 -36.958
  696    HG3  GLN  93           HG1      GLN  93 -46.901 -22.891 -35.872
  697   HE21  GLN  93          HE21      GLN  93 -48.239 -24.862 -35.278
  698   HE22  GLN  93          HE22      GLN  93 -49.351 -25.449 -36.426
  699    H    TYR  94           HN       TYR  94 -47.077 -23.224 -34.119
  700    HA   TYR  94           HA       TYR  94 -44.683 -22.953 -32.487
  701    HB2  TYR  94           HB2      TYR  94 -46.700 -22.862 -30.927
  702    HB3  TYR  94           HB1      TYR  94 -46.994 -24.535 -31.383
  703    HD1  TYR  94           HD1      TYR  94 -44.398 -22.247 -30.040
  704    HD2  TYR  94           HD2      TYR  94 -45.778 -26.301 -30.355
  705    HE1  TYR  94           HE1      TYR  94 -42.669 -22.959 -28.417
  706    HE2  TYR  94           HE2      TYR  94 -44.045 -27.015 -28.729
  707    HH   TYR  94           HH       TYR  94 -41.829 -24.637 -27.254
  708    H    LYS  95           HN       LYS  95 -43.315 -24.251 -33.541
  709    HA   LYS  95           HA       LYS  95 -44.049 -27.044 -33.967
  710    HB2  LYS  95           HB2      LYS  95 -44.820 -25.813 -36.020
  711    HB3  LYS  95           HB1      LYS  95 -43.144 -25.346 -36.300
  712    HG2  LYS  95           HG2      LYS  95 -43.632 -27.316 -37.633
  713    HG3  LYS  95           HG1      LYS  95 -42.518 -27.764 -36.344
  714    HD2  LYS  95           HD2      LYS  95 -44.083 -29.031 -35.213
  715    HD3  LYS  95           HD1      LYS  95 -45.443 -28.046 -35.761
  716    HE2  LYS  95           HE2      LYS  95 -43.876 -29.802 -37.663
  717    HE3  LYS  95           HE1      LYS  95 -45.271 -30.405 -36.763
  718    HZ1  LYS  95           HZ1      LYS  95 -46.104 -28.025 -37.794
  719    HZ2  LYS  95           HZ2      LYS  95 -46.488 -29.564 -38.401
  720    HZ3  LYS  95           HZ3      LYS  95 -45.182 -28.694 -39.050
  721    H    ILE  96           HN       ILE  96 -42.372 -28.382 -33.813
  722    HA   ILE  96           HA       ILE  96 -39.620 -27.316 -33.983
  723    HB   ILE  96           HB       ILE  96 -39.896 -27.265 -31.660
  724   HG12  ILE  96          HG12      ILE  96 -39.044 -30.150 -31.982
  725   HG13  ILE  96          HG11      ILE  96 -38.012 -28.820 -32.499
  726   HG21  ILE  96          HG21      ILE  96 -41.094 -29.016 -30.387
  727   HG22  ILE  96          HG22      ILE  96 -41.424 -29.869 -31.893
  728   HG23  ILE  96          HG23      ILE  96 -42.137 -28.282 -31.603
  729   HD11  ILE  96          HD11      ILE  96 -38.170 -27.876 -30.176
  730   HD12  ILE  96          HD12      ILE  96 -37.390 -29.455 -30.237
  731   HD13  ILE  96          HD13      ILE  96 -39.064 -29.322 -29.702
  732    H    GLN  97           HN       GLN  97 -38.097 -28.719 -34.610
  733    HA   GLN  97           HA       GLN  97 -38.909 -31.471 -35.328
  734    HB2  GLN  97           HB2      GLN  97 -37.573 -29.361 -36.968
  735    HB3  GLN  97           HB1      GLN  97 -37.004 -31.018 -37.172
  736    HG2  GLN  97           HG2      GLN  97 -39.345 -31.744 -37.598
  737    HG3  GLN  97           HG1      GLN  97 -39.876 -30.069 -37.462
  738   HE21  GLN  97          HE21      GLN  97 -36.807 -30.050 -38.837
  739   HE22  GLN  97          HE22      GLN  97 -37.255 -30.011 -40.476
  740    H    ILE  98           HN       ILE  98 -37.668 -32.993 -34.507
  741    HA   ILE  98           HA       ILE  98 -35.062 -32.212 -33.306
  742    HB   ILE  98           HB       ILE  98 -36.778 -34.511 -32.353
  743   HG12  ILE  98          HG12      ILE  98 -36.919 -31.624 -31.430
  744   HG13  ILE  98          HG11      ILE  98 -38.196 -32.479 -32.297
  745   HG21  ILE  98          HG21      ILE  98 -34.416 -34.323 -31.660
  746   HG22  ILE  98          HG22      ILE  98 -35.509 -34.118 -30.288
  747   HG23  ILE  98          HG23      ILE  98 -34.748 -32.713 -31.028
  748   HD11  ILE  98          HD11      ILE  98 -37.237 -32.872 -29.478
  749   HD12  ILE  98          HD12      ILE  98 -37.987 -34.221 -30.335
  750   HD13  ILE  98          HD13      ILE  98 -38.885 -32.726 -30.080
  751    H    PHE  99           HN       PHE  99 -33.330 -33.317 -33.934
  752    HA   PHE  99           HA       PHE  99 -33.737 -35.745 -35.620
  753    HB2  PHE  99           HB2      PHE  99 -31.628 -33.581 -35.664
  754    HB3  PHE  99           HB1      PHE  99 -31.366 -35.146 -36.431
  755    HD1  PHE  99           HD1      PHE  99 -33.661 -32.207 -36.352
  756    HD2  PHE  99           HD2      PHE  99 -32.333 -35.658 -38.538
  757    HE1  PHE  99           HE1      PHE  99 -34.976 -31.466 -38.319
  758    HE2  PHE  99           HE2      PHE  99 -33.649 -34.917 -40.507
  759    HZ   PHE  99           HZ       PHE  99 -34.970 -32.820 -40.396
  760    H    GLU 100           HN       GLU 100 -33.127 -37.594 -34.771
  761    HA   GLU 100           HA       GLU 100 -31.998 -37.909 -32.241
  762    HB2  GLU 100           HB2      GLU 100 -33.239 -39.687 -33.387
  763    HB3  GLU 100           HB1      GLU 100 -31.944 -39.834 -34.576
  764    HG2  GLU 100           HG2      GLU 100 -30.374 -40.538 -32.856
  765    HG3  GLU 100           HG1      GLU 100 -31.574 -40.245 -31.600
  766    H    LYS 101           HN       LYS 101 -30.459 -37.161 -35.252
  767    HA   LYS 101           HA       LYS 101 -27.808 -37.532 -33.975
  768    HB2  LYS 101           HB2      LYS 101 -28.489 -38.019 -36.877
  769    HB3  LYS 101           HB1      LYS 101 -26.923 -38.262 -36.107
  770    HG2  LYS 101           HG2      LYS 101 -27.834 -40.013 -34.705
  771    HG3  LYS 101           HG1      LYS 101 -29.461 -39.709 -35.304
  772    HD2  LYS 101           HD2      LYS 101 -28.739 -40.324 -37.576
  773    HD3  LYS 101           HD1      LYS 101 -27.117 -40.658 -36.966
  774    HE2  LYS 101           HE2      LYS 101 -28.368 -42.747 -37.122
  775    HE3  LYS 101           HE1      LYS 101 -28.082 -42.360 -35.425
  776    HZ1  LYS 101           HZ1      LYS 101 -30.259 -41.855 -35.073
  777    HZ2  LYS 101           HZ2      LYS 101 -30.448 -43.035 -36.281
  778    HZ3  LYS 101           HZ3      LYS 101 -30.541 -41.386 -36.677
  779    H    GLY 102           HN       GLY 102 -26.326 -35.941 -34.374
  780    HA2  GLY 102           HA2      GLY 102 -27.232 -33.353 -34.894
  781    HA3  GLY 102           HA1      GLY 102 -25.544 -33.844 -34.945
  782    H    ASP 103           HN       ASP 103 -25.650 -32.117 -36.686
  783    HA   ASP 103           HA       ASP 103 -25.747 -31.469 -38.891
  784    HB2  ASP 103           HB2      ASP 103 -24.620 -32.974 -40.371
  785    HB3  ASP 103           HB1      ASP 103 -23.915 -33.220 -38.773
  786    H    PHE 104           HN       PHE 104 -28.273 -32.469 -37.738
  787    HA   PHE 104           HA       PHE 104 -30.402 -33.024 -38.395
  788    HB2  PHE 104           HB2      PHE 104 -29.543 -32.346 -41.203
  789    HB3  PHE 104           HB1      PHE 104 -31.127 -32.150 -40.455
  790    HD1  PHE 104           HD2      PHE 104 -31.140 -30.670 -38.259
  791    HD2  PHE 104           HD1      PHE 104 -28.156 -30.464 -41.340
  792    HE1  PHE 104           HE2      PHE 104 -30.530 -28.392 -37.509
  793    HE2  PHE 104           HE1      PHE 104 -27.540 -28.186 -40.592
  794    HZ   PHE 104           HZ       PHE 104 -28.723 -27.150 -38.680
  795    H    SER 105           HN       SER 105 -29.978 -35.282 -37.943
  796    HA   SER 105           HA       SER 105 -30.511 -36.930 -40.248
  797    HB2  SER 105           HB2      SER 105 -27.845 -37.048 -38.858
  798    HB3  SER 105           HB1      SER 105 -28.526 -38.488 -39.614
  799    HG   SER 105           HG       SER 105 -27.822 -36.004 -40.776
  800    H    GLY 106           HN       GLY 106 -30.868 -39.187 -39.626
  801    HA2  GLY 106           HA2      GLY 106 -31.481 -40.891 -38.137
  802    HA3  GLY 106           HA1      GLY 106 -31.277 -39.764 -36.804
  803    H    GLN 107           HN       GLN 107 -33.289 -40.592 -35.980
  804    HA   GLN 107           HA       GLN 107 -35.728 -40.412 -37.384
  805    HB2  GLN 107           HB2      GLN 107 -35.441 -41.828 -35.395
  806    HB3  GLN 107           HB1      GLN 107 -35.219 -40.394 -34.398
  807    HG2  GLN 107           HG2      GLN 107 -37.523 -41.256 -34.233
  808    HG3  GLN 107           HG1      GLN 107 -37.496 -39.642 -34.950
  809   HE21  GLN 107          HE21      GLN 107 -39.361 -39.839 -36.255
  810   HE22  GLN 107          HE22      GLN 107 -39.495 -40.946 -37.537
  811    H    MET 108           HN       MET 108 -37.173 -38.821 -37.645
  812    HA   MET 108           HA       MET 108 -36.534 -36.188 -36.458
  813    HB2  MET 108           HB2      MET 108 -36.178 -36.364 -38.938
  814    HB3  MET 108           HB1      MET 108 -37.911 -36.669 -39.095
  815    HG2  MET 108           HG2      MET 108 -38.392 -34.537 -37.960
  816    HG3  MET 108           HG1      MET 108 -36.663 -34.228 -37.798
  817    HE1  MET 108           HE1      MET 108 -39.762 -33.666 -39.824
  818    HE2  MET 108           HE2      MET 108 -39.371 -35.312 -40.312
  819    HE3  MET 108           HE3      MET 108 -39.316 -34.013 -41.501
  820    H    TYR 109           HN       TYR 109 -38.017 -35.462 -35.064
  821    HA   TYR 109           HA       TYR 109 -40.793 -36.478 -35.314
  822    HB2  TYR 109           HB2      TYR 109 -39.130 -35.756 -32.905
  823    HB3  TYR 109           HB1      TYR 109 -40.885 -35.862 -32.835
  824    HD1  TYR 109           HD2      TYR 109 -41.878 -38.082 -34.012
  825    HD2  TYR 109           HD1      TYR 109 -37.929 -37.686 -32.356
  826    HE1  TYR 109           HE2      TYR 109 -41.737 -40.543 -33.756
  827    HE2  TYR 109           HE1      TYR 109 -37.793 -40.145 -32.098
  828    HH   TYR 109           HH       TYR 109 -39.584 -42.256 -33.644
  829    H    GLU 110           HN       GLU 110 -42.347 -35.090 -35.616
  830    HA   GLU 110           HA       GLU 110 -41.834 -32.203 -35.184
  831    HB2  GLU 110           HB2      GLU 110 -43.628 -32.004 -37.054
  832    HB3  GLU 110           HB1      GLU 110 -41.973 -32.392 -37.509
  833    HG2  GLU 110           HG2      GLU 110 -42.525 -34.766 -37.632
  834    HG3  GLU 110           HG1      GLU 110 -44.165 -34.441 -37.067
  835    H    THR 111           HN       THR 111 -43.049 -31.375 -33.633
  836    HA   THR 111           HA       THR 111 -45.853 -32.170 -33.350
  837    HB   THR 111           HB       THR 111 -44.375 -33.681 -31.891
  838    HG1  THR 111           HG1      THR 111 -45.870 -33.516 -30.211
  839   HG21  THR 111          HG21      THR 111 -44.248 -31.248 -30.107
  840   HG22  THR 111          HG22      THR 111 -42.925 -31.668 -31.194
  841   HG23  THR 111          HG23      THR 111 -43.407 -32.784 -29.919
  842    H    THR 112           HN       THR 112 -47.079 -30.437 -32.938
  843    HA   THR 112           HA       THR 112 -45.753 -27.897 -32.245
  844    HB   THR 112           HB       THR 112 -47.120 -27.712 -34.172
  845    HG1  THR 112           HG1      THR 112 -47.650 -26.427 -31.956
  846   HG21  THR 112          HG21      THR 112 -49.163 -29.205 -32.529
  847   HG22  THR 112          HG22      THR 112 -48.444 -29.692 -34.063
  848   HG23  THR 112          HG23      THR 112 -49.588 -28.348 -34.012
  849    H    GLU 113           HN       GLU 113 -45.799 -29.518 -30.100
  850    HA   GLU 113           HA       GLU 113 -47.619 -28.111 -28.286
  851    HB2  GLU 113           HB2      GLU 113 -48.133 -30.370 -27.164
  852    HB3  GLU 113           HB1      GLU 113 -48.993 -29.993 -28.659
  853    HG2  GLU 113           HG2      GLU 113 -47.382 -31.314 -29.946
  854    HG3  GLU 113           HG1      GLU 113 -46.470 -31.662 -28.479
  855    H    ASP 114           HN       ASP 114 -47.124 -29.211 -25.935
  856    HA   ASP 114           HA       ASP 114 -44.252 -28.795 -25.548
  857    HB2  ASP 114           HB2      ASP 114 -44.911 -28.953 -23.104
  858    HB3  ASP 114           HB1      ASP 114 -45.603 -27.599 -23.988
  859    H    CYS 115           HN       CYS 115 -43.057 -30.262 -24.167
  860    HA   CYS 115           HA       CYS 115 -44.078 -33.035 -24.117
  861    HB2  CYS 115           HB2      CYS 115 -41.514 -32.036 -25.337
  862    HB3  CYS 115           HB1      CYS 115 -41.722 -33.713 -24.828
  863    HG   CYS 115           HG       CYS 115 -43.971 -33.590 -26.447
  864    HA   PRO 116           HA       PRO 116 -42.175 -32.405 -20.042
  865    HB2  PRO 116           HB2      PRO 116 -43.007 -34.740 -18.864
  866    HB3  PRO 116           HB1      PRO 116 -44.082 -33.343 -19.092
  867    HG2  PRO 116           HG2      PRO 116 -43.889 -35.854 -20.682
  868    HG3  PRO 116           HG1      PRO 116 -45.322 -34.916 -20.236
  869    HD2  PRO 116           HD2      PRO 116 -44.106 -34.824 -22.718
  870    HD3  PRO 116           HD1      PRO 116 -45.108 -33.519 -22.067
  871    H    SER 117           HN       SER 117 -42.157 -35.826 -21.111
  872    HA   SER 117           HA       SER 117 -39.222 -35.961 -20.649
  873    HB2  SER 117           HB2      SER 117 -41.391 -38.069 -20.635
  874    HB3  SER 117           HB1      SER 117 -39.680 -38.475 -20.689
  875    HG   SER 117           HG       SER 117 -41.220 -37.449 -18.632
  876    H    ILE 118           HN       ILE 118 -38.083 -35.766 -22.551
  877    HA   ILE 118           HA       ILE 118 -39.304 -36.110 -25.099
  878    HB   ILE 118           HB       ILE 118 -37.212 -34.677 -24.232
  879   HG12  ILE 118          HG12      ILE 118 -37.364 -35.786 -27.059
  880   HG13  ILE 118          HG11      ILE 118 -38.365 -34.475 -26.438
  881   HG21  ILE 118          HG21      ILE 118 -35.814 -36.973 -25.591
  882   HG22  ILE 118          HG22      ILE 118 -35.889 -36.797 -23.840
  883   HG23  ILE 118          HG23      ILE 118 -35.087 -35.563 -24.815
  884   HD11  ILE 118          HD11      ILE 118 -36.616 -32.972 -26.373
  885   HD12  ILE 118          HD12      ILE 118 -36.140 -33.947 -27.755
  886   HD13  ILE 118          HD13      ILE 118 -35.379 -34.220 -26.192
  887    H    MET 119           HN       MET 119 -37.225 -38.109 -23.089
  888    HA   MET 119           HA       MET 119 -36.720 -40.069 -25.072
  889    HB2  MET 119           HB2      MET 119 -35.281 -39.731 -23.115
  890    HB3  MET 119           HB1      MET 119 -36.588 -40.272 -22.062
  891    HG2  MET 119           HG2      MET 119 -36.573 -42.470 -23.077
  892    HG3  MET 119           HG1      MET 119 -35.427 -41.938 -24.305
  893    HE1  MET 119           HE1      MET 119 -33.322 -44.404 -22.228
  894    HE2  MET 119           HE2      MET 119 -33.614 -43.786 -23.851
  895    HE3  MET 119           HE3      MET 119 -34.952 -44.450 -22.917
  896    H    GLU 120           HN       GLU 120 -39.473 -39.460 -23.070
  897    HA   GLU 120           HA       GLU 120 -40.393 -42.188 -23.101
  898    HB2  GLU 120           HB2      GLU 120 -40.942 -40.586 -21.295
  899    HB3  GLU 120           HB1      GLU 120 -41.876 -39.638 -22.454
  900    HG2  GLU 120           HG2      GLU 120 -43.449 -41.032 -21.350
  901    HG3  GLU 120           HG1      GLU 120 -43.208 -41.772 -22.922
  902    H    GLN 121           HN       GLN 121 -41.181 -39.211 -24.834
  903    HA   GLN 121           HA       GLN 121 -43.182 -40.594 -26.456
  904    HB2  GLN 121           HB2      GLN 121 -43.431 -38.228 -27.415
  905    HB3  GLN 121           HB1      GLN 121 -43.916 -38.479 -25.738
  906    HG2  GLN 121           HG2      GLN 121 -42.172 -37.256 -24.904
  907    HG3  GLN 121           HG1      GLN 121 -41.052 -37.754 -26.160
  908   HE21  GLN 121          HE21      GLN 121 -44.071 -36.534 -27.351
  909   HE22  GLN 121          HE22      GLN 121 -43.508 -34.984 -27.768
  910    H    PHE 122           HN       PHE 122 -39.935 -39.256 -26.770
  911    HA   PHE 122           HA       PHE 122 -39.958 -40.059 -29.618
  912    HB2  PHE 122           HB2      PHE 122 -38.352 -37.877 -28.283
  913    HB3  PHE 122           HB1      PHE 122 -38.191 -38.361 -29.968
  914    HD1  PHE 122           HD2      PHE 122 -40.876 -38.690 -31.002
  915    HD2  PHE 122           HD1      PHE 122 -39.456 -35.816 -28.125
  916    HE1  PHE 122           HE2      PHE 122 -42.743 -37.193 -31.576
  917    HE2  PHE 122           HE1      PHE 122 -41.334 -34.308 -28.733
  918    HZ   PHE 122           HZ       PHE 122 -42.977 -35.004 -30.452
  919    H    HIS 123           HN       HIS 123 -38.971 -41.189 -26.779
  920    HA   HIS 123           HA       HIS 123 -37.305 -42.655 -26.133
  921    HB2  HIS 123           HB2      HIS 123 -37.342 -43.125 -29.102
  922    HB3  HIS 123           HB1      HIS 123 -36.461 -44.133 -27.953
  923    HD2  HIS 123           HD2      HIS 123 -38.770 -45.869 -29.194
  924    HE1  HIS 123           HE1      HIS 123 -41.245 -44.689 -25.985
  925    HE2  HIS 123           HE2      HIS 123 -40.961 -46.373 -27.866
  926    H    MET 124           HN       MET 124 -36.646 -39.871 -27.646
  927    HA   MET 124           HA       MET 124 -33.903 -40.185 -28.295
  928    HB2  MET 124           HB2      MET 124 -35.678 -37.799 -27.794
  929    HB3  MET 124           HB1      MET 124 -33.956 -37.637 -28.102
  930    HG2  MET 124           HG2      MET 124 -34.179 -38.772 -30.250
  931    HG3  MET 124           HG1      MET 124 -35.886 -39.083 -29.930
  932    HE1  MET 124           HE1      MET 124 -35.184 -38.206 -32.365
  933    HE2  MET 124           HE2      MET 124 -34.108 -36.810 -32.415
  934    HE3  MET 124           HE3      MET 124 -35.809 -36.616 -32.832
  935    H    ARG 125           HN       ARG 125 -32.151 -40.053 -27.058
  936    HA   ARG 125           HA       ARG 125 -32.512 -39.504 -24.179
  937    HB2  ARG 125           HB2      ARG 125 -30.225 -40.740 -24.118
  938    HB3  ARG 125           HB1      ARG 125 -31.685 -41.691 -24.370
  939    HG2  ARG 125           HG2      ARG 125 -31.299 -41.742 -26.767
  940    HG3  ARG 125           HG1      ARG 125 -29.932 -40.641 -26.605
  941    HD2  ARG 125           HD2      ARG 125 -29.109 -42.932 -26.810
  942    HD3  ARG 125           HD1      ARG 125 -28.770 -42.321 -25.193
  943    HE   ARG 125           HE       ARG 125 -31.271 -43.677 -25.225
  944   HH11  ARG 125          HH21      ARG 125 -27.847 -44.175 -25.368
  945   HH12  ARG 125          HH22      ARG 125 -27.907 -45.749 -24.654
  946   HH21  ARG 125          HH11      ARG 125 -31.354 -45.744 -24.283
  947   HH22  ARG 125          HH12      ARG 125 -29.891 -46.639 -24.040
  948    H    GLU 126           HN       GLU 126 -30.873 -38.536 -27.109
  949    HA   GLU 126           HA       GLU 126 -29.765 -36.249 -25.707
  950    HB2  GLU 126           HB2      GLU 126 -27.885 -38.017 -27.297
  951    HB3  GLU 126           HB1      GLU 126 -27.478 -36.558 -26.408
  952    HG2  GLU 126           HG2      GLU 126 -28.178 -37.684 -24.303
  953    HG3  GLU 126           HG1      GLU 126 -28.447 -39.161 -25.221
  954    H    ILE 127           HN       ILE 127 -30.657 -34.727 -26.878
  955    HA   ILE 127           HA       ILE 127 -31.054 -34.943 -29.743
  956    HB   ILE 127           HB       ILE 127 -31.277 -32.433 -28.090
  957   HG12  ILE 127          HG12      ILE 127 -32.676 -34.012 -26.940
  958   HG13  ILE 127          HG11      ILE 127 -33.757 -33.089 -27.976
  959   HG21  ILE 127          HG21      ILE 127 -31.395 -32.077 -30.477
  960   HG22  ILE 127          HG22      ILE 127 -33.009 -31.899 -29.796
  961   HG23  ILE 127          HG23      ILE 127 -32.562 -33.380 -30.649
  962   HD11  ILE 127          HD11      ILE 127 -34.366 -35.362 -28.291
  963   HD12  ILE 127          HD12      ILE 127 -32.677 -35.866 -28.395
  964   HD13  ILE 127          HD13      ILE 127 -33.399 -34.940 -29.704
  965    H    HIS 128           HN       HIS 128 -29.709 -34.474 -31.267
  966    HA   HIS 128           HA       HIS 128 -27.196 -33.075 -30.625
  967    HB2  HIS 128           HB2      HIS 128 -27.954 -34.912 -32.889
  968    HB3  HIS 128           HB1      HIS 128 -26.348 -34.219 -32.640
  969    HD2  HIS 128           HD2      HIS 128 -24.874 -35.452 -30.516
  970    HE1  HIS 128           HE1      HIS 128 -27.795 -38.341 -29.582
  971    HE2  HIS 128           HE2      HIS 128 -25.384 -37.639 -29.190
  972    H    SER 129           HN       SER 129 -29.916 -33.101 -32.875
  973    HA   SER 129           HA       SER 129 -29.313 -30.313 -33.566
  974    HB2  SER 129           HB2      SER 129 -28.168 -31.292 -35.367
  975    HB3  SER 129           HB1      SER 129 -29.350 -32.592 -35.538
  976    HG   SER 129           HG       SER 129 -30.855 -30.998 -36.206
  977    H    CYS 130           HN       CYS 130 -31.077 -29.129 -34.117
  978    HA   CYS 130           HA       CYS 130 -33.672 -30.464 -34.484
  979    HB2  CYS 130           HB2      CYS 130 -33.833 -30.167 -32.174
  980    HB3  CYS 130           HB1      CYS 130 -32.906 -28.668 -32.201
  981    HG   CYS 130           HG       CYS 130 -35.496 -28.287 -33.714
  982    H    LYS 131           HN       LYS 131 -34.921 -29.459 -35.914
  983    HA   LYS 131           HA       LYS 131 -34.072 -26.790 -36.906
  984    HB2  LYS 131           HB2      LYS 131 -35.341 -29.139 -38.325
  985    HB3  LYS 131           HB1      LYS 131 -35.214 -27.525 -39.028
  986    HG2  LYS 131           HG2      LYS 131 -32.797 -27.577 -38.861
  987    HG3  LYS 131           HG1      LYS 131 -32.856 -29.107 -37.983
  988    HD2  LYS 131           HD2      LYS 131 -32.295 -29.450 -40.370
  989    HD3  LYS 131           HD1      LYS 131 -33.820 -30.222 -39.944
  990    HE2  LYS 131           HE2      LYS 131 -35.097 -28.604 -41.071
  991    HE3  LYS 131           HE1      LYS 131 -33.789 -27.418 -41.054
  992    HZ1  LYS 131           HZ1      LYS 131 -32.639 -28.553 -42.710
  993    HZ2  LYS 131           HZ2      LYS 131 -34.257 -28.631 -43.224
  994    HZ3  LYS 131           HZ3      LYS 131 -33.528 -29.982 -42.498
  995    H    VAL 132           HN       VAL 132 -36.105 -25.934 -38.297
  996    HA   VAL 132           HA       VAL 132 -38.105 -24.831 -38.118
  997    HB   VAL 132           HB       VAL 132 -38.981 -27.343 -36.672
  998   HG11  VAL 132          HG11      VAL 132 -41.172 -26.662 -37.853
  999   HG12  VAL 132          HG12      VAL 132 -40.416 -25.089 -38.096
 1000   HG13  VAL 132          HG13      VAL 132 -40.684 -25.696 -36.463
 1001   HG21  VAL 132          HG21      VAL 132 -37.927 -27.913 -38.804
 1002   HG22  VAL 132          HG22      VAL 132 -38.866 -26.673 -39.631
 1003   HG23  VAL 132          HG23      VAL 132 -39.674 -28.088 -38.955
 1004    H    LEU 133           HN       LEU 133 -37.518 -23.155 -36.775
 1005    HA   LEU 133           HA       LEU 133 -38.064 -23.512 -33.879
 1006    HB2  LEU 133           HB2      LEU 133 -36.060 -21.882 -35.395
 1007    HB3  LEU 133           HB1      LEU 133 -36.696 -21.203 -33.895
 1008    HG   LEU 133           HG       LEU 133 -34.600 -22.559 -33.592
 1009   HD11  LEU 133          HD11      LEU 133 -36.974 -22.577 -32.027
 1010   HD12  LEU 133          HD12      LEU 133 -35.334 -22.927 -31.494
 1011   HD13  LEU 133          HD13      LEU 133 -36.381 -24.240 -32.020
 1012   HD21  LEU 133          HD21      LEU 133 -35.456 -24.241 -35.419
 1013   HD22  LEU 133          HD22      LEU 133 -36.282 -25.016 -34.066
 1014   HD23  LEU 133          HD23      LEU 133 -34.525 -24.859 -34.054
 1015    H    GLU 134           HN       GLU 134 -38.896 -21.537 -32.801
 1016    HA   GLU 134           HA       GLU 134 -40.606 -19.862 -34.516
 1017    HB2  GLU 134           HB2      GLU 134 -41.489 -21.925 -32.590
 1018    HB3  GLU 134           HB1      GLU 134 -42.290 -20.366 -32.395
 1019    HG2  GLU 134           HG2      GLU 134 -43.567 -21.703 -33.948
 1020    HG3  GLU 134           HG1      GLU 134 -42.816 -20.397 -34.851
 1021    H    GLY 135           HN       GLY 135 -39.945 -17.882 -34.074
 1022    HA2  GLY 135           HA2      GLY 135 -39.028 -16.091 -32.923
 1023    HA3  GLY 135           HA1      GLY 135 -40.376 -16.424 -31.842
 1024    H    VAL 136           HN       VAL 136 -40.032 -17.652 -29.968
 1025    HA   VAL 136           HA       VAL 136 -37.196 -17.913 -29.127
 1026    HB   VAL 136           HB       VAL 136 -39.523 -17.431 -27.290
 1027   HG11  VAL 136          HG11      VAL 136 -37.803 -16.700 -25.749
 1028   HG12  VAL 136          HG12      VAL 136 -36.572 -16.796 -27.008
 1029   HG13  VAL 136          HG13      VAL 136 -37.318 -18.267 -26.385
 1030   HG21  VAL 136          HG21      VAL 136 -37.871 -15.449 -28.843
 1031   HG22  VAL 136          HG22      VAL 136 -38.667 -15.022 -27.331
 1032   HG23  VAL 136          HG23      VAL 136 -39.628 -15.549 -28.709
 1033    H    TRP 137           HN       TRP 137 -36.741 -19.627 -27.643
 1034    HA   TRP 137           HA       TRP 137 -38.765 -21.745 -27.396
 1035    HB2  TRP 137           HB2      TRP 137 -37.306 -21.999 -29.524
 1036    HB3  TRP 137           HB1      TRP 137 -35.997 -22.400 -28.409
 1037    HD1  TRP 137           HD1      TRP 137 -36.091 -24.665 -27.172
 1038    HE1  TRP 137           HE1      TRP 137 -37.589 -26.755 -27.415
 1039    HE3  TRP 137           HE3      TRP 137 -39.769 -22.742 -30.109
 1040    HZ2  TRP 137           HZ2      TRP 137 -40.048 -27.485 -28.689
 1041    HZ3  TRP 137           HZ3      TRP 137 -41.679 -24.145 -30.829
 1042    HH2  TRP 137           HH2      TRP 137 -41.819 -26.516 -30.117
 1043    H    ILE 138           HN       ILE 138 -37.929 -23.542 -25.961
 1044    HA   ILE 138           HA       ILE 138 -35.829 -22.727 -24.074
 1045    HB   ILE 138           HB       ILE 138 -38.680 -23.324 -23.249
 1046   HG12  ILE 138          HG12      ILE 138 -36.908 -20.910 -22.737
 1047   HG13  ILE 138          HG11      ILE 138 -38.172 -20.988 -23.959
 1048   HG21  ILE 138          HG21      ILE 138 -37.283 -24.483 -21.685
 1049   HG22  ILE 138          HG22      ILE 138 -37.720 -22.969 -20.903
 1050   HG23  ILE 138          HG23      ILE 138 -36.126 -23.152 -21.628
 1051   HD11  ILE 138          HD11      ILE 138 -39.723 -21.675 -21.963
 1052   HD12  ILE 138          HD12      ILE 138 -39.289 -19.978 -22.166
 1053   HD13  ILE 138          HD13      ILE 138 -38.451 -20.961 -20.969
 1054    H    PHE 139           HN       PHE 139 -34.549 -24.388 -23.683
 1055    HA   PHE 139           HA       PHE 139 -35.628 -27.149 -23.896
 1056    HB2  PHE 139           HB2      PHE 139 -33.184 -25.867 -24.929
 1057    HB3  PHE 139           HB1      PHE 139 -32.821 -27.319 -24.000
 1058    HD1  PHE 139           HD1      PHE 139 -35.874 -26.637 -26.076
 1059    HD2  PHE 139           HD2      PHE 139 -32.229 -28.879 -25.684
 1060    HE1  PHE 139           HE1      PHE 139 -36.562 -28.077 -27.959
 1061    HE2  PHE 139           HE2      PHE 139 -32.927 -30.328 -27.570
 1062    HZ   PHE 139           HZ       PHE 139 -35.092 -29.924 -28.710
 1063    H    TYR 140           HN       TYR 140 -35.635 -28.358 -22.168
 1064    HA   TYR 140           HA       TYR 140 -34.327 -27.309 -19.716
 1065    HB2  TYR 140           HB2      TYR 140 -36.811 -28.913 -20.253
 1066    HB3  TYR 140           HB1      TYR 140 -36.034 -29.023 -18.676
 1067    HD1  TYR 140           HD2      TYR 140 -35.487 -26.798 -17.494
 1068    HD2  TYR 140           HD1      TYR 140 -38.282 -27.121 -20.720
 1069    HE1  TYR 140           HE2      TYR 140 -36.533 -24.664 -16.791
 1070    HE2  TYR 140           HE1      TYR 140 -39.333 -24.986 -20.030
 1071    HH   TYR 140           HH       TYR 140 -39.537 -23.633 -17.959
 1072    H    GLU 141           HN       GLU 141 -32.466 -28.259 -19.319
 1073    HA   GLU 141           HA       GLU 141 -31.438 -30.553 -20.386
 1074    HB2  GLU 141           HB2      GLU 141 -30.206 -28.874 -19.005
 1075    HB3  GLU 141           HB1      GLU 141 -30.895 -29.637 -17.572
 1076    HG2  GLU 141           HG2      GLU 141 -29.895 -31.805 -18.293
 1077    HG3  GLU 141           HG1      GLU 141 -29.156 -30.976 -19.658
 1078    H    LEU 142           HN       LEU 142 -33.845 -30.261 -17.935
 1079    HA   LEU 142           HA       LEU 142 -33.783 -33.198 -17.566
 1080    HB2  LEU 142           HB2      LEU 142 -33.767 -31.027 -15.614
 1081    HB3  LEU 142           HB1      LEU 142 -35.117 -32.119 -15.331
 1082    HG   LEU 142           HG       LEU 142 -33.441 -34.025 -15.448
 1083   HD11  LEU 142          HD11      LEU 142 -31.630 -33.044 -16.641
 1084   HD12  LEU 142          HD12      LEU 142 -31.040 -33.231 -14.990
 1085   HD13  LEU 142          HD13      LEU 142 -31.564 -31.648 -15.563
 1086   HD21  LEU 142          HD21      LEU 142 -34.199 -33.306 -13.286
 1087   HD22  LEU 142          HD22      LEU 142 -33.186 -31.862 -13.339
 1088   HD23  LEU 142          HD23      LEU 142 -32.444 -33.456 -13.179
 1089    HA   PRO 143           HA       PRO 143 -37.938 -33.154 -18.917
 1090    HB2  PRO 143           HB2      PRO 143 -39.076 -35.248 -17.613
 1091    HB3  PRO 143           HB1      PRO 143 -37.804 -35.470 -18.832
 1092    HG2  PRO 143           HG2      PRO 143 -37.626 -35.592 -15.866
 1093    HG3  PRO 143           HG1      PRO 143 -36.733 -36.510 -17.089
 1094    HD2  PRO 143           HD2      PRO 143 -35.761 -34.272 -15.691
 1095    HD3  PRO 143           HD1      PRO 143 -35.056 -34.955 -17.167
 1096    H    ASN 144           HN       ASN 144 -40.224 -33.115 -18.289
 1097    HA   ASN 144           HA       ASN 144 -42.008 -32.388 -17.077
 1098    HB2  ASN 144           HB2      ASN 144 -40.297 -31.870 -14.650
 1099    HB3  ASN 144           HB1      ASN 144 -41.987 -32.374 -14.744
 1100   HD21  ASN 144          HD21      ASN 144 -41.343 -34.422 -16.835
 1101   HD22  ASN 144          HD22      ASN 144 -40.575 -35.680 -16.002
 1102    H    TYR 145           HN       TYR 145 -39.635 -30.685 -18.295
 1103    HA   TYR 145           HA       TYR 145 -39.514 -28.464 -18.830
 1104    HB2  TYR 145           HB2      TYR 145 -41.655 -27.719 -16.853
 1105    HB3  TYR 145           HB1      TYR 145 -41.294 -27.037 -18.436
 1106    HD1  TYR 145           HD2      TYR 145 -41.433 -28.870 -20.415
 1107    HD2  TYR 145           HD1      TYR 145 -43.604 -29.019 -16.713
 1108    HE1  TYR 145           HE2      TYR 145 -43.136 -30.303 -21.466
 1109    HE2  TYR 145           HE1      TYR 145 -45.296 -30.491 -17.766
 1110    HH   TYR 145           HH       TYR 145 -45.150 -31.261 -21.232
 1111    H    ARG 146           HN       ARG 146 -38.100 -29.752 -16.571
 1112    HA   ARG 146           HA       ARG 146 -37.424 -27.288 -15.048
 1113    HB2  ARG 146           HB2      ARG 146 -37.790 -30.090 -13.950
 1114    HB3  ARG 146           HB1      ARG 146 -37.116 -28.736 -13.043
 1115    HG2  ARG 146           HG2      ARG 146 -39.230 -27.467 -13.433
 1116    HG3  ARG 146           HG1      ARG 146 -39.897 -28.888 -14.243
 1117    HD2  ARG 146           HD2      ARG 146 -39.611 -30.208 -12.186
 1118    HD3  ARG 146           HD1      ARG 146 -38.923 -28.805 -11.372
 1119    HE   ARG 146           HE       ARG 146 -41.548 -28.324 -12.481
 1120   HH11  ARG 146          HH21      ARG 146 -39.709 -29.522  -9.809
 1121   HH12  ARG 146          HH22      ARG 146 -40.965 -29.251  -8.646
 1122   HH21  ARG 146          HH11      ARG 146 -43.199 -27.960 -10.962
 1123   HH22  ARG 146          HH12      ARG 146 -42.939 -28.366  -9.298
 1124    H    GLY 147           HN       GLY 147 -35.289 -26.846 -15.221
 1125    HA2  GLY 147           HA2      GLY 147 -33.093 -28.283 -14.734
 1126    HA3  GLY 147           HA1      GLY 147 -33.503 -28.857 -16.351
 1127    H    ARG 148           HN       ARG 148 -31.133 -27.688 -16.168
 1128    HA   ARG 148           HA       ARG 148 -30.891 -24.927 -16.338
 1129    HB2  ARG 148           HB2      ARG 148 -29.376 -27.112 -17.773
 1130    HB3  ARG 148           HB1      ARG 148 -28.911 -25.410 -17.835
 1131    HG2  ARG 148           HG2      ARG 148 -28.675 -25.351 -15.405
 1132    HG3  ARG 148           HG1      ARG 148 -29.236 -27.020 -15.287
 1133    HD2  ARG 148           HD2      ARG 148 -27.302 -27.780 -16.597
 1134    HD3  ARG 148           HD1      ARG 148 -26.747 -26.117 -16.765
 1135    HE   ARG 148           HE       ARG 148 -27.036 -26.668 -14.024
 1136   HH11  ARG 148          HH21      ARG 148 -25.156 -27.630 -16.766
 1137   HH12  ARG 148          HH22      ARG 148 -23.749 -28.023 -15.838
 1138   HH21  ARG 148          HH11      ARG 148 -25.195 -27.183 -12.799
 1139   HH22  ARG 148          HH12      ARG 148 -23.771 -27.770 -13.591
 1140    H    GLN 149           HN       GLN 149 -32.021 -23.575 -17.566
 1141    HA   GLN 149           HA       GLN 149 -33.189 -24.417 -20.070
 1142    HB2  GLN 149           HB2      GLN 149 -33.234 -21.820 -18.546
 1143    HB3  GLN 149           HB1      GLN 149 -34.012 -22.023 -20.118
 1144    HG2  GLN 149           HG2      GLN 149 -35.377 -23.850 -19.236
 1145    HG3  GLN 149           HG1      GLN 149 -34.570 -23.728 -17.672
 1146   HE21  GLN 149          HE21      GLN 149 -36.078 -22.816 -16.266
 1147   HE22  GLN 149          HE22      GLN 149 -37.004 -21.431 -16.610
 1148    H    TYR 150           HN       TYR 150 -32.782 -23.536 -22.098
 1149    HA   TYR 150           HA       TYR 150 -30.184 -22.120 -22.407
 1150    HB2  TYR 150           HB2      TYR 150 -31.404 -24.250 -24.183
 1151    HB3  TYR 150           HB1      TYR 150 -29.961 -23.310 -24.579
 1152    HD1  TYR 150           HD2      TYR 150 -27.949 -23.432 -23.073
 1153    HD2  TYR 150           HD1      TYR 150 -31.292 -26.098 -22.677
 1154    HE1  TYR 150           HE2      TYR 150 -26.555 -24.983 -21.730
 1155    HE2  TYR 150           HE1      TYR 150 -29.899 -27.647 -21.331
 1156    HH   TYR 150           HH       TYR 150 -27.941 -27.943 -20.323
 1157    H    LEU 151           HN       LEU 151 -30.056 -20.595 -24.141
 1158    HA   LEU 151           HA       LEU 151 -32.694 -19.570 -25.007
 1159    HB2  LEU 151           HB2      LEU 151 -31.063 -18.166 -23.516
 1160    HB3  LEU 151           HB1      LEU 151 -30.135 -17.975 -25.005
 1161    HG   LEU 151           HG       LEU 151 -32.512 -17.310 -26.025
 1162   HD11  LEU 151          HD11      LEU 151 -33.881 -16.087 -24.366
 1163   HD12  LEU 151          HD12      LEU 151 -32.804 -16.627 -23.080
 1164   HD13  LEU 151          HD13      LEU 151 -33.780 -17.800 -23.963
 1165   HD21  LEU 151          HD21      LEU 151 -30.874 -15.484 -24.241
 1166   HD22  LEU 151          HD22      LEU 151 -32.029 -14.935 -25.453
 1167   HD23  LEU 151          HD23      LEU 151 -30.576 -15.803 -25.948
 1168    H    LEU 152           HN       LEU 152 -32.851 -18.729 -27.133
 1169    HA   LEU 152           HA       LEU 152 -31.627 -20.349 -29.123
 1170    HB2  LEU 152           HB2      LEU 152 -33.846 -19.410 -29.451
 1171    HB3  LEU 152           HB1      LEU 152 -33.205 -17.770 -29.354
 1172    HG   LEU 152           HG       LEU 152 -31.879 -19.507 -31.392
 1173   HD11  LEU 152          HD11      LEU 152 -33.685 -19.326 -33.022
 1174   HD12  LEU 152          HD12      LEU 152 -34.716 -18.528 -31.833
 1175   HD13  LEU 152          HD13      LEU 152 -34.256 -20.217 -31.610
 1176   HD21  LEU 152          HD21      LEU 152 -33.148 -16.804 -31.850
 1177   HD22  LEU 152          HD22      LEU 152 -31.717 -17.503 -32.603
 1178   HD23  LEU 152          HD23      LEU 152 -31.646 -16.930 -30.935
 1179    H    ASP 153           HN       ASP 153 -29.847 -20.049 -30.322
 1180    HA   ASP 153           HA       ASP 153 -28.375 -17.479 -30.050
 1181    HB2  ASP 153           HB2      ASP 153 -27.275 -19.331 -28.831
 1182    HB3  ASP 153           HB1      ASP 153 -27.214 -20.262 -30.327
 1183    H    LYS 154           HN       LYS 154 -26.846 -19.743 -32.001
 1184    HA   LYS 154           HA       LYS 154 -27.121 -18.184 -34.352
 1185    HB2  LYS 154           HB2      LYS 154 -26.098 -21.002 -33.941
 1186    HB3  LYS 154           HB1      LYS 154 -25.966 -20.109 -35.454
 1187    HG2  LYS 154           HG2      LYS 154 -24.660 -18.359 -34.342
 1188    HG3  LYS 154           HG1      LYS 154 -24.858 -19.174 -32.792
 1189    HD2  LYS 154           HD2      LYS 154 -22.739 -19.915 -33.449
 1190    HD3  LYS 154           HD1      LYS 154 -23.768 -21.227 -34.023
 1191    HE2  LYS 154           HE2      LYS 154 -22.147 -20.540 -35.756
 1192    HE3  LYS 154           HE1      LYS 154 -23.798 -20.212 -36.278
 1193    HZ1  LYS 154           HZ1      LYS 154 -21.725 -18.413 -36.130
 1194    HZ2  LYS 154           HZ2      LYS 154 -22.733 -18.022 -34.820
 1195    HZ3  LYS 154           HZ3      LYS 154 -23.362 -18.056 -36.398
 1196    H    LYS 155           HN       LYS 155 -28.117 -18.736 -36.334
 1197    HA   LYS 155           HA       LYS 155 -30.766 -19.676 -36.111
 1198    HB2  LYS 155           HB2      LYS 155 -29.917 -18.107 -37.872
 1199    HB3  LYS 155           HB1      LYS 155 -29.105 -19.477 -38.632
 1200    HG2  LYS 155           HG2      LYS 155 -31.235 -20.633 -38.926
 1201    HG3  LYS 155           HG1      LYS 155 -32.086 -19.341 -38.082
 1202    HD2  LYS 155           HD2      LYS 155 -30.411 -18.625 -40.480
 1203    HD3  LYS 155           HD1      LYS 155 -31.979 -19.383 -40.743
 1204    HE2  LYS 155           HE2      LYS 155 -31.708 -17.005 -38.909
 1205    HE3  LYS 155           HE1      LYS 155 -31.893 -16.797 -40.652
 1206    HZ1  LYS 155           HZ1      LYS 155 -34.020 -17.438 -40.588
 1207    HZ2  LYS 155           HZ2      LYS 155 -33.933 -17.066 -38.933
 1208    HZ3  LYS 155           HZ3      LYS 155 -33.738 -18.671 -39.458
 1209    H    GLU 156           HN       GLU 156 -31.597 -21.647 -36.188
 1210    HA   GLU 156           HA       GLU 156 -31.821 -23.918 -36.445
 1211    HB2  GLU 156           HB2      GLU 156 -31.051 -23.258 -38.818
 1212    HB3  GLU 156           HB1      GLU 156 -29.464 -23.853 -38.331
 1213    HG2  GLU 156           HG2      GLU 156 -30.492 -26.036 -37.731
 1214    HG3  GLU 156           HG1      GLU 156 -32.049 -25.436 -38.297
 1215    H    TYR 157           HN       TYR 157 -30.779 -25.960 -35.853
 1216    HA   TYR 157           HA       TYR 157 -28.235 -25.600 -34.378
 1217    HB2  TYR 157           HB2      TYR 157 -30.450 -27.400 -33.450
 1218    HB3  TYR 157           HB1      TYR 157 -29.050 -26.817 -32.547
 1219    HD1  TYR 157           HD2      TYR 157 -28.924 -23.985 -32.864
 1220    HD2  TYR 157           HD1      TYR 157 -32.432 -26.456 -32.672
 1221    HE1  TYR 157           HE2      TYR 157 -30.242 -22.052 -32.068
 1222    HE2  TYR 157           HE1      TYR 157 -33.744 -24.530 -31.882
 1223    HH   TYR 157           HH       TYR 157 -32.222 -21.337 -31.383
 1224    H    ARG 158           HN       ARG 158 -26.741 -26.720 -35.402
 1225    HA   ARG 158           HA       ARG 158 -27.440 -29.366 -36.542
 1226    HB2  ARG 158           HB2      ARG 158 -25.520 -29.110 -37.988
 1227    HB3  ARG 158           HB1      ARG 158 -26.529 -27.672 -38.124
 1228    HG2  ARG 158           HG2      ARG 158 -25.047 -26.577 -36.392
 1229    HG3  ARG 158           HG1      ARG 158 -23.973 -27.971 -36.534
 1230    HD2  ARG 158           HD2      ARG 158 -23.184 -26.189 -38.003
 1231    HD3  ARG 158           HD1      ARG 158 -23.772 -27.543 -38.968
 1232    HE   ARG 158           HE       ARG 158 -25.551 -26.210 -39.696
 1233   HH11  ARG 158          HH21      ARG 158 -23.792 -24.716 -37.115
 1234   HH12  ARG 158          HH22      ARG 158 -24.562 -23.176 -37.299
 1235   HH21  ARG 158          HH11      ARG 158 -26.566 -24.196 -39.939
 1236   HH22  ARG 158          HH12      ARG 158 -26.132 -22.881 -38.898
 1237    H    LYS 159           HN       LYS 159 -25.564 -27.737 -34.143
 1238    HA   LYS 159           HA       LYS 159 -24.237 -30.304 -33.458
 1239    HB2  LYS 159           HB2      LYS 159 -22.497 -28.669 -32.345
 1240    HB3  LYS 159           HB1      LYS 159 -22.411 -28.990 -34.077
 1241    HG2  LYS 159           HG2      LYS 159 -23.718 -26.907 -34.495
 1242    HG3  LYS 159           HG1      LYS 159 -23.736 -26.618 -32.764
 1243    HD2  LYS 159           HD2      LYS 159 -21.281 -26.533 -32.742
 1244    HD3  LYS 159           HD1      LYS 159 -21.268 -26.767 -34.492
 1245    HE2  LYS 159           HE2      LYS 159 -22.567 -24.695 -34.784
 1246    HE3  LYS 159           HE1      LYS 159 -22.601 -24.464 -33.037
 1247    HZ1  LYS 159           HZ1      LYS 159 -20.776 -23.353 -34.550
 1248    HZ2  LYS 159           HZ2      LYS 159 -19.994 -24.841 -34.300
 1249    HZ3  LYS 159           HZ3      LYS 159 -20.430 -23.872 -32.973
 1250    HA   PRO 160           HA       PRO 160 -26.149 -30.098 -29.516
 1251    HB2  PRO 160           HB2      PRO 160 -24.013 -30.769 -27.832
 1252    HB3  PRO 160           HB1      PRO 160 -25.038 -31.902 -28.711
 1253    HG2  PRO 160           HG2      PRO 160 -22.350 -30.879 -29.421
 1254    HG3  PRO 160           HG1      PRO 160 -23.025 -32.507 -29.627
 1255    HD2  PRO 160           HD2      PRO 160 -22.805 -30.811 -31.698
 1256    HD3  PRO 160           HD1      PRO 160 -24.173 -31.924 -31.568
 1257    H    ILE 161           HN       ILE 161 -23.330 -28.155 -30.102
 1258    HA   ILE 161           HA       ILE 161 -23.765 -26.590 -27.658
 1259    HB   ILE 161           HB       ILE 161 -21.638 -26.301 -29.791
 1260   HG12  ILE 161          HG12      ILE 161 -20.418 -27.426 -27.562
 1261   HG13  ILE 161          HG11      ILE 161 -21.966 -28.262 -27.571
 1262   HG21  ILE 161          HG21      ILE 161 -20.457 -25.237 -27.753
 1263   HG22  ILE 161          HG22      ILE 161 -22.061 -25.156 -27.026
 1264   HG23  ILE 161          HG23      ILE 161 -21.730 -24.305 -28.534
 1265   HD11  ILE 161          HD11      ILE 161 -19.897 -28.168 -29.787
 1266   HD12  ILE 161          HD12      ILE 161 -21.540 -28.759 -30.043
 1267   HD13  ILE 161          HD13      ILE 161 -20.473 -29.582 -28.906
 1268    H    ASP 162           HN       ASP 162 -24.829 -26.661 -30.818
 1269    HA   ASP 162           HA       ASP 162 -24.669 -24.036 -31.678
 1270    HB2  ASP 162           HB2      ASP 162 -25.832 -26.241 -32.756
 1271    HB3  ASP 162           HB1      ASP 162 -27.263 -25.401 -32.216
 1272    H    TRP 163           HN       TRP 163 -26.830 -25.498 -29.323
 1273    HA   TRP 163           HA       TRP 163 -28.271 -22.936 -29.028
 1274    HB2  TRP 163           HB2      TRP 163 -29.718 -24.410 -27.467
 1275    HB3  TRP 163           HB1      TRP 163 -29.840 -24.655 -29.208
 1276    HD1  TRP 163           HD1      TRP 163 -27.540 -26.005 -26.423
 1277    HE1  TRP 163           HE1      TRP 163 -27.308 -28.563 -26.752
 1278    HE3  TRP 163           HE3      TRP 163 -30.368 -26.656 -30.621
 1279    HZ2  TRP 163           HZ2      TRP 163 -28.162 -30.574 -28.518
 1280    HZ3  TRP 163           HZ3      TRP 163 -30.623 -28.916 -31.622
 1281    HH2  TRP 163           HH2      TRP 163 -29.500 -30.864 -30.568
 1282    H    GLY 164           HN       GLY 164 -25.461 -23.602 -28.049
 1283    HA2  GLY 164           HA2      GLY 164 -24.225 -22.829 -26.275
 1284    HA3  GLY 164           HA1      GLY 164 -25.713 -22.197 -25.595
 1285    H    ALA 165           HN       ALA 165 -25.359 -25.648 -26.308
 1286    HA   ALA 165           HA       ALA 165 -25.353 -26.151 -23.370
 1287    HB1  ALA 165           HB1      ALA 165 -26.242 -28.381 -23.914
 1288    HB2  ALA 165           HB2      ALA 165 -26.283 -27.921 -25.613
 1289    HB3  ALA 165           HB3      ALA 165 -27.314 -27.087 -24.449
 1290    H    ALA 166           HN       ALA 166 -23.833 -27.370 -22.452
 1291    HA   ALA 166           HA       ALA 166 -21.426 -27.853 -23.957
 1292    HB1  ALA 166           HB1      ALA 166 -20.517 -28.616 -21.826
 1293    HB2  ALA 166           HB2      ALA 166 -22.130 -28.611 -21.113
 1294    HB3  ALA 166           HB3      ALA 166 -21.379 -27.093 -21.605
 1295    H    SER 167           HN       SER 167 -23.980 -29.359 -24.592
 1296    HA   SER 167           HA       SER 167 -22.963 -31.735 -25.444
 1297    HB2  SER 167           HB2      SER 167 -23.574 -31.796 -22.543
 1298    HB3  SER 167           HB1      SER 167 -24.137 -33.186 -23.467
 1299    HG   SER 167           HG       SER 167 -22.132 -33.810 -23.329
 1300    HA   PRO 168           HA       PRO 168 -27.142 -32.020 -26.962
 1301    HB2  PRO 168           HB2      PRO 168 -27.269 -34.663 -27.690
 1302    HB3  PRO 168           HB1      PRO 168 -26.358 -33.461 -28.605
 1303    HG2  PRO 168           HG2      PRO 168 -25.376 -35.452 -26.630
 1304    HG3  PRO 168           HG1      PRO 168 -24.648 -34.938 -28.160
 1305    HD2  PRO 168           HD2      PRO 168 -23.787 -34.014 -25.731
 1306    HD3  PRO 168           HD1      PRO 168 -23.678 -33.051 -27.214
 1307    H    ALA 169           HN       ALA 169 -26.032 -33.942 -24.350
 1308    HA   ALA 169           HA       ALA 169 -28.268 -35.458 -23.654
 1309    HB1  ALA 169           HB1      ALA 169 -26.048 -35.761 -22.630
 1310    HB2  ALA 169           HB2      ALA 169 -27.290 -35.543 -21.399
 1311    HB3  ALA 169           HB3      ALA 169 -26.213 -34.210 -21.808
 1312    H    VAL 170           HN       VAL 170 -29.924 -33.756 -24.275
 1313    HA   VAL 170           HA       VAL 170 -30.527 -31.925 -22.024
 1314    HB   VAL 170           HB       VAL 170 -30.364 -31.098 -24.445
 1315   HG11  VAL 170          HG11      VAL 170 -31.812 -33.255 -25.089
 1316   HG12  VAL 170          HG12      VAL 170 -31.876 -31.774 -26.038
 1317   HG13  VAL 170          HG13      VAL 170 -33.147 -32.119 -24.877
 1318   HG21  VAL 170          HG21      VAL 170 -32.355 -30.472 -22.395
 1319   HG22  VAL 170          HG22      VAL 170 -33.013 -30.158 -23.990
 1320   HG23  VAL 170          HG23      VAL 170 -31.516 -29.377 -23.487
 1321    H    GLN 171           HN       GLN 171 -33.334 -31.832 -22.966
 1322    HA   GLN 171           HA       GLN 171 -34.324 -34.495 -22.564
 1323    HB2  GLN 171           HB2      GLN 171 -33.769 -33.236 -20.275
 1324    HB3  GLN 171           HB1      GLN 171 -35.372 -32.553 -20.544
 1325    HG2  GLN 171           HG2      GLN 171 -35.773 -34.529 -19.327
 1326    HG3  GLN 171           HG1      GLN 171 -36.124 -34.994 -20.985
 1327   HE21  GLN 171          HE21      GLN 171 -34.367 -36.229 -22.139
 1328   HE22  GLN 171          HE22      GLN 171 -33.259 -37.144 -21.230
 1329    H    SER 172           HN       SER 172 -36.780 -32.751 -21.476
 1330    HA   SER 172           HA       SER 172 -37.940 -32.569 -24.159
 1331    HB2  SER 172           HB2      SER 172 -39.940 -32.968 -23.138
 1332    HB3  SER 172           HB1      SER 172 -38.843 -33.738 -22.000
 1333    HG   SER 172           HG       SER 172 -38.842 -31.815 -20.791
 1334    H    PHE 173           HN       PHE 173 -40.069 -30.820 -23.307
 1335    HA   PHE 173           HA       PHE 173 -38.994 -28.313 -22.552
 1336    HB2  PHE 173           HB2      PHE 173 -39.076 -27.179 -24.738
 1337    HB3  PHE 173           HB1      PHE 173 -37.854 -28.455 -24.697
 1338    HD1  PHE 173           HD1      PHE 173 -41.328 -27.675 -25.770
 1339    HD2  PHE 173           HD2      PHE 173 -37.991 -30.356 -26.104
 1340    HE1  PHE 173           HE1      PHE 173 -42.442 -28.827 -27.657
 1341    HE2  PHE 173           HE2      PHE 173 -39.102 -31.508 -27.994
 1342    HZ   PHE 173           HZ       PHE 173 -41.330 -30.746 -28.772
 1343    H    ARG 174           HN       ARG 174 -40.541 -26.490 -23.515
 1344    HA   ARG 174           HA       ARG 174 -43.261 -27.382 -23.864
 1345    HB2  ARG 174           HB2      ARG 174 -44.053 -26.031 -21.859
 1346    HB3  ARG 174           HB1      ARG 174 -43.303 -27.587 -21.517
 1347    HG2  ARG 174           HG2      ARG 174 -41.311 -26.614 -20.736
 1348    HG3  ARG 174           HG1      ARG 174 -41.606 -25.092 -21.572
 1349    HD2  ARG 174           HD2      ARG 174 -43.272 -26.110 -19.251
 1350    HD3  ARG 174           HD1      ARG 174 -41.963 -24.936 -19.108
 1351    HE   ARG 174           HE       ARG 174 -43.579 -23.859 -21.022
 1352   HH11  ARG 174          HH21      ARG 174 -44.028 -25.084 -17.821
 1353   HH12  ARG 174          HH22      ARG 174 -45.335 -24.011 -17.442
 1354   HH21  ARG 174          HH11      ARG 174 -45.286 -22.447 -20.539
 1355   HH22  ARG 174          HH12      ARG 174 -46.047 -22.516 -18.985
 1356    H    ARG 175           HN       ARG 175 -44.364 -25.938 -25.043
 1357    HA   ARG 175           HA       ARG 175 -43.178 -23.740 -26.218
 1358    HB2  ARG 175           HB2      ARG 175 -45.400 -23.120 -26.951
 1359    HB3  ARG 175           HB1      ARG 175 -45.292 -24.879 -26.964
 1360    HG2  ARG 175           HG2      ARG 175 -46.246 -24.725 -24.541
 1361    HG3  ARG 175           HG1      ARG 175 -46.730 -23.099 -25.015
 1362    HD2  ARG 175           HD2      ARG 175 -47.469 -25.642 -26.477
 1363    HD3  ARG 175           HD1      ARG 175 -48.539 -24.727 -25.421
 1364    HE   ARG 175           HE       ARG 175 -47.789 -24.056 -28.137
 1365   HH11  ARG 175          HH21      ARG 175 -48.965 -22.948 -25.078
 1366   HH12  ARG 175          HH22      ARG 175 -49.763 -21.556 -25.731
 1367   HH21  ARG 175          HH11      ARG 175 -48.835 -22.237 -29.004
 1368   HH22  ARG 175          HH12      ARG 175 -49.689 -21.154 -27.956
 1369    H    ILE 176           HN       ILE 176 -42.655 -21.843 -25.557
 1370    HA   ILE 176           HA       ILE 176 -42.878 -20.926 -22.925
 1371    HB   ILE 176           HB       ILE 176 -42.629 -19.108 -25.328
 1372   HG12  ILE 176          HG12      ILE 176 -40.547 -20.827 -23.955
 1373   HG13  ILE 176          HG11      ILE 176 -41.022 -20.881 -25.653
 1374   HG21  ILE 176          HG21      ILE 176 -42.919 -18.210 -22.929
 1375   HG22  ILE 176          HG22      ILE 176 -41.524 -17.630 -23.835
 1376   HG23  ILE 176          HG23      ILE 176 -41.322 -18.882 -22.611
 1377   HD11  ILE 176          HD11      ILE 176 -39.217 -18.985 -24.270
 1378   HD12  ILE 176          HD12      ILE 176 -40.339 -18.244 -25.399
 1379   HD13  ILE 176          HD13      ILE 176 -39.234 -19.500 -25.954
 1380    H    VAL 177           HN       VAL 177 -44.450 -19.971 -21.803
 1381    HA   VAL 177           HA       VAL 177 -46.740 -18.773 -23.258
 1382    HB   VAL 177           HB       VAL 177 -46.816 -20.702 -20.930
 1383   HG11  VAL 177          HG11      VAL 177 -48.912 -18.798 -21.995
 1384   HG12  VAL 177          HG12      VAL 177 -48.383 -19.015 -20.326
 1385   HG13  VAL 177          HG13      VAL 177 -49.344 -20.266 -21.115
 1386   HG21  VAL 177          HG21      VAL 177 -48.405 -20.807 -23.497
 1387   HG22  VAL 177          HG22      VAL 177 -47.987 -22.122 -22.396
 1388   HG23  VAL 177          HG23      VAL 177 -46.750 -21.419 -23.437
 1389    H    GLU 178           HN       GLU 178 -47.395 -16.856 -22.516
 1390    HA   GLU 178           HA       GLU 178 -46.811 -15.986 -19.809
 1391    HB2  GLU 178           HB2      GLU 178 -44.732 -15.480 -21.151
 1392    HB3  GLU 178           HB1      GLU 178 -45.712 -14.401 -22.143
 1393    HG2  GLU 178           HG2      GLU 178 -45.592 -14.141 -19.134
 1394    HG3  GLU 178           HG1      GLU 178 -44.443 -13.325 -20.192