*HEADER    MEMBRANE PROTEIN                        10-JUN-09   2KJX              
*TITLE     SOLUTION STRUCTURE OF THE EXTRACELLULAR DOMAIN OF JTB                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: JUMPING TRANSLOCATION BREAKPOINT PROTEIN;                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: EXTRACELLULAR DOMAIN (UNP RESIDUES 47-104);                
*COMPND   5 SYNONYM: PROTEIN JTB, PROSTATE ANDROGEN-REGULATED PROTEIN, PAR       
*COMPND   6 PROTEIN;                                                             
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: JTB;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET32A                                    
*KEYWDS    CYSTEINE-RICH DOMAIN, MEMBRANE, TRANSMEMBRANE, MEMBRANE PROTEIN       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    F.ROUSSEAU, A.LINGEL, B.PAN, W.J.FAIRBROTHER, F.BAZAN                 
*REVDAT   1   11-AUG-10 2KJX    0                                                


 ASSI {    1}   (  segid    A and resid 15   and name  HD# )   (( segid    A and resid 15   and name  HA  ))      4.847     3.127     0.969 peak     1 weight  1.00000E+00 volume  5.66888E+06 ppm1      7.211 ppm2      5.595
 ASSI {    2}   (  segid    A and resid 15   and name  HD# )   (( segid    A and resid 16   and name  HN  ))      4.497     2.777     0.899 peak     2 weight  1.00000E+00 volume  4.95444E+06 ppm1      7.210 ppm2      8.466
 ASSI {    3}   (  segid    A and resid 15   and name  HD# )   (( segid    A and resid 15   and name  HN  ))      4.022     2.302     0.804 peak     3 weight  1.00000E+00 volume  1.14911E+07 ppm1      7.207 ppm2      8.121
 ASSI {    4}   (  segid    A and resid 15   and name  HD# )   (  segid    A and resid 15   and name  HE# )      3.619     1.899     0.724 peak     4 weight  1.00000E+00 volume  1.12390E+08 ppm1      7.206 ppm2      7.411
 ASSI {    5}   (  segid    A and resid 15   and name  HD# )   (( segid    A and resid 10   and name  HA  ))      4.396     2.676     0.879 peak     5 weight  1.00000E+00 volume  1.56296E+07 ppm1      7.207 ppm2      4.507
 ASSI {    6}   (  segid    A and resid 15   and name  HD# )   (  segid    A and resid 15   and name  HB# )      4.116     2.396     0.823 peak     6 weight  1.00000E+00 volume  5.19686E+07 ppm1      7.203 ppm2      2.909
 ASSI {    7}   (  segid    A and resid 15   and name  HD# )   (( segid    A and resid 10   and name  HB1 ))      4.665     2.945     0.933 peak     7 weight  1.00000E+00 volume  5.23233E+06 ppm1      7.208 ppm2      2.186
 ASSI {    8}   (  segid    A and resid 15   and name  HD# )   (( segid    A and resid 44   and name  HB  ))      4.310     2.590     0.862 peak     8 weight  1.00000E+00 volume  1.96954E+07 ppm1      7.209 ppm2      1.927
 ASSI {    9}   (  segid    A and resid 15   and name  HD# )   (  segid    A and resid 17   and name  HG2#)      5.075     3.355     1.015 peak     9 weight  1.00000E+00 volume  1.04770E+07 ppm1      7.208 ppm2      0.968
 ASSI {   10}   (  segid    A and resid 15   and name  HD# )   (  segid    A and resid 44   and name  HG2#)      4.844     3.124     0.969 peak    10 weight  1.00000E+00 volume  2.93421E+07 ppm1      7.203 ppm2      0.671
 ASSI {   11}   (  segid    A and resid 40   and name  HD# )   (( segid    A and resid 22   and name  HA  ))      4.538     2.818     0.908 peak    11 weight  1.00000E+00 volume  6.92572E+06 ppm1      6.956 ppm2      5.143
 ASSI {   12}   (  segid    A and resid 40   and name  HD# )   (( segid    A and resid 40   and name  HB1 ))      4.407     2.687     0.881 peak    12 weight  1.00000E+00 volume  9.48873E+06 ppm1      6.955 ppm2      2.911
 ASSI {   13}   (  segid    A and resid 40   and name  HD# )   (( segid    A and resid 40   and name  HB2 ))      4.208     2.488     0.842 peak    13 weight  1.00000E+00 volume  1.05455E+07 ppm1      6.954 ppm2      2.700
 ASSI {   15}   (  segid    A and resid 54   and name  HD# )   (( segid    A and resid 54   and name  HN  ))      4.263     2.543     0.853 peak    15 weight  1.00000E+00 volume  7.79201E+06 ppm1      7.176 ppm2      8.869
 ASSI {   17}   (  segid    A and resid 54   and name  HD# )   (( segid    A and resid 43   and name  HA  ))      4.834     3.114     0.967 peak    17 weight  1.00000E+00 volume  6.23468E+06 ppm1      7.176 ppm2      4.816
 ASSI {   18}   (  segid    A and resid 54   and name  HD# )   (  segid    A and resid 41   and name  HG2#)      4.920     3.200     0.984 peak    18 weight  1.00000E+00 volume  1.98963E+07 ppm1      7.174 ppm2      0.711
 ASSI {   19}   (  segid    A and resid 7    and name  HD# )   (( segid    A and resid 7    and name  HB1 ))      4.189     2.469     0.838 peak    19 weight  1.00000E+00 volume  9.55528E+06 ppm1      7.145 ppm2      2.928
 ASSI {   20}   (  segid    A and resid 7    and name  HD# )   (  segid    A and resid 11   and name  HD1#)      5.745     4.025     1.149 peak    20 weight  1.00000E+00 volume  7.78728E+06 ppm1      7.142 ppm2      0.588
 ASSI {   22}   (  segid    A and resid 7    and name  HE# )   (  segid    A and resid 7    and name  HD# )      3.471     1.751     0.694 peak    22 weight  1.00000E+00 volume  2.19283E+07 ppm1      7.269 ppm2      7.111
 ASSI {   23}   (  segid    A and resid 54   and name  HD# )   (  segid    A and resid 54   and name  HE# )      3.342     1.622     0.668 peak    23 weight  1.00000E+00 volume  1.81285E+08 ppm1      7.172 ppm2      7.323
 ASSI {   24}   (  segid    A and resid 54   and name  HD# )   (( segid    A and resid 54   and name  HA  ))      4.410     2.690     0.882 peak    24 weight  1.00000E+00 volume  1.40804E+07 ppm1      7.175 ppm2      5.405
 ASSI {   25}   (  segid    A and resid 54   and name  HD# )   (  segid    A and resid 54   and name  HB# )      4.520     2.800     0.904 peak    25 weight  1.00000E+00 volume  2.96340E+07 ppm1      7.173 ppm2      2.694
 ASSI {   26}   (  segid    A and resid 54   and name  HD# )   (( segid    A and resid 41   and name  HB  ))      5.088     3.368     1.018 peak    26 weight  1.00000E+00 volume  6.05232E+06 ppm1      7.172 ppm2      2.052
 ASSI {   29}   (  segid    A and resid 15   and name  HE# )   (  segid    A and resid 15   and name  HB# )      5.485     3.765     1.097 peak    29 weight  1.00000E+00 volume  9.27243E+06 ppm1      7.400 ppm2      2.904
 ASSI {   30}   (  segid    A and resid 15   and name  HE# )   (  segid    A and resid 17   and name  HG2#)      5.108     3.388     1.022 peak    30 weight  1.00000E+00 volume  1.05465E+07 ppm1      7.402 ppm2      1.003
 ASSI {   31}   (  segid    A and resid 15   and name  HE# )   (  segid    A and resid 44   and name  HG2#)      5.574     3.854     1.115 peak    31 weight  1.00000E+00 volume  8.63025E+06 ppm1      7.402 ppm2      0.673
 ASSI {   32}   (( segid    A and resid 10   and name  HD1 ))   (( segid    A and resid 10   and name  HB2 ))      4.550     2.830     0.910 peak    32 weight  1.00000E+00 volume  7.11852E+06 ppm1      6.827 ppm2      2.908
 ASSI {   33}   (( segid    A and resid 10   and name  HD1 ))   (  segid    A and resid 53   and name  HG# )      4.870     3.150     0.974 peak    33 weight  1.00000E+00 volume  9.46640E+06 ppm1      6.827 ppm2      2.371
 ASSI {   34}   (( segid    A and resid 10   and name  HD1 ))   (( segid    A and resid 10   and name  HB1 ))      4.358     2.638     0.872 peak    34 weight  1.00000E+00 volume  9.21809E+06 ppm1      6.825 ppm2      2.177
 ASSI {   35}   (( segid    A and resid 10   and name  HD1 ))   (  segid    A and resid 44   and name  HD1#)      4.466     2.746     0.893 peak    35 weight  1.00000E+00 volume  2.38578E+07 ppm1      6.827 ppm2      0.628
 ASSI {   36}   (( segid    A and resid 10   and name  HD1 ))   (( segid    A and resid 53   and name  HB1 ))      4.489     2.769     0.898 peak    36 weight  1.00000E+00 volume  7.71746E+06 ppm1      6.825 ppm2      1.651
 ASSI {   37}   (( segid    A and resid 10   and name  HH2 ))   (( segid    A and resid 10   and name  HZ2 ))      3.499     1.779     0.700 peak    37 weight  1.00000E+00 volume  3.44261E+07 ppm1      7.292 ppm2      7.567
 ASSI {   38}   (( segid    A and resid 10   and name  HH2 ))   (( segid    A and resid 10   and name  HZ3 ))      2.991     1.271     0.598 peak    38 weight  1.00000E+00 volume  6.99173E+07 ppm1      7.291 ppm2      7.092
 ASSI {   39}   (( segid    A and resid 10   and name  HH2 ))   (  segid    A and resid 11   and name  HD1#)      5.182     3.462     1.036 peak    39 weight  1.00000E+00 volume  7.61197E+06 ppm1      7.293 ppm2      0.613
 ASSI {   41}   (( segid    A and resid 10   and name  HZ3 ))   (( segid    A and resid 55   and name  HE2 ))      4.837     3.117     0.967 peak    41 weight  1.00000E+00 volume  4.93189E+06 ppm1      7.092 ppm2      1.629
 ASSI {   42}   (( segid    A and resid 10   and name  HZ3 ))   (  segid    A and resid 11   and name  HD2#)      4.663     2.943     0.933 peak    42 weight  1.00000E+00 volume  1.84347E+07 ppm1      7.092 ppm2      0.625
 ASSI {   44}   (( segid    A and resid 10   and name  HE3 ))   (  segid    A and resid 11   and name  HB# )      5.231     3.511     1.046 peak    44 weight  1.00000E+00 volume  2.17550E+06 ppm1      7.238 ppm2      1.371
 ASSI {   45}   (( segid    A and resid 10   and name  HE3 ))   (( segid    A and resid 11   and name  HA  ))      4.180     2.460     0.836 peak    45 weight  1.00000E+00 volume  7.63142E+06 ppm1      7.229 ppm2      4.214
 ASSI {   46}   (( segid    A and resid 10   and name  HE3 ))   (( segid    A and resid 10   and name  HB2 ))      3.923     2.203     0.785 peak    46 weight  1.00000E+00 volume  1.15921E+07 ppm1      7.230 ppm2      2.897
 ASSI {   47}   (( segid    A and resid 10   and name  HE3 ))   (( segid    A and resid 10   and name  HB1 ))      4.155     2.435     0.831 peak    47 weight  1.00000E+00 volume  7.79097E+06 ppm1      7.232 ppm2      2.178
 ASSI {   48}   (( segid    A and resid 10   and name  HE3 ))   (  segid    A and resid 11   and name  HD2#)      4.762     3.042     0.952 peak    48 weight  1.00000E+00 volume  1.49497E+07 ppm1      7.230 ppm2      0.626
 ASSI {   49}   (  segid    A and resid 40   and name  HE# )   (( segid    A and resid 22   and name  HA  ))      4.790     3.070     0.958 peak    49 weight  1.00000E+00 volume  7.53770E+06 ppm1      6.859 ppm2      5.129
 ASSI {   50}   (  segid    A and resid 40   and name  HE# )   (  segid    A and resid 23   and name  HB# )      5.550     3.830     1.110 peak    50 weight  1.00000E+00 volume  7.33506E+06 ppm1      6.856 ppm2      1.571
 ASSI {   53}   (( segid    A and resid 10   and name  HZ2 ))   (  segid    A and resid 11   and name  HD1#)      5.423     3.703     1.085 peak    53 weight  1.00000E+00 volume  7.44726E+06 ppm1      7.573 ppm2      0.610
 ASSI {   56}   (( segid    A and resid 10   and name  HZ2 ))   (( segid    A and resid 10   and name  HZ3 ))      4.809     3.089     0.962 peak    56 weight  1.00000E+00 volume  5.10777E+06 ppm1      7.575 ppm2      7.107
 ASSI {   57}   (( segid    A and resid 10   and name  HZ2 ))   (( segid    A and resid 10   and name  HE1 ))      3.697     1.977     0.739 peak    57 weight  1.00000E+00 volume  1.18025E+07 ppm1      7.571 ppm2     10.710
 ASSI {   59}   (  segid    A and resid 40   and name  HE# )   (( segid    A and resid 23   and name  HD1 ))      4.281     2.561     0.856 peak    59 weight  1.00000E+00 volume  2.05190E+07 ppm1      6.863 ppm2      3.761
 ASSI {   61}   (( segid    A and resid 10   and name  HE3 ))   (  segid    A and resid 15   and name  HE# )      4.181     2.461     0.836 peak    61 weight  1.00000E+00 volume  5.99418E+06 ppm1      7.224 ppm2      7.414
 ASSI {   64}   (( segid    A and resid 10   and name  HE3 ))   (( segid    A and resid 10   and name  HN  ))      3.958     2.238     0.792 peak    64 weight  1.00000E+00 volume  7.06625E+06 ppm1      7.231 ppm2      6.708
 ASSI {   65}   (( segid    A and resid 10   and name  HE3 ))   (( segid    A and resid 10   and name  HZ3 ))      3.622     1.902     0.724 peak    65 weight  1.00000E+00 volume  2.79646E+07 ppm1      7.231 ppm2      7.076
 ASSI {   71}   (( segid    A and resid 10   and name  HD1 ))   (( segid    A and resid 10   and name  HN  ))      3.397     1.677     0.679 peak    71 weight  1.00000E+00 volume  2.00133E+07 ppm1      6.827 ppm2      6.690
 ASSI {   72}   (( segid    A and resid 10   and name  HD1 ))   (( segid    A and resid 10   and name  HE1 ))      3.315     1.595     0.663 peak    72 weight  1.00000E+00 volume  2.39568E+07 ppm1      6.827 ppm2     10.692
 ASSI {   73}   (( segid    A and resid 10   and name  HZ3 ))   (( segid    A and resid 11   and name  HA  ))      4.452     2.732     0.890 peak    73 weight  1.00000E+00 volume  2.88736E+06 ppm1      7.090 ppm2      4.214
 ASSI {   74}   (( segid    A and resid 10   and name  HD1 ))   (( segid    A and resid 44   and name  HG12))      5.094     3.374     1.019 peak    74 weight  1.00000E+00 volume  3.61212E+06 ppm1      6.825 ppm2      1.109
 ASSI {   75}   (( segid    A and resid 10   and name  HZ2 ))   (( segid    A and resid 8    and name  HG2 ))      4.936     3.216     0.987 peak    75 weight  1.00000E+00 volume  4.36301E+06 ppm1      7.569 ppm2      1.749
 ASSI {   76}   (( segid    A and resid 10   and name  HD1 ))   (( segid    A and resid 8    and name  HB1 ))      5.009     3.289     1.002 peak    76 weight  1.00000E+00 volume  3.99969E+06 ppm1      6.825 ppm2      0.397
 ASSI {   84}   (  segid    A and resid 40   and name  HE# )   (( segid    A and resid 23   and name  HG2 ))      5.066     3.346     1.013 peak    84 weight  1.00000E+00 volume  6.51044E+06 ppm1      6.860 ppm2      1.846
 ASSI {   85}   (  segid    A and resid 40   and name  HE# )   (  segid    A and resid 40   and name  HD# )      4.186     2.466     0.837 peak    85 weight  1.00000E+00 volume  4.69537E+07 ppm1      6.862 ppm2      7.014
 ASSI {   94}   (  segid    A and resid 54   and name  HD# )   (( segid    A and resid 43   and name  HB1 ))      5.365     3.645     1.073 peak    94 weight  1.00000E+00 volume  5.29746E+06 ppm1      7.176 ppm2      1.634
 ASSI {   95}   (  segid    A and resid 40   and name  HD# )   (( segid    A and resid 23   and name  HD1 ))      5.278     3.558     1.056 peak    95 weight  1.00000E+00 volume  5.83978E+06 ppm1      6.949 ppm2      3.777
 ASSI {   98}   (  segid    A and resid 40   and name  HD# )   (( segid    A and resid 40   and name  HN  ))      4.296     2.576     0.859 peak    98 weight  1.00000E+00 volume  3.71195E+06 ppm1      6.956 ppm2      8.587
 ASSI {   99}   (  segid    A and resid 40   and name  HE# )   (( segid    A and resid 40   and name  HB2 ))      4.549     2.829     0.910 peak    99 weight  1.00000E+00 volume  4.07174E+06 ppm1      6.856 ppm2      2.733
 ASSI {  104}   (( segid    A and resid 10   and name  HE3 ))   (( segid    A and resid 10   and name  HA  ))      3.939     2.219     0.788 peak   104 weight  1.00000E+00 volume  2.33259E+06 ppm1      7.220 ppm2      4.529
 ASSI {  105}   (  segid    A and resid 15   and name  HD# )   (( segid    A and resid 10   and name  HB2 ))      4.112     2.392     0.822 peak   105 weight  1.00000E+00 volume  2.61365E+07 ppm1      7.204 ppm2      2.852
 ASSI {  109}   (  segid    A and resid 7    and name  HD# )   (( segid    A and resid 7    and name  HA  ))      4.763     3.043     0.953 peak   109 weight  1.00000E+00 volume  6.68278E+06 ppm1      7.145 ppm2      4.751
 ASSI {  110}   (  segid    A and resid 7    and name  HD# )   (( segid    A and resid 8    and name  HD1 ))      5.699     3.979     1.140 peak   110 weight  1.00000E+00 volume  3.01545E+06 ppm1      7.143 ppm2      3.246
 ASSI {    1}   (( segid    A and resid 38   and name  HB  ))   (( segid    A and resid 57   and name  HN  ))      4.060     2.340     0.812 peak     1 weight  1.00000E+00 volume  1.77644E+06 ppm1      4.639 ppm2      7.722
 ASSI {    2}   (( segid    A and resid 38   and name  HB  ))   (( segid    A and resid 58   and name  HG2 ))      5.064     3.344     1.013 peak     2 weight  1.00000E+00 volume  3.51091E+06 ppm1      4.640 ppm2      1.530
 ASSI {    3}   (( segid    A and resid 38   and name  HB  ))   (( segid    A and resid 40   and name  HN  ))      5.546     3.826     1.109 peak     3 weight  1.00000E+00 volume  2.03610E+06 ppm1      4.637 ppm2      8.593
 ASSI {    4}   (( segid    A and resid 38   and name  HB  ))   (( segid    A and resid 38   and name  HA  ))      3.327     1.607     0.665 peak     4 weight  1.00000E+00 volume  2.69962E+07 ppm1      4.634 ppm2      4.839
 ASSI {    5}   (( segid    A and resid 38   and name  HB  ))   (( segid    A and resid 40   and name  HB1 ))      4.742     3.022     1.258 peak     5 weight  1.00000E+00 volume  1.85723E+06 ppm1      4.633 ppm2      2.925
 ASSI {    6}   (( segid    A and resid 38   and name  HB  ))   (( segid    A and resid 40   and name  HB2 ))      4.589     2.869     0.918 peak     6 weight  1.00000E+00 volume  1.45256E+06 ppm1      4.636 ppm2      2.704
 ASSI {    7}   (( segid    A and resid 38   and name  HB  ))   (  segid    A and resid 38   and name  HG2#)      3.912     2.192     0.782 peak     7 weight  1.00000E+00 volume  3.50647E+07 ppm1      4.634 ppm2      1.039
 ASSI {    8}   (( segid    A and resid 45   and name  HB  ))   (( segid    A and resid 46   and name  HN  ))      4.557     2.837     0.911 peak     8 weight  1.00000E+00 volume  3.30489E+06 ppm1      3.685 ppm2      9.243
 ASSI {   10}   (( segid    A and resid 45   and name  HB  ))   (( segid    A and resid 16   and name  HA  ))      5.545     3.825     1.109 peak    10 weight  1.00000E+00 volume  2.03674E+06 ppm1      3.687 ppm2      4.525
 ASSI {   11}   (( segid    A and resid 45   and name  HB  ))   (  segid    A and resid 15   and name  HB# )      6.858     5.138     0.142 peak    11 weight  1.00000E+00 volume  1.13887E+06 ppm1      3.689 ppm2      2.898
 ASSI {   12}   (( segid    A and resid 45   and name  HB  ))   (( segid    A and resid 45   and name  HN  ))      3.459     1.739     0.692 peak    12 weight  1.00000E+00 volume  1.64106E+07 ppm1      3.683 ppm2      9.004
 ASSI {   13}   (( segid    A and resid 45   and name  HB  ))   (( segid    A and resid 16   and name  HN  ))      4.301     2.581     0.860 peak    13 weight  1.00000E+00 volume  5.33406E+06 ppm1      3.683 ppm2      8.445
 ASSI {   14}   (( segid    A and resid 45   and name  HB  ))   (( segid    A and resid 45   and name  HA  ))      4.153     2.433     0.831 peak    14 weight  1.00000E+00 volume  1.15499E+07 ppm1      3.684 ppm2      5.106
 ASSI {   15}   (( segid    A and resid 45   and name  HB  ))   (( segid    A and resid 16   and name  HB  ))      4.738     3.018     0.948 peak    15 weight  1.00000E+00 volume  5.23249E+06 ppm1      3.684 ppm2      2.014
 ASSI {   16}   (( segid    A and resid 45   and name  HB  ))   (  segid    A and resid 18   and name  HB# )      5.539     3.819     1.108 peak    16 weight  1.00000E+00 volume  5.49616E+06 ppm1      3.683 ppm2      1.219
 ASSI {   17}   (( segid    A and resid 45   and name  HB  ))   (  segid    A and resid 45   and name  HG2#)      3.834     2.114     0.767 peak    17 weight  1.00000E+00 volume  5.41899E+07 ppm1      3.683 ppm2      0.973
 ASSI {   18}   (( segid    A and resid 45   and name  HB  ))   (  segid    A and resid 16   and name  HG2#)      4.140     2.420     0.828 peak    18 weight  1.00000E+00 volume  3.53098E+07 ppm1      3.683 ppm2      0.824
 ASSI {   19}   (( segid    A and resid 31   and name  HB  ))   (( segid    A and resid 32   and name  HN  ))      4.291     2.571     0.858 peak    19 weight  1.00000E+00 volume  3.06567E+06 ppm1      4.315 ppm2      7.537
 ASSI {   20}   (( segid    A and resid 31   and name  HB  ))   (( segid    A and resid 31   and name  HN  ))      4.079     2.359     0.816 peak    20 weight  1.00000E+00 volume  6.15963E+06 ppm1      4.314 ppm2      7.162
 ASSI {   21}   (( segid    A and resid 31   and name  HB  ))   (  segid    A and resid 30   and name  HB# )      4.757     3.037     0.951 peak    21 weight  1.00000E+00 volume  1.57414E+06 ppm1      4.312 ppm2      1.855
 ASSI {   22}   (( segid    A and resid 31   and name  HB  ))   (  segid    A and resid 31   and name  HG2#)      3.757     2.037     0.751 peak    22 weight  1.00000E+00 volume  6.23474E+07 ppm1      4.313 ppm2      0.950
 ASSI {   23}   (( segid    A and resid 32   and name  HB  ))   (( segid    A and resid 35   and name  HN  ))      5.577     3.857     1.115 peak    23 weight  1.00000E+00 volume  1.96783E+06 ppm1      3.999 ppm2      7.889
 ASSI {   24}   (( segid    A and resid 32   and name  HB  ))   (( segid    A and resid 35   and name  HB1 ))      5.666     3.946     1.133 peak    24 weight  1.00000E+00 volume  1.78993E+06 ppm1      3.998 ppm2      3.330
 ASSI {   25}   (( segid    A and resid 32   and name  HB  ))   (( segid    A and resid 32   and name  HN  ))      3.286     1.566     0.657 peak    25 weight  1.00000E+00 volume  1.18643E+07 ppm1      3.995 ppm2      7.534
 ASSI {   27}   (( segid    A and resid 32   and name  HB  ))   (( segid    A and resid 28   and name  HD2 ))      5.226     3.506     1.045 peak    27 weight  1.00000E+00 volume  2.34184E+06 ppm1      3.997 ppm2      2.644
 ASSI {   28}   (( segid    A and resid 32   and name  HB  ))   (  segid    A and resid 28   and name  HG# )      4.721     3.001     0.944 peak    28 weight  1.00000E+00 volume  1.03965E+07 ppm1      3.996 ppm2      1.458
 ASSI {   29}   (( segid    A and resid 32   and name  HB  ))   (  segid    A and resid 32   and name  HG2#)      3.851     2.131     0.770 peak    29 weight  1.00000E+00 volume  2.82408E+07 ppm1      3.996 ppm2      0.809
 ASSI {   30}   (( segid    A and resid 37   and name  HA  ))   (( segid    A and resid 37   and name  HD1 ))      4.296     2.576     0.859 peak    30 weight  1.00000E+00 volume  9.42635E+06 ppm1      4.231 ppm2      3.641
 ASSI {   31}   (( segid    A and resid 37   and name  HA  ))   (( segid    A and resid 37   and name  HB1 ))      3.428     1.708     0.686 peak    31 weight  1.00000E+00 volume  3.64912E+07 ppm1      4.230 ppm2      2.436
 ASSI {   32}   (( segid    A and resid 37   and name  HA  ))   (( segid    A and resid 37   and name  HG2 ))      4.154     2.434     0.831 peak    32 weight  1.00000E+00 volume  1.15340E+07 ppm1      4.231 ppm2      2.202
 ASSI {   33}   (( segid    A and resid 37   and name  HA  ))   (( segid    A and resid 37   and name  HB2 ))      3.406     1.686     0.681 peak    33 weight  1.00000E+00 volume  3.79261E+07 ppm1      4.230 ppm2      1.989
 ASSI {   34}   (( segid    A and resid 37   and name  HA  ))   (  segid    A and resid 38   and name  HG2#)      5.722     4.002     1.144 peak    34 weight  1.00000E+00 volume  5.06161E+06 ppm1      4.232 ppm2      1.037
 ASSI {   35}   (( segid    A and resid 37   and name  HA  ))   (( segid    A and resid 38   and name  HN  ))      4.732     3.012     0.946 peak    35 weight  1.00000E+00 volume  3.57054E+06 ppm1      4.229 ppm2      8.917
 ASSI {   37}   (  segid    A and resid 22   and name  HB# )   (( segid    A and resid 22   and name  HN  ))      4.191     2.471     0.838 peak    37 weight  1.00000E+00 volume  8.03734E+06 ppm1      3.993 ppm2      8.915
 ASSI {   38}   (  segid    A and resid 22   and name  HB# )   (( segid    A and resid 41   and name  HN  ))      5.879     4.159     1.121 peak    38 weight  1.00000E+00 volume  2.04749E+06 ppm1      3.989 ppm2      8.534
 ASSI {   39}   (  segid    A and resid 22   and name  HB# )   (( segid    A and resid 22   and name  HA  ))      3.746     2.026     0.749 peak    39 weight  1.00000E+00 volume  2.62610E+07 ppm1      3.989 ppm2      5.124
 ASSI {   40}   (  segid    A and resid 22   and name  HB# )   (( segid    A and resid 23   and name  HG2 ))      5.400     3.680     1.080 peak    40 weight  1.00000E+00 volume  3.25194E+06 ppm1      3.987 ppm2      1.832
 ASSI {   41}   (  segid    A and resid 22   and name  HB# )   (( segid    A and resid 23   and name  HD1 ))      3.847     2.127     0.769 peak    41 weight  1.00000E+00 volume  3.06759E+07 ppm1      3.983 ppm2      3.776
 ASSI {   42}   (  segid    A and resid 22   and name  HB# )   (( segid    A and resid 23   and name  HG1 ))      4.686     2.966     0.937 peak    42 weight  1.00000E+00 volume  4.12048E+06 ppm1      3.982 ppm2      2.010
 ASSI {   43}   (( segid    A and resid 25   and name  HB1 ))   (( segid    A and resid 25   and name  HN  ))      3.931     2.211     0.786 peak    43 weight  1.00000E+00 volume  3.88051E+06 ppm1      4.330 ppm2      8.696
 ASSI {   45}   (( segid    A and resid 25   and name  HB1 ))   (( segid    A and resid 25   and name  HB2 ))      3.207     1.487     0.641 peak    45 weight  1.00000E+00 volume  5.44046E+07 ppm1      4.328 ppm2      4.101
 ASSI {   46}   (( segid    A and resid 33   and name  HA  ))   (( segid    A and resid 36   and name  HN  ))      4.412     2.692     0.882 peak    46 weight  1.00000E+00 volume  3.57402E+06 ppm1      4.321 ppm2      8.182
 ASSI {   47}   (( segid    A and resid 33   and name  HA  ))   (( segid    A and resid 35   and name  HN  ))      4.252     2.532     0.850 peak    47 weight  1.00000E+00 volume  5.35548E+06 ppm1      4.320 ppm2      7.893
 ASSI {   48}   (( segid    A and resid 33   and name  HA  ))   (( segid    A and resid 34   and name  HN  ))      4.572     2.852     0.914 peak    48 weight  1.00000E+00 volume  4.10926E+06 ppm1      4.312 ppm2      9.523
 ASSI {   49}   (( segid    A and resid 33   and name  HA  ))   (( segid    A and resid 33   and name  HD1 ))      4.381     2.661     0.876 peak    49 weight  1.00000E+00 volume  8.37030E+06 ppm1      4.317 ppm2      3.809
 ASSI {   50}   (( segid    A and resid 33   and name  HA  ))   (( segid    A and resid 33   and name  HB1 ))      3.319     1.599     0.664 peak    50 weight  1.00000E+00 volume  4.43185E+07 ppm1      4.315 ppm2      2.381
 ASSI {   51}   (( segid    A and resid 33   and name  HA  ))   (( segid    A and resid 33   and name  HG2 ))      4.296     2.576     0.859 peak    51 weight  1.00000E+00 volume  9.42412E+06 ppm1      4.316 ppm2      2.117
 ASSI {   52}   (( segid    A and resid 33   and name  HA  ))   (( segid    A and resid 33   and name  HB2 ))      3.476     1.756     0.695 peak    52 weight  1.00000E+00 volume  3.35627E+07 ppm1      4.315 ppm2      1.950
 ASSI {   53}   (( segid    A and resid 25   and name  HB2 ))   (( segid    A and resid 25   and name  HN  ))      3.727     2.007     0.745 peak    53 weight  1.00000E+00 volume  6.05381E+06 ppm1      4.108 ppm2      8.694
 ASSI {   54}   (( segid    A and resid 25   and name  HB2 ))   (( segid    A and resid 27   and name  HN  ))      4.937     3.217     0.987 peak    54 weight  1.00000E+00 volume  1.14504E+06 ppm1      4.109 ppm2      8.138
 ASSI {   56}   (( segid    A and resid 17   and name  HA  ))   (( segid    A and resid 18   and name  HN  ))      2.986     1.266     0.597 peak    56 weight  1.00000E+00 volume  4.22209E+07 ppm1      4.067 ppm2      9.121
 ASSI {   57}   (( segid    A and resid 17   and name  HA  ))   (( segid    A and resid 17   and name  HN  ))      3.735     2.015     0.747 peak    57 weight  1.00000E+00 volume  9.52565E+06 ppm1      4.068 ppm2      8.765
 ASSI {   58}   (( segid    A and resid 17   and name  HA  ))   (( segid    A and resid 19   and name  HN  ))      3.887     2.167     0.777 peak    58 weight  1.00000E+00 volume  9.91024E+06 ppm1      4.066 ppm2      7.863
 ASSI {   59}   (( segid    A and resid 17   and name  HA  ))   (  segid    A and resid 15   and name  HE# )      6.522     4.802     0.478 peak    59 weight  1.00000E+00 volume  1.53910E+06 ppm1      4.068 ppm2      7.386
 ASSI {   60}   (( segid    A and resid 17   and name  HA  ))   (  segid    A and resid 15   and name  HD# )      5.900     4.180     1.100 peak    60 weight  1.00000E+00 volume  2.80903E+06 ppm1      4.068 ppm2      7.196
 ASSI {   61}   (( segid    A and resid 17   and name  HA  ))   (( segid    A and resid 44   and name  HA  ))      3.651     1.931     0.730 peak    61 weight  1.00000E+00 volume  2.49623E+07 ppm1      4.067 ppm2      5.153
 ASSI {   62}   (( segid    A and resid 17   and name  HA  ))   (( segid    A and resid 16   and name  HA  ))      4.595     2.875     0.919 peak    62 weight  1.00000E+00 volume  6.28835E+06 ppm1      4.066 ppm2      4.509
 ASSI {   63}   (( segid    A and resid 17   and name  HA  ))   (( segid    A and resid 17   and name  HB  ))      3.720     2.000     0.744 peak    63 weight  1.00000E+00 volume  1.51644E+07 ppm1      4.067 ppm2      2.004
 ASSI {   65}   (( segid    A and resid 17   and name  HA  ))   (  segid    A and resid 18   and name  HB# )      5.036     3.316     1.007 peak    65 weight  1.00000E+00 volume  1.08935E+07 ppm1      4.066 ppm2      1.215
 ASSI {   66}   (( segid    A and resid 17   and name  HA  ))   (  segid    A and resid 17   and name  HG2#)      3.809     2.089     0.762 peak    66 weight  1.00000E+00 volume  3.10371E+07 ppm1      4.066 ppm2      0.970
 ASSI {   67}   (( segid    A and resid 17   and name  HA  ))   (  segid    A and resid 17   and name  HG1#)      3.759     2.039     0.752 peak    67 weight  1.00000E+00 volume  3.46726E+07 ppm1      4.067 ppm2      0.795
 ASSI {   68}   (( segid    A and resid 17   and name  HA  ))   (  segid    A and resid 44   and name  HG2#)      4.392     2.672     0.878 peak    68 weight  1.00000E+00 volume  2.47541E+07 ppm1      4.066 ppm2      0.661
 ASSI {   69}   (( segid    A and resid 17   and name  HA  ))   (( segid    A and resid 44   and name  HN  ))      5.284     3.564     1.057 peak    69 weight  1.00000E+00 volume  2.34755E+06 ppm1      4.065 ppm2      9.283
 ASSI {   70}   (( segid    A and resid 49   and name  HB1 ))   (( segid    A and resid 49   and name  HN  ))      4.122     2.402     0.824 peak    70 weight  1.00000E+00 volume  6.38120E+06 ppm1      3.998 ppm2     10.074
 ASSI {   71}   (( segid    A and resid 49   and name  HB1 ))   (( segid    A and resid 51   and name  HN  ))      5.260     3.540     1.052 peak    71 weight  1.00000E+00 volume  2.79598E+06 ppm1      3.998 ppm2      7.273
 ASSI {   73}   (( segid    A and resid 49   and name  HB1 ))   (( segid    A and resid 49   and name  HA  ))      3.369     1.649     0.674 peak    73 weight  1.00000E+00 volume  2.64521E+07 ppm1      3.998 ppm2      4.193
 ASSI {   74}   (( segid    A and resid 49   and name  HB1 ))   (( segid    A and resid 51   and name  HD2 ))      4.935     3.215     0.987 peak    74 weight  1.00000E+00 volume  4.09991E+06 ppm1      4.001 ppm2      3.228
 ASSI {   75}   (( segid    A and resid 49   and name  HB1 ))   (  segid    A and resid 51   and name  HG# )      5.104     3.384     1.021 peak    75 weight  1.00000E+00 volume  6.69946E+06 ppm1      3.998 ppm2      1.649
 ASSI {   76}   (( segid    A and resid 49   and name  HB1 ))   (( segid    A and resid 50   and name  HN  ))      5.311     3.591     1.062 peak    76 weight  1.00000E+00 volume  2.63926E+06 ppm1      3.997 ppm2      7.609
 ASSI {   77}   (( segid    A and resid 49   and name  HB2 ))   (( segid    A and resid 51   and name  HN  ))      4.257     2.537     0.851 peak    77 weight  1.00000E+00 volume  6.38248E+06 ppm1      3.904 ppm2      7.293
 ASSI {   78}   (( segid    A and resid 49   and name  HB2 ))   (  segid    A and resid 51   and name  HG# )      4.674     2.954     0.935 peak    78 weight  1.00000E+00 volume  1.13663E+07 ppm1      3.896 ppm2      1.647
 ASSI {   79}   (( segid    A and resid 49   and name  HB2 ))   (( segid    A and resid 49   and name  HN  ))      4.512     2.792     0.902 peak    79 weight  1.00000E+00 volume  7.02226E+06 ppm1      3.895 ppm2     10.076
 ASSI {   83}   (( segid    A and resid 47   and name  HB1 ))   (( segid    A and resid 47   and name  HA  ))      3.203     1.483     0.641 peak    83 weight  1.00000E+00 volume  5.48507E+07 ppm1      3.875 ppm2      4.151
 ASSI {   84}   (( segid    A and resid 47   and name  HB1 ))   (( segid    A and resid 14   and name  HN  ))      5.071     3.351     1.014 peak    84 weight  1.00000E+00 volume  3.48087E+06 ppm1      3.875 ppm2      8.195
 ASSI {   85}   (( segid    A and resid 47   and name  HB1 ))   (( segid    A and resid 14   and name  HB1 ))      4.268     2.548     0.854 peak    85 weight  1.00000E+00 volume  9.80226E+06 ppm1      3.876 ppm2      1.912
 ASSI {   86}   (( segid    A and resid 47   and name  HB1 ))   (( segid    A and resid 47   and name  HN  ))      3.813     2.093     0.763 peak    86 weight  1.00000E+00 volume  1.20565E+07 ppm1      3.873 ppm2      9.034
 ASSI {   87}   (( segid    A and resid 47   and name  HB2 ))   (( segid    A and resid 50   and name  HN  ))      6.485     4.765     0.515 peak    87 weight  1.00000E+00 volume  7.95962E+05 ppm1      3.775 ppm2      7.599
 ASSI {   88}   (( segid    A and resid 47   and name  HB2 ))   (( segid    A and resid 47   and name  HN  ))      3.406     1.686     0.681 peak    88 weight  1.00000E+00 volume  1.67801E+07 ppm1      3.768 ppm2      9.034
 ASSI {   89}   (( segid    A and resid 47   and name  HB2 ))   (( segid    A and resid 14   and name  HN  ))      4.755     3.035     0.951 peak    89 weight  1.00000E+00 volume  3.11147E+06 ppm1      3.767 ppm2      8.191
 ASSI {   90}   (( segid    A and resid 47   and name  HB2 ))   (( segid    A and resid 15   and name  HA  ))      4.916     3.196     0.983 peak    90 weight  1.00000E+00 volume  2.41861E+06 ppm1      3.771 ppm2      5.575
 ASSI {   91}   (( segid    A and resid 47   and name  HB2 ))   (( segid    A and resid 47   and name  HA  ))      3.629     1.909     0.726 peak    91 weight  1.00000E+00 volume  2.23244E+07 ppm1      3.768 ppm2      4.148
 ASSI {   92}   (( segid    A and resid 47   and name  HB2 ))   (( segid    A and resid 14   and name  HB2 ))      4.593     2.873     0.919 peak    92 weight  1.00000E+00 volume  6.30669E+06 ppm1      3.769 ppm2      2.055
 ASSI {   93}   (( segid    A and resid 47   and name  HB2 ))   (( segid    A and resid 14   and name  HB1 ))      4.293     2.573     0.859 peak    93 weight  1.00000E+00 volume  9.46419E+06 ppm1      3.767 ppm2      1.917
 ASSI {   94}   (( segid    A and resid 47   and name  HB2 ))   (  segid    A and resid 16   and name  HG2#)      5.263     3.543     1.053 peak    94 weight  1.00000E+00 volume  1.92665E+06 ppm1      3.769 ppm2      0.833
 ASSI {   95}   (( segid    A and resid 59   and name  HB1 ))   (  segid    A and resid 61   and name  HB# )      6.304     4.584     0.696 peak    95 weight  1.00000E+00 volume  1.88639E+06 ppm1      3.462 ppm2      1.579
 ASSI {   96}   (( segid    A and resid 59   and name  HB1 ))   (( segid    A and resid 60   and name  HN  ))      4.203     2.483     0.841 peak    96 weight  1.00000E+00 volume  4.84639E+06 ppm1      3.455 ppm2      7.999
 ASSI {   97}   (( segid    A and resid 59   and name  HB1 ))   (( segid    A and resid 59   and name  HN  ))      3.781     2.061     0.756 peak    97 weight  1.00000E+00 volume  7.58370E+06 ppm1      3.456 ppm2      7.740
 ASSI {   98}   (( segid    A and resid 59   and name  HB1 ))   (  segid    A and resid 40   and name  HE# )      5.585     3.865     1.117 peak    98 weight  1.00000E+00 volume  3.90352E+06 ppm1      3.455 ppm2      6.879
 ASSI {  100}   (( segid    A and resid 59   and name  HB1 ))   (( segid    A and resid 58   and name  HA  ))      5.019     3.299     1.004 peak   100 weight  1.00000E+00 volume  3.70381E+06 ppm1      3.458 ppm2      4.203
 ASSI {  101}   (( segid    A and resid 59   and name  HB1 ))   (( segid    A and resid 59   and name  HA  ))      3.683     1.963     0.737 peak   101 weight  1.00000E+00 volume  2.37340E+07 ppm1      3.456 ppm2      3.865
 ASSI {  102}   (( segid    A and resid 59   and name  HB1 ))   (( segid    A and resid 59   and name  HB2 ))      2.994     1.274     0.599 peak   102 weight  1.00000E+00 volume  8.13643E+07 ppm1      3.456 ppm2      3.193
 ASSI {  103}   (( segid    A and resid 59   and name  HB1 ))   (( segid    A and resid 40   and name  HB1 ))      5.525     3.805     1.105 peak   103 weight  1.00000E+00 volume  2.08301E+06 ppm1      3.459 ppm2      2.919
 ASSI {  104}   (( segid    A and resid 59   and name  HB1 ))   (  segid    A and resid 60   and name  HB# )      6.855     5.135     0.145 peak   104 weight  1.00000E+00 volume  1.71186E+06 ppm1      3.457 ppm2      1.361
 ASSI {  106}   (( segid    A and resid 59   and name  HB2 ))   (( segid    A and resid 61   and name  HN  ))      4.681     2.961     0.936 peak   106 weight  1.00000E+00 volume  4.61714E+06 ppm1      3.205 ppm2      7.972
 ASSI {  107}   (( segid    A and resid 59   and name  HB2 ))   (( segid    A and resid 59   and name  HN  ))      3.447     1.727     0.689 peak   107 weight  1.00000E+00 volume  1.33632E+07 ppm1      3.204 ppm2      7.739
 ASSI {  108}   (( segid    A and resid 59   and name  HB2 ))   (  segid    A and resid 40   and name  HE# )      5.639     3.919     1.128 peak   108 weight  1.00000E+00 volume  3.68380E+06 ppm1      3.205 ppm2      6.873
 ASSI {  110}   (( segid    A and resid 59   and name  HB2 ))   (( segid    A and resid 58   and name  HA  ))      4.972     3.252     0.994 peak   110 weight  1.00000E+00 volume  3.92010E+06 ppm1      3.205 ppm2      4.213
 ASSI {  111}   (( segid    A and resid 59   and name  HB2 ))   (( segid    A and resid 59   and name  HA  ))      3.888     2.168     0.778 peak   111 weight  1.00000E+00 volume  1.48438E+07 ppm1      3.205 ppm2      3.864
 ASSI {  113}   (( segid    A and resid 59   and name  HB2 ))   (  segid    A and resid 61   and name  HB# )      5.849     4.129     1.151 peak   113 weight  1.00000E+00 volume  2.95816E+06 ppm1      3.206 ppm2      1.576
 ASSI {  114}   (( segid    A and resid 56   and name  HB1 ))   (( segid    A and resid 56   and name  HN  ))      3.490     1.770     0.698 peak   114 weight  1.00000E+00 volume  1.69027E+07 ppm1      4.257 ppm2      9.231
 ASSI {  115}   (( segid    A and resid 56   and name  HB1 ))   (( segid    A and resid 57   and name  HN  ))      4.278     2.558     0.856 peak   115 weight  1.00000E+00 volume  5.13106E+06 ppm1      4.256 ppm2      7.728
 ASSI {  116}   (( segid    A and resid 56   and name  HB1 ))   (( segid    A and resid 56   and name  HA  ))      3.871     2.151     0.774 peak   116 weight  1.00000E+00 volume  1.75990E+07 ppm1      4.259 ppm2      4.570
 ASSI {  117}   (( segid    A and resid 56   and name  HB1 ))   (( segid    A and resid 56   and name  HB2 ))      3.183     1.463     0.637 peak   117 weight  1.00000E+00 volume  5.69240E+07 ppm1      4.257 ppm2      3.868
 ASSI {  118}   (( segid    A and resid 56   and name  HB1 ))   (( segid    A and resid 37   and name  HD1 ))      4.512     2.792     0.902 peak   118 weight  1.00000E+00 volume  4.61640E+06 ppm1      4.263 ppm2      3.682
 ASSI {  119}   (( segid    A and resid 56   and name  HB1 ))   (( segid    A and resid 37   and name  HG2 ))      5.104     3.384     1.021 peak   119 weight  1.00000E+00 volume  3.34847E+06 ppm1      4.257 ppm2      2.198
 ASSI {  120}   (( segid    A and resid 56   and name  HB1 ))   (( segid    A and resid 37   and name  HG1 ))      4.372     2.652     0.874 peak   120 weight  1.00000E+00 volume  8.47438E+06 ppm1      4.257 ppm2      1.993
 ASSI {  121}   (( segid    A and resid 56   and name  HB1 ))   (  segid    A and resid 38   and name  HG2#)      4.895     3.175     0.979 peak   121 weight  1.00000E+00 volume  4.49297E+06 ppm1      4.256 ppm2      1.031
 ASSI {  122}   (( segid    A and resid 56   and name  HB1 ))   (  segid    A and resid 41   and name  HG1#)      5.676     3.956     1.135 peak   122 weight  1.00000E+00 volume  5.31580E+06 ppm1      4.256 ppm2      0.595
 ASSI {  123}   (( segid    A and resid 56   and name  HB2 ))   (( segid    A and resid 56   and name  HN  ))      3.414     1.694     0.683 peak   123 weight  1.00000E+00 volume  1.86968E+07 ppm1      3.877 ppm2      9.231
 ASSI {  124}   (( segid    A and resid 56   and name  HB2 ))   (( segid    A and resid 57   and name  HN  ))      4.423     2.703     0.885 peak   124 weight  1.00000E+00 volume  4.10958E+06 ppm1      3.876 ppm2      7.730
 ASSI {  125}   (( segid    A and resid 56   and name  HB2 ))   (( segid    A and resid 56   and name  HA  ))      3.701     1.981     0.740 peak   125 weight  1.00000E+00 volume  2.30620E+07 ppm1      3.878 ppm2      4.564
 ASSI {  127}   (( segid    A and resid 56   and name  HB2 ))   (( segid    A and resid 34   and name  HG2 ))      5.138     3.418     1.028 peak   127 weight  1.00000E+00 volume  3.22016E+06 ppm1      3.878 ppm2      2.466
 ASSI {  128}   (( segid    A and resid 56   and name  HB2 ))   (( segid    A and resid 34   and name  HB1 ))      4.251     2.531     0.850 peak   128 weight  1.00000E+00 volume  1.00405E+07 ppm1      3.880 ppm2      1.997
 ASSI {  129}   (( segid    A and resid 56   and name  HB2 ))   (  segid    A and resid 38   and name  HG2#)      5.570     3.850     1.114 peak   129 weight  1.00000E+00 volume  5.95059E+06 ppm1      3.879 ppm2      1.021
 ASSI {  130}   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 7    and name  HB1 ))      5.146     3.426     1.029 peak   130 weight  1.00000E+00 volume  2.01656E+06 ppm1      4.371 ppm2      2.913
 ASSI {  131}   (( segid    A and resid 8    and name  HA  ))   (  segid    A and resid 11   and name  HD1#)      6.208     4.488     0.792 peak   131 weight  1.00000E+00 volume  3.10283E+06 ppm1      4.380 ppm2      0.592
 ASSI {  132}   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 9    and name  HN  ))      3.068     1.348     0.614 peak   132 weight  1.00000E+00 volume  5.00106E+07 ppm1      4.373 ppm2      9.668
 ASSI {  133}   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 10   and name  HN  ))      4.534     2.814     0.907 peak   133 weight  1.00000E+00 volume  4.31616E+06 ppm1      4.377 ppm2      6.690
 ASSI {  134}   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 9    and name  HB1 ))      4.924     3.204     0.985 peak   134 weight  1.00000E+00 volume  8.30554E+06 ppm1      4.373 ppm2      3.658
 OR {  134}
   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 8    and name  HD2 )) ASSI {  135}   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 8    and name  HD1 ))      4.701     2.981     0.940 peak   135 weight  1.00000E+00 volume  5.48693E+06 ppm1      4.374 ppm2      3.212
 ASSI {  136}   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 9    and name  HB2 ))      4.617     2.897     1.200 peak   136 weight  1.00000E+00 volume  6.11205E+06 ppm1      4.374 ppm2      3.102
 ASSI {  138}   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 8    and name  HG2 ))      3.711     1.991     0.742 peak   138 weight  1.00000E+00 volume  4.53647E+07 ppm1      4.372 ppm2      1.723
 OR {  138}
   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 8    and name  HB2 )) ASSI {  139}   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 8    and name  HG1 ))      4.412     2.692     0.882 peak   139 weight  1.00000E+00 volume  8.02972E+06 ppm1      4.375 ppm2      1.395
 ASSI {  140}   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 8    and name  HB1 ))      3.775     2.055     0.755 peak   140 weight  1.00000E+00 volume  2.04541E+07 ppm1      4.372 ppm2      0.388
 ASSI {  141}   (  segid    A and resid 48   and name  HB# )   (( segid    A and resid 14   and name  HN  ))      5.783     4.063     1.157 peak   141 weight  1.00000E+00 volume  2.71005E+06 ppm1      3.944 ppm2      8.208
 ASSI {  142}   (  segid    A and resid 48   and name  HB# )   (( segid    A and resid 49   and name  HA  ))      4.888     3.168     0.978 peak   142 weight  1.00000E+00 volume  8.68683E+06 ppm1      3.945 ppm2      4.201
 ASSI {  143}   (  segid    A and resid 48   and name  HB# )   (( segid    A and resid 49   and name  HN  ))      3.875     2.155     0.775 peak   143 weight  1.00000E+00 volume  1.89267E+07 ppm1      3.936 ppm2     10.080
 ASSI {  144}   (  segid    A and resid 48   and name  HB# )   (( segid    A and resid 48   and name  HN  ))      3.459     1.739     0.692 peak   144 weight  1.00000E+00 volume  3.32332E+07 ppm1      3.936 ppm2      8.913
 ASSI {  145}   (  segid    A and resid 48   and name  HB# )   (( segid    A and resid 50   and name  HN  ))      5.645     3.925     1.129 peak   145 weight  1.00000E+00 volume  3.66115E+06 ppm1      3.943 ppm2      7.607
 ASSI {  146}   (  segid    A and resid 48   and name  HB# )   (( segid    A and resid 48   and name  HA  ))      3.620     1.900     0.724 peak   146 weight  1.00000E+00 volume  4.91527E+07 ppm1      3.937 ppm2      4.577
 ASSI {  147}   (  segid    A and resid 48   and name  HB# )   (( segid    A and resid 47   and name  HB2 ))      5.119     3.399     1.024 peak   147 weight  1.00000E+00 volume  6.58318E+06 ppm1      3.936 ppm2      3.741
 ASSI {  149}   (( segid    A and resid 47   and name  HA  ))   (( segid    A and resid 47   and name  HN  ))      3.596     1.876     0.719 peak   149 weight  1.00000E+00 volume  1.46344E+07 ppm1      4.156 ppm2      9.034
 ASSI {  150}   (( segid    A and resid 47   and name  HA  ))   (( segid    A and resid 50   and name  HN  ))      5.039     3.319     1.008 peak   150 weight  1.00000E+00 volume  3.61656E+06 ppm1      4.155 ppm2      7.608
 ASSI {  151}   (( segid    A and resid 47   and name  HA  ))   (( segid    A and resid 15   and name  HA  ))      5.315     3.595     1.063 peak   151 weight  1.00000E+00 volume  2.62640E+06 ppm1      4.158 ppm2      5.576
 ASSI {  153}   (( segid    A and resid 47   and name  HA  ))   (  segid    A and resid 50   and name  HE# )      5.603     3.883     1.121 peak   153 weight  1.00000E+00 volume  2.60147E+06 ppm1      4.159 ppm2      2.995
 ASSI {  154}   (( segid    A and resid 47   and name  HA  ))   (( segid    A and resid 50   and name  HD1 ))      4.823     3.103     0.965 peak   154 weight  1.00000E+00 volume  4.70748E+06 ppm1      4.156 ppm2      1.626
 ASSI {  155}   (( segid    A and resid 47   and name  HA  ))   (  segid    A and resid 45   and name  HG2#)      5.431     3.711     1.086 peak   155 weight  1.00000E+00 volume  6.92373E+06 ppm1      4.156 ppm2      0.970
 ASSI {  156}   (( segid    A and resid 47   and name  HA  ))   (( segid    A and resid 49   and name  HN  ))      6.024     4.304     0.976 peak   156 weight  1.00000E+00 volume  1.23956E+06 ppm1      4.153 ppm2     10.079
 ASSI {  157}   (( segid    A and resid 23   and name  HA  ))   (( segid    A and resid 22   and name  HN  ))      5.890     4.170     1.110 peak   157 weight  1.00000E+00 volume  1.41770E+06 ppm1      3.786 ppm2      8.936
 ASSI {  158}   (( segid    A and resid 23   and name  HA  ))   (( segid    A and resid 24   and name  HN  ))      2.963     1.243     0.593 peak   158 weight  1.00000E+00 volume  4.14872E+07 ppm1      3.782 ppm2      8.758
 ASSI {  159}   (( segid    A and resid 23   and name  HA  ))   (( segid    A and resid 41   and name  HN  ))      4.240     2.520     0.848 peak   159 weight  1.00000E+00 volume  8.48395E+06 ppm1      3.781 ppm2      8.509
 ASSI {  160}   (( segid    A and resid 23   and name  HA  ))   (  segid    A and resid 40   and name  HD# )      4.961     3.241     0.992 peak   160 weight  1.00000E+00 volume  7.94229E+06 ppm1      3.783 ppm2      6.965
 ASSI {  161}   (( segid    A and resid 23   and name  HA  ))   (( segid    A and resid 40   and name  HA  ))      3.344     1.624     0.669 peak   161 weight  1.00000E+00 volume  3.42299E+07 ppm1      3.782 ppm2      5.170
 ASSI {  162}   (( segid    A and resid 23   and name  HA  ))   (( segid    A and resid 24   and name  HA  ))      4.653     2.933     0.931 peak   162 weight  1.00000E+00 volume  5.83891E+06 ppm1      3.786 ppm2      4.394
 ASSI {  163}   (( segid    A and resid 23   and name  HA  ))   (( segid    A and resid 40   and name  HB1 ))      5.376     3.656     1.075 peak   163 weight  1.00000E+00 volume  2.45310E+06 ppm1      3.784 ppm2      2.900
 ASSI {  164}   (( segid    A and resid 23   and name  HA  ))   (( segid    A and resid 40   and name  HB2 ))      4.655     2.935     0.931 peak   164 weight  1.00000E+00 volume  5.81998E+06 ppm1      3.782 ppm2      2.672
 ASSI {  165}   (( segid    A and resid 23   and name  HA  ))   (( segid    A and resid 23   and name  HG1 ))      3.314     1.594     0.663 peak   165 weight  1.00000E+00 volume  4.55147E+06 ppm1      3.783 ppm2      1.996
 ASSI {  166}   (( segid    A and resid 23   and name  HA  ))   (( segid    A and resid 23   and name  HG2 ))      3.484     1.764     0.697 peak   166 weight  1.00000E+00 volume  6.38220E+06 ppm1      3.784 ppm2      1.833
 ASSI {  167}   (( segid    A and resid 23   and name  HA  ))   (  segid    A and resid 23   and name  HB# )      3.579     1.859     0.716 peak   167 weight  1.00000E+00 volume  4.52345E+07 ppm1      3.782 ppm2      1.551
 ASSI {  168}   (( segid    A and resid 45   and name  HA  ))   (( segid    A and resid 46   and name  HN  ))      2.938     1.218     0.588 peak   168 weight  1.00000E+00 volume  3.61177E+07 ppm1      5.105 ppm2      9.244
 ASSI {  169}   (( segid    A and resid 45   and name  HA  ))   (( segid    A and resid 45   and name  HN  ))      4.489     2.769     0.898 peak   169 weight  1.00000E+00 volume  7.23984E+06 ppm1      5.105 ppm2      9.000
 ASSI {  170}   (( segid    A and resid 45   and name  HA  ))   (( segid    A and resid 53   and name  HN  ))      4.154     2.434     0.831 peak   170 weight  1.00000E+00 volume  6.25855E+06 ppm1      5.106 ppm2      8.669
 ASSI {  171}   (( segid    A and resid 45   and name  HA  ))   (( segid    A and resid 52   and name  HA  ))      3.633     1.913     0.727 peak   171 weight  1.00000E+00 volume  2.16472E+07 ppm1      5.105 ppm2      5.867
 ASSI {  172}   (( segid    A and resid 45   and name  HA  ))   (( segid    A and resid 50   and name  HA  ))      5.848     4.128     1.152 peak   172 weight  1.00000E+00 volume  1.48113E+06 ppm1      5.102 ppm2      4.074
 ASSI {  174}   (( segid    A and resid 45   and name  HA  ))   (( segid    A and resid 46   and name  HB1 ))      4.750     3.030     0.950 peak   174 weight  1.00000E+00 volume  5.15760E+06 ppm1      5.104 ppm2      2.728
 ASSI {  175}   (( segid    A and resid 45   and name  HA  ))   (( segid    A and resid 52   and name  HB1 ))      5.431     3.711     1.086 peak   175 weight  1.00000E+00 volume  2.30729E+06 ppm1      5.105 ppm2      2.584
 ASSI {  176}   (( segid    A and resid 45   and name  HA  ))   (  segid    A and resid 45   and name  HG2#)      4.199     2.479     0.840 peak   176 weight  1.00000E+00 volume  2.59275E+07 ppm1      5.105 ppm2      0.973
 ASSI {  177}   (( segid    A and resid 45   and name  HA  ))   (  segid    A and resid 44   and name  HD1#)      5.646     3.926     1.129 peak   177 weight  1.00000E+00 volume  5.48436E+06 ppm1      5.107 ppm2      0.602
 ASSI {  178}   (( segid    A and resid 12   and name  HA  ))   (( segid    A and resid 13   and name  HN  ))      3.538     1.818     0.708 peak   178 weight  1.00000E+00 volume  7.44381E+06 ppm1      4.534 ppm2      8.186
 ASSI {  179}   (( segid    A and resid 12   and name  HA  ))   (( segid    A and resid 12   and name  HN  ))      3.557     1.837     0.711 peak   179 weight  1.00000E+00 volume  1.35865E+07 ppm1      4.533 ppm2      7.321
 ASSI {  180}   (( segid    A and resid 12   and name  HA  ))   (( segid    A and resid 13   and name  HA  ))      4.170     2.450     0.834 peak   180 weight  1.00000E+00 volume  2.53926E+06 ppm1      4.535 ppm2      4.715
 ASSI {  182}   (( segid    A and resid 12   and name  HA  ))   (( segid    A and resid 12   and name  HB  ))      3.345     1.625     0.669 peak   182 weight  1.00000E+00 volume  4.22576E+07 ppm1      4.533 ppm2      2.309
 ASSI {  183}   (( segid    A and resid 12   and name  HA  ))   (  segid    A and resid 11   and name  HB# )      5.525     3.805     1.105 peak   183 weight  1.00000E+00 volume  4.16255E+06 ppm1      4.532 ppm2      1.357
 ASSI {  184}   (( segid    A and resid 12   and name  HA  ))   (  segid    A and resid 12   and name  HG1#)      4.093     2.373     0.819 peak   184 weight  1.00000E+00 volume  3.37989E+07 ppm1      4.532 ppm2      0.818
 ASSI {  187}   (( segid    A and resid 31   and name  HA  ))   (( segid    A and resid 32   and name  HN  ))      3.888     2.168     0.778 peak   187 weight  1.00000E+00 volume  7.85666E+06 ppm1      4.409 ppm2      7.536
 ASSI {  188}   (( segid    A and resid 31   and name  HA  ))   (( segid    A and resid 30   and name  HN  ))      5.266     3.546     1.053 peak   188 weight  1.00000E+00 volume  2.77782E+06 ppm1      4.412 ppm2      7.328
 ASSI {  189}   (( segid    A and resid 31   and name  HA  ))   (( segid    A and resid 31   and name  HN  ))      3.615     1.895     0.723 peak   189 weight  1.00000E+00 volume  1.30959E+07 ppm1      4.410 ppm2      7.162
 ASSI {  190}   (( segid    A and resid 31   and name  HA  ))   (  segid    A and resid 30   and name  HB# )      5.340     3.620     1.068 peak   190 weight  1.00000E+00 volume  5.10583E+06 ppm1      4.410 ppm2      1.837
 ASSI {  191}   (( segid    A and resid 31   and name  HA  ))   (  segid    A and resid 31   and name  HG2#)      3.958     2.238     0.792 peak   191 weight  1.00000E+00 volume  4.62371E+07 ppm1      4.409 ppm2      0.950
 ASSI {  194}   (( segid    A and resid 48   and name  HA  ))   (( segid    A and resid 49   and name  HN  ))      4.424     2.704     0.885 peak   194 weight  1.00000E+00 volume  4.47396E+06 ppm1      4.589 ppm2     10.085
 ASSI {  195}   (( segid    A and resid 48   and name  HA  ))   (( segid    A and resid 48   and name  HN  ))      3.583     1.863     0.717 peak   195 weight  1.00000E+00 volume  1.37886E+07 ppm1      4.588 ppm2      8.913
 ASSI {  200}   (( segid    A and resid 38   and name  HA  ))   (( segid    A and resid 37   and name  HA  ))      5.046     3.326     1.009 peak   200 weight  1.00000E+00 volume  3.58727E+06 ppm1      4.856 ppm2      4.225
 ASSI {  201}   (( segid    A and resid 38   and name  HA  ))   (( segid    A and resid 37   and name  HB2 ))      5.313     3.593     1.063 peak   201 weight  1.00000E+00 volume  2.63326E+06 ppm1      4.856 ppm2      1.990
 ASSI {  202}   (( segid    A and resid 38   and name  HA  ))   (( segid    A and resid 38   and name  HN  ))      3.980     2.260     0.796 peak   202 weight  1.00000E+00 volume  8.13837E+06 ppm1      4.855 ppm2      8.919
 ASSI {  203}   (( segid    A and resid 38   and name  HA  ))   (( segid    A and resid 40   and name  HN  ))      5.062     3.342     1.012 peak   203 weight  1.00000E+00 volume  2.19389E+06 ppm1      4.852 ppm2      8.597
 ASSI {  204}   (( segid    A and resid 38   and name  HA  ))   (( segid    A and resid 39   and name  HN  ))      4.264     2.544     0.853 peak   204 weight  1.00000E+00 volume  4.73584E+06 ppm1      4.854 ppm2      7.974
 ASSI {  206}   (( segid    A and resid 38   and name  HA  ))   (  segid    A and resid 38   and name  HG2#)      4.004     2.284     0.801 peak   206 weight  1.00000E+00 volume  4.31327E+07 ppm1      4.855 ppm2      1.039
 ASSI {  207}   (( segid    A and resid 27   and name  HA  ))   (( segid    A and resid 27   and name  HN  ))      3.640     1.920     0.728 peak   207 weight  1.00000E+00 volume  5.74022E+06 ppm1      4.244 ppm2      8.144
 ASSI {  208}   (( segid    A and resid 27   and name  HA  ))   (( segid    A and resid 28   and name  HN  ))      4.092     2.372     0.818 peak   208 weight  1.00000E+00 volume  5.32920E+06 ppm1      4.245 ppm2      7.906
 ASSI {  209}   (( segid    A and resid 27   and name  HA  ))   (  segid    A and resid 27   and name  HE# )      5.225     3.505     1.045 peak   209 weight  1.00000E+00 volume  5.81845E+06 ppm1      4.245 ppm2      7.330
 ASSI {  210}   (( segid    A and resid 27   and name  HA  ))   (  segid    A and resid 27   and name  HD# )      4.580     2.860     0.916 peak   210 weight  1.00000E+00 volume  1.28373E+07 ppm1      4.247 ppm2      7.162
 ASSI {  211}   (( segid    A and resid 27   and name  HA  ))   (( segid    A and resid 28   and name  HA  ))      4.623     2.903     0.925 peak   211 weight  1.00000E+00 volume  2.14183E+06 ppm1      4.248 ppm2      3.728
 ASSI {  212}   (( segid    A and resid 27   and name  HA  ))   (( segid    A and resid 27   and name  HB1 ))      3.582     1.862     0.716 peak   212 weight  1.00000E+00 volume  2.80158E+07 ppm1      4.244 ppm2      3.172
 ASSI {  213}   (( segid    A and resid 27   and name  HA  ))   (( segid    A and resid 27   and name  HB2 ))      3.757     2.037     0.751 peak   213 weight  1.00000E+00 volume  2.10684E+07 ppm1      4.245 ppm2      2.902
 ASSI {  214}   (( segid    A and resid 27   and name  HA  ))   (  segid    A and resid 30   and name  HB# )      4.385     2.665     0.877 peak   214 weight  1.00000E+00 volume  1.17639E+07 ppm1      4.244 ppm2      1.846
 ASSI {  215}   (( segid    A and resid 27   and name  HA  ))   (  segid    A and resid 30   and name  HD# )      4.595     2.875     0.919 peak   215 weight  1.00000E+00 volume  6.82227E+06 ppm1      4.248 ppm2      1.625
 ASSI {  216}   (( segid    A and resid 41   and name  HA  ))   (( segid    A and resid 42   and name  HN  ))      3.063     1.343     0.613 peak   216 weight  1.00000E+00 volume  4.35672E+07 ppm1      5.143 ppm2      9.101
 ASSI {  217}   (( segid    A and resid 41   and name  HA  ))   (( segid    A and resid 41   and name  HN  ))      2.995     1.275     0.599 peak   217 weight  1.00000E+00 volume  1.07776E+07 ppm1      5.143 ppm2      8.510
 ASSI {  218}   (( segid    A and resid 41   and name  HA  ))   (( segid    A and resid 57   and name  HN  ))      3.526     1.806     0.705 peak   218 weight  1.00000E+00 volume  1.25142E+07 ppm1      5.144 ppm2      7.727
 ASSI {  219}   (( segid    A and resid 41   and name  HA  ))   (  segid    A and resid 54   and name  HD# )      6.013     4.293     0.987 peak   219 weight  1.00000E+00 volume  2.50599E+06 ppm1      5.142 ppm2      7.163
 ASSI {  220}   (( segid    A and resid 41   and name  HA  ))   (( segid    A and resid 56   and name  HA  ))      3.790     2.070     0.758 peak   220 weight  1.00000E+00 volume  1.74165E+07 ppm1      5.144 ppm2      4.555
 ASSI {  221}   (( segid    A and resid 41   and name  HA  ))   (( segid    A and resid 42   and name  HG2 ))      4.461     2.741     0.892 peak   221 weight  1.00000E+00 volume  7.51390E+06 ppm1      5.143 ppm2      2.207
 ASSI {  222}   (( segid    A and resid 41   and name  HA  ))   (( segid    A and resid 41   and name  HB  ))      3.490     1.770     0.698 peak   222 weight  1.00000E+00 volume  3.27717E+07 ppm1      5.143 ppm2      2.025
 ASSI {  223}   (( segid    A and resid 41   and name  HA  ))   (( segid    A and resid 42   and name  HB1 ))      5.169     3.449     1.034 peak   223 weight  1.00000E+00 volume  3.10407E+06 ppm1      5.141 ppm2      1.888
 ASSI {  224}   (( segid    A and resid 41   and name  HA  ))   (  segid    A and resid 41   and name  HG1#)      4.088     2.368     0.818 peak   224 weight  1.00000E+00 volume  3.80779E+07 ppm1      5.143 ppm2      0.610
 ASSI {  225}   (( segid    A and resid 41   and name  HA  ))   (( segid    A and resid 55   and name  HN  ))      4.586     2.866     0.917 peak   225 weight  1.00000E+00 volume  5.24280E+06 ppm1      5.141 ppm2      8.818
 ASSI {  226}   (( segid    A and resid 41   and name  HA  ))   (  segid    A and resid 54   and name  HB# )      5.220     3.500     1.044 peak   226 weight  1.00000E+00 volume  5.85328E+06 ppm1      5.141 ppm2      2.681
 ASSI {  227}   (( segid    A and resid 32   and name  HA  ))   (( segid    A and resid 31   and name  HN  ))      5.175     3.455     1.035 peak   227 weight  1.00000E+00 volume  3.08210E+06 ppm1      4.782 ppm2      7.169
 ASSI {  228}   (( segid    A and resid 32   and name  HA  ))   (( segid    A and resid 33   and name  HG2 ))      4.852     3.132     0.970 peak   228 weight  1.00000E+00 volume  4.24297E+06 ppm1      4.774 ppm2      2.114
 ASSI {  229}   (( segid    A and resid 32   and name  HA  ))   (( segid    A and resid 32   and name  HN  ))      3.475     1.755     0.695 peak   229 weight  1.00000E+00 volume  7.77560E+06 ppm1      4.772 ppm2      7.532
 ASSI {  230}   (( segid    A and resid 32   and name  HA  ))   (( segid    A and resid 33   and name  HD2 ))      3.296     1.576     0.659 peak   230 weight  1.00000E+00 volume  4.62161E+07 ppm1      4.772 ppm2      4.052
 ASSI {  231}   (( segid    A and resid 32   and name  HA  ))   (( segid    A and resid 33   and name  HD1 ))      3.370     1.650     0.674 peak   231 weight  1.00000E+00 volume  4.04595E+07 ppm1      4.771 ppm2      3.814
 ASSI {  232}   (( segid    A and resid 32   and name  HA  ))   (( segid    A and resid 33   and name  HG1 ))      4.460     2.740     0.892 peak   232 weight  1.00000E+00 volume  7.52729E+06 ppm1      4.769 ppm2      1.969
 ASSI {  233}   (( segid    A and resid 32   and name  HA  ))   (  segid    A and resid 32   and name  HG2#)      4.250     2.530     0.850 peak   233 weight  1.00000E+00 volume  2.78575E+07 ppm1      4.771 ppm2      0.808
 ASSI {  234}   (( segid    A and resid 56   and name  HA  ))   (( segid    A and resid 42   and name  HN  ))      4.573     2.853     0.915 peak   234 weight  1.00000E+00 volume  6.13627E+06 ppm1      4.564 ppm2      9.093
 ASSI {  236}   (( segid    A and resid 56   and name  HA  ))   (( segid    A and resid 57   and name  HN  ))      2.955     1.235     0.591 peak   236 weight  1.00000E+00 volume  3.80448E+07 ppm1      4.564 ppm2      7.728
 ASSI {  240}   (( segid    A and resid 56   and name  HA  ))   (( segid    A and resid 34   and name  HG1 ))      5.044     3.324     1.009 peak   240 weight  1.00000E+00 volume  2.82928E+06 ppm1      4.567 ppm2      2.741
 ASSI {  241}   (( segid    A and resid 56   and name  HA  ))   (( segid    A and resid 34   and name  HB1 ))      4.252     2.532     0.850 peak   241 weight  1.00000E+00 volume  1.00256E+07 ppm1      4.563 ppm2      2.014
 ASSI {  242}   (( segid    A and resid 56   and name  HA  ))   (  segid    A and resid 38   and name  HG2#)      5.899     4.179     1.101 peak   242 weight  1.00000E+00 volume  4.21583E+06 ppm1      4.564 ppm2      1.032
 ASSI {  243}   (( segid    A and resid 56   and name  HA  ))   (  segid    A and resid 41   and name  HG1#)      4.401     2.681     0.880 peak   243 weight  1.00000E+00 volume  2.44514E+07 ppm1      4.563 ppm2      0.603
 ASSI {  244}   (( segid    A and resid 56   and name  HA  ))   (( segid    A and resid 56   and name  HN  ))      4.193     2.473     0.839 peak   244 weight  1.00000E+00 volume  1.08941E+07 ppm1      4.562 ppm2      9.232
 ASSI {  245}   (( segid    A and resid 49   and name  HA  ))   (( segid    A and resid 48   and name  HN  ))      5.421     3.701     1.084 peak   245 weight  1.00000E+00 volume  2.25034E+06 ppm1      4.210 ppm2      8.929
 ASSI {  246}   (( segid    A and resid 34   and name  HA  ))   (( segid    A and resid 34   and name  HN  ))      3.842     2.122     0.768 peak   246 weight  1.00000E+00 volume  1.22618E+07 ppm1      4.141 ppm2      9.523
 ASSI {  247}   (( segid    A and resid 34   and name  HA  ))   (( segid    A and resid 37   and name  HD1 ))      4.078     2.358     0.816 peak   247 weight  1.00000E+00 volume  8.14039E+06 ppm1      4.139 ppm2      3.642
 ASSI {  248}   (( segid    A and resid 34   and name  HA  ))   (( segid    A and resid 34   and name  HG1 ))      3.921     2.201     0.784 peak   248 weight  1.00000E+00 volume  1.62896E+07 ppm1      4.142 ppm2      2.764
 ASSI {  249}   (( segid    A and resid 34   and name  HA  ))   (( segid    A and resid 34   and name  HG2 ))      3.682     1.962     0.736 peak   249 weight  1.00000E+00 volume  2.37780E+07 ppm1      4.140 ppm2      2.485
 ASSI {  250}   (( segid    A and resid 34   and name  HA  ))   (( segid    A and resid 34   and name  HB1 ))      3.626     1.906     0.725 peak   250 weight  1.00000E+00 volume  2.60557E+07 ppm1      4.142 ppm2      2.002
 ASSI {  251}   (( segid    A and resid 34   and name  HA  ))   (( segid    A and resid 34   and name  HB2 ))      3.932     2.212     0.786 peak   251 weight  1.00000E+00 volume  1.60236E+07 ppm1      4.141 ppm2      1.755
 ASSI {  252}   (( segid    A and resid 34   and name  HA  ))   (  segid    A and resid 32   and name  HG2#)      4.093     2.373     0.819 peak   252 weight  1.00000E+00 volume  3.98915E+06 ppm1      4.143 ppm2      0.805
 ASSI {  253}   (( segid    A and resid 34   and name  HA  ))   (  segid    A and resid 41   and name  HG1#)      4.314     2.594     0.863 peak   253 weight  1.00000E+00 volume  5.55368E+06 ppm1      4.143 ppm2      0.604
 ASSI {  254}   (( segid    A and resid 34   and name  HA  ))   (( segid    A and resid 36   and name  HN  ))      4.853     3.133     0.971 peak   254 weight  1.00000E+00 volume  4.53457E+06 ppm1      4.140 ppm2      8.204
 ASSI {  255}   (( segid    A and resid 34   and name  HA  ))   (( segid    A and resid 35   and name  HN  ))      4.153     2.433     0.831 peak   255 weight  1.00000E+00 volume  5.15986E+06 ppm1      4.139 ppm2      7.886
 ASSI {  257}   (( segid    A and resid 16   and name  HA  ))   (  segid    A and resid 15   and name  HB# )      4.586     2.866     0.917 peak   257 weight  1.00000E+00 volume  4.37338E+06 ppm1      4.510 ppm2      2.920
 ASSI {  258}   (( segid    A and resid 16   and name  HA  ))   (( segid    A and resid 17   and name  HN  ))      2.847     1.127     0.569 peak   258 weight  1.00000E+00 volume  6.08956E+07 ppm1      4.506 ppm2      8.765
 ASSI {  259}   (( segid    A and resid 16   and name  HA  ))   (( segid    A and resid 16   and name  HN  ))      3.570     1.850     0.714 peak   259 weight  1.00000E+00 volume  1.13361E+07 ppm1      4.506 ppm2      8.451
 ASSI {  260}   (( segid    A and resid 16   and name  HA  ))   (( segid    A and resid 15   and name  HA  ))      3.647     1.927     0.729 peak   260 weight  1.00000E+00 volume  9.96258E+05 ppm1      4.507 ppm2      5.561
 ASSI {  261}   (( segid    A and resid 16   and name  HA  ))   (( segid    A and resid 44   and name  HA  ))      6.847     5.127     0.153 peak   261 weight  1.00000E+00 volume  -5.74502E+05 ppm1      4.507 ppm2      5.150
 ASSI {  262}   (( segid    A and resid 16   and name  HA  ))   (( segid    A and resid 16   and name  HB  ))      3.320     1.600     0.664 peak   262 weight  1.00000E+00 volume  4.42136E+07 ppm1      4.505 ppm2      2.013
 ASSI {  263}   (( segid    A and resid 16   and name  HA  ))   (  segid    A and resid 16   and name  HG2#)      3.938     2.218     0.788 peak   263 weight  1.00000E+00 volume  4.76141E+07 ppm1      4.506 ppm2      0.829
 ASSI {  265}   (( segid    A and resid 49   and name  HA  ))   (( segid    A and resid 51   and name  HN  ))      5.167     3.447     1.033 peak   265 weight  1.00000E+00 volume  3.11320E+06 ppm1      4.211 ppm2      7.281
 ASSI {  266}   (( segid    A and resid 49   and name  HA  ))   (( segid    A and resid 49   and name  HN  ))      4.049     2.329     0.810 peak   266 weight  1.00000E+00 volume  1.34368E+07 ppm1      4.205 ppm2     10.079
 ASSI {  267}   (( segid    A and resid 49   and name  HA  ))   (( segid    A and resid 50   and name  HN  ))      3.957     2.237     0.791 peak   267 weight  1.00000E+00 volume  8.71026E+06 ppm1      4.203 ppm2      7.615
 ASSI {  268}   (( segid    A and resid 49   and name  HA  ))   (( segid    A and resid 49   and name  HB2 ))      3.168     1.448     0.634 peak   268 weight  1.00000E+00 volume  5.04711E+07 ppm1      4.204 ppm2      3.897
 ASSI {  269}   (( segid    A and resid 49   and name  HA  ))   (  segid    A and resid 51   and name  HG# )      4.682     2.962     0.936 peak   269 weight  1.00000E+00 volume  4.92842E+06 ppm1      4.206 ppm2      1.648
 ASSI {  271}   (( segid    A and resid 16   and name  HA  ))   (  segid    A and resid 15   and name  HD# )      5.383     3.663     1.077 peak   271 weight  1.00000E+00 volume  4.86590E+06 ppm1      4.505 ppm2      7.208
 ASSI {  272}   (( segid    A and resid 9    and name  HA  ))   (( segid    A and resid 9    and name  HN  ))      3.733     2.013     0.747 peak   272 weight  1.00000E+00 volume  1.77058E+07 ppm1      4.256 ppm2      9.668
 ASSI {  273}   (( segid    A and resid 9    and name  HA  ))   (( segid    A and resid 12   and name  HN  ))      4.826     3.106     0.965 peak   273 weight  1.00000E+00 volume  4.69000E+06 ppm1      4.259 ppm2      7.324
 ASSI {  274}   (( segid    A and resid 9    and name  HA  ))   (( segid    A and resid 11   and name  HN  ))      4.759     3.039     0.952 peak   274 weight  1.00000E+00 volume  5.09840E+06 ppm1      4.257 ppm2      6.982
 ASSI {  275}   (( segid    A and resid 9    and name  HA  ))   (( segid    A and resid 10   and name  HN  ))      4.168     2.448     0.834 peak   275 weight  1.00000E+00 volume  5.89278E+06 ppm1      4.258 ppm2      6.694
 ASSI {  276}   (( segid    A and resid 9    and name  HA  ))   (( segid    A and resid 9    and name  HB1 ))      3.376     1.656     0.675 peak   276 weight  1.00000E+00 volume  4.00332E+07 ppm1      4.257 ppm2      3.640
 ASSI {  277}   (( segid    A and resid 9    and name  HA  ))   (( segid    A and resid 9    and name  HB2 ))      3.409     1.689     0.682 peak   277 weight  1.00000E+00 volume  3.77657E+07 ppm1      4.257 ppm2      3.099
 ASSI {  278}   (( segid    A and resid 9    and name  HA  ))   (  segid    A and resid 11   and name  HB# )      6.209     4.489     0.791 peak   278 weight  1.00000E+00 volume  2.06650E+06 ppm1      4.263 ppm2      1.381
 ASSI {  279}   (( segid    A and resid 9    and name  HA  ))   (  segid    A and resid 12   and name  HG2#)      4.450     2.730     0.890 peak   279 weight  1.00000E+00 volume  2.28920E+07 ppm1      4.256 ppm2      0.925
 ASSI {  280}   (( segid    A and resid 9    and name  HA  ))   (( segid    A and resid 13   and name  HN  ))      5.365     3.645     1.073 peak   280 weight  1.00000E+00 volume  2.48276E+06 ppm1      4.254 ppm2      8.197
 ASSI {  281}   (( segid    A and resid 9    and name  HA  ))   (( segid    A and resid 13   and name  HG2 ))      4.854     3.134     0.971 peak   281 weight  1.00000E+00 volume  4.52535E+06 ppm1      4.257 ppm2      2.367
 ASSI {  282}   (( segid    A and resid 35   and name  HA  ))   (( segid    A and resid 40   and name  HN  ))      5.537     3.817     1.107 peak   282 weight  1.00000E+00 volume  2.05506E+06 ppm1      4.018 ppm2      8.577
 ASSI {  283}   (( segid    A and resid 35   and name  HA  ))   (( segid    A and resid 24   and name  HB1 ))      4.555     2.835     0.911 peak   283 weight  1.00000E+00 volume  3.26693E+06 ppm1      4.018 ppm2      3.689
 ASSI {  284}   (( segid    A and resid 35   and name  HA  ))   (( segid    A and resid 36   and name  HN  ))      4.876     3.156     0.975 peak   284 weight  1.00000E+00 volume  4.40393E+06 ppm1      4.011 ppm2      8.203
 ASSI {  285}   (( segid    A and resid 35   and name  HA  ))   (( segid    A and resid 35   and name  HN  ))      3.539     1.819     0.708 peak   285 weight  1.00000E+00 volume  1.22491E+07 ppm1      4.011 ppm2      7.891
 ASSI {  286}   (( segid    A and resid 35   and name  HA  ))   (( segid    A and resid 35   and name  HB1 ))      3.989     2.269     0.798 peak   286 weight  1.00000E+00 volume  1.46915E+07 ppm1      4.011 ppm2      3.328
 ASSI {  287}   (( segid    A and resid 35   and name  HA  ))   (( segid    A and resid 35   and name  HB2 ))      3.816     2.096     0.763 peak   287 weight  1.00000E+00 volume  1.91658E+07 ppm1      4.011 ppm2      3.026
 ASSI {  288}   (( segid    A and resid 35   and name  HA  ))   (( segid    A and resid 34   and name  HB1 ))      4.786     3.066     0.957 peak   288 weight  1.00000E+00 volume  4.92712E+06 ppm1      4.013 ppm2      2.019
 ASSI {  289}   (( segid    A and resid 35   and name  HA  ))   (( segid    A and resid 34   and name  HB2 ))      5.357     3.637     1.071 peak   289 weight  1.00000E+00 volume  2.50703E+06 ppm1      4.014 ppm2      1.768
 ASSI {  290}   (( segid    A and resid 35   and name  HA  ))   (  segid    A and resid 29   and name  HB# )      6.547     4.827     0.453 peak   290 weight  1.00000E+00 volume  2.25695E+06 ppm1      4.012 ppm2      1.352
 ASSI {  291}   (( segid    A and resid 35   and name  HA  ))   (  segid    A and resid 41   and name  HG1#)      4.213     2.493     0.843 peak   291 weight  1.00000E+00 volume  3.17693E+07 ppm1      4.012 ppm2      0.601
 ASSI {  292}   (( segid    A and resid 28   and name  HA  ))   (  segid    A and resid 31   and name  HG2#)      6.013     4.293     0.987 peak   292 weight  1.00000E+00 volume  3.75992E+06 ppm1      3.759 ppm2      0.949
 ASSI {  293}   (( segid    A and resid 28   and name  HA  ))   (  segid    A and resid 32   and name  HG2#)      5.455     3.735     1.091 peak   293 weight  1.00000E+00 volume  2.40909E+06 ppm1      3.760 ppm2      0.805
 ASSI {  294}   (( segid    A and resid 28   and name  HA  ))   (( segid    A and resid 29   and name  HN  ))      4.026     2.306     0.805 peak   294 weight  1.00000E+00 volume  7.11564E+06 ppm1      3.755 ppm2      8.692
 ASSI {  295}   (( segid    A and resid 28   and name  HA  ))   (( segid    A and resid 28   and name  HN  ))      3.560     1.840     0.712 peak   295 weight  1.00000E+00 volume  1.29371E+07 ppm1      3.757 ppm2      7.902
 ASSI {  296}   (( segid    A and resid 28   and name  HA  ))   (( segid    A and resid 30   and name  HN  ))      4.858     3.138     0.972 peak   296 weight  1.00000E+00 volume  3.23041E+06 ppm1      3.757 ppm2      7.310
 ASSI {  297}   (( segid    A and resid 28   and name  HA  ))   (  segid    A and resid 27   and name  HD# )      5.064     3.344     1.013 peak   297 weight  1.00000E+00 volume  7.02713E+06 ppm1      3.756 ppm2      7.181
 ASSI {  299}   (( segid    A and resid 28   and name  HA  ))   (( segid    A and resid 28   and name  HD1 ))      4.742     3.022     0.948 peak   299 weight  1.00000E+00 volume  5.21066E+06 ppm1      3.759 ppm2      2.888
 ASSI {  300}   (( segid    A and resid 28   and name  HA  ))   (( segid    A and resid 28   and name  HD2 ))      4.378     2.658     0.876 peak   300 weight  1.00000E+00 volume  8.40833E+06 ppm1      3.758 ppm2      2.631
 ASSI {  301}   (( segid    A and resid 28   and name  HA  ))   (( segid    A and resid 28   and name  HB1 ))      3.664     1.944     0.733 peak   301 weight  1.00000E+00 volume  2.44789E+07 ppm1      3.757 ppm2      1.876
 ASSI {  302}   (( segid    A and resid 28   and name  HA  ))   (( segid    A and resid 28   and name  HB2 ))      3.946     2.226     0.789 peak   302 weight  1.00000E+00 volume  1.56951E+07 ppm1      3.757 ppm2      1.705
 ASSI {  303}   (( segid    A and resid 28   and name  HA  ))   (  segid    A and resid 28   and name  HG# )      4.092     2.372     0.818 peak   303 weight  1.00000E+00 volume  2.52109E+07 ppm1      3.757 ppm2      1.457
 ASSI {  315}   (  segid    A and resid 40   and name  HD# )   (( segid    A and resid 23   and name  HD2 ))      5.092     3.372     1.018 peak   315 weight  1.00000E+00 volume  2.20627E+06 ppm1      6.953 ppm2      3.752
 ASSI {  319}   (( segid    A and resid 54   and name  HA  ))   (( segid    A and resid 44   and name  HN  ))      4.079     2.359     0.816 peak   319 weight  1.00000E+00 volume  7.20209E+06 ppm1      5.401 ppm2      9.275
 ASSI {  320}   (( segid    A and resid 54   and name  HA  ))   (( segid    A and resid 42   and name  HN  ))      4.788     3.068     0.958 peak   320 weight  1.00000E+00 volume  3.27119E+06 ppm1      5.401 ppm2      9.099
 ASSI {  321}   (( segid    A and resid 54   and name  HA  ))   (( segid    A and resid 55   and name  HN  ))      3.045     1.325     0.609 peak   321 weight  1.00000E+00 volume  3.47763E+07 ppm1      5.401 ppm2      8.823
 ASSI {  323}   (( segid    A and resid 54   and name  HA  ))   (( segid    A and resid 43   and name  HA  ))      3.840     2.120     0.768 peak   323 weight  1.00000E+00 volume  1.80764E+07 ppm1      5.401 ppm2      4.820
 ASSI {  324}   (( segid    A and resid 54   and name  HA  ))   (( segid    A and resid 55   and name  HA  ))      4.939     3.219     0.988 peak   324 weight  1.00000E+00 volume  4.07946E+06 ppm1      5.401 ppm2      4.644
 ASSI {  325}   (( segid    A and resid 54   and name  HA  ))   (  segid    A and resid 54   and name  HB# )      4.138     2.418     0.828 peak   325 weight  1.00000E+00 volume  2.35860E+07 ppm1      5.403 ppm2      2.683
 ASSI {  326}   (( segid    A and resid 54   and name  HA  ))   (( segid    A and resid 43   and name  HB2 ))      4.876     3.156     0.975 peak   326 weight  1.00000E+00 volume  4.40643E+06 ppm1      5.403 ppm2      1.583
 ASSI {  328}   (( segid    A and resid 54   and name  HA  ))   (( segid    A and resid 41   and name  HB  ))      4.845     3.125     0.969 peak   328 weight  1.00000E+00 volume  4.57708E+06 ppm1      5.400 ppm2      2.029
 ASSI {  330}   (( segid    A and resid 44   and name  HA  ))   (( segid    A and resid 44   and name  HN  ))      3.953     2.233     0.791 peak   330 weight  1.00000E+00 volume  7.23391E+06 ppm1      5.164 ppm2      9.278
 ASSI {  331}   (( segid    A and resid 44   and name  HA  ))   (( segid    A and resid 45   and name  HN  ))      3.007     1.287     0.601 peak   331 weight  1.00000E+00 volume  3.38516E+07 ppm1      5.163 ppm2      9.006
 ASSI {  332}   (( segid    A and resid 44   and name  HA  ))   (( segid    A and resid 19   and name  HN  ))      4.372     2.652     0.874 peak   332 weight  1.00000E+00 volume  5.50084E+06 ppm1      5.167 ppm2      7.863
 ASSI {  333}   (( segid    A and resid 44   and name  HA  ))   (  segid    A and resid 15   and name  HD# )      5.558     3.838     1.112 peak   333 weight  1.00000E+00 volume  4.01876E+06 ppm1      5.164 ppm2      7.197
 ASSI {  335}   (( segid    A and resid 44   and name  HA  ))   (( segid    A and resid 44   and name  HB  ))      3.778     2.058     0.756 peak   335 weight  1.00000E+00 volume  2.03803E+07 ppm1      5.164 ppm2      1.908
 ASSI {  336}   (( segid    A and resid 44   and name  HA  ))   (  segid    A and resid 18   and name  HB# )      5.078     3.358     1.016 peak   336 weight  1.00000E+00 volume  9.73968E+06 ppm1      5.163 ppm2      1.211
 ASSI {  337}   (( segid    A and resid 44   and name  HA  ))   (  segid    A and resid 17   and name  HG2#)      4.424     2.704     0.885 peak   337 weight  1.00000E+00 volume  7.62411E+06 ppm1      5.165 ppm2      0.973
 ASSI {  338}   (( segid    A and resid 44   and name  HA  ))   (  segid    A and resid 44   and name  HG2#)      4.100     2.380     0.820 peak   338 weight  1.00000E+00 volume  3.74225E+07 ppm1      5.164 ppm2      0.676
 ASSI {  339}   (( segid    A and resid 24   and name  HA  ))   (  segid    A and resid 41   and name  HG2#)      5.694     3.974     1.139 peak   339 weight  1.00000E+00 volume  5.21136E+06 ppm1      4.406 ppm2      0.692
 ASSI {  340}   (( segid    A and resid 24   and name  HA  ))   (( segid    A and resid 25   and name  HN  ))      3.021     1.301     0.604 peak   340 weight  1.00000E+00 volume  2.53334E+07 ppm1      4.404 ppm2      8.711
 ASSI {  341}   (( segid    A and resid 24   and name  HA  ))   (( segid    A and resid 24   and name  HB1 ))      3.877     2.157     0.775 peak   341 weight  1.00000E+00 volume  1.74466E+07 ppm1      4.405 ppm2      3.687
 ASSI {  342}   (( segid    A and resid 24   and name  HA  ))   (( segid    A and resid 24   and name  HB2 ))      3.621     1.901     0.724 peak   342 weight  1.00000E+00 volume  2.62657E+07 ppm1      4.406 ppm2      2.629
 ASSI {  343}   (( segid    A and resid 24   and name  HA  ))   (( segid    A and resid 28   and name  HB2 ))      4.399     2.679     0.880 peak   343 weight  1.00000E+00 volume  8.16756E+06 ppm1      4.404 ppm2      1.702
 ASSI {  344}   (( segid    A and resid 24   and name  HA  ))   (  segid    A and resid 28   and name  HG# )      4.834     3.114     0.967 peak   344 weight  1.00000E+00 volume  9.28672E+06 ppm1      4.404 ppm2      1.468
 ASSI {  345}   (( segid    A and resid 9    and name  HA  ))   (( segid    A and resid 13   and name  HB1 ))      5.027     3.307     1.005 peak   345 weight  1.00000E+00 volume  3.67104E+06 ppm1      4.260 ppm2      2.097
 ASSI {  346}   (( segid    A and resid 30   and name  HA  ))   (( segid    A and resid 30   and name  HN  ))      3.365     1.645     0.673 peak   346 weight  1.00000E+00 volume  1.94323E+07 ppm1      4.079 ppm2      7.312
 ASSI {  347}   (( segid    A and resid 30   and name  HA  ))   (( segid    A and resid 31   and name  HN  ))      3.967     2.247     0.793 peak   347 weight  1.00000E+00 volume  5.88642E+06 ppm1      4.079 ppm2      7.155
 ASSI {  349}   (( segid    A and resid 30   and name  HA  ))   (  segid    A and resid 30   and name  HB# )      3.658     1.938     0.732 peak   349 weight  1.00000E+00 volume  4.94678E+07 ppm1      4.079 ppm2      1.832
 ASSI {  350}   (( segid    A and resid 30   and name  HA  ))   (  segid    A and resid 30   and name  HD# )      4.443     2.723     0.889 peak   350 weight  1.00000E+00 volume  1.29872E+07 ppm1      4.080 ppm2      1.615
 ASSI {  351}   (( segid    A and resid 30   and name  HA  ))   (( segid    A and resid 30   and name  HG2 ))      4.000     2.280     0.800 peak   351 weight  1.00000E+00 volume  1.44556E+07 ppm1      4.079 ppm2      1.465
 ASSI {  353}   (( segid    A and resid 40   and name  HA  ))   (( segid    A and resid 40   and name  HB1 ))      4.159     2.439     0.832 peak   353 weight  1.00000E+00 volume  1.14407E+07 ppm1      5.164 ppm2      2.902
 ASSI {  355}   (( segid    A and resid 25   and name  HA  ))   (( segid    A and resid 25   and name  HB2 ))      3.629     1.909     0.726 peak   355 weight  1.00000E+00 volume  2.59383E+07 ppm1      4.433 ppm2      4.101
 ASSI {  359}   (( segid    A and resid 21   and name  HA  ))   (( segid    A and resid 21   and name  HN  ))      3.594     1.874     0.719 peak   359 weight  1.00000E+00 volume  1.67465E+07 ppm1      4.387 ppm2      9.080
 ASSI {  360}   (( segid    A and resid 21   and name  HA  ))   (( segid    A and resid 22   and name  HN  ))      2.869     1.149     0.574 peak   360 weight  1.00000E+00 volume  4.33687E+07 ppm1      4.387 ppm2      8.916
 ASSI {  361}   (( segid    A and resid 21   and name  HA  ))   (( segid    A and resid 41   and name  HN  ))      4.412     2.692     0.882 peak   361 weight  1.00000E+00 volume  7.90637E+06 ppm1      4.388 ppm2      8.516
 ASSI {  362}   (( segid    A and resid 21   and name  HA  ))   (( segid    A and resid 41   and name  HA  ))      4.623     2.903     0.925 peak   362 weight  1.00000E+00 volume  6.06734E+06 ppm1      4.386 ppm2      5.137
 ASSI {  363}   (( segid    A and resid 21   and name  HA  ))   (( segid    A and resid 42   and name  HA  ))      3.980     2.260     0.796 peak   363 weight  1.00000E+00 volume  1.48895E+07 ppm1      4.388 ppm2      4.767
 ASSI {  364}   (( segid    A and resid 21   and name  HA  ))   (( segid    A and resid 21   and name  HB1 ))      3.803     2.083     0.761 peak   364 weight  1.00000E+00 volume  1.95911E+07 ppm1      4.389 ppm2      3.146
 ASSI {  365}   (( segid    A and resid 21   and name  HA  ))   (( segid    A and resid 21   and name  HB2 ))      3.683     1.963     0.737 peak   365 weight  1.00000E+00 volume  2.37197E+07 ppm1      4.389 ppm2      2.917
 ASSI {  366}   (( segid    A and resid 21   and name  HA  ))   (( segid    A and resid 42   and name  HB1 ))      3.431     1.711     0.686 peak   366 weight  1.00000E+00 volume  3.63030E+07 ppm1      4.389 ppm2      1.891
 ASSI {  367}   (( segid    A and resid 59   and name  HA  ))   (  segid    A and resid 40   and name  HD# )      6.137     4.417     0.863 peak   367 weight  1.00000E+00 volume  2.21600E+06 ppm1      3.878 ppm2      6.943
 ASSI {  368}   (( segid    A and resid 59   and name  HA  ))   (( segid    A and resid 60   and name  HA  ))      4.313     2.593     0.863 peak   368 weight  1.00000E+00 volume  9.20454E+06 ppm1      3.878 ppm2      4.191
 ASSI {  371}   (( segid    A and resid 59   and name  HA  ))   (  segid    A and resid 60   and name  HB# )      5.812     4.092     1.162 peak   371 weight  1.00000E+00 volume  4.61166E+06 ppm1      3.878 ppm2      1.351
 ASSI {  373}   (( segid    A and resid 59   and name  HA  ))   (( segid    A and resid 58   and name  HN  ))      6.182     4.462     0.818 peak   373 weight  1.00000E+00 volume  1.06139E+06 ppm1      3.873 ppm2      8.492
 ASSI {  374}   (( segid    A and resid 59   and name  HA  ))   (( segid    A and resid 60   and name  HN  ))      3.068     1.348     0.614 peak   374 weight  1.00000E+00 volume  2.45282E+07 ppm1      3.874 ppm2      8.013
 ASSI {  375}   (( segid    A and resid 59   and name  HA  ))   (( segid    A and resid 59   and name  HN  ))      3.743     2.023     0.749 peak   375 weight  1.00000E+00 volume  8.99638E+06 ppm1      3.873 ppm2      7.740
 ASSI {  381}   (  segid    A and resid 7    and name  HE# )   (( segid    A and resid 7    and name  HB1 ))      5.489     3.769     1.098 peak   381 weight  1.00000E+00 volume  1.05427E+06 ppm1      7.267 ppm2      2.902
 ASSI {  382}   (  segid    A and resid 7    and name  HE# )   (  segid    A and resid 5    and name  HG# )      6.472     4.752     0.528 peak   382 weight  1.00000E+00 volume  3.22416E+06 ppm1      7.273 ppm2      1.359
 ASSI {  383}   (  segid    A and resid 7    and name  HE# )   (( segid    A and resid 7    and name  HA  ))      5.341     3.621     1.068 peak   383 weight  1.00000E+00 volume  1.77953E+06 ppm1      7.265 ppm2      4.751
 ASSI {  385}   (  segid    A and resid 54   and name  HD# )   (( segid    A and resid 43   and name  HB2 ))      5.274     3.554     1.055 peak   385 weight  1.00000E+00 volume  3.86455E+06 ppm1      7.171 ppm2      1.614
 ASSI {  394}   (( segid    A and resid 40   and name  HA  ))   (( segid    A and resid 24   and name  HN  ))      3.538     1.818     0.708 peak   394 weight  1.00000E+00 volume  1.52372E+07 ppm1      5.168 ppm2      8.757
 ASSI {  395}   (( segid    A and resid 40   and name  HA  ))   (( segid    A and resid 41   and name  HN  ))      2.989     1.269     0.598 peak   395 weight  1.00000E+00 volume  3.52954E+07 ppm1      5.167 ppm2      8.510
 ASSI {  396}   (( segid    A and resid 40   and name  HA  ))   (( segid    A and resid 40   and name  HB2 ))      3.962     2.242     0.792 peak   396 weight  1.00000E+00 volume  1.53111E+07 ppm1      5.166 ppm2      2.689
 ASSI {  397}   (( segid    A and resid 40   and name  HA  ))   (  segid    A and resid 23   and name  HB# )      4.701     2.981     0.940 peak   397 weight  1.00000E+00 volume  8.02038E+06 ppm1      5.166 ppm2      1.547
 ASSI {  399}   (( segid    A and resid 22   and name  HA  ))   (( segid    A and resid 21   and name  HA  ))      4.833     3.113     0.967 peak   399 weight  1.00000E+00 volume  4.64663E+06 ppm1      5.140 ppm2      4.398
 ASSI {  400}   (( segid    A and resid 22   and name  HA  ))   (( segid    A and resid 23   and name  HD2 ))      3.065     1.345     0.613 peak   400 weight  1.00000E+00 volume  7.14243E+07 ppm1      5.135 ppm2      3.714
 ASSI {  401}   (( segid    A and resid 22   and name  HA  ))   (( segid    A and resid 23   and name  HG1 ))      4.627     2.907     0.925 peak   401 weight  1.00000E+00 volume  6.03346E+06 ppm1      5.135 ppm2      2.000
 ASSI {  402}   (( segid    A and resid 22   and name  HA  ))   (( segid    A and resid 23   and name  HG2 ))      4.546     2.826     0.909 peak   402 weight  1.00000E+00 volume  6.71274E+06 ppm1      5.136 ppm2      1.838
 ASSI {  403}   (( segid    A and resid 22   and name  HA  ))   (( segid    A and resid 22   and name  HN  ))      3.651     1.931     0.730 peak   403 weight  1.00000E+00 volume  1.12611E+07 ppm1      5.134 ppm2      8.920
 ASSI {  405}   (( segid    A and resid 10   and name  HA  ))   (( segid    A and resid 13   and name  HN  ))      4.219     2.499     0.844 peak   405 weight  1.00000E+00 volume  1.04987E+07 ppm1      4.512 ppm2      8.189
 ASSI {  406}   (( segid    A and resid 10   and name  HA  ))   (( segid    A and resid 12   and name  HN  ))      3.557     1.837     0.711 peak   406 weight  1.00000E+00 volume  9.14615E+06 ppm1      4.512 ppm2      7.350
 ASSI {  408}   (( segid    A and resid 10   and name  HA  ))   (( segid    A and resid 11   and name  HN  ))      4.250     2.530     0.850 peak   408 weight  1.00000E+00 volume  6.01498E+06 ppm1      4.512 ppm2      6.985
 ASSI {  409}   (( segid    A and resid 10   and name  HA  ))   (( segid    A and resid 10   and name  HN  ))      3.705     1.985     0.741 peak   409 weight  1.00000E+00 volume  1.27348E+07 ppm1      4.511 ppm2      6.686
 ASSI {  411}   (( segid    A and resid 10   and name  HA  ))   (( segid    A and resid 10   and name  HB2 ))      3.352     1.632     0.670 peak   411 weight  1.00000E+00 volume  4.17857E+07 ppm1      4.512 ppm2      2.880
 ASSI {  413}   (( segid    A and resid 10   and name  HA  ))   (( segid    A and resid 10   and name  HB1 ))      3.387     1.667     0.677 peak   413 weight  1.00000E+00 volume  3.92123E+07 ppm1      4.512 ppm2      2.151
 ASSI {  414}   (( segid    A and resid 10   and name  HA  ))   (  segid    A and resid 44   and name  HD1#)      5.072     3.352     1.014 peak   414 weight  1.00000E+00 volume  1.04382E+07 ppm1      4.515 ppm2      0.617
 ASSI {  415}   (( segid    A and resid 14   and name  HA  ))   (( segid    A and resid 15   and name  HN  ))      2.745     1.025     0.549 peak   415 weight  1.00000E+00 volume  5.88903E+07 ppm1      4.387 ppm2      8.101
 ASSI {  416}   (( segid    A and resid 14   and name  HA  ))   (  segid    A and resid 15   and name  HD# )      4.987     3.267     0.997 peak   416 weight  1.00000E+00 volume  7.69825E+06 ppm1      4.386 ppm2      7.196
 ASSI {  417}   (( segid    A and resid 14   and name  HA  ))   (( segid    A and resid 14   and name  HG2 ))      3.733     2.013     0.747 peak   417 weight  1.00000E+00 volume  2.18759E+07 ppm1      4.388 ppm2      2.291
 ASSI {  418}   (( segid    A and resid 14   and name  HA  ))   (( segid    A and resid 14   and name  HB2 ))      3.465     1.745     0.693 peak   418 weight  1.00000E+00 volume  3.42409E+07 ppm1      4.386 ppm2      2.053
 ASSI {  419}   (( segid    A and resid 26   and name  HA  ))   (( segid    A and resid 29   and name  HN  ))      4.091     2.371     0.818 peak   419 weight  1.00000E+00 volume  6.74602E+06 ppm1      4.340 ppm2      8.682
 ASSI {  420}   (( segid    A and resid 26   and name  HA  ))   (( segid    A and resid 30   and name  HN  ))      4.843     3.123     0.969 peak   420 weight  1.00000E+00 volume  2.67730E+06 ppm1      4.342 ppm2      7.311
 ASSI {  421}   (( segid    A and resid 26   and name  HA  ))   (  segid    A and resid 30   and name  HE# )      5.522     3.802     1.104 peak   421 weight  1.00000E+00 volume  4.17970E+06 ppm1      4.344 ppm2      2.928
 ASSI {  422}   (( segid    A and resid 26   and name  HA  ))   (( segid    A and resid 26   and name  HB1 ))      3.219     1.499     0.644 peak   422 weight  1.00000E+00 volume  5.31893E+07 ppm1      4.340 ppm2      2.730
 ASSI {  423}   (( segid    A and resid 26   and name  HA  ))   (  segid    A and resid 29   and name  HB# )      4.260     2.540     0.852 peak   423 weight  1.00000E+00 volume  2.97058E+07 ppm1      4.340 ppm2      1.343
 ASSI {  424}   (( segid    A and resid 51   and name  HA  ))   (( segid    A and resid 51   and name  HD1 ))      4.725     3.005     0.945 peak   424 weight  1.00000E+00 volume  5.32417E+06 ppm1      4.272 ppm2      3.278
 ASSI {  425}   (( segid    A and resid 51   and name  HA  ))   (( segid    A and resid 52   and name  HN  ))      2.755     1.035     0.551 peak   425 weight  1.00000E+00 volume  6.41672E+07 ppm1      4.266 ppm2      8.478
 ASSI {  426}   (( segid    A and resid 51   and name  HA  ))   (( segid    A and resid 51   and name  HN  ))      3.527     1.807     0.705 peak   426 weight  1.00000E+00 volume  1.46638E+07 ppm1      4.266 ppm2      7.275
 ASSI {  427}   (( segid    A and resid 51   and name  HA  ))   (( segid    A and resid 52   and name  HA  ))      5.071     3.351     1.014 peak   427 weight  1.00000E+00 volume  3.48290E+06 ppm1      4.267 ppm2      5.856
 ASSI {  428}   (( segid    A and resid 51   and name  HA  ))   (( segid    A and resid 51   and name  HB1 ))      3.439     1.719     0.688 peak   428 weight  1.00000E+00 volume  3.57933E+07 ppm1      4.265 ppm2      1.815
 ASSI {  429}   (( segid    A and resid 51   and name  HA  ))   (  segid    A and resid 51   and name  HG# )      3.897     2.177     0.779 peak   429 weight  1.00000E+00 volume  3.38003E+07 ppm1      4.266 ppm2      1.663
 ASSI {  430}   (( segid    A and resid 51   and name  HA  ))   (( segid    A and resid 46   and name  HB1 ))      5.161     3.441     1.032 peak   430 weight  1.00000E+00 volume  3.13401E+06 ppm1      4.257 ppm2      2.735
 ASSI {  431}   (( segid    A and resid 50   and name  HA  ))   (( segid    A and resid 49   and name  HN  ))      5.160     3.440     1.032 peak   431 weight  1.00000E+00 volume  3.13572E+06 ppm1      4.063 ppm2     10.072
 ASSI {  432}   (( segid    A and resid 50   and name  HA  ))   (( segid    A and resid 50   and name  HN  ))      2.757     1.037     0.551 peak   432 weight  1.00000E+00 volume  3.77482E+07 ppm1      4.061 ppm2      7.610
 ASSI {  433}   (( segid    A and resid 50   and name  HA  ))   (( segid    A and resid 51   and name  HN  ))      3.486     1.766     0.697 peak   433 weight  1.00000E+00 volume  1.18442E+07 ppm1      4.062 ppm2      7.281
 ASSI {  435}   (( segid    A and resid 50   and name  HA  ))   (( segid    A and resid 50   and name  HB1 ))      3.787     2.067     0.757 peak   435 weight  1.00000E+00 volume  2.00850E+07 ppm1      4.062 ppm2      2.136
 ASSI {  436}   (( segid    A and resid 50   and name  HA  ))   (( segid    A and resid 50   and name  HB2 ))      3.602     1.882     0.720 peak   436 weight  1.00000E+00 volume  2.71219E+07 ppm1      4.062 ppm2      1.930
 ASSI {  437}   (( segid    A and resid 50   and name  HA  ))   (( segid    A and resid 50   and name  HD1 ))      4.066     2.346     0.813 peak   437 weight  1.00000E+00 volume  1.31047E+07 ppm1      4.064 ppm2      1.640
 ASSI {  438}   (( segid    A and resid 50   and name  HA  ))   (( segid    A and resid 50   and name  HG2 ))      4.070     2.350     0.814 peak   438 weight  1.00000E+00 volume  1.30209E+07 ppm1      4.062 ppm2      1.261
 ASSI {  439}   (( segid    A and resid 50   and name  HA  ))   (  segid    A and resid 45   and name  HG2#)      4.558     2.838     0.912 peak   439 weight  1.00000E+00 volume  1.98071E+07 ppm1      4.062 ppm2      0.972
 ASSI {  442}   (  segid    A and resid 7    and name  HE# )   (  segid    A and resid 5    and name  HD# )      6.141     4.421     0.859 peak   442 weight  1.00000E+00 volume  4.41530E+06 ppm1      7.282 ppm2      1.612
 ASSI {  445}   (  segid    A and resid 7    and name  HD# )   (  segid    A and resid 11   and name  HB# )      6.264     4.544     0.736 peak   445 weight  1.00000E+00 volume  2.96463E+06 ppm1      7.139 ppm2      1.370
 ASSI {  446}   (( segid    A and resid 46   and name  HA  ))   (( segid    A and resid 15   and name  HA  ))      3.593     1.873     0.719 peak   446 weight  1.00000E+00 volume  2.45449E+07 ppm1      4.570 ppm2      5.574
 ASSI {  447}   (( segid    A and resid 46   and name  HA  ))   (( segid    A and resid 46   and name  HB1 ))      4.068     2.348     0.814 peak   447 weight  1.00000E+00 volume  1.30616E+07 ppm1      4.571 ppm2      2.728
 ASSI {  448}   (( segid    A and resid 46   and name  HA  ))   (( segid    A and resid 46   and name  HN  ))      3.937     2.217     0.787 peak   448 weight  1.00000E+00 volume  9.03694E+06 ppm1      4.569 ppm2      9.241
 ASSI {  450}   (( segid    A and resid 46   and name  HA  ))   (  segid    A and resid 15   and name  HD# )      5.293     3.573     1.059 peak   450 weight  1.00000E+00 volume  5.38639E+06 ppm1      4.569 ppm2      7.201
 ASSI {  451}   (( segid    A and resid 46   and name  HA  ))   (( segid    A and resid 46   and name  HB2 ))      3.807     2.087     0.761 peak   451 weight  1.00000E+00 volume  1.94639E+07 ppm1      4.569 ppm2      4.359
 ASSI {  452}   (( segid    A and resid 46   and name  HA  ))   (  segid    A and resid 15   and name  HB# )      3.979     2.259     0.796 peak   452 weight  1.00000E+00 volume  2.98544E+07 ppm1      4.569 ppm2      2.904
 ASSI {  453}   (( segid    A and resid 46   and name  HA  ))   (  segid    A and resid 44   and name  HD1#)      5.397     3.677     1.079 peak   453 weight  1.00000E+00 volume  6.82284E+06 ppm1      4.566 ppm2      0.618
 ASSI {  454}   (( segid    A and resid 63   and name  HA  ))   (( segid    A and resid 64   and name  HN  ))      3.373     1.653     0.675 peak   454 weight  1.00000E+00 volume  1.61889E+07 ppm1      4.265 ppm2      8.280
 ASSI {  455}   (( segid    A and resid 5    and name  HA  ))   (  segid    A and resid 5    and name  HB# )      3.600     1.880     0.720 peak   455 weight  1.00000E+00 volume  5.44212E+07 ppm1      4.229 ppm2      1.699
 ASSI {  456}   (( segid    A and resid 5    and name  HA  ))   (( segid    A and resid 6    and name  HN  ))      2.923     1.203     0.585 peak   456 weight  1.00000E+00 volume  3.32754E+07 ppm1      4.226 ppm2      8.199
 ASSI {  457}   (( segid    A and resid 11   and name  HA  ))   (( segid    A and resid 11   and name  HN  ))      3.447     1.727     0.689 peak   457 weight  1.00000E+00 volume  1.58780E+07 ppm1      4.218 ppm2      6.994
 ASSI {  459}   (( segid    A and resid 11   and name  HA  ))   (  segid    A and resid 11   and name  HB# )      3.579     1.859     0.716 peak   459 weight  1.00000E+00 volume  5.63947E+07 ppm1      4.215 ppm2      1.361
 ASSI {  460}   (( segid    A and resid 11   and name  HA  ))   (  segid    A and resid 11   and name  HD1#)      4.247     2.527     0.849 peak   460 weight  1.00000E+00 volume  6.05839E+07 ppm1      4.214 ppm2      0.604
 OR {  460}
   (( segid    A and resid 11   and name  HA  ))   (  segid    A and resid 11   and name  HD2#) ASSI {  461}   (( segid    A and resid 6    and name  HA  ))   (( segid    A and resid 7    and name  HN  ))      2.904     1.184     0.581 peak   461 weight  1.00000E+00 volume  4.98438E+07 ppm1      4.195 ppm2      8.044
 ASSI {  462}   (( segid    A and resid 6    and name  HA  ))   (( segid    A and resid 6    and name  HG2 ))      3.907     2.187     0.781 peak   462 weight  1.00000E+00 volume  1.66581E+07 ppm1      4.191 ppm2      2.101
 ASSI {  464}   (( segid    A and resid 20   and name  HA  ))   (( segid    A and resid 21   and name  HN  ))      2.872     1.152     0.574 peak   464 weight  1.00000E+00 volume  4.77676E+07 ppm1      4.124 ppm2      9.075
 ASSI {  465}   (( segid    A and resid 20   and name  HA  ))   (( segid    A and resid 20   and name  HN  ))      3.439     1.719     0.688 peak   465 weight  1.00000E+00 volume  1.88972E+07 ppm1      4.124 ppm2      8.563
 ASSI {  466}   (( segid    A and resid 20   and name  HA  ))   (( segid    A and resid 21   and name  HB1 ))      4.493     2.773     0.899 peak   466 weight  1.00000E+00 volume  6.63214E+06 ppm1      4.124 ppm2      3.148
 ASSI {  468}   (( segid    A and resid 20   and name  HA  ))   (( segid    A and resid 20   and name  HG2 ))      3.927     2.207     0.785 peak   468 weight  1.00000E+00 volume  1.61456E+07 ppm1      4.123 ppm2      2.296
 ASSI {  469}   (( segid    A and resid 20   and name  HA  ))   (( segid    A and resid 20   and name  HB1 ))      3.306     1.586     0.661 peak   469 weight  1.00000E+00 volume  4.53314E+07 ppm1      4.124 ppm2      2.016
 ASSI {  470}   (( segid    A and resid 20   and name  HA  ))   (  segid    A and resid 17   and name  HG2#)      4.111     2.391     0.822 peak   470 weight  1.00000E+00 volume  4.84692E+06 ppm1      4.126 ppm2      0.971
 ASSI {  471}   (( segid    A and resid 20   and name  HA  ))   (  segid    A and resid 17   and name  HG1#)      3.859     2.139     0.772 peak   471 weight  1.00000E+00 volume  4.04492E+07 ppm1      4.124 ppm2      0.794
 ASSI {  472}   (( segid    A and resid 20   and name  HA  ))   (( segid    A and resid 22   and name  HN  ))      5.875     4.155     1.125 peak   472 weight  1.00000E+00 volume  1.44046E+06 ppm1      4.120 ppm2      8.904
 ASSI {  473}   (( segid    A and resid 15   and name  HA  ))   (( segid    A and resid 46   and name  HN  ))      5.714     3.994     1.143 peak   473 weight  1.00000E+00 volume  1.70229E+06 ppm1      5.590 ppm2      9.243
 ASSI {  474}   (( segid    A and resid 15   and name  HA  ))   (( segid    A and resid 47   and name  HN  ))      3.432     1.712     0.686 peak   474 weight  1.00000E+00 volume  2.19580E+07 ppm1      5.581 ppm2      9.032
 ASSI {  475}   (( segid    A and resid 15   and name  HA  ))   (( segid    A and resid 16   and name  HN  ))      3.078     1.358     0.616 peak   475 weight  1.00000E+00 volume  3.89462E+07 ppm1      5.581 ppm2      8.449
 ASSI {  476}   (( segid    A and resid 15   and name  HA  ))   (( segid    A and resid 15   and name  HN  ))      3.722     2.002     0.744 peak   476 weight  1.00000E+00 volume  1.09065E+07 ppm1      5.582 ppm2      8.097
 ASSI {  477}   (( segid    A and resid 15   and name  HA  ))   (  segid    A and resid 15   and name  HE# )      6.023     4.303     0.977 peak   477 weight  1.00000E+00 volume  2.48138E+06 ppm1      5.582 ppm2      7.380
 ASSI {  480}   (( segid    A and resid 15   and name  HA  ))   (( segid    A and resid 14   and name  HA  ))      4.761     3.041     0.952 peak   480 weight  1.00000E+00 volume  5.08256E+06 ppm1      5.582 ppm2      4.386
 ASSI {  481}   (( segid    A and resid 15   and name  HA  ))   (  segid    A and resid 15   and name  HB# )      3.664     1.944     0.733 peak   481 weight  1.00000E+00 volume  4.89719E+07 ppm1      5.582 ppm2      2.922
 ASSI {  483}   (( segid    A and resid 15   and name  HA  ))   (( segid    A and resid 44   and name  HB  ))      4.834     3.114     0.967 peak   483 weight  1.00000E+00 volume  4.63929E+06 ppm1      5.582 ppm2      1.911
 ASSI {  485}   (( segid    A and resid 15   and name  HA  ))   (  segid    A and resid 16   and name  HG2#)      5.118     3.398     1.024 peak   485 weight  1.00000E+00 volume  9.88032E+06 ppm1      5.582 ppm2      0.833
 ASSI {  486}   (( segid    A and resid 15   and name  HA  ))   (  segid    A and resid 44   and name  HD1#)      5.495     3.775     1.099 peak   486 weight  1.00000E+00 volume  6.45655E+06 ppm1      5.582 ppm2      0.591
 ASSI {  487}   (( segid    A and resid 43   and name  HA  ))   (  segid    A and resid 54   and name  HB# )      5.462     3.742     1.092 peak   487 weight  1.00000E+00 volume  4.46285E+06 ppm1      4.827 ppm2      2.658
 ASSI {  488}   (( segid    A and resid 13   and name  HA  ))   (( segid    A and resid 14   and name  HN  ))      2.890     1.170     0.578 peak   488 weight  1.00000E+00 volume  6.51747E+07 ppm1      4.749 ppm2      8.199
 ASSI {  490}   (( segid    A and resid 13   and name  HA  ))   (( segid    A and resid 13   and name  HB2 ))      3.560     1.840     0.712 peak   490 weight  1.00000E+00 volume  2.90849E+07 ppm1      4.748 ppm2      2.616
 ASSI {  491}   (( segid    A and resid 13   and name  HA  ))   (( segid    A and resid 13   and name  HG2 ))      3.607     1.887     0.721 peak   491 weight  1.00000E+00 volume  2.68803E+07 ppm1      4.749 ppm2      2.376
 ASSI {  492}   (( segid    A and resid 13   and name  HA  ))   (( segid    A and resid 13   and name  HB1 ))      3.870     2.150     0.774 peak   492 weight  1.00000E+00 volume  1.76179E+07 ppm1      4.745 ppm2      2.097
 ASSI {  493}   (( segid    A and resid 19   and name  HA  ))   (( segid    A and resid 20   and name  HN  ))      2.653     0.933     0.531 peak   493 weight  1.00000E+00 volume  8.34631E+07 ppm1      4.560 ppm2      8.564
 ASSI {  494}   (( segid    A and resid 19   and name  HA  ))   (( segid    A and resid 19   and name  HN  ))      3.565     1.845     0.713 peak   494 weight  1.00000E+00 volume  1.41626E+07 ppm1      4.561 ppm2      7.859
 ASSI {  495}   (( segid    A and resid 19   and name  HA  ))   (( segid    A and resid 19   and name  HG2 ))      3.687     1.967     0.737 peak   495 weight  1.00000E+00 volume  2.35799E+07 ppm1      4.561 ppm2      2.396
 ASSI {  496}   (( segid    A and resid 19   and name  HA  ))   (( segid    A and resid 19   and name  HB1 ))      3.262     1.542     0.652 peak   496 weight  1.00000E+00 volume  4.91235E+07 ppm1      4.561 ppm2      2.084
 ASSI {  497}   (( segid    A and resid 19   and name  HA  ))   (( segid    A and resid 19   and name  HB2 ))      3.753     2.033     0.751 peak   497 weight  1.00000E+00 volume  2.11948E+07 ppm1      4.561 ppm2      1.895
 ASSI {  498}   (( segid    A and resid 19   and name  HA  ))   (( segid    A and resid 43   and name  HB1 ))      4.640     2.920     0.928 peak   498 weight  1.00000E+00 volume  5.93654E+06 ppm1      4.562 ppm2      1.646
 ASSI {  499}   (( segid    A and resid 19   and name  HA  ))   (  segid    A and resid 17   and name  HG1#)      4.444     2.724     0.889 peak   499 weight  1.00000E+00 volume  8.04351E+06 ppm1      4.562 ppm2      0.800
 ASSI {  500}   (( segid    A and resid 4    and name  HA  ))   (( segid    A and resid 5    and name  HN  ))      3.329     1.609     0.666 peak   500 weight  1.00000E+00 volume  1.48303E+07 ppm1      4.428 ppm2      8.317
 ASSI {  501}   (( segid    A and resid 62   and name  HA  ))   (( segid    A and resid 62   and name  HN  ))      3.878     2.158     0.776 peak   501 weight  1.00000E+00 volume  9.88150E+06 ppm1      4.416 ppm2      7.959
 ASSI {  503}   (( segid    A and resid 62   and name  HA  ))   (( segid    A and resid 62   and name  HG2 ))      3.979     2.259     0.796 peak   503 weight  1.00000E+00 volume  1.49195E+07 ppm1      4.418 ppm2      2.493
 ASSI {  504}   (( segid    A and resid 4    and name  HA  ))   (( segid    A and resid 4    and name  HB1 ))      3.507     1.787     0.701 peak   504 weight  1.00000E+00 volume  3.18349E+07 ppm1      4.416 ppm2      2.051
 ASSI {  505}   (( segid    A and resid 62   and name  HA  ))   (( segid    A and resid 63   and name  HN  ))      3.399     1.679     0.680 peak   505 weight  1.00000E+00 volume  1.85717E+07 ppm1      4.412 ppm2      8.151
 ASSI {  506}   (( segid    A and resid 64   and name  HA  ))   (( segid    A and resid 64   and name  HN  ))      4.781     3.061     0.956 peak   506 weight  1.00000E+00 volume  4.95711E+06 ppm1      4.338 ppm2      8.271
 ASSI {  507}   (( segid    A and resid 64   and name  HA  ))   (( segid    A and resid 65   and name  HN  ))      3.650     1.930     0.730 peak   507 weight  1.00000E+00 volume  1.57319E+07 ppm1      4.334 ppm2      7.961
 ASSI {  508}   (( segid    A and resid 64   and name  HA  ))   (( segid    A and resid 64   and name  HB1 ))      4.385     2.665     0.877 peak   508 weight  1.00000E+00 volume  8.33256E+06 ppm1      4.334 ppm2      2.107
 ASSI {  509}   (( segid    A and resid 64   and name  HA  ))   (( segid    A and resid 64   and name  HB2 ))      4.566     2.846     0.913 peak   509 weight  1.00000E+00 volume  6.53805E+06 ppm1      4.332 ppm2      1.969
 ASSI {  510}   (( segid    A and resid 61   and name  HA  ))   (( segid    A and resid 62   and name  HN  ))      3.103     1.383     0.621 peak   510 weight  1.00000E+00 volume  3.32005E+07 ppm1      4.244 ppm2      7.956
 ASSI {  512}   (( segid    A and resid 61   and name  HA  ))   (  segid    A and resid 61   and name  HB# )      3.585     1.865     0.717 peak   512 weight  1.00000E+00 volume  5.58071E+07 ppm1      4.234 ppm2      1.565
 ASSI {  513}   (( segid    A and resid 58   and name  HA  ))   (( segid    A and resid 58   and name  HN  ))      3.511     1.791     0.702 peak   513 weight  1.00000E+00 volume  1.44622E+07 ppm1      4.227 ppm2      8.481
 ASSI {  514}   (( segid    A and resid 58   and name  HA  ))   (( segid    A and resid 59   and name  HN  ))      2.873     1.153     0.575 peak   514 weight  1.00000E+00 volume  4.50448E+07 ppm1      4.226 ppm2      7.739
 ASSI {  515}   (( segid    A and resid 58   and name  HA  ))   (  segid    A and resid 38   and name  HG2#)      4.762     3.042     0.952 peak   515 weight  1.00000E+00 volume  9.76322E+06 ppm1      4.224 ppm2      1.027
 ASSI {  516}   (( segid    A and resid 43   and name  HA  ))   (( segid    A and resid 44   and name  HN  ))      2.962     1.242     0.592 peak   516 weight  1.00000E+00 volume  3.71612E+07 ppm1      4.828 ppm2      9.278
 ASSI {  517}   (( segid    A and resid 43   and name  HA  ))   (( segid    A and resid 55   and name  HN  ))      4.211     2.491     0.842 peak   517 weight  1.00000E+00 volume  5.72396E+06 ppm1      4.829 ppm2      8.832
 ASSI {  518}   (( segid    A and resid 43   and name  HA  ))   (( segid    A and resid 53   and name  HN  ))      4.868     3.148     0.974 peak   518 weight  1.00000E+00 volume  3.67984E+06 ppm1      4.832 ppm2      8.666
 ASSI {  519}   (( segid    A and resid 43   and name  HA  ))   (( segid    A and resid 43   and name  HN  ))      4.252     2.532     0.850 peak   519 weight  1.00000E+00 volume  1.00273E+07 ppm1      4.832 ppm2      8.528
 ASSI {  520}   (( segid    A and resid 43   and name  HA  ))   (( segid    A and resid 43   and name  HB2 ))      3.689     1.969     0.738 peak   520 weight  1.00000E+00 volume  2.34906E+07 ppm1      4.828 ppm2      1.591
 ASSI {  521}   (( segid    A and resid 43   and name  HA  ))   (( segid    A and resid 43   and name  HG2 ))      4.112     2.392     0.822 peak   521 weight  1.00000E+00 volume  1.22534E+07 ppm1      4.830 ppm2      0.894
 ASSI {  522}   (( segid    A and resid 43   and name  HA  ))   (( segid    A and resid 43   and name  HG1 ))      3.758     2.038     0.752 peak   522 weight  1.00000E+00 volume  2.10148E+07 ppm1      4.828 ppm2      0.593
 ASSI {  525}   (( segid    A and resid 7    and name  HA  ))   (( segid    A and resid 8    and name  HG2 ))      4.145     2.425     0.829 peak   525 weight  1.00000E+00 volume  1.16744E+07 ppm1      4.753 ppm2      1.745
 ASSI {  526}   (( segid    A and resid 7    and name  HA  ))   (( segid    A and resid 7    and name  HN  ))      3.403     1.683     0.681 peak   526 weight  1.00000E+00 volume  1.24166E+07 ppm1      4.749 ppm2      8.042
 ASSI {  528}   (( segid    A and resid 7    and name  HA  ))   (( segid    A and resid 8    and name  HD2 ))      3.153     1.433     0.631 peak   528 weight  1.00000E+00 volume  6.02617E+07 ppm1      4.750 ppm2      3.667
 ASSI {  529}   (( segid    A and resid 7    and name  HA  ))   (( segid    A and resid 8    and name  HD1 ))      3.299     1.579     0.660 peak   529 weight  1.00000E+00 volume  4.59175E+07 ppm1      4.749 ppm2      3.218
 ASSI {  530}   (( segid    A and resid 7    and name  HA  ))   (( segid    A and resid 7    and name  HB1 ))      3.737     2.017     0.747 peak   530 weight  1.00000E+00 volume  2.16326E+07 ppm1      4.749 ppm2      2.914
 ASSI {  531}   (( segid    A and resid 7    and name  HA  ))   (( segid    A and resid 7    and name  HB2 ))      3.769     2.049     0.754 peak   531 weight  1.00000E+00 volume  2.06673E+07 ppm1      4.750 ppm2      2.729
 ASSI {  532}   (( segid    A and resid 7    and name  HA  ))   (( segid    A and resid 8    and name  HG1 ))      4.323     2.603     0.865 peak   532 weight  1.00000E+00 volume  9.07035E+06 ppm1      4.749 ppm2      1.382
 ASSI {  533}   (( segid    A and resid 7    and name  HA  ))   (  segid    A and resid 11   and name  HD1#)      4.953     3.233     0.991 peak   533 weight  1.00000E+00 volume  1.04781E+07 ppm1      4.746 ppm2      0.588
 ASSI {  534}   (( segid    A and resid 57   and name  HA  ))   (( segid    A and resid 58   and name  HN  ))      3.111     1.391     0.622 peak   534 weight  1.00000E+00 volume  2.58180E+07 ppm1      5.011 ppm2      8.488
 ASSI {  535}   (( segid    A and resid 57   and name  HA  ))   (( segid    A and resid 57   and name  HN  ))      3.714     1.994     0.743 peak   535 weight  1.00000E+00 volume  1.02490E+07 ppm1      5.012 ppm2      7.730
 ASSI {  536}   (( segid    A and resid 57   and name  HA  ))   (( segid    A and resid 58   and name  HA  ))      4.975     3.255     0.995 peak   536 weight  1.00000E+00 volume  3.90413E+06 ppm1      5.012 ppm2      4.221
 ASSI {  537}   (( segid    A and resid 57   and name  HA  ))   (( segid    A and resid 57   and name  HB1 ))      3.375     1.655     0.675 peak   537 weight  1.00000E+00 volume  4.00564E+07 ppm1      5.011 ppm2      3.234
 ASSI {  538}   (( segid    A and resid 57   and name  HA  ))   (( segid    A and resid 57   and name  HB2 ))      3.383     1.663     0.677 peak   538 weight  1.00000E+00 volume  3.94734E+07 ppm1      5.011 ppm2      3.114
 ASSI {  539}   (( segid    A and resid 57   and name  HA  ))   (( segid    A and resid 42   and name  HG1 ))      5.114     3.394     1.023 peak   539 weight  1.00000E+00 volume  3.31165E+06 ppm1      5.011 ppm2      2.175
 ASSI {  540}   (( segid    A and resid 57   and name  HA  ))   (( segid    A and resid 58   and name  HB1 ))      4.659     2.939     0.932 peak   540 weight  1.00000E+00 volume  5.78749E+06 ppm1      5.010 ppm2      1.542
 ASSI {  541}   (( segid    A and resid 57   and name  HA  ))   (  segid    A and resid 38   and name  HG2#)      6.212     4.492     0.788 peak   541 weight  1.00000E+00 volume  3.09296E+06 ppm1      5.012 ppm2      1.025
 ASSI {  544}   (( segid    A and resid 53   and name  HA  ))   (  segid    A and resid 53   and name  HG# )      3.580     1.860     0.716 peak   544 weight  1.00000E+00 volume  5.62311E+07 ppm1      4.680 ppm2      2.349
 ASSI {  545}   (( segid    A and resid 53   and name  HA  ))   (( segid    A and resid 54   and name  HN  ))      3.010     1.290     0.602 peak   545 weight  1.00000E+00 volume  3.86568E+07 ppm1      4.678 ppm2      8.873
 ASSI {  546}   (( segid    A and resid 53   and name  HA  ))   (( segid    A and resid 53   and name  HN  ))      3.508     1.788     0.702 peak   546 weight  1.00000E+00 volume  5.26257E+06 ppm1      4.673 ppm2      8.667
 ASSI {  547}   (( segid    A and resid 53   and name  HA  ))   (( segid    A and resid 53   and name  HB1 ))      3.840     2.120     0.768 peak   547 weight  1.00000E+00 volume  1.84738E+07 ppm1      4.677 ppm2      1.618
 ASSI {  548}   (( segid    A and resid 55   and name  HA  ))   (( segid    A and resid 56   and name  HN  ))      2.920     1.200     0.584 peak   548 weight  1.00000E+00 volume  3.43777E+07 ppm1      4.631 ppm2      9.231
 ASSI {  549}   (( segid    A and resid 55   and name  HA  ))   (( segid    A and resid 56   and name  HB2 ))      5.273     3.553     1.055 peak   549 weight  1.00000E+00 volume  2.75497E+06 ppm1      4.635 ppm2      3.867
 ASSI {  550}   (( segid    A and resid 55   and name  HA  ))   (( segid    A and resid 34   and name  HG1 ))      4.250     2.530     0.850 peak   550 weight  1.00000E+00 volume  1.00472E+07 ppm1      4.633 ppm2      2.760
 ASSI {  551}   (( segid    A and resid 55   and name  HA  ))   (( segid    A and resid 55   and name  HE1 ))      4.385     2.665     0.877 peak   551 weight  1.00000E+00 volume  8.32958E+06 ppm1      4.631 ppm2      2.007
 ASSI {  552}   (( segid    A and resid 55   and name  HA  ))   (( segid    A and resid 55   and name  HB1 ))      4.070     2.350     0.814 peak   552 weight  1.00000E+00 volume  1.30204E+07 ppm1      4.632 ppm2      1.232
 ASSI {  553}   (( segid    A and resid 55   and name  HA  ))   (( segid    A and resid 55   and name  HB2 ))      3.658     1.938     0.732 peak   553 weight  1.00000E+00 volume  2.47025E+07 ppm1      4.631 ppm2      0.993
 ASSI {  554}   (( segid    A and resid 55   and name  HA  ))   (( segid    A and resid 55   and name  HG2 ))      3.952     2.232     0.790 peak   554 weight  1.00000E+00 volume  1.55358E+07 ppm1      4.632 ppm2      0.581
 ASSI {  555}   (( segid    A and resid 55   and name  HA  ))   (( segid    A and resid 55   and name  HD1 ))      5.434     3.714     1.087 peak   555 weight  1.00000E+00 volume  1.92954E+06 ppm1      4.629 ppm2     -0.401
 ASSI {  557}   (( segid    A and resid 29   and name  HA  ))   (  segid    A and resid 32   and name  HG2#)      4.709     2.989     0.942 peak   557 weight  1.00000E+00 volume  2.82976E+06 ppm1      3.930 ppm2      0.822
 ASSI {  558}   (( segid    A and resid 29   and name  HA  ))   (( segid    A and resid 29   and name  HN  ))      3.613     1.893     0.723 peak   558 weight  1.00000E+00 volume  1.34231E+07 ppm1      3.926 ppm2      8.690
 ASSI {  559}   (( segid    A and resid 29   and name  HA  ))   (( segid    A and resid 35   and name  HN  ))      4.469     2.749     0.894 peak   559 weight  1.00000E+00 volume  4.49312E+06 ppm1      3.926 ppm2      7.881
 ASSI {  560}   (( segid    A and resid 29   and name  HA  ))   (( segid    A and resid 32   and name  HN  ))      3.906     2.186     0.781 peak   560 weight  1.00000E+00 volume  5.50750E+06 ppm1      3.926 ppm2      7.534
 ASSI {  561}   (( segid    A and resid 29   and name  HA  ))   (( segid    A and resid 30   and name  HN  ))      4.120     2.400     0.824 peak   561 weight  1.00000E+00 volume  6.15319E+06 ppm1      3.927 ppm2      7.303
 ASSI {  562}   (( segid    A and resid 29   and name  HA  ))   (( segid    A and resid 35   and name  HB1 ))      3.911     2.191     0.782 peak   562 weight  1.00000E+00 volume  1.65384E+07 ppm1      3.926 ppm2      3.330
 ASSI {  563}   (( segid    A and resid 29   and name  HA  ))   (( segid    A and resid 35   and name  HB2 ))      4.184     2.464     0.837 peak   563 weight  1.00000E+00 volume  1.10413E+07 ppm1      3.925 ppm2      3.022
 ASSI {  564}   (( segid    A and resid 29   and name  HA  ))   (( segid    A and resid 24   and name  HB2 ))      4.672     2.952     0.934 peak   564 weight  1.00000E+00 volume  5.69163E+06 ppm1      3.925 ppm2      2.627
 ASSI {  565}   (( segid    A and resid 29   and name  HA  ))   (  segid    A and resid 29   and name  HB# )      3.800     2.080     0.760 peak   565 weight  1.00000E+00 volume  5.90071E+07 ppm1      3.926 ppm2      1.343
 ASSI {  566}   (( segid    A and resid 29   and name  HA  ))   (( segid    A and resid 31   and name  HN  ))      4.772     3.052     0.954 peak   566 weight  1.00000E+00 volume  2.88092E+06 ppm1      3.918 ppm2      7.160
 ASSI {  567}   (( segid    A and resid 42   and name  HA  ))   (( segid    A and resid 42   and name  HN  ))      3.889     2.169     0.778 peak   567 weight  1.00000E+00 volume  9.74765E+06 ppm1      4.788 ppm2      9.097
 ASSI {  568}   (( segid    A and resid 42   and name  HA  ))   (( segid    A and resid 43   and name  HN  ))      2.957     1.237     0.591 peak   568 weight  1.00000E+00 volume  3.76025E+07 ppm1      4.785 ppm2      8.532
 ASSI {  570}   (( segid    A and resid 42   and name  HA  ))   (( segid    A and resid 42   and name  HB2 ))      3.628     1.908     0.726 peak   570 weight  1.00000E+00 volume  2.59545E+07 ppm1      4.784 ppm2      2.170
 ASSI {  571}   (( segid    A and resid 42   and name  HA  ))   (( segid    A and resid 42   and name  HB1 ))      3.808     2.088     0.762 peak   571 weight  1.00000E+00 volume  1.94228E+07 ppm1      4.784 ppm2      1.879
 ASSI {  572}   (( segid    A and resid 42   and name  HA  ))   (( segid    A and resid 19   and name  HN  ))      5.207     3.487     1.041 peak   572 weight  1.00000E+00 volume  2.97110E+06 ppm1      4.775 ppm2      7.865
 ASSI {  574}   (( segid    A and resid 18   and name  HA  ))   (( segid    A and resid 44   and name  HA  ))      4.915     3.195     0.983 peak   574 weight  1.00000E+00 volume  1.86996E+06 ppm1      4.375 ppm2      5.139
 ASSI {  576}   (( segid    A and resid 18   and name  HA  ))   (( segid    A and resid 17   and name  HA  ))      4.320     2.600     0.864 peak   576 weight  1.00000E+00 volume  4.68992E+06 ppm1      4.375 ppm2      4.067
 ASSI {  577}   (( segid    A and resid 18   and name  HA  ))   (( segid    A and resid 18   and name  HN  ))      3.845     2.125     0.769 peak   577 weight  1.00000E+00 volume  1.26966E+07 ppm1      4.371 ppm2      9.121
 ASSI {  578}   (( segid    A and resid 18   and name  HA  ))   (( segid    A and resid 19   and name  HN  ))      4.115     2.395     0.823 peak   578 weight  1.00000E+00 volume  8.45559E+06 ppm1      4.371 ppm2      7.859
 ASSI {  579}   (( segid    A and resid 18   and name  HA  ))   (  segid    A and resid 18   and name  HB# )      3.665     1.945     0.733 peak   579 weight  1.00000E+00 volume  7.32676E+07 ppm1      4.371 ppm2      1.216
 ASSI {  580}   (( segid    A and resid 18   and name  HA  ))   (  segid    A and resid 17   and name  HG1#)      5.064     3.344     1.013 peak   580 weight  1.00000E+00 volume  1.05313E+07 ppm1      4.372 ppm2      0.821
 ASSI {  581}   (( segid    A and resid 60   and name  HA  ))   (( segid    A and resid 61   and name  HN  ))      3.752     2.032     0.750 peak   581 weight  1.00000E+00 volume  2.12413E+07 ppm1      4.216 ppm2      7.970
 ASSI {  582}   (( segid    A and resid 60   and name  HA  ))   (  segid    A and resid 60   and name  HB# )      4.000     2.280     0.800 peak   582 weight  1.00000E+00 volume  4.02280E+07 ppm1      4.215 ppm2      1.346
 ASSI {  584}   (( segid    A and resid 52   and name  HA  ))   (( segid    A and resid 53   and name  HB1 ))      4.838     3.118     0.968 peak   584 weight  1.00000E+00 volume  4.61903E+06 ppm1      5.876 ppm2      1.609
 ASSI {  585}   (( segid    A and resid 52   and name  HA  ))   (( segid    A and resid 46   and name  HN  ))      4.079     2.359     0.816 peak   585 weight  1.00000E+00 volume  9.95985E+06 ppm1      5.875 ppm2      9.251
 ASSI {  586}   (( segid    A and resid 52   and name  HA  ))   (( segid    A and resid 53   and name  HN  ))      2.929     1.209     0.586 peak   586 weight  1.00000E+00 volume  4.61935E+07 ppm1      5.875 ppm2      8.670
 ASSI {  587}   (( segid    A and resid 52   and name  HA  ))   (( segid    A and resid 52   and name  HN  ))      3.724     2.004     0.745 peak   587 weight  1.00000E+00 volume  1.07650E+07 ppm1      5.875 ppm2      8.479
 ASSI {  588}   (( segid    A and resid 52   and name  HA  ))   (( segid    A and resid 52   and name  HD22))      4.831     3.111     0.966 peak   588 weight  1.00000E+00 volume  3.25916E+06 ppm1      5.875 ppm2      7.344
 ASSI {  591}   (( segid    A and resid 52   and name  HA  ))   (( segid    A and resid 45   and name  HB  ))      5.554     3.834     1.111 peak   591 weight  1.00000E+00 volume  1.97845E+06 ppm1      5.872 ppm2      3.672
 ASSI {  592}   (( segid    A and resid 52   and name  HA  ))   (( segid    A and resid 52   and name  HB1 ))      3.920     2.200     0.784 peak   592 weight  1.00000E+00 volume  1.63105E+07 ppm1      5.876 ppm2      2.591
 ASSI {  593}   (( segid    A and resid 52   and name  HA  ))   (( segid    A and resid 52   and name  HB2 ))      3.706     1.986     0.741 peak   593 weight  1.00000E+00 volume  2.28527E+07 ppm1      5.875 ppm2      2.224
 ASSI {  594}   (( segid    A and resid 52   and name  HA  ))   (  segid    A and resid 45   and name  HG2#)      5.267     3.547     1.053 peak   594 weight  1.00000E+00 volume  8.31731E+06 ppm1      5.876 ppm2      0.965
 ASSI {  595}   (( segid    A and resid 52   and name  HA  ))   (  segid    A and resid 44   and name  HD1#)      5.464     3.744     1.093 peak   595 weight  1.00000E+00 volume  6.67807E+06 ppm1      5.876 ppm2      0.597
 ASSI {  596}   (( segid    A and resid 33   and name  HD2 ))   (( segid    A and resid 34   and name  HN  ))      3.940     2.220     0.788 peak   596 weight  1.00000E+00 volume  5.77552E+06 ppm1      4.072 ppm2      9.526
 ASSI {  597}   (( segid    A and resid 33   and name  HD2 ))   (( segid    A and resid 32   and name  HN  ))      5.472     3.752     1.094 peak   597 weight  1.00000E+00 volume  2.20689E+06 ppm1      4.075 ppm2      7.533
 ASSI {  599}   (( segid    A and resid 33   and name  HD2 ))   (( segid    A and resid 33   and name  HA  ))      3.428     1.708     0.686 peak   599 weight  1.00000E+00 volume  5.63073E+06 ppm1      4.075 ppm2      4.305
 ASSI {  600}   (( segid    A and resid 33   and name  HD2 ))   (( segid    A and resid 33   and name  HD1 ))      2.980     1.260     0.596 peak   600 weight  1.00000E+00 volume  7.28422E+07 ppm1      4.072 ppm2      3.814
 ASSI {  601}   (( segid    A and resid 33   and name  HD2 ))   (( segid    A and resid 33   and name  HG2 ))      3.746     2.026     0.749 peak   601 weight  1.00000E+00 volume  1.94296E+07 ppm1      4.072 ppm2      2.117
 ASSI {  602}   (( segid    A and resid 33   and name  HD2 ))   (( segid    A and resid 33   and name  HB1 ))      4.542     2.822     0.908 peak   602 weight  1.00000E+00 volume  5.71090E+06 ppm1      4.072 ppm2      2.383
 ASSI {  603}   (( segid    A and resid 33   and name  HD2 ))   (( segid    A and resid 33   and name  HG1 ))      3.709     1.989     0.742 peak   603 weight  1.00000E+00 volume  2.27642E+07 ppm1      4.072 ppm2      1.969
 ASSI {  604}   (( segid    A and resid 33   and name  HD2 ))   (  segid    A and resid 32   and name  HG2#)      3.755     2.035     0.751 peak   604 weight  1.00000E+00 volume  7.44258E+06 ppm1      4.071 ppm2      0.807
 ASSI {  605}   (( segid    A and resid 33   and name  HD1 ))   (( segid    A and resid 34   and name  HN  ))      4.585     2.865     0.917 peak   605 weight  1.00000E+00 volume  3.63739E+06 ppm1      3.825 ppm2      9.522
 ASSI {  606}   (( segid    A and resid 33   and name  HD1 ))   (( segid    A and resid 32   and name  HN  ))      4.366     2.646     0.873 peak   606 weight  1.00000E+00 volume  3.32598E+06 ppm1      3.825 ppm2      7.537
 ASSI {  610}   (( segid    A and resid 33   and name  HD1 ))   (( segid    A and resid 33   and name  HB1 ))      4.491     2.771     0.898 peak   610 weight  1.00000E+00 volume  7.22082E+06 ppm1      3.823 ppm2      2.381
 ASSI {  611}   (( segid    A and resid 33   and name  HD1 ))   (( segid    A and resid 33   and name  HG2 ))      3.794     2.074     0.759 peak   611 weight  1.00000E+00 volume  1.98507E+07 ppm1      3.823 ppm2      2.115
 ASSI {  612}   (( segid    A and resid 33   and name  HD1 ))   (( segid    A and resid 33   and name  HG1 ))      3.436     1.716     0.687 peak   612 weight  1.00000E+00 volume  3.04064E+07 ppm1      3.823 ppm2      1.974
 ASSI {  613}   (( segid    A and resid 33   and name  HD1 ))   (  segid    A and resid 32   and name  HG2#)      5.129     3.409     1.026 peak   613 weight  1.00000E+00 volume  6.52336E+06 ppm1      3.824 ppm2      0.812
 ASSI {  614}   (( segid    A and resid 37   and name  HD2 ))   (( segid    A and resid 36   and name  HN  ))      4.274     2.554     0.855 peak   614 weight  1.00000E+00 volume  9.71169E+06 ppm1      3.698 ppm2      8.210
 ASSI {  615}   (( segid    A and resid 37   and name  HD2 ))   (( segid    A and resid 37   and name  HB1 ))      4.588     2.868     0.918 peak   615 weight  1.00000E+00 volume  6.16261E+06 ppm1      3.700 ppm2      2.434
 ASSI {  616}   (( segid    A and resid 37   and name  HD2 ))   (( segid    A and resid 37   and name  HG2 ))      3.912     2.192     0.782 peak   616 weight  1.00000E+00 volume  1.38558E+07 ppm1      3.697 ppm2      2.201
 ASSI {  617}   (( segid    A and resid 37   and name  HD1 ))   (( segid    A and resid 38   and name  HN  ))      4.614     2.894     0.923 peak   617 weight  1.00000E+00 volume  2.31993E+06 ppm1      3.645 ppm2      8.912
 ASSI {  618}   (( segid    A and resid 37   and name  HD1 ))   (( segid    A and resid 36   and name  HN  ))      3.400     1.680     0.680 peak   618 weight  1.00000E+00 volume  1.15660E+07 ppm1      3.641 ppm2      8.206
 ASSI {  619}   (( segid    A and resid 37   and name  HD1 ))   (( segid    A and resid 36   and name  HA2 ))      3.877     2.157     0.775 peak   619 weight  1.00000E+00 volume  1.74380E+07 ppm1      3.641 ppm2      4.082
 ASSI {  620}   (( segid    A and resid 37   and name  HD1 ))   (( segid    A and resid 37   and name  HB1 ))      4.390     2.670     0.878 peak   620 weight  1.00000E+00 volume  5.81338E+06 ppm1      3.640 ppm2      2.435
 ASSI {  621}   (( segid    A and resid 37   and name  HD1 ))   (( segid    A and resid 37   and name  HG2 ))      3.738     2.018     0.748 peak   621 weight  1.00000E+00 volume  1.43068E+07 ppm1      3.642 ppm2      2.201
 ASSI {  622}   (( segid    A and resid 37   and name  HD1 ))   (( segid    A and resid 37   and name  HG1 ))      3.698     1.978     0.740 peak   622 weight  1.00000E+00 volume  2.31641E+07 ppm1      3.640 ppm2      2.003
 ASSI {  631}   (( segid    A and resid 23   and name  HD1 ))   (( segid    A and resid 22   and name  HN  ))      5.497     3.777     1.099 peak   631 weight  1.00000E+00 volume  2.14654E+06 ppm1      3.778 ppm2      8.922
 ASSI {  633}   (( segid    A and resid 23   and name  HD1 ))   (( segid    A and resid 22   and name  HA  ))      3.221     1.501     0.644 peak   633 weight  1.00000E+00 volume  3.72190E+07 ppm1      3.776 ppm2      5.125
 ASSI {  635}   (( segid    A and resid 23   and name  HD1 ))   (( segid    A and resid 23   and name  HG1 ))      3.351     1.631     0.670 peak   635 weight  1.00000E+00 volume  2.12990E+07 ppm1      3.777 ppm2      1.996
 ASSI {  636}   (( segid    A and resid 23   and name  HD1 ))   (( segid    A and resid 23   and name  HG2 ))      3.454     1.734     0.691 peak   636 weight  1.00000E+00 volume  1.68499E+07 ppm1      3.776 ppm2      1.833
 ASSI {  637}   (( segid    A and resid 23   and name  HD1 ))   (  segid    A and resid 23   and name  HB# )      3.641     1.921     0.728 peak   637 weight  1.00000E+00 volume  1.02245E+07 ppm1      3.777 ppm2      1.551
 ASSI {  638}   (( segid    A and resid 23   and name  HD2 ))   (( segid    A and resid 24   and name  HN  ))      6.247     4.527     0.753 peak   638 weight  1.00000E+00 volume  9.96808E+05 ppm1      3.724 ppm2      8.751
 ASSI {  639}   (( segid    A and resid 23   and name  HD2 ))   (  segid    A and resid 40   and name  HE# )      4.566     2.846     0.913 peak   639 weight  1.00000E+00 volume  1.30628E+07 ppm1      3.721 ppm2      6.858
 ASSI {  641}   (( segid    A and resid 23   and name  HD2 ))   (  segid    A and resid 22   and name  HB# )      3.960     2.240     0.792 peak   641 weight  1.00000E+00 volume  3.07281E+07 ppm1      3.721 ppm2      3.972
 ASSI {  642}   (( segid    A and resid 23   and name  HD2 ))   (( segid    A and resid 23   and name  HG2 ))      3.523     1.803     0.705 peak   642 weight  1.00000E+00 volume  1.89722E+07 ppm1      3.720 ppm2      1.830
 ASSI {  643}   (( segid    A and resid 23   and name  HD2 ))   (  segid    A and resid 23   and name  HB# )      3.833     2.113     0.767 peak   643 weight  1.00000E+00 volume  1.10290E+07 ppm1      3.722 ppm2      1.553
 ASSI {  644}   (( segid    A and resid 37   and name  HD2 ))   (( segid    A and resid 38   and name  HN  ))      5.072     3.352     1.014 peak   644 weight  1.00000E+00 volume  3.47879E+06 ppm1      3.696 ppm2      8.914
 ASSI {  645}   (( segid    A and resid 23   and name  HD2 ))   (( segid    A and resid 23   and name  HG1 ))      3.353     1.633     0.671 peak   645 weight  1.00000E+00 volume  3.05106E+07 ppm1      3.715 ppm2      1.994
 ASSI {  646}   (( segid    A and resid 8    and name  HD2 ))   (( segid    A and resid 7    and name  HN  ))      4.595     2.875     0.919 peak   646 weight  1.00000E+00 volume  3.13967E+06 ppm1      3.677 ppm2      8.041
 ASSI {  647}   (( segid    A and resid 8    and name  HD2 ))   (  segid    A and resid 7    and name  HD# )      5.662     3.942     1.132 peak   647 weight  1.00000E+00 volume  3.59454E+06 ppm1      3.676 ppm2      7.128
 ASSI {  649}   (( segid    A and resid 8    and name  HD2 ))   (( segid    A and resid 8    and name  HD1 ))      2.972     1.252     0.594 peak   649 weight  1.00000E+00 volume  8.58630E+07 ppm1      3.676 ppm2      3.218
 ASSI {  650}   (( segid    A and resid 8    and name  HD2 ))   (( segid    A and resid 7    and name  HB1 ))      4.221     2.501     0.844 peak   650 weight  1.00000E+00 volume  9.09760E+06 ppm1      3.676 ppm2      2.915
 ASSI {  651}   (( segid    A and resid 8    and name  HD2 ))   (( segid    A and resid 7    and name  HB2 ))      4.440     2.720     0.888 peak   651 weight  1.00000E+00 volume  7.73141E+06 ppm1      3.676 ppm2      2.731
 ASSI {  652}   (( segid    A and resid 8    and name  HD2 ))   (( segid    A and resid 8    and name  HG2 ))      3.576     1.856     0.715 peak   652 weight  1.00000E+00 volume  2.83007E+07 ppm1      3.676 ppm2      1.744
 ASSI {  653}   (( segid    A and resid 8    and name  HD2 ))   (( segid    A and resid 8    and name  HG1 ))      3.776     2.056     0.755 peak   653 weight  1.00000E+00 volume  2.04287E+07 ppm1      3.676 ppm2      1.393
 ASSI {  654}   (( segid    A and resid 8    and name  HD2 ))   (  segid    A and resid 11   and name  HD1#)      4.907     3.187     0.981 peak   654 weight  1.00000E+00 volume  1.27300E+07 ppm1      3.675 ppm2      0.592
 ASSI {  655}   (( segid    A and resid 8    and name  HD2 ))   (( segid    A and resid 8    and name  HB1 ))      4.717     2.997     0.943 peak   655 weight  1.00000E+00 volume  5.37660E+06 ppm1      3.676 ppm2      0.389
 ASSI {  661}   (( segid    A and resid 8    and name  HD1 ))   (( segid    A and resid 7    and name  HB1 ))      3.212     1.492     0.642 peak   661 weight  1.00000E+00 volume  1.29806E+07 ppm1      3.229 ppm2      2.913
 ASSI {  662}   (( segid    A and resid 8    and name  HD1 ))   (( segid    A and resid 7    and name  HB2 ))      4.171     2.451     0.834 peak   662 weight  1.00000E+00 volume  9.92730E+06 ppm1      3.228 ppm2      2.732
 ASSI {  663}   (( segid    A and resid 8    and name  HD1 ))   (( segid    A and resid 8    and name  HG2 ))      3.805     2.085     0.761 peak   663 weight  1.00000E+00 volume  1.95076E+07 ppm1      3.229 ppm2      1.741
 ASSI {  664}   (( segid    A and resid 8    and name  HD1 ))   (( segid    A and resid 8    and name  HG1 ))      3.692     1.972     0.738 peak   664 weight  1.00000E+00 volume  2.33969E+07 ppm1      3.230 ppm2      1.392
 ASSI {  665}   (( segid    A and resid 8    and name  HD1 ))   (  segid    A and resid 11   and name  HD1#)      4.502     2.782     0.900 peak   665 weight  1.00000E+00 volume  2.13318E+07 ppm1      3.230 ppm2      0.591
 ASSI {  666}   (( segid    A and resid 8    and name  HD1 ))   (( segid    A and resid 8    and name  HB1 ))      4.599     2.879     0.920 peak   666 weight  1.00000E+00 volume  6.25829E+06 ppm1      3.230 ppm2      0.388
 ASSI {  667}   (( segid    A and resid 8    and name  HD1 ))   (( segid    A and resid 7    and name  HN  ))      4.998     3.278     1.000 peak   667 weight  1.00000E+00 volume  1.72544E+06 ppm1      3.226 ppm2      8.037
 ASSI {  669}   (( segid    A and resid 57   and name  HB2 ))   (( segid    A and resid 21   and name  HA  ))      5.609     3.889     1.122 peak   669 weight  1.00000E+00 volume  1.90087E+06 ppm1      3.120 ppm2      4.379
 ASSI {  670}   (( segid    A and resid 36   and name  HA2 ))   (( segid    A and resid 35   and name  HN  ))      5.526     3.806     1.105 peak   670 weight  1.00000E+00 volume  2.07990E+06 ppm1      4.091 ppm2      7.901
 ASSI {  671}   (( segid    A and resid 36   and name  HA2 ))   (( segid    A and resid 37   and name  HG1 ))      4.988     3.268     0.998 peak   671 weight  1.00000E+00 volume  3.84541E+06 ppm1      4.086 ppm2      1.994
 ASSI {  672}   (( segid    A and resid 36   and name  HA2 ))   (( segid    A and resid 36   and name  HN  ))      3.106     1.386     0.621 peak   672 weight  1.00000E+00 volume  2.17017E+07 ppm1      4.086 ppm2      8.208
 ASSI {  673}   (( segid    A and resid 36   and name  HA2 ))   (( segid    A and resid 36   and name  HA1 ))      3.058     1.338     0.612 peak   673 weight  1.00000E+00 volume  6.11696E+07 ppm1      4.086 ppm2      3.795
 ASSI {  674}   (( segid    A and resid 36   and name  HA2 ))   (( segid    A and resid 37   and name  HG2 ))      5.816     4.096     1.163 peak   674 weight  1.00000E+00 volume  1.53040E+06 ppm1      4.080 ppm2      2.197
 ASSI {  675}   (( segid    A and resid 36   and name  HA1 ))   (( segid    A and resid 35   and name  HB1 ))      5.710     3.990     1.142 peak   675 weight  1.00000E+00 volume  1.70889E+06 ppm1      3.815 ppm2      3.326
 ASSI {  676}   (( segid    A and resid 36   and name  HA1 ))   (( segid    A and resid 37   and name  HG1 ))      5.244     3.524     1.049 peak   676 weight  1.00000E+00 volume  2.84909E+06 ppm1      3.811 ppm2      1.988
 ASSI {  677}   (( segid    A and resid 36   and name  HA1 ))   (( segid    A and resid 36   and name  HN  ))      3.346     1.626     0.669 peak   677 weight  1.00000E+00 volume  2.05833E+07 ppm1      3.805 ppm2      8.208
 ASSI {  678}   (( segid    A and resid 36   and name  HA1 ))   (( segid    A and resid 35   and name  HN  ))      5.065     3.345     1.013 peak   678 weight  1.00000E+00 volume  2.14590E+06 ppm1      3.800 ppm2      7.905
 ASSI {  680}   (( segid    A and resid 36   and name  HA1 ))   (( segid    A and resid 37   and name  HD1 ))      3.614     1.894     0.723 peak   680 weight  1.00000E+00 volume  1.30311E+07 ppm1      3.805 ppm2      3.633
 ASSI {  681}   (( segid    A and resid 57   and name  HB1 ))   (( segid    A and resid 42   and name  HN  ))      4.986     3.266     0.997 peak   681 weight  1.00000E+00 volume  2.45726E+06 ppm1      3.248 ppm2      9.095
 ASSI {  682}   (( segid    A and resid 57   and name  HB1 ))   (( segid    A and resid 57   and name  HN  ))      4.286     1.586     0.857 peak   682 weight  1.00000E+00 volume  3.36673E+06 ppm1      3.250 ppm2      7.728
 ASSI {  683}   (( segid    A and resid 57   and name  HB1 ))   (( segid    A and resid 41   and name  HA  ))      5.293     3.573     1.059 peak   683 weight  1.00000E+00 volume  2.11093E+06 ppm1      3.254 ppm2      5.158
 ASSI {  684}   (( segid    A and resid 57   and name  HB1 ))   (( segid    A and resid 21   and name  HB2 ))      4.872     1.000     0.974 peak   684 weight  1.00000E+00 volume  4.42662E+06 ppm1      3.249 ppm2      2.936
 ASSI {  685}   (( segid    A and resid 57   and name  HB1 ))   (( segid    A and resid 58   and name  HN  ))      3.751     2.031     0.750 peak   685 weight  1.00000E+00 volume  8.26870E+06 ppm1      3.248 ppm2      8.488
 ASSI {  687}   (( segid    A and resid 57   and name  HB1 ))   (( segid    A and resid 57   and name  HB2 ))      3.068     1.348     0.614 peak   687 weight  1.00000E+00 volume  6.66773E+07 ppm1      3.247 ppm2      3.114
 ASSI {  689}   (( segid    A and resid 57   and name  HB1 ))   (( segid    A and resid 42   and name  HB1 ))      5.439     3.719     1.088 peak   689 weight  1.00000E+00 volume  2.28761E+06 ppm1      3.245 ppm2      1.869
 ASSI {  690}   (( segid    A and resid 57   and name  HB2 ))   (( segid    A and resid 41   and name  HA  ))      5.616     3.896     1.123 peak   690 weight  1.00000E+00 volume  1.88666E+06 ppm1      3.123 ppm2      5.167
 ASSI {  691}   (( segid    A and resid 57   and name  HB2 ))   (( segid    A and resid 21   and name  HB2 ))      4.718     2.998     0.944 peak   691 weight  1.00000E+00 volume  5.36933E+06 ppm1      3.120 ppm2      2.932
 ASSI {  693}   (( segid    A and resid 57   and name  HB2 ))   (( segid    A and resid 42   and name  HN  ))      5.140     3.420     1.028 peak   693 weight  1.00000E+00 volume  3.20983E+06 ppm1      3.117 ppm2      9.081
 ASSI {  694}   (( segid    A and resid 57   and name  HB2 ))   (( segid    A and resid 58   and name  HN  ))      3.373     1.653     0.675 peak   694 weight  1.00000E+00 volume  1.09144E+07 ppm1      3.117 ppm2      8.490
 ASSI {  695}   (( segid    A and resid 57   and name  HB2 ))   (( segid    A and resid 57   and name  HN  ))      4.463     2.743     0.893 peak   695 weight  1.00000E+00 volume  3.27237E+06 ppm1      3.116 ppm2      7.725
 ASSI {  697}   (( segid    A and resid 57   and name  HB2 ))   (( segid    A and resid 58   and name  HA  ))      5.286     3.566     1.057 peak   697 weight  1.00000E+00 volume  2.71502E+06 ppm1      3.118 ppm2      4.230
 ASSI {  701}   (( segid    A and resid 39   and name  HA2 ))   (( segid    A and resid 38   and name  HN  ))      5.288     3.568     1.058 peak   701 weight  1.00000E+00 volume  2.26914E+06 ppm1      4.425 ppm2      8.926
 ASSI {  702}   (( segid    A and resid 39   and name  HA2 ))   (( segid    A and resid 39   and name  HN  ))      3.526     1.806     0.705 peak   702 weight  1.00000E+00 volume  1.37614E+07 ppm1      4.422 ppm2      7.981
 ASSI {  703}   (( segid    A and resid 39   and name  HA2 ))   (( segid    A and resid 39   and name  HA1 ))      3.155     1.435     0.631 peak   703 weight  1.00000E+00 volume  6.00345E+07 ppm1      4.420 ppm2      4.049
 ASSI {  705}   (( segid    A and resid 39   and name  HA1 ))   (( segid    A and resid 39   and name  HN  ))      3.233     1.513     0.647 peak   705 weight  1.00000E+00 volume  1.56847E+07 ppm1      4.059 ppm2      7.977
 ASSI {  707}   (( segid    A and resid 39   and name  HA1 ))   (( segid    A and resid 38   and name  HN  ))      4.484     2.764     0.897 peak   707 weight  1.00000E+00 volume  3.55994E+06 ppm1      4.058 ppm2      8.917
 ASSI {  708}   (( segid    A and resid 39   and name  HA1 ))   (( segid    A and resid 40   and name  HN  ))      4.049     2.329     0.810 peak   708 weight  1.00000E+00 volume  3.44573E+06 ppm1      4.053 ppm2      8.599
 ASSI {  709}   (( segid    A and resid 24   and name  HB2 ))   (( segid    A and resid 35   and name  HB2 ))      4.953     1.753     0.991 peak   709 weight  1.00000E+00 volume  4.01266E+06 ppm1      2.635 ppm2      3.031
 ASSI {  710}   (( segid    A and resid 24   and name  HB2 ))   (( segid    A and resid 28   and name  HB2 ))      4.339     2.619     0.868 peak   710 weight  1.00000E+00 volume  6.89300E+06 ppm1      2.639 ppm2      1.699
 ASSI {  714}   (( segid    A and resid 39   and name  HA2 ))   (( segid    A and resid 35   and name  HB2 ))      5.427     3.707     1.085 peak   714 weight  1.00000E+00 volume  2.31916E+06 ppm1      4.421 ppm2      3.027
 ASSI {  715}   (( segid    A and resid 39   and name  HA2 ))   (( segid    A and resid 40   and name  HN  ))      4.220     2.500     0.844 peak   715 weight  1.00000E+00 volume  3.79351E+06 ppm1      4.425 ppm2      8.598
 ASSI {  716}   (( segid    A and resid 39   and name  HA2 ))   (  segid    A and resid 40   and name  HD# )      5.566     3.846     1.113 peak   716 weight  1.00000E+00 volume  3.98361E+06 ppm1      4.418 ppm2      6.926
 ASSI {  717}   (( segid    A and resid 39   and name  HA1 ))   (( segid    A and resid 35   and name  HB2 ))      5.083     3.363     1.017 peak   717 weight  1.00000E+00 volume  3.43524E+06 ppm1      4.059 ppm2      3.030
 ASSI {  718}   (( segid    A and resid 39   and name  HA1 ))   (  segid    A and resid 40   and name  HD# )      6.289     4.569     0.711 peak   718 weight  1.00000E+00 volume  1.91359E+06 ppm1      4.050 ppm2      6.947
 ASSI {  720}   (( segid    A and resid 24   and name  HB1 ))   (( segid    A and resid 24   and name  HN  ))      3.293     1.573     0.659 peak   720 weight  1.00000E+00 volume  1.67473E+07 ppm1      3.686 ppm2      8.746
 ASSI {  722}   (( segid    A and resid 24   and name  HB1 ))   (( segid    A and resid 35   and name  HB2 ))      4.159     2.439     0.832 peak   722 weight  1.00000E+00 volume  5.49451E+06 ppm1      3.685 ppm2      3.025
 ASSI {  723}   (( segid    A and resid 24   and name  HB1 ))   (( segid    A and resid 24   and name  HB2 ))      3.116     1.396     0.623 peak   723 weight  1.00000E+00 volume  6.47383E+07 ppm1      3.688 ppm2      2.628
 ASSI {  724}   (( segid    A and resid 24   and name  HB1 ))   (( segid    A and resid 28   and name  HB2 ))      4.396     2.676     0.879 peak   724 weight  1.00000E+00 volume  5.01143E+06 ppm1      3.685 ppm2      1.707
 ASSI {  725}   (( segid    A and resid 24   and name  HB1 ))   (  segid    A and resid 29   and name  HB# )      4.923     3.203     0.985 peak   725 weight  1.00000E+00 volume  1.24780E+07 ppm1      3.689 ppm2      1.348
 ASSI {  726}   (( segid    A and resid 24   and name  HB2 ))   (( segid    A and resid 24   and name  HN  ))      4.869     3.149     0.974 peak   726 weight  1.00000E+00 volume  1.33280E+07 ppm1      2.640 ppm2      8.725
 OR {  726}
 ASSI {  729}   (( segid    A and resid 24   and name  HB2 ))   (( segid    A and resid 28   and name  HB1 ))      4.796     3.076     0.959 peak   729 weight  1.00000E+00 volume  3.63012E+06 ppm1      2.635 ppm2      1.880
 ASSI {  730}   (( segid    A and resid 24   and name  HB2 ))   (  segid    A and resid 29   and name  HB# )      4.830     3.110     0.966 peak   730 weight  1.00000E+00 volume  1.30312E+07 ppm1      2.639 ppm2      1.345
 ASSI {  734}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 49   and name  HN  ))      4.906     3.186     0.981 peak   734 weight  1.00000E+00 volume  2.08365E+06 ppm1      4.360 ppm2     10.082
 ASSI {  735}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 46   and name  HN  ))      3.810     2.090     0.762 peak   735 weight  1.00000E+00 volume  1.02578E+07 ppm1      4.362 ppm2      9.242
 ASSI {  736}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 47   and name  HN  ))      4.030     2.310     0.806 peak   736 weight  1.00000E+00 volume  5.85938E+06 ppm1      4.362 ppm2      9.035
 ASSI {  737}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 51   and name  HN  ))      4.413     2.693     0.883 peak   737 weight  1.00000E+00 volume  4.90973E+06 ppm1      4.360 ppm2      7.277
 ASSI {  738}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 15   and name  HA  ))      4.920     3.200     0.984 peak   738 weight  1.00000E+00 volume  2.42163E+06 ppm1      4.361 ppm2      5.572
 ASSI {  739}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 45   and name  HA  ))      5.257     3.537     1.051 peak   739 weight  1.00000E+00 volume  2.80438E+06 ppm1      4.361 ppm2      5.098
 ASSI {  741}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 9    and name  HB1 ))      4.360     2.640     0.872 peak   741 weight  1.00000E+00 volume  4.52200E+06 ppm1      4.363 ppm2      3.641
 ASSI {  742}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 46   and name  HB1 ))      3.294     1.574     0.659 peak   742 weight  1.00000E+00 volume  4.63355E+07 ppm1      4.361 ppm2      2.727
 ASSI {  743}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 13   and name  HB1 ))      4.439     0.200     0.888 peak   743 weight  1.00000E+00 volume  7.73619E+06 ppm1      4.362 ppm2      2.106
 ASSI {  744}   (( segid    A and resid 46   and name  HB2 ))   (  segid    A and resid 44   and name  HD1#)      6.264     4.544     0.736 peak   744 weight  1.00000E+00 volume  1.49882E+06 ppm1      4.361 ppm2      0.600
 ASSI {  745}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 14   and name  HN  ))      5.801     4.081     1.160 peak   745 weight  1.00000E+00 volume  1.55366E+06 ppm1      4.355 ppm2      8.196
 ASSI {  746}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 50   and name  HN  ))      4.956     3.236     0.991 peak   746 weight  1.00000E+00 volume  1.86893E+06 ppm1      4.354 ppm2      7.615
 ASSI {  747}   (  segid    A and resid 3    and name  HA# )   (( segid    A and resid 4    and name  HN  ))      4.016     2.296     0.803 peak   747 weight  1.00000E+00 volume  4.10709E+06 ppm1      3.972 ppm2      8.141
 ASSI {  748}   (  segid    A and resid 3    and name  HA# )   (( segid    A and resid 4    and name  HA  ))      4.619     2.899     0.924 peak   748 weight  1.00000E+00 volume  1.21972E+07 ppm1      3.973 ppm2      4.449
 ASSI {  749}   (( segid    A and resid 46   and name  HB1 ))   (( segid    A and resid 50   and name  HN  ))      4.690     2.970     0.938 peak   749 weight  1.00000E+00 volume  1.87421E+06 ppm1      2.747 ppm2      7.602
 ASSI {  750}   (( segid    A and resid 46   and name  HB1 ))   (( segid    A and resid 49   and name  HN  ))      5.413     3.693     1.083 peak   750 weight  1.00000E+00 volume  2.02602E+06 ppm1      2.738 ppm2     10.073
 ASSI {  751}   (( segid    A and resid 46   and name  HB1 ))   (( segid    A and resid 46   and name  HN  ))      3.312     1.592     0.662 peak   751 weight  1.00000E+00 volume  1.59954E+07 ppm1      2.739 ppm2      9.243
 ASSI {  752}   (( segid    A and resid 46   and name  HB1 ))   (( segid    A and resid 51   and name  HN  ))      3.788     2.068     0.758 peak   752 weight  1.00000E+00 volume  7.07100E+06 ppm1      2.738 ppm2      7.277
 ASSI {  756}   (( segid    A and resid 46   and name  HB1 ))   (( segid    A and resid 9    and name  HB1 ))      4.884     3.164     0.977 peak   756 weight  1.00000E+00 volume  4.36267E+06 ppm1      2.740 ppm2      3.640
 ASSI {  757}   (( segid    A and resid 46   and name  HB1 ))   (( segid    A and resid 13   and name  HB1 ))      4.360     2.640     0.872 peak   757 weight  1.00000E+00 volume  4.02380E+06 ppm1      2.743 ppm2      2.101
 ASSI {  758}   (( segid    A and resid 46   and name  HB1 ))   (( segid    A and resid 51   and name  HB1 ))      4.583     2.863     0.917 peak   758 weight  1.00000E+00 volume  6.38742E+06 ppm1      2.740 ppm2      1.809
 ASSI {  759}   (( segid    A and resid 46   and name  HB1 ))   (( segid    A and resid 47   and name  HN  ))      4.653     2.933     0.931 peak   759 weight  1.00000E+00 volume  3.40376E+06 ppm1      2.737 ppm2      9.034
 ASSI {  760}   (( segid    A and resid 46   and name  HB1 ))   (  segid    A and resid 45   and name  HG2#)      6.326     4.606     0.674 peak   760 weight  1.00000E+00 volume  2.77088E+06 ppm1      2.737 ppm2      0.966
 ASSI {  761}   (( segid    A and resid 51   and name  HD1 ))   (( segid    A and resid 51   and name  HN  ))      5.177     3.457     1.035 peak   761 weight  1.00000E+00 volume  1.91788E+06 ppm1      3.281 ppm2      7.273
 ASSI {  764}   (( segid    A and resid 51   and name  HD1 ))   (( segid    A and resid 51   and name  HB1 ))      4.028     2.308     0.806 peak   764 weight  1.00000E+00 volume  1.38710E+07 ppm1      3.277 ppm2      1.814
 ASSI {  765}   (( segid    A and resid 51   and name  HD1 ))   (  segid    A and resid 51   and name  HG# )      4.035     2.315     0.807 peak   765 weight  1.00000E+00 volume  2.74279E+07 ppm1      3.278 ppm2      1.657
 ASSI {  766}   (( segid    A and resid 51   and name  HD1 ))   (( segid    A and resid 52   and name  HN  ))      5.159     3.439     1.032 peak   766 weight  1.00000E+00 volume  1.33214E+06 ppm1      3.271 ppm2      8.480
 ASSI {  768}   (( segid    A and resid 51   and name  HD2 ))   (( segid    A and resid 52   and name  HN  ))      5.916     4.196     1.084 peak   768 weight  1.00000E+00 volume  1.38091E+06 ppm1      3.229 ppm2      8.473
 ASSI {  769}   (( segid    A and resid 51   and name  HD2 ))   (( segid    A and resid 51   and name  HA  ))      4.636     2.916     0.927 peak   769 weight  1.00000E+00 volume  4.38468E+06 ppm1      3.230 ppm2      4.257
 ASSI {  771}   (( segid    A and resid 51   and name  HD2 ))   (( segid    A and resid 51   and name  HB1 ))      3.977     2.257     0.795 peak   771 weight  1.00000E+00 volume  1.49569E+07 ppm1      3.230 ppm2      1.811
 ASSI {  772}   (( segid    A and resid 51   and name  HD2 ))   (  segid    A and resid 51   and name  HG# )      3.976     2.256     0.795 peak   772 weight  1.00000E+00 volume  3.00007E+07 ppm1      3.228 ppm2      1.656
 ASSI {  773}   (( segid    A and resid 51   and name  HD2 ))   (( segid    A and resid 51   and name  HN  ))      4.856     3.136     0.971 peak   773 weight  1.00000E+00 volume  2.28510E+06 ppm1      3.219 ppm2      7.283
 ASSI {  779}   (( segid    A and resid 35   and name  HB1 ))   (  segid    A and resid 32   and name  HG2#)      6.315     4.595     0.685 peak   779 weight  1.00000E+00 volume  2.80111E+06 ppm1      3.345 ppm2      0.809
 ASSI {  780}   (( segid    A and resid 35   and name  HB1 ))   (( segid    A and resid 36   and name  HN  ))      4.203     2.483     0.841 peak   780 weight  1.00000E+00 volume  3.66236E+06 ppm1      3.341 ppm2      8.205
 ASSI {  781}   (( segid    A and resid 35   and name  HB1 ))   (( segid    A and resid 35   and name  HN  ))      3.199     1.479     0.640 peak   781 weight  1.00000E+00 volume  1.77741E+07 ppm1      3.340 ppm2      7.887
 ASSI {  783}   (( segid    A and resid 35   and name  HB1 ))   (( segid    A and resid 24   and name  HB1 ))      4.803     3.083     0.961 peak   783 weight  1.00000E+00 volume  4.82674E+06 ppm1      3.341 ppm2      3.683
 ASSI {  784}   (( segid    A and resid 35   and name  HB1 ))   (( segid    A and resid 35   and name  HB2 ))      3.135     1.415     0.627 peak   784 weight  1.00000E+00 volume  4.77826E+07 ppm1      3.341 ppm2      3.025
 ASSI {  785}   (( segid    A and resid 35   and name  HB1 ))   (  segid    A and resid 29   and name  HB# )      5.260     3.540     1.052 peak   785 weight  1.00000E+00 volume  8.19409E+06 ppm1      3.341 ppm2      1.342
 ASSI {  786}   (( segid    A and resid 35   and name  HB1 ))   (  segid    A and resid 41   and name  HG1#)      6.169     4.449     0.831 peak   786 weight  1.00000E+00 volume  2.73838E+06 ppm1      3.341 ppm2      0.601
 ASSI {  788}   (  segid    A and resid 65   and name  HD# )   (( segid    A and resid 65   and name  HN  ))      7.000     5.280     0.000 peak   788 weight  1.00000E+00 volume  7.23422E+05 ppm1      3.210 ppm2      8.002
 ASSI {  790}   (( segid    A and resid 35   and name  HB2 ))   (  segid    A and resid 41   and name  HG1#)      5.906     4.186     1.094 peak   790 weight  1.00000E+00 volume  4.18607E+06 ppm1      3.037 ppm2      0.606
 ASSI {  792}   (( segid    A and resid 35   and name  HB2 ))   (( segid    A and resid 35   and name  HN  ))      3.631     1.911     0.726 peak   792 weight  1.00000E+00 volume  1.36187E+07 ppm1      3.036 ppm2      7.885
 ASSI {  793}   (  segid    A and resid 58   and name  HD# )   (( segid    A and resid 38   and name  HB  ))      5.293     3.573     1.059 peak   793 weight  1.00000E+00 volume  5.38721E+06 ppm1      3.035 ppm2      4.660
 ASSI {  794}   (  segid    A and resid 58   and name  HD# )   (( segid    A and resid 58   and name  HA  ))      4.909     3.189     0.982 peak   794 weight  1.00000E+00 volume  8.46760E+06 ppm1      3.037 ppm2      4.216
 ASSI {  795}   (( segid    A and resid 35   and name  HB2 ))   (( segid    A and resid 35   and name  HA  ))      4.160     2.440     0.832 peak   795 weight  1.00000E+00 volume  2.28585E+07 ppm1      3.037 ppm2      3.962
 OR {  795}
   (( segid    A and resid 35   and name  HB2 ))   (( segid    A and resid 29   and name  HA  )) ASSI {  796}   (  segid    A and resid 58   and name  HD# )   (( segid    A and resid 58   and name  HB2 ))      4.290     2.570     0.858 peak   796 weight  1.00000E+00 volume  1.89873E+07 ppm1      3.036 ppm2      1.685
 ASSI {  797}   (  segid    A and resid 58   and name  HD# )   (( segid    A and resid 58   and name  HG2 ))      3.627     1.907     0.725 peak   797 weight  1.00000E+00 volume  5.20169E+07 ppm1      3.035 ppm2      1.526
 ASSI {  798}   (  segid    A and resid 50   and name  HE# )   (( segid    A and resid 50   and name  HB2 ))      5.643     3.923     1.129 peak   798 weight  1.00000E+00 volume  3.66740E+06 ppm1      3.002 ppm2      1.935
 ASSI {  799}   (  segid    A and resid 15   and name  HB# )   (( segid    A and resid 16   and name  HN  ))      3.679     1.959     0.736 peak   799 weight  1.00000E+00 volume  1.65751E+07 ppm1      2.927 ppm2      8.449
 ASSI {  804}   (  segid    A and resid 15   and name  HB# )   (( segid    A and resid 45   and name  HN  ))      4.740     3.020     0.948 peak   804 weight  1.00000E+00 volume  8.32609E+06 ppm1      2.924 ppm2      9.022
 ASSI {  805}   (  segid    A and resid 15   and name  HB# )   (( segid    A and resid 15   and name  HN  ))      4.359     2.639     0.872 peak   805 weight  1.00000E+00 volume  5.24168E+06 ppm1      2.901 ppm2      8.101
 ASSI {  806}   (  segid    A and resid 15   and name  HB# )   (( segid    A and resid 44   and name  HA  ))      4.936     3.216     0.987 peak   806 weight  1.00000E+00 volume  1.80920E+06 ppm1      2.927 ppm2      5.124
 ASSI {  807}   (  segid    A and resid 15   and name  HB# )   (  segid    A and resid 16   and name  HG2#)      6.289     4.569     0.711 peak   807 weight  1.00000E+00 volume  5.74445E+06 ppm1      2.924 ppm2      0.828
 ASSI {  808}   (  segid    A and resid 15   and name  HB# )   (  segid    A and resid 44   and name  HD1#)      4.998     3.278     1.000 peak   808 weight  1.00000E+00 volume  1.64582E+07 ppm1      2.925 ppm2      0.590
 ASSI {  809}   (( segid    A and resid 28   and name  HD1 ))   (( segid    A and resid 24   and name  HA  ))      3.827     2.107     0.765 peak   809 weight  1.00000E+00 volume  1.08243E+07 ppm1      2.895 ppm2      4.392
 ASSI {  810}   (  segid    A and resid 15   and name  HB# )   (( segid    A and resid 44   and name  HB  ))      4.558     2.838     0.912 peak   810 weight  1.00000E+00 volume  1.00144E+07 ppm1      2.925 ppm2      1.912
 ASSI {  811}   (( segid    A and resid 28   and name  HD1 ))   (( segid    A and resid 28   and name  HB2 ))      4.552     2.832     0.910 peak   811 weight  1.00000E+00 volume  6.65866E+06 ppm1      2.894 ppm2      1.702
 ASSI {  814}   (( segid    A and resid 28   and name  HD1 ))   (( segid    A and resid 28   and name  HD2 ))      3.061     1.341     0.612 peak   814 weight  1.00000E+00 volume  7.20014E+07 ppm1      2.893 ppm2      2.632
 ASSI {  815}   (( segid    A and resid 28   and name  HD1 ))   (  segid    A and resid 28   and name  HG# )      4.126     2.406     0.825 peak   815 weight  1.00000E+00 volume  2.40117E+07 ppm1      2.893 ppm2      1.457
 ASSI {  819}   (( segid    A and resid 28   and name  HD2 ))   (( segid    A and resid 28   and name  HB2 ))      4.353     2.633     0.871 peak   819 weight  1.00000E+00 volume  4.74444E+06 ppm1      2.643 ppm2      1.703
 ASSI {  820}   (( segid    A and resid 28   and name  HD2 ))   (  segid    A and resid 28   and name  HG# )      4.025     2.305     0.805 peak   820 weight  1.00000E+00 volume  2.63242E+07 ppm1      2.642 ppm2      1.457
 ASSI {  821}   (( segid    A and resid 28   and name  HD2 ))   (  segid    A and resid 41   and name  HG2#)      4.250     2.530     0.850 peak   821 weight  1.00000E+00 volume  1.09582E+07 ppm1      2.643 ppm2      0.710
 ASSI {  823}   (( segid    A and resid 28   and name  HD2 ))   (( segid    A and resid 24   and name  HA  ))      3.640     1.920     0.728 peak   823 weight  1.00000E+00 volume  3.44688E+06 ppm1      2.641 ppm2      4.405
 ASSI {  824}   (( segid    A and resid 28   and name  HD2 ))   (( segid    A and resid 28   and name  HB1 ))      4.712     2.992     0.942 peak   824 weight  1.00000E+00 volume  5.13309E+06 ppm1      2.642 ppm2      1.876
 ASSI {  825}   (  segid    A and resid 11   and name  HB# )   (( segid    A and resid 13   and name  HN  ))      5.385     3.665     1.077 peak   825 weight  1.00000E+00 volume  1.90280E+06 ppm1      1.381 ppm2      8.188
 ASSI {  826}   (  segid    A and resid 11   and name  HB# )   (( segid    A and resid 8    and name  HD2 ))      4.332     2.612     0.866 peak   826 weight  1.00000E+00 volume  1.86191E+06 ppm1      1.379 ppm2      3.668
 ASSI {  827}   (  segid    A and resid 11   and name  HB# )   (( segid    A and resid 12   and name  HN  ))      4.144     2.424     0.829 peak   827 weight  1.00000E+00 volume  1.03493E+07 ppm1      1.369 ppm2      7.311
 ASSI {  828}   (  segid    A and resid 11   and name  HB# )   (( segid    A and resid 11   and name  HN  ))      3.313     1.593     0.663 peak   828 weight  1.00000E+00 volume  2.67074E+07 ppm1      1.370 ppm2      6.987
 ASSI {  831}   (  segid    A and resid 11   and name  HB# )   (( segid    A and resid 8    and name  HD1 ))      4.201     2.481     0.840 peak   831 weight  1.00000E+00 volume  3.79400E+06 ppm1      1.371 ppm2      3.222
 ASSI {  832}   (  segid    A and resid 11   and name  HB# )   (( segid    A and resid 7    and name  HB1 ))      4.914     3.194     0.983 peak   832 weight  1.00000E+00 volume  6.38063E+06 ppm1      1.371 ppm2      2.907
 ASSI {  833}   (  segid    A and resid 11   and name  HB# )   (( segid    A and resid 7    and name  HB2 ))      5.401     3.681     1.080 peak   833 weight  1.00000E+00 volume  2.84025E+06 ppm1      1.373 ppm2      2.728
 ASSI {  834}   (  segid    A and resid 11   and name  HB# )   (  segid    A and resid 11   and name  HD1#)      4.666     2.946     0.933 peak   834 weight  1.00000E+00 volume  6.88859E+07 ppm1      1.370 ppm2      0.601
 OR {  834}
   (  segid    A and resid 11   and name  HB# )   (  segid    A and resid 11   and name  HD2#) ASSI {  835}   (  segid    A and resid 5    and name  HE# )   (  segid    A and resid 5    and name  HG# )      5.460     3.740     1.092 peak   835 weight  1.00000E+00 volume  8.93787E+06 ppm1      2.973 ppm2      1.357
 ASSI {  836}   (  segid    A and resid 30   and name  HE# )   (  segid    A and resid 30   and name  HD# )      4.598     2.878     0.920 peak   836 weight  1.00000E+00 volume  2.11393E+07 ppm1      2.946 ppm2      1.633
 ASSI {  838}   (  segid    A and resid 61   and name  HB# )   (  segid    A and resid 61   and name  HD2#)      5.026     3.306     1.005 peak   838 weight  1.00000E+00 volume  2.20362E+07 ppm1      1.588 ppm2      0.892
 ASSI {  839}   (  segid    A and resid 61   and name  HB# )   (( segid    A and resid 61   and name  HN  ))      3.316     1.596     0.663 peak   839 weight  1.00000E+00 volume  2.52669E+07 ppm1      1.586 ppm2      7.958
 ASSI {  841}   (  segid    A and resid 61   and name  HB# )   (( segid    A and resid 62   and name  HA  ))      6.978     5.258     0.022 peak   841 weight  1.00000E+00 volume  1.02592E+06 ppm1      1.578 ppm2      4.405
 ASSI {  842}   (( segid    A and resid 9    and name  HB1 ))   (( segid    A and resid 51   and name  HN  ))      5.716     3.996     1.143 peak   842 weight  1.00000E+00 volume  1.69748E+06 ppm1      3.652 ppm2      7.288
 ASSI {  844}   (( segid    A and resid 9    and name  HB1 ))   (( segid    A and resid 9    and name  HN  ))      3.992     2.272     0.798 peak   844 weight  1.00000E+00 volume  1.02277E+07 ppm1      3.647 ppm2      9.666
 ASSI {  846}   (( segid    A and resid 9    and name  HB1 ))   (( segid    A and resid 9    and name  HB2 ))      3.140     1.420     0.628 peak   846 weight  1.00000E+00 volume  6.11804E+07 ppm1      3.649 ppm2      3.100
 ASSI {  847}   (( segid    A and resid 9    and name  HB1 ))   (  segid    A and resid 12   and name  HG2#)      5.727     4.007     1.145 peak   847 weight  1.00000E+00 volume  3.61194E+06 ppm1      3.650 ppm2      0.930
 ASSI {  848}   (( segid    A and resid 9    and name  HB2 ))   (( segid    A and resid 10   and name  HN  ))      4.903     3.183     0.981 peak   848 weight  1.00000E+00 volume  2.11258E+06 ppm1      3.113 ppm2      6.691
 ASSI {  849}   (( segid    A and resid 9    and name  HB2 ))   (( segid    A and resid 9    and name  HN  ))      3.540     1.820     0.708 peak   849 weight  1.00000E+00 volume  1.53642E+07 ppm1      3.107 ppm2      9.668
 ASSI {  852}   (( segid    A and resid 9    and name  HB2 ))   (  segid    A and resid 12   and name  HG2#)      6.153     4.433     0.847 peak   852 weight  1.00000E+00 volume  3.14789E+06 ppm1      3.107 ppm2      0.927
 ASSI {  853}   (( segid    A and resid 40   and name  HB1 ))   (( segid    A and resid 40   and name  HN  ))      3.696     1.976     0.739 peak   853 weight  1.00000E+00 volume  9.64114E+06 ppm1      2.920 ppm2      8.580
 ASSI {  855}   (( segid    A and resid 40   and name  HB1 ))   (( segid    A and resid 57   and name  HN  ))      4.499     2.779     0.900 peak   855 weight  1.00000E+00 volume  3.01325E+06 ppm1      2.912 ppm2      7.709
 ASSI {  857}   (( segid    A and resid 40   and name  HB1 ))   (( segid    A and resid 40   and name  HB2 ))      3.226     1.506     0.645 peak   857 weight  1.00000E+00 volume  4.61711E+07 ppm1      2.913 ppm2      2.694
 ASSI {  859}   (( segid    A and resid 40   and name  HB2 ))   (( segid    A and resid 41   and name  HN  ))      3.832     2.112     0.766 peak   859 weight  1.00000E+00 volume  1.07777E+07 ppm1      2.701 ppm2      8.525
 ASSI {  860}   (( segid    A and resid 40   and name  HB2 ))   (( segid    A and resid 57   and name  HN  ))      4.812     3.092     0.962 peak   860 weight  1.00000E+00 volume  2.26741E+06 ppm1      2.701 ppm2      7.717
 ASSI {  865}   (  segid    A and resid 54   and name  HB# )   (( segid    A and resid 41   and name  HB  ))      4.568     2.848     0.914 peak   865 weight  1.00000E+00 volume  1.30353E+07 ppm1      2.694 ppm2      2.019
 ASSI {  866}   (  segid    A and resid 54   and name  HB# )   (( segid    A and resid 34   and name  HB2 ))      5.194     3.474     1.039 peak   866 weight  1.00000E+00 volume  6.02924E+06 ppm1      2.690 ppm2      1.754
 ASSI {  867}   (  segid    A and resid 54   and name  HB# )   (  segid    A and resid 41   and name  HG2#)      4.886     3.166     0.977 peak   867 weight  1.00000E+00 volume  1.53019E+07 ppm1      2.692 ppm2      0.713
 ASSI {  868}   (  segid    A and resid 54   and name  HB# )   (( segid    A and resid 54   and name  HN  ))      3.681     1.961     0.736 peak   868 weight  1.00000E+00 volume  2.07517E+07 ppm1      2.684 ppm2      8.860
 ASSI {  871}   (( segid    A and resid 43   and name  HE2 ))   (  segid    A and resid 54   and name  HE# )      5.522     3.802     1.104 peak   871 weight  1.00000E+00 volume  4.17746E+06 ppm1      2.544 ppm2      7.298
 ASSI {  873}   (( segid    A and resid 43   and name  HE2 ))   (( segid    A and resid 52   and name  HB2 ))      4.364     2.644     0.873 peak   873 weight  1.00000E+00 volume  8.57060E+06 ppm1      2.543 ppm2      2.246
 ASSI {  874}   (( segid    A and resid 43   and name  HE2 ))   (( segid    A and resid 43   and name  HB2 ))      4.800     3.080     0.960 peak   874 weight  1.00000E+00 volume  4.83904E+06 ppm1      2.545 ppm2      1.582
 ASSI {  875}   (( segid    A and resid 43   and name  HE2 ))   (  segid    A and resid 43   and name  HD# )      4.457     2.737     0.891 peak   875 weight  1.00000E+00 volume  1.51109E+07 ppm1      2.542 ppm2      1.351
 ASSI {  876}   (( segid    A and resid 43   and name  HE2 ))   (( segid    A and resid 43   and name  HG2 ))      4.727     3.007     0.945 peak   876 weight  1.00000E+00 volume  5.30544E+06 ppm1      2.541 ppm2      0.896
 ASSI {  877}   (( segid    A and resid 43   and name  HE2 ))   (( segid    A and resid 43   and name  HG1 ))      4.594     2.874     0.919 peak   877 weight  1.00000E+00 volume  6.29612E+06 ppm1      2.542 ppm2      0.582
 ASSI {  878}   (( segid    A and resid 43   and name  HE1 ))   (( segid    A and resid 43   and name  HB2 ))      4.203     2.483     0.841 peak   878 weight  1.00000E+00 volume  4.72500E+06 ppm1      2.474 ppm2      1.577
 ASSI {  879}   (( segid    A and resid 43   and name  HE1 ))   (  segid    A and resid 43   and name  HD# )      4.498     2.778     0.900 peak   879 weight  1.00000E+00 volume  1.42978E+07 ppm1      2.472 ppm2      1.345
 ASSI {  880}   (( segid    A and resid 43   and name  HE1 ))   (( segid    A and resid 43   and name  HG2 ))      4.630     2.910     0.926 peak   880 weight  1.00000E+00 volume  6.00884E+06 ppm1      2.473 ppm2      0.892
 ASSI {  881}   (( segid    A and resid 43   and name  HE1 ))   (( segid    A and resid 43   and name  HG1 ))      4.749     3.029     0.950 peak   881 weight  1.00000E+00 volume  5.16118E+06 ppm1      2.475 ppm2      0.585
 ASSI {  882}   (( segid    A and resid 43   and name  HE1 ))   (  segid    A and resid 54   and name  HE# )      5.600     3.880     1.120 peak   882 weight  1.00000E+00 volume  3.83979E+06 ppm1      2.470 ppm2      7.293
 ASSI {  884}   (( segid    A and resid 44   and name  HB  ))   (( segid    A and resid 53   and name  HN  ))      5.530     3.810     1.106 peak   884 weight  1.00000E+00 volume  2.07072E+06 ppm1      1.920 ppm2      8.671
 ASSI {  885}   (( segid    A and resid 44   and name  HB  ))   (  segid    A and resid 15   and name  HE# )      5.594     3.874     1.119 peak   885 weight  1.00000E+00 volume  3.86439E+06 ppm1      1.920 ppm2      7.380
 ASSI {  886}   (( segid    A and resid 44   and name  HB  ))   (( segid    A and resid 44   and name  HN  ))      3.933     2.213     0.787 peak   886 weight  1.00000E+00 volume  7.55428E+06 ppm1      1.919 ppm2      9.277
 ASSI {  887}   (( segid    A and resid 44   and name  HB  ))   (( segid    A and resid 45   and name  HN  ))      3.519     1.799     0.704 peak   887 weight  1.00000E+00 volume  1.32063E+07 ppm1      1.919 ppm2      9.003
 ASSI {  888}   (( segid    A and resid 44   and name  HB  ))   (( segid    A and resid 16   and name  HN  ))      4.527     2.807     0.905 peak   888 weight  1.00000E+00 volume  3.19769E+06 ppm1      1.918 ppm2      8.458
 ASSI {  892}   (( segid    A and resid 44   and name  HB  ))   (( segid    A and resid 17   and name  HA  ))      4.955     3.235     0.991 peak   892 weight  1.00000E+00 volume  4.00297E+06 ppm1      1.920 ppm2      4.056
 ASSI {  896}   (( segid    A and resid 44   and name  HB  ))   (( segid    A and resid 44   and name  HG12))      4.184     2.464     0.837 peak   896 weight  1.00000E+00 volume  1.10323E+07 ppm1      1.919 ppm2      1.101
 ASSI {  897}   (( segid    A and resid 44   and name  HB  ))   (  segid    A and resid 44   and name  HG2#)      3.931     2.211     0.786 peak   897 weight  1.00000E+00 volume  4.81572E+07 ppm1      1.919 ppm2      0.654
 ASSI {  898}   (( segid    A and resid 9    and name  HB1 ))   (( segid    A and resid 10   and name  HN  ))      4.762     3.042     0.952 peak   898 weight  1.00000E+00 volume  1.64961E+06 ppm1      3.653 ppm2      6.680
 ASSI {  899}   (( segid    A and resid 21   and name  HB1 ))   (( segid    A and resid 22   and name  HN  ))      4.000     2.280     0.000 peak   899 weight  1.00000E+00 volume  3.81290E+06 ppm1      3.161 ppm2      8.908
 ASSI {  901}   (( segid    A and resid 21   and name  HB1 ))   (( segid    A and resid 21   and name  HN  ))      3.119     1.399     0.624 peak   901 weight  1.00000E+00 volume  2.64269E+07 ppm1      3.156 ppm2      9.075
 ASSI {  904}   (( segid    A and resid 21   and name  HB1 ))   (( segid    A and resid 21   and name  HB2 ))      3.024     1.304     0.605 peak   904 weight  1.00000E+00 volume  7.07984E+07 ppm1      3.157 ppm2      2.925
 ASSI {  905}   (( segid    A and resid 21   and name  HB1 ))   (( segid    A and resid 42   and name  HG1 ))      4.282     2.562     0.856 peak   905 weight  1.00000E+00 volume  9.60147E+06 ppm1      3.156 ppm2      2.157
 ASSI {  906}   (( segid    A and resid 21   and name  HB1 ))   (( segid    A and resid 42   and name  HB1 ))      4.199     2.479     0.840 peak   906 weight  1.00000E+00 volume  6.07558E+06 ppm1      3.157 ppm2      1.878
 ASSI {  908}   (( segid    A and resid 21   and name  HB2 ))   (( segid    A and resid 20   and name  HA  ))      4.572     2.852     1.128 peak   908 weight  1.00000E+00 volume  6.48189E+06 ppm1      2.935 ppm2      4.111
 ASSI {  909}   (( segid    A and resid 21   and name  HB2 ))   (( segid    A and resid 42   and name  HG1 ))      4.601     2.881     0.920 peak   909 weight  1.00000E+00 volume  6.24179E+06 ppm1      2.941 ppm2      2.172
 ASSI {  910}   (( segid    A and resid 21   and name  HB2 ))   (( segid    A and resid 21   and name  HN  ))      3.271     1.551     0.654 peak   910 weight  1.00000E+00 volume  2.28580E+07 ppm1      2.932 ppm2      9.074
 ASSI {  911}   (( segid    A and resid 21   and name  HB2 ))   (( segid    A and resid 22   and name  HN  ))      4.518     2.798     0.904 peak   911 weight  1.00000E+00 volume  4.98486E+06 ppm1      2.932 ppm2      8.904
 ASSI {  916}   (( segid    A and resid 40   and name  HB1 ))   (  segid    A and resid 38   and name  HG2#)      5.679     3.959     1.136 peak   916 weight  1.00000E+00 volume  3.07258E+06 ppm1      2.910 ppm2      1.043
 ASSI {  919}   (( segid    A and resid 52   and name  HB1 ))   (  segid    A and resid 43   and name  HD# )      5.652     3.932     1.130 peak   919 weight  1.00000E+00 volume  3.63198E+06 ppm1      2.612 ppm2      1.340
 ASSI {  920}   (( segid    A and resid 52   and name  HB1 ))   (( segid    A and resid 52   and name  HN  ))      3.286     1.566     0.657 peak   920 weight  1.00000E+00 volume  1.60596E+07 ppm1      2.602 ppm2      8.479
 ASSI {  923}   (( segid    A and resid 52   and name  HB1 ))   (( segid    A and resid 51   and name  HA  ))      4.913     3.193     0.983 peak   923 weight  1.00000E+00 volume  4.21325E+06 ppm1      2.602 ppm2      4.253
 ASSI {  924}   (( segid    A and resid 52   and name  HB1 ))   (( segid    A and resid 52   and name  HB2 ))      2.954     1.234     0.591 peak   924 weight  1.00000E+00 volume  8.03042E+07 ppm1      2.604 ppm2      2.223
 ASSI {  925}   (( segid    A and resid 52   and name  HB1 ))   (( segid    A and resid 43   and name  HG2 ))      5.012     3.292     1.002 peak   925 weight  1.00000E+00 volume  3.73737E+06 ppm1      2.607 ppm2      0.897
 ASSI {  926}   (( segid    A and resid 52   and name  HB1 ))   (( segid    A and resid 43   and name  HG1 ))      5.014     3.294     1.003 peak   926 weight  1.00000E+00 volume  3.72770E+06 ppm1      2.606 ppm2      0.586
 ASSI {  927}   (( segid    A and resid 52   and name  HB1 ))   (( segid    A and resid 53   and name  HN  ))      3.855     2.135     0.771 peak   927 weight  1.00000E+00 volume  5.27626E+06 ppm1      2.601 ppm2      8.667
 ASSI {  929}   (( segid    A and resid 52   and name  HB2 ))   (  segid    A and resid 43   and name  HD# )      5.325     3.605     1.065 peak   929 weight  1.00000E+00 volume  5.19632E+06 ppm1      2.235 ppm2      1.339
 ASSI {  930}   (( segid    A and resid 52   and name  HB2 ))   (( segid    A and resid 53   and name  HN  ))      3.874     2.154     0.775 peak   930 weight  1.00000E+00 volume  7.89020E+06 ppm1      2.233 ppm2      8.666
 ASSI {  931}   (( segid    A and resid 52   and name  HB2 ))   (( segid    A and resid 52   and name  HN  ))      3.777     2.057     0.755 peak   931 weight  1.00000E+00 volume  1.01429E+07 ppm1      2.232 ppm2      8.478
 ASSI {  932}   (( segid    A and resid 52   and name  HB2 ))   (( segid    A and resid 52   and name  HD22))      4.649     2.929     0.930 peak   932 weight  1.00000E+00 volume  4.16075E+06 ppm1      2.231 ppm2      7.351
 ASSI {  934}   (( segid    A and resid 52   and name  HB2 ))   (( segid    A and resid 45   and name  HA  ))      5.182     3.462     1.036 peak   934 weight  1.00000E+00 volume  2.49363E+06 ppm1      2.231 ppm2      5.092
 ASSI {  936}   (( segid    A and resid 52   and name  HB2 ))   (( segid    A and resid 51   and name  HA  ))      5.367     3.647     1.073 peak   936 weight  1.00000E+00 volume  2.47854E+06 ppm1      2.228 ppm2      4.256
 ASSI {  938}   (( segid    A and resid 52   and name  HB2 ))   (( segid    A and resid 43   and name  HG2 ))      4.745     3.025     0.949 peak   938 weight  1.00000E+00 volume  5.18940E+06 ppm1      2.232 ppm2      0.905
 ASSI {  939}   (( segid    A and resid 52   and name  HB2 ))   (( segid    A and resid 43   and name  HG1 ))      4.815     3.095     0.963 peak   939 weight  1.00000E+00 volume  4.75270E+06 ppm1      2.232 ppm2      0.583
 ASSI {  940}   (( segid    A and resid 55   and name  HE1 ))   (  segid    A and resid 15   and name  HE# )      5.839     4.119     1.161 peak   940 weight  1.00000E+00 volume  2.98834E+06 ppm1      2.004 ppm2      7.385
 ASSI {  941}   (( segid    A and resid 55   and name  HE1 ))   (( segid    A and resid 10   and name  HE3 ))      4.582     2.862     0.916 peak   941 weight  1.00000E+00 volume  6.39577E+06 ppm1      2.004 ppm2      7.243
 ASSI {  942}   (( segid    A and resid 55   and name  HE1 ))   (( segid    A and resid 10   and name  HB1 ))      5.124     3.404     1.025 peak   942 weight  1.00000E+00 volume  3.27317E+06 ppm1      2.007 ppm2      2.180
 ASSI {  943}   (( segid    A and resid 55   and name  HE1 ))   (( segid    A and resid 55   and name  HE2 ))      3.160     1.440     0.632 peak   943 weight  1.00000E+00 volume  5.94241E+07 ppm1      2.005 ppm2      1.598
 ASSI {  944}   (( segid    A and resid 55   and name  HE1 ))   (( segid    A and resid 55   and name  HD2 ))      4.025     2.305     0.805 peak   944 weight  1.00000E+00 volume  1.39212E+07 ppm1      2.004 ppm2      0.790
 ASSI {  945}   (( segid    A and resid 55   and name  HE1 ))   (( segid    A and resid 55   and name  HG2 ))      4.236     2.516     0.847 peak   945 weight  1.00000E+00 volume  9.44652E+06 ppm1      2.004 ppm2      0.586
 ASSI {  946}   (( segid    A and resid 55   and name  HE1 ))   (( segid    A and resid 55   and name  HD1 ))      3.969     2.249     0.794 peak   946 weight  1.00000E+00 volume  1.51540E+07 ppm1      2.003 ppm2     -0.401
 ASSI {  951}   (( segid    A and resid 55   and name  HE2 ))   (( segid    A and resid 55   and name  HD2 ))      4.264     2.544     0.853 peak   951 weight  1.00000E+00 volume  9.85974E+06 ppm1      1.611 ppm2      0.788
 ASSI {  952}   (( segid    A and resid 55   and name  HE2 ))   (( segid    A and resid 55   and name  HG2 ))      4.193     2.473     0.839 peak   952 weight  1.00000E+00 volume  1.08945E+07 ppm1      1.611 ppm2      0.580
 ASSI {  953}   (( segid    A and resid 55   and name  HE2 ))   (( segid    A and resid 55   and name  HD1 ))      4.161     2.441     0.832 peak   953 weight  1.00000E+00 volume  1.14057E+07 ppm1      1.611 ppm2     -0.401
 ASSI {  961}   (( segid    A and resid 27   and name  HB1 ))   (  segid    A and resid 30   and name  HB# )      5.352     3.632     1.070 peak   961 weight  1.00000E+00 volume  2.54888E+06 ppm1      3.190 ppm2      1.845
 ASSI {  962}   (( segid    A and resid 27   and name  HB1 ))   (( segid    A and resid 27   and name  HN  ))      3.412     1.692     0.682 peak   962 weight  1.00000E+00 volume  7.58564E+06 ppm1      3.183 ppm2      8.152
 ASSI {  963}   (( segid    A and resid 27   and name  HB1 ))   (( segid    A and resid 28   and name  HN  ))      4.031     2.311     0.806 peak   963 weight  1.00000E+00 volume  5.35073E+06 ppm1      3.186 ppm2      7.901
 ASSI {  964}   (( segid    A and resid 27   and name  HB1 ))   (  segid    A and resid 27   and name  HD# )      4.574     2.854     0.915 peak   964 weight  1.00000E+00 volume  1.29335E+07 ppm1      3.181 ppm2      7.162
 ASSI {  966}   (( segid    A and resid 27   and name  HB1 ))   (( segid    A and resid 27   and name  HB2 ))      2.918     1.198     0.584 peak   966 weight  1.00000E+00 volume  8.94636E+07 ppm1      3.183 ppm2      2.897
 ASSI {  968}   (( segid    A and resid 7    and name  HB1 ))   (( segid    A and resid 7    and name  HB2 ))      2.813     1.093     0.563 peak   968 weight  1.00000E+00 volume  1.19605E+08 ppm1      2.921 ppm2      2.732
 ASSI {  971}   (( segid    A and resid 7    and name  HB1 ))   (( segid    A and resid 8    and name  HG2 ))      5.045     3.325     1.009 peak   971 weight  1.00000E+00 volume  3.59288E+06 ppm1      2.915 ppm2      1.749
 ASSI {  972}   (( segid    A and resid 7    and name  HB1 ))   (  segid    A and resid 11   and name  HD1#)      5.097     3.377     1.019 peak   972 weight  1.00000E+00 volume  1.01319E+07 ppm1      2.920 ppm2      0.589
 ASSI {  973}   (( segid    A and resid 27   and name  HB2 ))   (( segid    A and resid 29   and name  HN  ))      5.772     4.052     1.154 peak   973 weight  1.00000E+00 volume  1.60218E+06 ppm1      2.909 ppm2      8.689
 ASSI {  974}   (( segid    A and resid 27   and name  HB2 ))   (( segid    A and resid 27   and name  HN  ))      3.454     1.734     0.691 peak   974 weight  1.00000E+00 volume  8.26578E+06 ppm1      2.911 ppm2      8.129
 ASSI {  976}   (( segid    A and resid 27   and name  HB2 ))   (( segid    A and resid 28   and name  HN  ))      3.593     1.873     0.719 peak   976 weight  1.00000E+00 volume  9.22835E+06 ppm1      2.907 ppm2      7.904
 ASSI {  979}   (( segid    A and resid 7    and name  HB2 ))   (( segid    A and resid 7    and name  HN  ))      3.395     1.675     0.679 peak   979 weight  1.00000E+00 volume  1.35857E+07 ppm1      2.744 ppm2      8.045
 ASSI {  980}   (( segid    A and resid 7    and name  HB2 ))   (  segid    A and resid 7    and name  HD# )      4.860     3.140     0.972 peak   980 weight  1.00000E+00 volume  8.98541E+06 ppm1      2.742 ppm2      7.123
 ASSI {  982}   (( segid    A and resid 7    and name  HB2 ))   (( segid    A and resid 6    and name  HA  ))      5.501     3.781     1.100 peak   982 weight  1.00000E+00 volume  2.13707E+06 ppm1      2.744 ppm2      4.182
 ASSI {  987}   (( segid    A and resid 7    and name  HB2 ))   (  segid    A and resid 11   and name  HD1#)      5.477     3.757     1.095 peak   987 weight  1.00000E+00 volume  6.51848E+06 ppm1      2.741 ppm2      0.587
 ASSI {  988}   (( segid    A and resid 26   and name  HB2 ))   (( segid    A and resid 26   and name  HA  ))      3.325     1.605     0.665 peak   988 weight  1.00000E+00 volume  2.25213E+07 ppm1      2.781 ppm2      4.328
 ASSI {  989}   (( segid    A and resid 26   and name  HB2 ))   (  segid    A and resid 29   and name  HB# )      5.956     4.236     1.044 peak   989 weight  1.00000E+00 volume  3.29641E+06 ppm1      2.776 ppm2      1.345
 ASSI {  990}   (( segid    A and resid 26   and name  HB1 ))   (( segid    A and resid 27   and name  HN  ))      3.731     2.011     0.746 peak   990 weight  1.00000E+00 volume  3.85669E+06 ppm1      2.740 ppm2      8.137
 ASSI {  993}   (( segid    A and resid 34   and name  HG1 ))   (( segid    A and resid 34   and name  HN  ))      4.143     2.423     0.829 peak   993 weight  1.00000E+00 volume  5.49783E+06 ppm1      2.780 ppm2      9.519
 ASSI {  996}   (( segid    A and resid 34   and name  HG1 ))   (( segid    A and resid 34   and name  HG2 ))      3.195     1.475     0.639 peak   996 weight  1.00000E+00 volume  5.36838E+07 ppm1      2.778 ppm2      2.487
 ASSI {  997}   (( segid    A and resid 34   and name  HG1 ))   (( segid    A and resid 34   and name  HB1 ))      3.830     2.110     0.766 peak   997 weight  1.00000E+00 volume  1.84957E+07 ppm1      2.780 ppm2      2.004
 ASSI {  998}   (( segid    A and resid 34   and name  HG1 ))   (( segid    A and resid 34   and name  HB2 ))      3.902     2.182     0.780 peak   998 weight  1.00000E+00 volume  1.45039E+07 ppm1      2.780 ppm2      1.754
 ASSI {  999}   (( segid    A and resid 34   and name  HG1 ))   (  segid    A and resid 41   and name  HG1#)      5.003     3.283     1.001 peak   999 weight  1.00000E+00 volume  4.42125E+06 ppm1      2.780 ppm2      0.607
 ASSI { 1000}   (( segid    A and resid 26   and name  HB2 ))   (( segid    A and resid 27   and name  HN  ))      5.328     3.608     1.066 peak  1000 weight  1.00000E+00 volume  2.58756E+06 ppm1      2.783 ppm2      8.138
 ASSI { 1001}   (( segid    A and resid 34   and name  HG1 ))   (( segid    A and resid 56   and name  HN  ))      4.519     2.799     0.904 peak  1001 weight  1.00000E+00 volume  2.63238E+06 ppm1      2.766 ppm2      9.224
 ASSI { 1003}   (( segid    A and resid 13   and name  HG1 ))   (( segid    A and resid 13   and name  HN  ))      3.664     1.944     0.733 peak  1003 weight  1.00000E+00 volume  1.21594E+07 ppm1      2.507 ppm2      8.192
 ASSI { 1004}   (( segid    A and resid 13   and name  HG1 ))   (  segid    A and resid 48   and name  HB# )      5.205     3.485     1.041 peak  1004 weight  1.00000E+00 volume  4.94236E+06 ppm1      2.509 ppm2      3.934
 ASSI { 1005}   (( segid    A and resid 13   and name  HG1 ))   (( segid    A and resid 9    and name  HB1 ))      5.004     3.284     1.001 peak  1005 weight  1.00000E+00 volume  3.06226E+06 ppm1      2.510 ppm2      3.651
 ASSI { 1006}   (( segid    A and resid 13   and name  HG1 ))   (  segid    A and resid 12   and name  HG2#)      4.556     2.836     0.911 peak  1006 weight  1.00000E+00 volume  1.29738E+07 ppm1      2.507 ppm2      0.925
 ASSI { 1007}   (( segid    A and resid 13   and name  HG1 ))   (( segid    A and resid 12   and name  HN  ))      4.704     2.984     0.941 peak  1007 weight  1.00000E+00 volume  3.72555E+06 ppm1      2.503 ppm2      7.312
 ASSI { 1008}   (( segid    A and resid 13   and name  HG1 ))   (( segid    A and resid 13   and name  HA  ))      3.878     2.158     0.776 peak  1008 weight  1.00000E+00 volume  1.25700E+07 ppm1      2.504 ppm2      4.733
 ASSI { 1009}   (( segid    A and resid 13   and name  HG1 ))   (( segid    A and resid 13   and name  HB1 ))      3.644     1.924     0.729 peak  1009 weight  1.00000E+00 volume  2.53043E+07 ppm1      2.503 ppm2      2.102
 ASSI { 1010}   (( segid    A and resid 34   and name  HG2 ))   (( segid    A and resid 34   and name  HN  ))      4.229     2.509     0.846 peak  1010 weight  1.00000E+00 volume  4.58576E+06 ppm1      2.497 ppm2      9.522
 ASSI { 1011}   (( segid    A and resid 34   and name  HG2 ))   (( segid    A and resid 56   and name  HN  ))      4.623     2.903     0.925 peak  1011 weight  1.00000E+00 volume  2.90305E+06 ppm1      2.496 ppm2      9.235
 ASSI { 1014}   (( segid    A and resid 34   and name  HG2 ))   (( segid    A and resid 34   and name  HB2 ))      4.038     2.318     0.808 peak  1014 weight  1.00000E+00 volume  1.36539E+07 ppm1      2.498 ppm2      1.755
 ASSI { 1015}   (( segid    A and resid 34   and name  HG2 ))   (  segid    A and resid 41   and name  HG1#)      5.840     4.120     1.160 peak  1015 weight  1.00000E+00 volume  4.22443E+06 ppm1      2.496 ppm2      0.600
 ASSI { 1018}   (( segid    A and resid 13   and name  HG2 ))   (( segid    A and resid 12   and name  HA  ))      5.216     3.496     1.043 peak  1018 weight  1.00000E+00 volume  2.94027E+06 ppm1      2.397 ppm2      4.554
 ASSI { 1019}   (( segid    A and resid 13   and name  HG2 ))   (( segid    A and resid 13   and name  HB1 ))      3.400     1.680     0.680 peak  1019 weight  1.00000E+00 volume  3.09307E+07 ppm1      2.391 ppm2      2.101
 ASSI { 1020}   (( segid    A and resid 13   and name  HG2 ))   (( segid    A and resid 12   and name  HN  ))      5.705     3.985     1.141 peak  1020 weight  1.00000E+00 volume  1.71815E+06 ppm1      2.388 ppm2      7.316
 ASSI { 1021}   (( segid    A and resid 13   and name  HG2 ))   (  segid    A and resid 48   and name  HB# )      4.684     2.964     0.937 peak  1021 weight  1.00000E+00 volume  6.30950E+06 ppm1      2.383 ppm2      3.923
 ASSI { 1022}   (( segid    A and resid 13   and name  HG2 ))   (( segid    A and resid 9    and name  HB1 ))      4.999     3.279     1.000 peak  1022 weight  1.00000E+00 volume  1.71083E+06 ppm1      2.385 ppm2      3.647
 ASSI { 1023}   (( segid    A and resid 13   and name  HG2 ))   (  segid    A and resid 12   and name  HG2#)      4.414     2.694     0.883 peak  1023 weight  1.00000E+00 volume  1.00246E+07 ppm1      2.388 ppm2      0.924
 ASSI { 1024}   (( segid    A and resid 41   and name  HB  ))   (( segid    A and resid 42   and name  HN  ))      3.293     1.573     0.659 peak  1024 weight  1.00000E+00 volume  1.63650E+07 ppm1      2.036 ppm2      9.101
 ASSI { 1025}   (( segid    A and resid 41   and name  HB  ))   (( segid    A and resid 55   and name  HN  ))      3.799     2.079     0.760 peak  1025 weight  1.00000E+00 volume  7.17326E+06 ppm1      2.037 ppm2      8.817
 ASSI { 1026}   (( segid    A and resid 41   and name  HB  ))   (( segid    A and resid 41   and name  HN  ))      4.395     2.675     0.879 peak  1026 weight  1.00000E+00 volume  2.80888E+06 ppm1      2.036 ppm2      8.507
 ASSI { 1027}   (( segid    A and resid 41   and name  HB  ))   (( segid    A and resid 57   and name  HN  ))      4.742     3.022     0.948 peak  1027 weight  1.00000E+00 volume  8.80370E+05 ppm1      2.038 ppm2      7.728
 ASSI { 1031}   (( segid    A and resid 41   and name  HB  ))   (  segid    A and resid 41   and name  HG1#)      3.950     2.230     0.790 peak  1031 weight  1.00000E+00 volume  3.20144E+07 ppm1      2.036 ppm2      0.601
 ASSI { 1034}   (( segid    A and resid 41   and name  HB  ))   (( segid    A and resid 56   and name  HA  ))      5.180     3.460     1.036 peak  1034 weight  1.00000E+00 volume  3.06447E+06 ppm1      2.035 ppm2      4.568
 ASSI { 1035}   (( segid    A and resid 14   and name  HG1 ))   (( segid    A and resid 14   and name  HA  ))      3.988     2.268     0.798 peak  1035 weight  1.00000E+00 volume  1.14965E+07 ppm1      2.397 ppm2      4.377
 ASSI { 1036}   (( segid    A and resid 14   and name  HG1 ))   (( segid    A and resid 14   and name  HB1 ))      3.642     1.922     0.728 peak  1036 weight  1.00000E+00 volume  2.53566E+07 ppm1      2.397 ppm2      1.924
 ASSI { 1037}   (( segid    A and resid 14   and name  HG2 ))   (( segid    A and resid 14   and name  HB1 ))      3.846     2.126     0.769 peak  1037 weight  1.00000E+00 volume  1.82889E+07 ppm1      2.296 ppm2      1.925
 ASSI { 1038}   (( segid    A and resid 14   and name  HG2 ))   (( segid    A and resid 14   and name  HN  ))      3.927     2.207     0.785 peak  1038 weight  1.00000E+00 volume  1.05351E+07 ppm1      2.292 ppm2      8.192
 ASSI { 1040}   (( segid    A and resid 14   and name  HG2 ))   (( segid    A and resid 13   and name  HA  ))      5.865     4.145     1.135 peak  1040 weight  1.00000E+00 volume  1.45522E+06 ppm1      2.283 ppm2      4.744
 ASSI { 1041}   (( segid    A and resid 14   and name  HG2 ))   (( segid    A and resid 47   and name  HB2 ))      7.000     5.280     0.000 peak  1041 weight  1.00000E+00 volume  4.90360E+04 ppm1      2.277 ppm2      3.781
 ASSI { 1042}   (( segid    A and resid 55   and name  HB1 ))   (( segid    A and resid 55   and name  HE2 ))      5.193     3.473     1.039 peak  1042 weight  1.00000E+00 volume  3.02106E+06 ppm1      1.248 ppm2      1.595
 ASSI { 1043}   (( segid    A and resid 55   and name  HB1 ))   (( segid    A and resid 56   and name  HN  ))      4.701     2.981     0.940 peak  1043 weight  1.00000E+00 volume  2.35077E+06 ppm1      1.244 ppm2      9.236
 ASSI { 1044}   (( segid    A and resid 55   and name  HB1 ))   (( segid    A and resid 55   and name  HN  ))      3.784     2.064     0.757 peak  1044 weight  1.00000E+00 volume  6.25162E+06 ppm1      1.243 ppm2      8.812
 ASSI { 1045}   (( segid    A and resid 55   and name  HB1 ))   (( segid    A and resid 54   and name  HA  ))      5.216     3.496     1.043 peak  1045 weight  1.00000E+00 volume  1.51712E+06 ppm1      1.244 ppm2      5.393
 ASSI { 1047}   (( segid    A and resid 55   and name  HB1 ))   (( segid    A and resid 42   and name  HB2 ))      4.291     2.571     0.858 peak  1047 weight  1.00000E+00 volume  9.48802E+06 ppm1      1.244 ppm2      2.175
 ASSI { 1048}   (( segid    A and resid 55   and name  HB1 ))   (( segid    A and resid 55   and name  HB2 ))      3.241     1.521     0.648 peak  1048 weight  1.00000E+00 volume  5.10832E+07 ppm1      1.243 ppm2      0.991
 ASSI { 1049}   (( segid    A and resid 55   and name  HB1 ))   (( segid    A and resid 55   and name  HD2 ))      4.266     2.546     0.853 peak  1049 weight  1.00000E+00 volume  9.82124E+06 ppm1      1.244 ppm2      0.780
 ASSI { 1050}   (( segid    A and resid 55   and name  HB1 ))   (( segid    A and resid 55   and name  HG2 ))      3.985     2.265     0.797 peak  1050 weight  1.00000E+00 volume  1.47846E+07 ppm1      1.243 ppm2      0.588
 ASSI { 1051}   (( segid    A and resid 55   and name  HB1 ))   (( segid    A and resid 55   and name  HD1 ))      4.535     2.815     0.907 peak  1051 weight  1.00000E+00 volume  6.80977E+06 ppm1      1.243 ppm2     -0.399
 ASSI { 1052}   (( segid    A and resid 55   and name  HB2 ))   (( segid    A and resid 55   and name  HN  ))      3.888     2.168     0.778 peak  1052 weight  1.00000E+00 volume  3.73256E+06 ppm1      0.996 ppm2      8.814
 ASSI { 1053}   (( segid    A and resid 55   and name  HB2 ))   (( segid    A and resid 10   and name  HZ2 ))      5.997     4.277     1.003 peak  1053 weight  1.00000E+00 volume  1.27310E+06 ppm1      0.996 ppm2      7.559
 ASSI { 1054}   (( segid    A and resid 55   and name  HB2 ))   (( segid    A and resid 54   and name  HA  ))      5.179     3.459     1.036 peak  1054 weight  1.00000E+00 volume  1.09997E+06 ppm1      0.997 ppm2      5.368
 ASSI { 1056}   (( segid    A and resid 55   and name  HB2 ))   (( segid    A and resid 55   and name  HE2 ))      4.200     2.480     0.840 peak  1056 weight  1.00000E+00 volume  3.54439E+06 ppm1      0.996 ppm2      1.598
 ASSI { 1058}   (( segid    A and resid 55   and name  HB2 ))   (( segid    A and resid 56   and name  HN  ))      3.933     2.213     0.787 peak  1058 weight  1.00000E+00 volume  3.09450E+06 ppm1      0.991 ppm2      9.242
 ASSI { 1059}   (( segid    A and resid 55   and name  HB2 ))   (( segid    A and resid 42   and name  HB2 ))      4.834     3.114     0.967 peak  1059 weight  1.00000E+00 volume  4.64327E+06 ppm1      0.991 ppm2      2.171
 ASSI { 1060}   (( segid    A and resid 55   and name  HB2 ))   (( segid    A and resid 55   and name  HE1 ))      4.982     3.262     0.996 peak  1060 weight  1.00000E+00 volume  3.87345E+06 ppm1      0.992 ppm2      1.999
 ASSI { 1061}   (( segid    A and resid 55   and name  HB2 ))   (( segid    A and resid 55   and name  HG2 ))      3.847     2.127     0.769 peak  1061 weight  1.00000E+00 volume  1.82818E+07 ppm1      0.994 ppm2      0.580
 ASSI { 1062}   (( segid    A and resid 55   and name  HB2 ))   (( segid    A and resid 55   and name  HD1 ))      3.980     2.260     0.796 peak  1062 weight  1.00000E+00 volume  7.23340E+06 ppm1      0.994 ppm2     -0.400
 ASSI { 1063}   (( segid    A and resid 19   and name  HG2 ))   (( segid    A and resid 43   and name  HN  ))      4.786     3.066     0.957 peak  1063 weight  1.00000E+00 volume  4.92488E+06 ppm1      2.414 ppm2      8.548
 ASSI { 1065}   (( segid    A and resid 19   and name  HG2 ))   (( segid    A and resid 19   and name  HG1 ))      2.909     1.189     0.582 peak  1065 weight  1.00000E+00 volume  9.76554E+07 ppm1      2.414 ppm2      2.107
 ASSI { 1069}   (  segid    A and resid 53   and name  HG# )   (( segid    A and resid 54   and name  HN  ))      4.826     3.106     0.965 peak  1069 weight  1.00000E+00 volume  9.37850E+06 ppm1      2.348 ppm2      8.870
 ASSI { 1071}   (  segid    A and resid 53   and name  HG# )   (( segid    A and resid 51   and name  HB1 ))      4.443     2.723     0.889 peak  1071 weight  1.00000E+00 volume  1.54021E+07 ppm1      2.347 ppm2      1.817
 ASSI { 1072}   (  segid    A and resid 53   and name  HG# )   (( segid    A and resid 53   and name  HB1 ))      3.362     1.642     0.672 peak  1072 weight  1.00000E+00 volume  4.79225E+07 ppm1      2.344 ppm2      1.613
 ASSI { 1073}   (  segid    A and resid 53   and name  HG# )   (  segid    A and resid 44   and name  HD1#)      5.355     3.635     1.071 peak  1073 weight  1.00000E+00 volume  9.84364E+06 ppm1      2.343 ppm2      0.607
 ASSI { 1075}   (( segid    A and resid 63   and name  HG2 ))   (( segid    A and resid 63   and name  HB1 ))      3.183     1.463     0.637 peak  1075 weight  1.00000E+00 volume  5.69840E+07 ppm1      2.273 ppm2      2.029
 ASSI { 1076}   (( segid    A and resid 63   and name  HG1 ))   (( segid    A and resid 63   and name  HN  ))      4.543     2.823     0.909 peak  1076 weight  1.00000E+00 volume  1.51725E+06 ppm1      2.215 ppm2      8.156
 ASSI { 1077}   (( segid    A and resid 63   and name  HG1 ))   (( segid    A and resid 63   and name  HB1 ))      3.199     1.479     0.640 peak  1077 weight  1.00000E+00 volume  3.77763E+07 ppm1      2.214 ppm2      2.025
 ASSI { 1078}   (( segid    A and resid 63   and name  HG1 ))   (( segid    A and resid 63   and name  HA  ))      5.227     3.507     1.045 peak  1078 weight  1.00000E+00 volume  2.90301E+06 ppm1      2.201 ppm2      4.253
 ASSI { 1079}   (( segid    A and resid 6    and name  HG1 ))   (( segid    A and resid 6    and name  HA  ))      4.662     2.942     0.932 peak  1079 weight  1.00000E+00 volume  5.77083E+06 ppm1      2.166 ppm2      4.191
 ASSI { 1080}   (( segid    A and resid 6    and name  HG1 ))   (( segid    A and resid 6    and name  HN  ))      4.281     2.561     0.856 peak  1080 weight  1.00000E+00 volume  2.50989E+06 ppm1      2.163 ppm2      8.201
 ASSI { 1081}   (( segid    A and resid 6    and name  HG1 ))   (( segid    A and resid 6    and name  HG2 ))      2.250     0.530     0.450 peak  1081 weight  1.00000E+00 volume  4.56190E+08 ppm1      2.161 ppm2      2.107
 ASSI { 1082}   (( segid    A and resid 6    and name  HG1 ))   (( segid    A and resid 6    and name  HB1 ))      3.636     1.916     0.727 peak  1082 weight  1.00000E+00 volume  2.56418E+07 ppm1      2.159 ppm2      1.885
 ASSI { 1083}   (( segid    A and resid 19   and name  HG1 ))   (( segid    A and resid 43   and name  HN  ))      4.894     3.174     0.979 peak  1083 weight  1.00000E+00 volume  4.30877E+06 ppm1      2.123 ppm2      8.551
 ASSI { 1084}   (( segid    A and resid 19   and name  HG1 ))   (( segid    A and resid 19   and name  HA  ))      3.285     1.565     0.657 peak  1084 weight  1.00000E+00 volume  8.30848E+06 ppm1      2.122 ppm2      4.550
 ASSI { 1085}   (( segid    A and resid 19   and name  HG1 ))   (( segid    A and resid 19   and name  HN  ))      5.182     3.462     1.036 peak  1085 weight  1.00000E+00 volume  3.05718E+06 ppm1      2.116 ppm2      7.867
 ASSI { 1087}   (( segid    A and resid 19   and name  HG1 ))   (( segid    A and resid 43   and name  HB2 ))      3.843     2.123     0.769 peak  1087 weight  1.00000E+00 volume  1.22867E+07 ppm1      2.117 ppm2      1.616
 ASSI { 1088}   (( segid    A and resid 19   and name  HG1 ))   (  segid    A and resid 43   and name  HD# )      4.626     2.906     0.925 peak  1088 weight  1.00000E+00 volume  8.44823E+06 ppm1      2.117 ppm2      1.358
 ASSI { 1089}   (( segid    A and resid 19   and name  HG1 ))   (  segid    A and resid 18   and name  HB# )      4.783     3.063     0.957 peak  1089 weight  1.00000E+00 volume  5.66039E+06 ppm1      2.117 ppm2      1.206
 ASSI { 1090}   (( segid    A and resid 19   and name  HG1 ))   (( segid    A and resid 19   and name  HB2 ))      3.309     1.589     0.662 peak  1090 weight  1.00000E+00 volume  4.51497E+07 ppm1      2.108 ppm2      1.889
 ASSI { 1093}   (( segid    A and resid 20   and name  HG1 ))   (  segid    A and resid 17   and name  HG1#)      4.874     3.154     0.975 peak  1093 weight  1.00000E+00 volume  7.21673E+06 ppm1      2.338 ppm2      0.800
 ASSI { 1094}   (( segid    A and resid 20   and name  HG1 ))   (( segid    A and resid 20   and name  HN  ))      4.178     2.458     0.836 peak  1094 weight  1.00000E+00 volume  1.11366E+07 ppm1      2.347 ppm2      8.569
 ASSI { 1096}   (( segid    A and resid 20   and name  HG1 ))   (( segid    A and resid 20   and name  HA  ))      4.173     2.453     0.835 peak  1096 weight  1.00000E+00 volume  6.84509E+06 ppm1      2.339 ppm2      4.115
 ASSI { 1097}   (( segid    A and resid 20   and name  HG2 ))   (( segid    A and resid 19   and name  HA  ))      4.949     3.229     0.990 peak  1097 weight  1.00000E+00 volume  4.03076E+06 ppm1      2.316 ppm2      4.559
 ASSI { 1098}   (( segid    A and resid 20   and name  HG2 ))   (( segid    A and resid 21   and name  HN  ))      4.251     2.531     0.850 peak  1098 weight  1.00000E+00 volume  3.65148E+06 ppm1      2.305 ppm2      9.082
 ASSI { 1100}   (( segid    A and resid 20   and name  HG2 ))   (( segid    A and resid 20   and name  HN  ))      3.473     1.753     0.695 peak  1100 weight  1.00000E+00 volume  1.14089E+07 ppm1      2.296 ppm2      8.565
 ASSI { 1101}   (( segid    A and resid 20   and name  HG2 ))   (( segid    A and resid 20   and name  HB2 ))      3.212     1.492     0.642 peak  1101 weight  1.00000E+00 volume  5.38802E+07 ppm1      2.298 ppm2      2.087
 ASSI { 1103}   (( segid    A and resid 43   and name  HB1 ))   (( segid    A and resid 44   and name  HN  ))      5.106     3.386     1.021 peak  1103 weight  1.00000E+00 volume  3.34005E+06 ppm1      1.646 ppm2      9.275
 ASSI { 1104}   (( segid    A and resid 43   and name  HB1 ))   (( segid    A and resid 43   and name  HN  ))      3.466     1.746     0.693 peak  1104 weight  1.00000E+00 volume  1.06361E+07 ppm1      1.644 ppm2      8.536
 ASSI { 1105}   (( segid    A and resid 43   and name  HB1 ))   (( segid    A and resid 19   and name  HN  ))      3.405     1.685     0.681 peak  1105 weight  1.00000E+00 volume  8.90350E+06 ppm1      1.646 ppm2      7.864
 ASSI { 1106}   (( segid    A and resid 43   and name  HB1 ))   (( segid    A and resid 43   and name  HA  ))      3.773     2.053     0.755 peak  1106 weight  1.00000E+00 volume  9.76910E+06 ppm1      1.647 ppm2      4.820
 ASSI { 1108}   (( segid    A and resid 43   and name  HB1 ))   (( segid    A and resid 43   and name  HG2 ))      3.815     2.095     0.763 peak  1108 weight  1.00000E+00 volume  1.27240E+07 ppm1      1.646 ppm2      0.893
 ASSI { 1109}   (( segid    A and resid 43   and name  HB1 ))   (( segid    A and resid 43   and name  HG1 ))      3.864     2.144     0.773 peak  1109 weight  1.00000E+00 volume  1.67021E+07 ppm1      1.644 ppm2      0.585
 ASSI { 1110}   (( segid    A and resid 43   and name  HB1 ))   (( segid    A and resid 18   and name  HN  ))      4.817     3.097     0.963 peak  1110 weight  1.00000E+00 volume  2.35082E+06 ppm1      1.635 ppm2      9.106
 ASSI { 1111}   (( segid    A and resid 43   and name  HB1 ))   (( segid    A and resid 54   and name  HA  ))      4.993     3.273     0.999 peak  1111 weight  1.00000E+00 volume  1.95582E+06 ppm1      1.648 ppm2      5.383
 ASSI { 1112}   (( segid    A and resid 43   and name  HB2 ))   (( segid    A and resid 19   and name  HA  ))      4.731     3.011     0.946 peak  1112 weight  1.00000E+00 volume  2.82055E+06 ppm1      1.593 ppm2      4.567
 ASSI { 1113}   (( segid    A and resid 43   and name  HB2 ))   (( segid    A and resid 18   and name  HN  ))      5.511     3.791     1.102 peak  1113 weight  1.00000E+00 volume  2.11506E+06 ppm1      1.593 ppm2      9.111
 ASSI { 1114}   (( segid    A and resid 43   and name  HB2 ))   (( segid    A and resid 44   and name  HN  ))      4.934     3.214     0.987 peak  1114 weight  1.00000E+00 volume  4.10675E+06 ppm1      1.596 ppm2      9.272
 ASSI { 1115}   (( segid    A and resid 43   and name  HB2 ))   (( segid    A and resid 43   and name  HN  ))      3.335     1.615     0.667 peak  1115 weight  1.00000E+00 volume  1.03984E+07 ppm1      1.593 ppm2      8.536
 ASSI { 1116}   (( segid    A and resid 43   and name  HB2 ))   (( segid    A and resid 19   and name  HN  ))      3.526     1.806     0.705 peak  1116 weight  1.00000E+00 volume  7.72978E+06 ppm1      1.596 ppm2      7.864
 ASSI { 1118}   (( segid    A and resid 43   and name  HB2 ))   (( segid    A and resid 19   and name  HB2 ))      3.410     1.690     0.682 peak  1118 weight  1.00000E+00 volume  1.76187E+07 ppm1      1.597 ppm2      1.893
 ASSI { 1119}   (( segid    A and resid 43   and name  HB2 ))   (( segid    A and resid 43   and name  HG2 ))      3.680     1.960     0.736 peak  1119 weight  1.00000E+00 volume  1.30470E+07 ppm1      1.593 ppm2      0.895
 ASSI { 1123}   (( segid    A and resid 53   and name  HB2 ))   (( segid    A and resid 10   and name  HD1 ))      5.623     3.903     1.125 peak  1123 weight  1.00000E+00 volume  1.87429E+06 ppm1      2.399 ppm2      6.802
 ASSI { 1124}   (( segid    A and resid 53   and name  HB2 ))   (( segid    A and resid 44   and name  HG12))      4.793     3.073     0.959 peak  1124 weight  1.00000E+00 volume  3.28879E+06 ppm1      2.399 ppm2      1.100
 ASSI { 1125}   (( segid    A and resid 53   and name  HB2 ))   (  segid    A and resid 44   and name  HD1#)      4.852     3.132     0.970 peak  1125 weight  1.00000E+00 volume  6.36295E+06 ppm1      2.392 ppm2      0.610
 ASSI { 1126}   (( segid    A and resid 53   and name  HB2 ))   (( segid    A and resid 54   and name  HN  ))      3.277     1.557     0.655 peak  1126 weight  1.00000E+00 volume  1.22819E+07 ppm1      2.387 ppm2      8.874
 ASSI { 1127}   (( segid    A and resid 53   and name  HB2 ))   (( segid    A and resid 53   and name  HN  ))      5.151     3.431     1.030 peak  1127 weight  1.00000E+00 volume  3.17085E+06 ppm1      2.388 ppm2      8.675
 ASSI { 1128}   (( segid    A and resid 53   and name  HB2 ))   (( segid    A and resid 53   and name  HA  ))      3.250     1.530     0.650 peak  1128 weight  1.00000E+00 volume  1.70927E+07 ppm1      2.389 ppm2      4.670
 ASSI { 1129}   (( segid    A and resid 53   and name  HB2 ))   (( segid    A and resid 53   and name  HB1 ))      2.995     1.275     0.599 peak  1129 weight  1.00000E+00 volume  4.93732E+07 ppm1      2.390 ppm2      1.608
 ASSI { 1130}   (( segid    A and resid 42   and name  HG2 ))   (( segid    A and resid 21   and name  HA  ))      3.725     2.005     0.745 peak  1130 weight  1.00000E+00 volume  3.95640E+06 ppm1      2.216 ppm2      4.373
 ASSI { 1131}   (( segid    A and resid 42   and name  HG1 ))   (( segid    A and resid 43   and name  HN  ))      5.102     3.382     1.020 peak  1131 weight  1.00000E+00 volume  3.35862E+06 ppm1      2.145 ppm2      8.532
 ASSI { 1132}   (( segid    A and resid 16   and name  HB  ))   (( segid    A and resid 17   and name  HN  ))      3.778     2.058     0.756 peak  1132 weight  1.00000E+00 volume  2.03635E+07 ppm1      2.025 ppm2      8.764
 ASSI { 1133}   (( segid    A and resid 16   and name  HB  ))   (( segid    A and resid 16   and name  HN  ))      3.890     2.170     0.778 peak  1133 weight  1.00000E+00 volume  6.29398E+06 ppm1      2.028 ppm2      8.448
 ASSI { 1136}   (( segid    A and resid 16   and name  HB  ))   (  segid    A and resid 16   and name  HG2#)      3.701     1.981     0.740 peak  1136 weight  1.00000E+00 volume  6.91612E+07 ppm1      2.024 ppm2      0.830
 ASSI { 1141}   (( segid    A and resid 53   and name  HB1 ))   (( segid    A and resid 54   and name  HN  ))      3.996     2.276     0.799 peak  1141 weight  1.00000E+00 volume  7.37502E+06 ppm1      1.617 ppm2      8.873
 ASSI { 1142}   (( segid    A and resid 53   and name  HB1 ))   (( segid    A and resid 53   and name  HN  ))      3.702     1.982     0.740 peak  1142 weight  1.00000E+00 volume  7.20174E+06 ppm1      1.617 ppm2      8.671
 ASSI { 1145}   (( segid    A and resid 53   and name  HB1 ))   (  segid    A and resid 44   and name  HD1#)      4.423     2.703     0.885 peak  1145 weight  1.00000E+00 volume  2.37167E+07 ppm1      1.614 ppm2      0.597
 ASSI { 1147}   (( segid    A and resid 12   and name  HB  ))   (( segid    A and resid 13   and name  HN  ))      3.959     2.239     0.792 peak  1147 weight  1.00000E+00 volume  3.76992E+06 ppm1      2.324 ppm2      8.206
 ASSI { 1148}   (( segid    A and resid 12   and name  HB  ))   (( segid    A and resid 12   and name  HN  ))      4.023     2.303     0.805 peak  1148 weight  1.00000E+00 volume  6.84451E+06 ppm1      2.323 ppm2      7.313
 ASSI { 1150}   (( segid    A and resid 12   and name  HB  ))   (  segid    A and resid 12   and name  HG1#)      3.845     2.125     0.769 peak  1150 weight  1.00000E+00 volume  3.89936E+07 ppm1      2.322 ppm2      0.827
 ASSI { 1153}   (( segid    A and resid 42   and name  HG2 ))   (( segid    A and resid 21   and name  HB2 ))      4.671     2.951     0.934 peak  1153 weight  1.00000E+00 volume  2.36196E+06 ppm1      2.229 ppm2      2.926
 ASSI { 1154}   (( segid    A and resid 42   and name  HG2 ))   (( segid    A and resid 42   and name  HA  ))      3.751     2.031     0.750 peak  1154 weight  1.00000E+00 volume  5.86195E+06 ppm1      2.222 ppm2      4.777
 ASSI { 1155}   (( segid    A and resid 42   and name  HG2 ))   (( segid    A and resid 21   and name  HB1 ))      4.439     2.719     0.888 peak  1155 weight  1.00000E+00 volume  5.90154E+06 ppm1      2.227 ppm2      3.155
 ASSI { 1156}   (( segid    A and resid 42   and name  HG2 ))   (( segid    A and resid 42   and name  HN  ))      4.236     2.516     0.847 peak  1156 weight  1.00000E+00 volume  1.02512E+07 ppm1      2.220 ppm2      9.089
 ASSI { 1157}   (( segid    A and resid 42   and name  HG2 ))   (( segid    A and resid 42   and name  HG1 ))      2.798     1.078     0.560 peak  1157 weight  1.00000E+00 volume  1.23457E+08 ppm1      2.220 ppm2      2.145
 ASSI { 1158}   (( segid    A and resid 42   and name  HG2 ))   (( segid    A and resid 42   and name  HB1 ))      3.774     2.054     0.755 peak  1158 weight  1.00000E+00 volume  2.05059E+07 ppm1      2.216 ppm2      1.877
 ASSI { 1159}   (( segid    A and resid 42   and name  HG2 ))   (( segid    A and resid 55   and name  HB2 ))      4.641     2.921     0.928 peak  1159 weight  1.00000E+00 volume  5.92692E+06 ppm1      2.222 ppm2      0.992
 ASSI { 1160}   (( segid    A and resid 42   and name  HG2 ))   (( segid    A and resid 20   and name  HA  ))      5.590     3.870     1.118 peak  1160 weight  1.00000E+00 volume  1.94169E+06 ppm1      2.210 ppm2      4.121
 ASSI { 1161}   (( segid    A and resid 42   and name  HG2 ))   (( segid    A and resid 43   and name  HN  ))      4.987     3.267     0.997 peak  1161 weight  1.00000E+00 volume  3.85098E+06 ppm1      2.219 ppm2      8.527
 ASSI { 1162}   (( segid    A and resid 42   and name  HG1 ))   (( segid    A and resid 21   and name  HA  ))      3.630     1.910     0.726 peak  1162 weight  1.00000E+00 volume  4.93478E+06 ppm1      2.146 ppm2      4.379
 ASSI { 1163}   (( segid    A and resid 42   and name  HG1 ))   (( segid    A and resid 42   and name  HN  ))      3.965     2.245     0.793 peak  1163 weight  1.00000E+00 volume  9.45573E+06 ppm1      2.143 ppm2      9.093
 ASSI { 1164}   (( segid    A and resid 42   and name  HG1 ))   (( segid    A and resid 41   and name  HA  ))      4.317     2.597     0.863 peak  1164 weight  1.00000E+00 volume  2.15269E+06 ppm1      2.143 ppm2      5.144
 ASSI { 1165}   (( segid    A and resid 42   and name  HG1 ))   (( segid    A and resid 42   and name  HA  ))      3.724     2.004     0.745 peak  1165 weight  1.00000E+00 volume  6.76105E+06 ppm1      2.140 ppm2      4.779
 ASSI { 1168}   (( segid    A and resid 42   and name  HG1 ))   (( segid    A and resid 42   and name  HB1 ))      3.755     2.035     0.751 peak  1168 weight  1.00000E+00 volume  2.11118E+07 ppm1      2.141 ppm2      1.881
 ASSI { 1169}   (( segid    A and resid 42   and name  HG1 ))   (( segid    A and resid 55   and name  HB1 ))      4.447     2.727     0.889 peak  1169 weight  1.00000E+00 volume  4.92882E+06 ppm1      2.141 ppm2      1.229
 ASSI { 1170}   (( segid    A and resid 42   and name  HG1 ))   (  segid    A and resid 44   and name  HG2#)      4.505     2.785     0.901 peak  1170 weight  1.00000E+00 volume  9.95179E+06 ppm1      2.143 ppm2      0.656
 ASSI { 1172}   (( segid    A and resid 13   and name  HB2 ))   (( segid    A and resid 48   and name  HN  ))      4.148     2.428     0.830 peak  1172 weight  1.00000E+00 volume  2.91387E+06 ppm1      2.630 ppm2      8.915
 ASSI { 1173}   (( segid    A and resid 13   and name  HB2 ))   (( segid    A and resid 13   and name  HN  ))      3.907     2.187     0.781 peak  1173 weight  1.00000E+00 volume  1.66503E+07 ppm1      2.629 ppm2      8.189
 ASSI { 1175}   (( segid    A and resid 13   and name  HB2 ))   (( segid    A and resid 46   and name  HA  ))      5.080     3.360     1.016 peak  1175 weight  1.00000E+00 volume  3.44642E+06 ppm1      2.629 ppm2      4.542
 ASSI { 1176}   (( segid    A and resid 13   and name  HB2 ))   (( segid    A and resid 46   and name  HB2 ))      4.075     2.355     1.100 peak  1176 weight  1.00000E+00 volume  4.75849E+06 ppm1      2.631 ppm2      4.356
 ASSI { 1177}   (( segid    A and resid 13   and name  HB2 ))   (  segid    A and resid 48   and name  HB# )      5.759     4.039     1.152 peak  1177 weight  1.00000E+00 volume  3.24813E+06 ppm1      2.631 ppm2      3.922
 ASSI { 1178}   (( segid    A and resid 13   and name  HB2 ))   (( segid    A and resid 13   and name  HB1 ))      3.250     1.530     0.650 peak  1178 weight  1.00000E+00 volume  4.32898E+07 ppm1      2.630 ppm2      2.103
 ASSI { 1179}   (( segid    A and resid 13   and name  HB2 ))   (  segid    A and resid 12   and name  HG2#)      5.615     3.895     1.123 peak  1179 weight  1.00000E+00 volume  3.00162E+06 ppm1      2.633 ppm2      0.927
 ASSI { 1180}   (( segid    A and resid 13   and name  HB2 ))   (( segid    A and resid 47   and name  HN  ))      4.370     2.650     0.874 peak  1180 weight  1.00000E+00 volume  2.71903E+06 ppm1      2.628 ppm2      9.035
 ASSI { 1181}   (( segid    A and resid 13   and name  HB1 ))   (( segid    A and resid 47   and name  HN  ))      4.691     2.971     0.938 peak  1181 weight  1.00000E+00 volume  2.13122E+06 ppm1      2.121 ppm2      9.039
 ASSI { 1182}   (( segid    A and resid 13   and name  HB1 ))   (( segid    A and resid 48   and name  HN  ))      4.957     3.237     0.991 peak  1182 weight  1.00000E+00 volume  2.19387E+06 ppm1      2.121 ppm2      8.908
 ASSI { 1183}   (( segid    A and resid 13   and name  HB1 ))   (( segid    A and resid 13   and name  HN  ))      3.436     1.716     0.687 peak  1183 weight  1.00000E+00 volume  1.70625E+07 ppm1      2.114 ppm2      8.193
 ASSI { 1187}   (( segid    A and resid 13   and name  HB1 ))   (( segid    A and resid 12   and name  HN  ))      4.882     3.162     0.976 peak  1187 weight  1.00000E+00 volume  3.03467E+06 ppm1      2.108 ppm2      7.322
 ASSI { 1188}   (( segid    A and resid 37   and name  HB1 ))   (( segid    A and resid 38   and name  HN  ))      4.717     2.997     0.943 peak  1188 weight  1.00000E+00 volume  3.90745E+06 ppm1      2.447 ppm2      8.914
 ASSI { 1191}   (( segid    A and resid 37   and name  HB1 ))   (( segid    A and resid 37   and name  HG2 ))      3.710     1.990     0.742 peak  1191 weight  1.00000E+00 volume  2.08993E+07 ppm1      2.449 ppm2      2.200
 ASSI { 1192}   (( segid    A and resid 37   and name  HB1 ))   (( segid    A and resid 37   and name  HB2 ))      3.081     1.361     0.616 peak  1192 weight  1.00000E+00 volume  6.92646E+07 ppm1      2.448 ppm2      1.988
 ASSI { 1193}   (( segid    A and resid 37   and name  HB1 ))   (  segid    A and resid 38   and name  HG2#)      5.027     3.307     1.005 peak  1193 weight  1.00000E+00 volume  1.03952E+07 ppm1      2.448 ppm2      1.037
 ASSI { 1194}   (( segid    A and resid 37   and name  HB1 ))   (( segid    A and resid 39   and name  HN  ))      6.338     4.618     0.662 peak  1194 weight  1.00000E+00 volume  9.13750E+05 ppm1      2.444 ppm2      7.956
 ASSI { 1195}   (( segid    A and resid 42   and name  HB2 ))   (( segid    A and resid 21   and name  HA  ))      3.725     2.005     0.745 peak  1195 weight  1.00000E+00 volume  3.74365E+06 ppm1      2.199 ppm2      4.380
 ASSI { 1196}   (( segid    A and resid 42   and name  HB2 ))   (( segid    A and resid 42   and name  HN  ))      3.457     1.737     0.691 peak  1196 weight  1.00000E+00 volume  7.86128E+06 ppm1      2.194 ppm2      9.092
 ASSI { 1198}   (( segid    A and resid 42   and name  HB2 ))   (( segid    A and resid 20   and name  HA  ))      3.966     2.246     0.793 peak  1198 weight  1.00000E+00 volume  2.97427E+06 ppm1      2.195 ppm2      4.108
 ASSI { 1199}   (( segid    A and resid 42   and name  HB2 ))   (( segid    A and resid 21   and name  HB1 ))      4.321     2.601     0.864 peak  1199 weight  1.00000E+00 volume  3.69870E+06 ppm1      2.197 ppm2      3.154
 ASSI { 1200}   (( segid    A and resid 42   and name  HB2 ))   (( segid    A and resid 42   and name  HB1 ))      3.009     1.289     0.602 peak  1200 weight  1.00000E+00 volume  3.74434E+07 ppm1      2.196 ppm2      1.883
 ASSI { 1201}   (( segid    A and resid 42   and name  HB2 ))   (  segid    A and resid 17   and name  HG1#)      4.419     2.699     0.884 peak  1201 weight  1.00000E+00 volume  7.98981E+06 ppm1      2.198 ppm2      0.802
 ASSI { 1202}   (( segid    A and resid 42   and name  HB2 ))   (( segid    A and resid 43   and name  HN  ))      3.748     2.028     0.750 peak  1202 weight  1.00000E+00 volume  6.25408E+06 ppm1      2.191 ppm2      8.534
 ASSI { 1203}   (( segid    A and resid 42   and name  HB2 ))   (( segid    A and resid 21   and name  HB2 ))      4.680     2.960     0.936 peak  1203 weight  1.00000E+00 volume  1.42785E+06 ppm1      2.190 ppm2      2.908
 ASSI { 1204}   (( segid    A and resid 19   and name  HB1 ))   (( segid    A and resid 43   and name  HN  ))      3.682     1.962     0.736 peak  1204 weight  1.00000E+00 volume  9.40290E+06 ppm1      2.093 ppm2      8.541
 ASSI { 1205}   (( segid    A and resid 19   and name  HB1 ))   (( segid    A and resid 19   and name  HN  ))      3.752     2.032     0.750 peak  1205 weight  1.00000E+00 volume  5.70002E+06 ppm1      2.092 ppm2      7.878
 ASSI { 1207}   (( segid    A and resid 19   and name  HB1 ))   (( segid    A and resid 19   and name  HG2 ))      3.478     1.758     0.696 peak  1207 weight  1.00000E+00 volume  3.34826E+07 ppm1      2.096 ppm2      2.411
 ASSI { 1208}   (( segid    A and resid 19   and name  HB1 ))   (( segid    A and resid 43   and name  HB2 ))      3.844     2.124     0.769 peak  1208 weight  1.00000E+00 volume  1.66254E+07 ppm1      2.092 ppm2      1.593
 ASSI { 1211}   (( segid    A and resid 62   and name  HB1 ))   (( segid    A and resid 62   and name  HA  ))      4.092     2.372     0.818 peak  1211 weight  1.00000E+00 volume  1.26127E+07 ppm1      2.077 ppm2      4.402
 ASSI { 1212}   (( segid    A and resid 37   and name  HB2 ))   (( segid    A and resid 37   and name  HD2 ))      3.546     1.826     0.709 peak  1212 weight  1.00000E+00 volume  1.02191E+07 ppm1      2.004 ppm2      3.641
 ASSI { 1213}   (( segid    A and resid 37   and name  HB2 ))   (( segid    A and resid 38   and name  HN  ))      4.740     3.020     0.948 peak  1213 weight  1.00000E+00 volume  5.22045E+06 ppm1      1.998 ppm2      8.910
 ASSI { 1216}   (( segid    A and resid 37   and name  HB2 ))   (  segid    A and resid 38   and name  HG2#)      4.528     2.808     0.906 peak  1216 weight  1.00000E+00 volume  1.23679E+07 ppm1      1.997 ppm2      1.034
 ASSI { 1217}   (( segid    A and resid 62   and name  HB2 ))   (( segid    A and resid 62   and name  HN  ))      3.549     1.829     0.710 peak  1217 weight  1.00000E+00 volume  6.11147E+06 ppm1      1.984 ppm2      7.958
 ASSI { 1218}   (( segid    A and resid 37   and name  HB2 ))   (( segid    A and resid 36   and name  HN  ))      5.220     3.500     1.044 peak  1218 weight  1.00000E+00 volume  2.92583E+06 ppm1      1.975 ppm2      8.199
 ASSI { 1219}   (( segid    A and resid 62   and name  HB2 ))   (( segid    A and resid 62   and name  HA  ))      4.230     2.510     0.846 peak  1219 weight  1.00000E+00 volume  1.03307E+07 ppm1      1.981 ppm2      4.402
 ASSI { 1220}   (( segid    A and resid 19   and name  HB2 ))   (( segid    A and resid 19   and name  HN  ))      3.602     1.882     0.720 peak  1220 weight  1.00000E+00 volume  8.05773E+06 ppm1      1.901 ppm2      7.861
 ASSI { 1222}   (( segid    A and resid 19   and name  HB2 ))   (( segid    A and resid 19   and name  HG2 ))      3.672     1.952     0.734 peak  1222 weight  1.00000E+00 volume  1.91568E+07 ppm1      1.901 ppm2      2.393
 ASSI { 1224}   (( segid    A and resid 19   and name  HB2 ))   (( segid    A and resid 43   and name  HN  ))      3.375     1.655     0.675 peak  1224 weight  1.00000E+00 volume  1.99141E+07 ppm1      1.896 ppm2      8.533
 ASSI { 1228}   (( segid    A and resid 19   and name  HB2 ))   (( segid    A and resid 43   and name  HB1 ))      3.123     1.403     0.625 peak  1228 weight  1.00000E+00 volume  6.38702E+07 ppm1      1.891 ppm2      1.644
 ASSI { 1229}   (( segid    A and resid 42   and name  HB1 ))   (( segid    A and resid 21   and name  HN  ))      4.137     2.417     0.827 peak  1229 weight  1.00000E+00 volume  9.42861E+06 ppm1      1.885 ppm2      9.089
 ASSI { 1230}   (( segid    A and resid 51   and name  HB2 ))   (( segid    A and resid 51   and name  HD2 ))      3.956     2.236     0.791 peak  1230 weight  1.00000E+00 volume  1.54590E+07 ppm1      1.886 ppm2      3.236
 ASSI { 1231}   (( segid    A and resid 42   and name  HB1 ))   (  segid    A and resid 17   and name  HG1#)      4.585     2.865     0.917 peak  1231 weight  1.00000E+00 volume  9.40279E+06 ppm1      1.884 ppm2      0.809
 ASSI { 1233}   (( segid    A and resid 42   and name  HB1 ))   (( segid    A and resid 21   and name  HB2 ))      4.912     3.192     0.982 peak  1233 weight  1.00000E+00 volume  3.72192E+06 ppm1      1.872 ppm2      2.926
 ASSI { 1234}   (  segid    A and resid 30   and name  HB# )   (  segid    A and resid 31   and name  HG2#)      4.979     3.259     0.996 peak  1234 weight  1.00000E+00 volume  1.26798E+07 ppm1      1.848 ppm2      0.951
 ASSI { 1235}   (  segid    A and resid 30   and name  HB# )   (( segid    A and resid 30   and name  HN  ))      3.239     1.519     0.648 peak  1235 weight  1.00000E+00 volume  3.35418E+07 ppm1      1.840 ppm2      7.307
 ASSI { 1236}   (  segid    A and resid 30   and name  HB# )   (( segid    A and resid 31   and name  HN  ))      4.005     2.285     0.801 peak  1236 weight  1.00000E+00 volume  9.44631E+06 ppm1      1.842 ppm2      7.160
 ASSI { 1239}   (( segid    A and resid 51   and name  HB1 ))   (  segid    A and resid 51   and name  HG# )      3.556     1.836     0.711 peak  1239 weight  1.00000E+00 volume  5.45161E+07 ppm1      1.825 ppm2      1.655
 ASSI { 1241}   (  segid    A and resid 5    and name  HB# )   (  segid    A and resid 5    and name  HG# )      5.156     3.436     1.031 peak  1241 weight  1.00000E+00 volume  1.26155E+07 ppm1      1.719 ppm2      1.363
 ASSI { 1242}   (  segid    A and resid 5    and name  HB# )   (( segid    A and resid 5    and name  HN  ))      3.885     2.165     0.777 peak  1242 weight  1.00000E+00 volume  4.57823E+06 ppm1      1.713 ppm2      8.325
 ASSI { 1245}   (( segid    A and resid 62   and name  HG1 ))   (  segid    A and resid 58   and name  HD# )      5.220     3.500     1.044 peak  1245 weight  1.00000E+00 volume  5.85705E+06 ppm1      2.550 ppm2      3.024
 ASSI { 1246}   (( segid    A and resid 62   and name  HG1 ))   (( segid    A and resid 62   and name  HB2 ))      4.062     2.342     0.812 peak  1246 weight  1.00000E+00 volume  1.31861E+07 ppm1      2.549 ppm2      2.010
 ASSI { 1247}   (  segid    A and resid 4    and name  HG# )   (( segid    A and resid 4    and name  HN  ))      5.985     4.265     1.015 peak  1247 weight  1.00000E+00 volume  1.18971E+06 ppm1      2.544 ppm2      8.150
 ASSI { 1248}   (( segid    A and resid 62   and name  HG1 ))   (( segid    A and resid 62   and name  HN  ))      5.206     3.486     1.041 peak  1248 weight  1.00000E+00 volume  2.97480E+06 ppm1      2.544 ppm2      7.967
 ASSI { 1249}   (  segid    A and resid 4    and name  HG# )   (( segid    A and resid 4    and name  HA  ))      5.614     3.894     1.123 peak  1249 weight  1.00000E+00 volume  3.78337E+06 ppm1      2.544 ppm2      4.412
 ASSI { 1251}   (( segid    A and resid 62   and name  HG2 ))   (( segid    A and resid 62   and name  HB2 ))      3.781     2.061     0.756 peak  1251 weight  1.00000E+00 volume  2.02593E+07 ppm1      2.495 ppm2      1.986
 ASSI { 1252}   (( segid    A and resid 62   and name  HG2 ))   (( segid    A and resid 62   and name  HN  ))      4.048     2.328     0.810 peak  1252 weight  1.00000E+00 volume  2.23886E+06 ppm1      2.489 ppm2      7.962
 ASSI { 1254}   (( segid    A and resid 33   and name  HB1 ))   (( segid    A and resid 34   and name  HN  ))      4.831     3.111     0.966 peak  1254 weight  1.00000E+00 volume  2.23747E+06 ppm1      2.388 ppm2      9.501
 ASSI { 1261}   (( segid    A and resid 33   and name  HB1 ))   (( segid    A and resid 33   and name  HG2 ))      3.619     1.899     0.724 peak  1261 weight  1.00000E+00 volume  2.41998E+07 ppm1      2.391 ppm2      2.116
 ASSI { 1262}   (( segid    A and resid 33   and name  HB1 ))   (( segid    A and resid 33   and name  HB2 ))      2.913     1.193     0.583 peak  1262 weight  1.00000E+00 volume  9.68987E+07 ppm1      2.392 ppm2      1.949
 ASSI { 1265}   (( segid    A and resid 33   and name  HB2 ))   (( segid    A and resid 33   and name  HD2 ))      3.802     2.082     0.760 peak  1265 weight  1.00000E+00 volume  1.04562E+07 ppm1      1.954 ppm2      4.065
 ASSI { 1266}   (( segid    A and resid 33   and name  HB2 ))   (( segid    A and resid 34   and name  HN  ))      4.979     3.259     0.996 peak  1266 weight  1.00000E+00 volume  3.88752E+06 ppm1      1.950 ppm2      9.527
 ASSI { 1268}   (( segid    A and resid 33   and name  HB2 ))   (( segid    A and resid 33   and name  HD1 ))      3.635     1.915     0.727 peak  1268 weight  1.00000E+00 volume  6.79347E+06 ppm1      1.950 ppm2      3.809
 ASSI { 1270}   (( segid    A and resid 65   and name  HB1 ))   (( segid    A and resid 65   and name  HN  ))      6.957     5.237     0.043 peak  1270 weight  1.00000E+00 volume  5.22550E+05 ppm1      1.875 ppm2      8.003
 ASSI { 1271}   (( segid    A and resid 65   and name  HB1 ))   (  segid    A and resid 64   and name  HG# )      5.031     3.311     1.006 peak  1271 weight  1.00000E+00 volume  7.30487E+06 ppm1      1.869 ppm2      2.354
 ASSI { 1272}   (( segid    A and resid 65   and name  HB1 ))   (( segid    A and resid 65   and name  HB2 ))      3.067     1.347     0.613 peak  1272 weight  1.00000E+00 volume  7.11020E+07 ppm1      1.869 ppm2      1.686
 ASSI { 1273}   (( segid    A and resid 8    and name  HB2 ))   (( segid    A and resid 8    and name  HD1 ))      3.831     2.111     0.766 peak  1273 weight  1.00000E+00 volume  5.61894E+06 ppm1      1.736 ppm2      3.215
 ASSI { 1274}   (( segid    A and resid 8    and name  HB2 ))   (( segid    A and resid 8    and name  HA  ))      3.850     2.130     0.770 peak  1274 weight  1.00000E+00 volume  1.81822E+07 ppm1      1.725 ppm2      4.361
 ASSI { 1275}   (( segid    A and resid 58   and name  HB2 ))   (( segid    A and resid 58   and name  HA  ))      3.966     2.246     0.793 peak  1275 weight  1.00000E+00 volume  1.52102E+07 ppm1      1.702 ppm2      4.214
 ASSI { 1276}   (( segid    A and resid 58   and name  HB2 ))   (( segid    A and resid 58   and name  HN  ))      3.843     2.123     0.769 peak  1276 weight  1.00000E+00 volume  4.50927E+06 ppm1      1.702 ppm2      8.479
 ASSI { 1279}   (( segid    A and resid 65   and name  HB2 ))   (( segid    A and resid 65   and name  HN  ))      4.916     3.196     0.983 peak  1279 weight  1.00000E+00 volume  1.15738E+06 ppm1      1.692 ppm2      7.973
 ASSI { 1280}   (( segid    A and resid 58   and name  HB2 ))   (( segid    A and resid 59   and name  HN  ))      3.913     2.193     0.783 peak  1280 weight  1.00000E+00 volume  4.20809E+06 ppm1      1.692 ppm2      7.742
 ASSI { 1281}   (( segid    A and resid 65   and name  HB2 ))   (  segid    A and resid 65   and name  HD# )      5.842     4.122     1.158 peak  1281 weight  1.00000E+00 volume  2.97862E+06 ppm1      1.693 ppm2      3.212
 ASSI { 1282}   (( segid    A and resid 58   and name  HB1 ))   (( segid    A and resid 59   and name  HN  ))      4.154     2.434     0.831 peak  1282 weight  1.00000E+00 volume  3.64240E+06 ppm1      1.581 ppm2      7.738
 ASSI { 1283}   (( segid    A and resid 58   and name  HB1 ))   (  segid    A and resid 38   and name  HG2#)      4.794     3.074     0.959 peak  1283 weight  1.00000E+00 volume  5.09356E+06 ppm1      1.582 ppm2      1.042
 ASSI { 1284}   (( segid    A and resid 58   and name  HB1 ))   (( segid    A and resid 58   and name  HN  ))      3.470     1.750     0.694 peak  1284 weight  1.00000E+00 volume  6.34531E+06 ppm1      1.574 ppm2      8.486
 ASSI { 1285}   (( segid    A and resid 58   and name  HB1 ))   (( segid    A and resid 58   and name  HA  ))      4.135     2.415     0.827 peak  1285 weight  1.00000E+00 volume  1.18410E+07 ppm1      1.578 ppm2      4.216
 ASSI { 1286}   (( segid    A and resid 58   and name  HB1 ))   (  segid    A and resid 58   and name  HD# )      4.585     2.865     0.917 peak  1286 weight  1.00000E+00 volume  1.27481E+07 ppm1      1.575 ppm2      3.025
 ASSI { 1287}   (( segid    A and resid 8    and name  HB1 ))   (( segid    A and resid 9    and name  HN  ))      4.635     2.915     0.927 peak  1287 weight  1.00000E+00 volume  3.21376E+06 ppm1      0.402 ppm2      9.670
 ASSI { 1288}   (( segid    A and resid 8    and name  HB1 ))   (( segid    A and resid 10   and name  HZ2 ))      5.778     4.058     1.156 peak  1288 weight  1.00000E+00 volume  1.59169E+06 ppm1      0.396 ppm2      7.566
 ASSI { 1289}   (( segid    A and resid 8    and name  HB1 ))   (( segid    A and resid 11   and name  HN  ))      4.334     2.614     0.867 peak  1289 weight  1.00000E+00 volume  3.84187E+06 ppm1      0.399 ppm2      6.992
 ASSI { 1293}   (( segid    A and resid 8    and name  HB1 ))   (( segid    A and resid 8    and name  HG1 ))      3.988     2.268     0.798 peak  1293 weight  1.00000E+00 volume  1.47245E+07 ppm1      0.399 ppm2      1.394
 ASSI { 1294}   (( segid    A and resid 8    and name  HB1 ))   (  segid    A and resid 11   and name  HD1#)      5.787     4.067     1.157 peak  1294 weight  1.00000E+00 volume  9.45854E+06 ppm1      0.401 ppm2      0.594
 OR { 1294}
   (( segid    A and resid 8    and name  HB1 ))   (  segid    A and resid 11   and name  HD2#) ASSI { 1295}   (( segid    A and resid 17   and name  HB  ))   (( segid    A and resid 17   and name  HN  ))      2.810     1.090     0.562 peak  1295 weight  1.00000E+00 volume  3.01983E+07 ppm1      2.022 ppm2      8.763
 ASSI { 1296}   (( segid    A and resid 17   and name  HB  ))   (( segid    A and resid 16   and name  HA  ))      4.338     2.618     0.868 peak  1296 weight  1.00000E+00 volume  8.89197E+06 ppm1      2.022 ppm2      4.506
 ASSI { 1297}   (( segid    A and resid 17   and name  HB  ))   (  segid    A and resid 17   and name  HG2#)      3.657     1.937     0.731 peak  1297 weight  1.00000E+00 volume  4.39373E+07 ppm1      2.021 ppm2      0.970
 ASSI { 1298}   (( segid    A and resid 17   and name  HB  ))   (  segid    A and resid 17   and name  HG1#)      3.670     1.950     0.734 peak  1298 weight  1.00000E+00 volume  5.09289E+07 ppm1      2.020 ppm2      0.797
 ASSI { 1299}   (( segid    A and resid 8    and name  HB2 ))   (( segid    A and resid 8    and name  HB1 ))      3.241     1.521     0.648 peak  1299 weight  1.00000E+00 volume  3.90304E+07 ppm1      1.725 ppm2      0.386
 ASSI { 1300}   (( segid    A and resid 8    and name  HB2 ))   (( segid    A and resid 9    and name  HN  ))      4.221     2.501     0.844 peak  1300 weight  1.00000E+00 volume  3.50967E+06 ppm1      1.720 ppm2      9.653
 ASSI { 1302}   (  segid    A and resid 23   and name  HB# )   (  segid    A and resid 22   and name  HB# )      6.071     4.351     0.929 peak  1302 weight  1.00000E+00 volume  4.73205E+06 ppm1      1.563 ppm2      3.974
 ASSI { 1303}   (  segid    A and resid 23   and name  HB# )   (( segid    A and resid 23   and name  HG1 ))      3.922     2.202     0.784 peak  1303 weight  1.00000E+00 volume  3.25601E+07 ppm1      1.559 ppm2      1.997
 ASSI { 1304}   (  segid    A and resid 23   and name  HB# )   (( segid    A and resid 23   and name  HG2 ))      3.764     2.044     0.753 peak  1304 weight  1.00000E+00 volume  4.16529E+07 ppm1      1.560 ppm2      1.832
 ASSI { 1305}   (  segid    A and resid 23   and name  HB# )   (( segid    A and resid 24   and name  HN  ))      4.234     2.514     0.847 peak  1305 weight  1.00000E+00 volume  1.37335E+07 ppm1      1.558 ppm2      8.755
 ASSI { 1308}   (  segid    A and resid 23   and name  HB# )   (( segid    A and resid 24   and name  HA  ))      5.601     3.881     1.120 peak  1308 weight  1.00000E+00 volume  3.83820E+06 ppm1      1.558 ppm2      4.395
 ASSI { 1310}   (( segid    A and resid 8    and name  HB1 ))   (( segid    A and resid 10   and name  HN  ))      4.180     2.460     0.836 peak  1310 weight  1.00000E+00 volume  3.98815E+06 ppm1      0.398 ppm2      6.681
 ASSI { 1313}   (( segid    A and resid 20   and name  HB2 ))   (( segid    A and resid 19   and name  HA  ))      4.774     3.054     0.955 peak  1313 weight  1.00000E+00 volume  5.00114E+06 ppm1      2.090 ppm2      4.559
 ASSI { 1314}   (( segid    A and resid 20   and name  HB2 ))   (  segid    A and resid 17   and name  HG1#)      3.962     2.242     0.792 peak  1314 weight  1.00000E+00 volume  7.38268E+06 ppm1      2.092 ppm2      0.801
 ASSI { 1315}   (( segid    A and resid 20   and name  HB2 ))   (( segid    A and resid 21   and name  HN  ))      3.468     1.748     0.694 peak  1315 weight  1.00000E+00 volume  1.04835E+07 ppm1      2.089 ppm2      9.073
 ASSI { 1316}   (( segid    A and resid 20   and name  HB2 ))   (( segid    A and resid 20   and name  HN  ))      3.110     1.390     0.622 peak  1316 weight  1.00000E+00 volume  1.77403E+07 ppm1      2.089 ppm2      8.563
 ASSI { 1317}   (( segid    A and resid 20   and name  HB2 ))   (( segid    A and resid 20   and name  HA  ))      3.406     1.686     0.681 peak  1317 weight  1.00000E+00 volume  2.03674E+07 ppm1      2.089 ppm2      4.115
 ASSI { 1320}   (( segid    A and resid 14   and name  HB2 ))   (( segid    A and resid 14   and name  HN  ))      3.395     1.675     0.679 peak  1320 weight  1.00000E+00 volume  1.72060E+07 ppm1      2.057 ppm2      8.198
 ASSI { 1322}   (( segid    A and resid 20   and name  HB1 ))   (( segid    A and resid 20   and name  HN  ))      3.138     1.418     0.628 peak  1322 weight  1.00000E+00 volume  2.03827E+07 ppm1      2.018 ppm2      8.566
 ASSI { 1323}   (( segid    A and resid 20   and name  HB1 ))   (( segid    A and resid 21   and name  HN  ))      3.677     1.957     0.735 peak  1323 weight  1.00000E+00 volume  1.13740E+07 ppm1      2.014 ppm2      9.077
 ASSI { 1326}   (( segid    A and resid 20   and name  HB1 ))   (( segid    A and resid 21   and name  HB2 ))      6.590     4.870     0.410 peak  1326 weight  1.00000E+00 volume  -7.22972E+05 ppm1      2.013 ppm2      2.944
 ASSI { 1327}   (( segid    A and resid 14   and name  HB1 ))   (( segid    A and resid 14   and name  HN  ))      3.088     1.368     0.618 peak  1327 weight  1.00000E+00 volume  2.41392E+07 ppm1      1.926 ppm2      8.198
 ASSI { 1329}   (( segid    A and resid 63   and name  HB2 ))   (( segid    A and resid 63   and name  HG1 ))      3.613     1.893     0.723 peak  1329 weight  1.00000E+00 volume  2.66080E+07 ppm1      1.928 ppm2      2.214
 ASSI { 1330}   (( segid    A and resid 14   and name  HB1 ))   (( segid    A and resid 14   and name  HA  ))      3.502     1.782     0.700 peak  1330 weight  1.00000E+00 volume  1.43885E+07 ppm1      1.926 ppm2      4.385
 ASSI { 1332}   (( segid    A and resid 6    and name  HB1 ))   (( segid    A and resid 6    and name  HA  ))      4.023     2.303     0.805 peak  1332 weight  1.00000E+00 volume  1.39709E+07 ppm1      1.892 ppm2      4.190
 ASSI { 1333}   (( segid    A and resid 6    and name  HB2 ))   (( segid    A and resid 6    and name  HN  ))      3.411     1.691     0.682 peak  1333 weight  1.00000E+00 volume  7.93860E+06 ppm1      1.785 ppm2      8.197
 ASSI { 1334}   (( segid    A and resid 6    and name  HB2 ))   (( segid    A and resid 7    and name  HN  ))      4.345     2.625     0.869 peak  1334 weight  1.00000E+00 volume  3.40974E+06 ppm1      1.786 ppm2      8.039
 ASSI { 1335}   (( segid    A and resid 6    and name  HB2 ))   (( segid    A and resid 6    and name  HA  ))      3.953     2.233     0.791 peak  1335 weight  1.00000E+00 volume  1.01565E+07 ppm1      1.784 ppm2      4.187
 ASSI { 1336}   (( segid    A and resid 6    and name  HB2 ))   (( segid    A and resid 6    and name  HG2 ))      3.720     2.000     0.744 peak  1336 weight  1.00000E+00 volume  2.23373E+07 ppm1      1.785 ppm2      2.088
 ASSI { 1337}   (( segid    A and resid 28   and name  HB2 ))   (( segid    A and resid 28   and name  HB1 ))      2.895     1.175     0.579 peak  1337 weight  1.00000E+00 volume  5.58545E+07 ppm1      1.716 ppm2      1.885
 ASSI { 1338}   (( segid    A and resid 28   and name  HB1 ))   (( segid    A and resid 28   and name  HN  ))      3.308     1.588     0.662 peak  1338 weight  1.00000E+00 volume  1.06660E+07 ppm1      1.894 ppm2      7.900
 ASSI { 1339}   (( segid    A and resid 28   and name  HB1 ))   (( segid    A and resid 29   and name  HN  ))      3.978     2.258     0.796 peak  1339 weight  1.00000E+00 volume  6.41504E+06 ppm1      1.891 ppm2      8.693
 ASSI { 1342}   (( segid    A and resid 28   and name  HB1 ))   (  segid    A and resid 28   and name  HG# )      4.182     2.462     0.836 peak  1342 weight  1.00000E+00 volume  1.89667E+07 ppm1      1.887 ppm2      1.462
 ASSI { 1343}   (( segid    A and resid 28   and name  HB1 ))   (( segid    A and resid 28   and name  HD1 ))      4.064     2.344     0.813 peak  1343 weight  1.00000E+00 volume  4.72788E+06 ppm1      1.884 ppm2      2.890
 ASSI { 1344}   (( segid    A and resid 28   and name  HB2 ))   (( segid    A and resid 29   and name  HA  ))      5.710     3.990     1.142 peak  1344 weight  1.00000E+00 volume  1.70882E+06 ppm1      1.725 ppm2      3.936
 ASSI { 1345}   (( segid    A and resid 28   and name  HB2 ))   (( segid    A and resid 29   and name  HN  ))      3.702     1.982     0.740 peak  1345 weight  1.00000E+00 volume  9.72197E+06 ppm1      1.719 ppm2      8.694
 ASSI { 1346}   (( segid    A and resid 28   and name  HB2 ))   (( segid    A and resid 28   and name  HN  ))      3.353     1.633     0.671 peak  1346 weight  1.00000E+00 volume  1.13599E+07 ppm1      1.717 ppm2      7.900
 ASSI { 1351}   (( segid    A and resid 28   and name  HB2 ))   (  segid    A and resid 28   and name  HG# )      3.897     2.177     0.779 peak  1351 weight  1.00000E+00 volume  2.44583E+07 ppm1      1.716 ppm2      1.461
 ASSI { 1353}   (( segid    A and resid 64   and name  HB2 ))   (( segid    A and resid 64   and name  HN  ))      3.928     2.208     0.786 peak  1353 weight  1.00000E+00 volume  2.80881E+06 ppm1      1.980 ppm2      8.281
 ASSI { 1354}   (  segid    A and resid 43   and name  HD# )   (  segid    A and resid 54   and name  HD# )      6.228     4.508     0.772 peak  1354 weight  1.00000E+00 volume  4.05741E+06 ppm1      1.359 ppm2      7.167
 ASSI { 1355}   (  segid    A and resid 43   and name  HD# )   (( segid    A and resid 43   and name  HA  ))      5.332     3.612     1.066 peak  1355 weight  1.00000E+00 volume  3.54035E+06 ppm1      1.360 ppm2      4.824
 ASSI { 1356}   (  segid    A and resid 43   and name  HD# )   (( segid    A and resid 43   and name  HN  ))      5.508     3.788     1.102 peak  1356 weight  1.00000E+00 volume  2.80153E+06 ppm1      1.355 ppm2      8.544
 ASSI { 1358}   (  segid    A and resid 43   and name  HD# )   (( segid    A and resid 43   and name  HG2 ))      4.265     2.545     0.853 peak  1358 weight  1.00000E+00 volume  1.93542E+07 ppm1      1.355 ppm2      0.886
 ASSI { 1359}   (  segid    A and resid 43   and name  HD# )   (( segid    A and resid 43   and name  HG1 ))      3.714     1.994     0.743 peak  1359 weight  1.00000E+00 volume  1.75089E+07 ppm1      1.355 ppm2      0.586
 ASSI { 1360}   (( segid    A and resid 50   and name  HB1 ))   (( segid    A and resid 50   and name  HN  ))      4.102     2.382     0.820 peak  1360 weight  1.00000E+00 volume  4.10059E+06 ppm1      2.157 ppm2      7.618
 ASSI { 1361}   (( segid    A and resid 50   and name  HB1 ))   (( segid    A and resid 49   and name  HA  ))      5.420     3.700     1.084 peak  1361 weight  1.00000E+00 volume  2.33530E+06 ppm1      2.154 ppm2      4.225
 ASSI { 1362}   (( segid    A and resid 50   and name  HB1 ))   (( segid    A and resid 50   and name  HG1 ))      3.806     2.086     0.761 peak  1362 weight  1.00000E+00 volume  1.94871E+07 ppm1      2.151 ppm2      1.337
 ASSI { 1363}   (( segid    A and resid 50   and name  HB1 ))   (( segid    A and resid 51   and name  HN  ))      4.821     3.101     0.964 peak  1363 weight  1.00000E+00 volume  2.58619E+06 ppm1      2.145 ppm2      7.273
 ASSI { 1365}   (( segid    A and resid 50   and name  HB1 ))   (( segid    A and resid 50   and name  HB2 ))      2.896     1.176     0.579 peak  1365 weight  1.00000E+00 volume  1.00478E+08 ppm1      2.151 ppm2      1.930
 ASSI { 1366}   (( segid    A and resid 50   and name  HB1 ))   (  segid    A and resid 45   and name  HG2#)      6.264     4.544     0.736 peak  1366 weight  1.00000E+00 volume  2.94054E+06 ppm1      2.146 ppm2      0.972
 ASSI { 1367}   (( segid    A and resid 50   and name  HB2 ))   (( segid    A and resid 51   and name  HN  ))      6.347     4.627     0.653 peak  1367 weight  1.00000E+00 volume  9.05699E+05 ppm1      1.942 ppm2      7.277
 ASSI { 1368}   (( segid    A and resid 50   and name  HB2 ))   (( segid    A and resid 50   and name  HD2 ))      4.400     2.680     0.880 peak  1368 weight  1.00000E+00 volume  7.13746E+06 ppm1      1.944 ppm2      1.570
 ASSI { 1369}   (( segid    A and resid 50   and name  HB2 ))   (  segid    A and resid 45   and name  HG2#)      5.715     3.995     1.143 peak  1369 weight  1.00000E+00 volume  5.10165E+06 ppm1      1.945 ppm2      0.977
 ASSI { 1370}   (( segid    A and resid 50   and name  HB2 ))   (( segid    A and resid 50   and name  HN  ))      4.041     2.321     0.808 peak  1370 weight  1.00000E+00 volume  5.04025E+06 ppm1      1.939 ppm2      7.611
 ASSI { 1373}   (( segid    A and resid 50   and name  HB2 ))   (( segid    A and resid 50   and name  HG1 ))      3.841     2.121     0.768 peak  1373 weight  1.00000E+00 volume  1.59243E+07 ppm1      1.940 ppm2      1.340
 ASSI { 1374}   (( segid    A and resid 50   and name  HB2 ))   (( segid    A and resid 51   and name  HA  ))      5.488     3.768     1.098 peak  1374 weight  1.00000E+00 volume  2.16822E+06 ppm1      1.925 ppm2      4.232
 ASSI { 1375}   (  segid    A and resid 30   and name  HD# )   (  segid    A and resid 30   and name  HB# )      3.983     2.263     0.797 peak  1375 weight  1.00000E+00 volume  5.93185E+07 ppm1      1.648 ppm2      1.828
 ASSI { 1376}   (  segid    A and resid 30   and name  HD# )   (( segid    A and resid 30   and name  HN  ))      5.128     3.408     1.026 peak  1376 weight  1.00000E+00 volume  5.33122E+06 ppm1      1.646 ppm2      7.345
 ASSI { 1378}   (  segid    A and resid 30   and name  HD# )   (( segid    A and resid 31   and name  HN  ))      6.702     4.982     0.298 peak  1378 weight  1.00000E+00 volume  1.30716E+06 ppm1      1.634 ppm2      7.184
 ASSI { 1380}   (( segid    A and resid 50   and name  HD1 ))   (( segid    A and resid 50   and name  HN  ))      4.014     2.294     0.803 peak  1380 weight  1.00000E+00 volume  3.22468E+06 ppm1      1.623 ppm2      7.608
 ASSI { 1382}   (( segid    A and resid 50   and name  HD2 ))   (( segid    A and resid 50   and name  HN  ))      4.835     3.115     0.967 peak  1382 weight  1.00000E+00 volume  1.83839E+06 ppm1      1.554 ppm2      7.601
 ASSI { 1383}   (( segid    A and resid 50   and name  HD2 ))   (( segid    A and resid 50   and name  HA  ))      4.102     2.382     0.820 peak  1383 weight  1.00000E+00 volume  7.03503E+06 ppm1      1.553 ppm2      4.064
 ASSI { 1384}   (( segid    A and resid 50   and name  HD2 ))   (( segid    A and resid 50   and name  HB1 ))      4.306     2.586     0.861 peak  1384 weight  1.00000E+00 volume  9.29277E+06 ppm1      1.556 ppm2      2.120
 ASSI { 1385}   (( segid    A and resid 50   and name  HD2 ))   (  segid    A and resid 50   and name  HE# )      4.619     2.899     0.924 peak  1385 weight  1.00000E+00 volume  1.21967E+07 ppm1      1.552 ppm2      3.000
 ASSI { 1386}   (( segid    A and resid 50   and name  HD2 ))   (  segid    A and resid 45   and name  HG2#)      6.305     4.585     0.695 peak  1386 weight  1.00000E+00 volume  2.82920E+06 ppm1      1.547 ppm2      0.973
 ASSI { 1387}   (( segid    A and resid 55   and name  HD2 ))   (( segid    A and resid 10   and name  HE3 ))      5.425     3.705     1.085 peak  1387 weight  1.00000E+00 volume  2.32218E+06 ppm1      0.804 ppm2      7.227
 ASSI { 1388}   (( segid    A and resid 55   and name  HD2 ))   (( segid    A and resid 55   and name  HG2 ))      3.792     2.072     0.758 peak  1388 weight  1.00000E+00 volume  1.99309E+07 ppm1      0.798 ppm2      0.595
 ASSI { 1389}   (( segid    A and resid 55   and name  HD2 ))   (( segid    A and resid 55   and name  HD1 ))      3.314     1.594     0.663 peak  1389 weight  1.00000E+00 volume  4.47329E+07 ppm1      0.799 ppm2     -0.401
 ASSI { 1390}   (( segid    A and resid 55   and name  HD2 ))   (( segid    A and resid 55   and name  HA  ))      4.817     3.097     0.963 peak  1390 weight  1.00000E+00 volume  3.28737E+06 ppm1      0.794 ppm2      4.650
 ASSI { 1395}   (( segid    A and resid 55   and name  HD1 ))   (( segid    A and resid 55   and name  HG2 ))      3.924     2.204     0.785 peak  1395 weight  1.00000E+00 volume  1.62269E+07 ppm1     -0.388 ppm2      0.595
 ASSI { 1396}   (( segid    A and resid 55   and name  HD1 ))   (( segid    A and resid 10   and name  HE3 ))      5.623     3.903     1.125 peak  1396 weight  1.00000E+00 volume  1.87393E+06 ppm1     -0.391 ppm2      7.228
 ASSI { 1397}   (( segid    A and resid 55   and name  HD1 ))   (( segid    A and resid 10   and name  HB2 ))      5.897     4.177     1.103 peak  1397 weight  1.00000E+00 volume  8.09138E+05 ppm1     -0.395 ppm2      2.874
 ASSI { 1400}   (( segid    A and resid 37   and name  HG2 ))   (( segid    A and resid 36   and name  HN  ))      5.258     3.538     1.052 peak  1400 weight  1.00000E+00 volume  1.59214E+06 ppm1      2.218 ppm2      8.200
 ASSI { 1404}   (( segid    A and resid 37   and name  HG2 ))   (( segid    A and resid 37   and name  HG1 ))      3.084     1.364     0.617 peak  1404 weight  1.00000E+00 volume  6.88822E+07 ppm1      2.214 ppm2      2.003
 ASSI { 1405}   (( segid    A and resid 37   and name  HG2 ))   (  segid    A and resid 38   and name  HG2#)      5.424     3.704     1.085 peak  1405 weight  1.00000E+00 volume  6.06832E+06 ppm1      2.215 ppm2      1.037
 ASSI { 1406}   (( segid    A and resid 37   and name  HG2 ))   (( segid    A and resid 38   and name  HN  ))      4.943     3.223     0.989 peak  1406 weight  1.00000E+00 volume  2.42166E+06 ppm1      2.212 ppm2      8.911
 ASSI { 1407}   (( segid    A and resid 37   and name  HG2 ))   (( segid    A and resid 56   and name  HB2 ))      4.890     3.170     0.978 peak  1407 weight  1.00000E+00 volume  4.33401E+06 ppm1      2.212 ppm2      3.855
 ASSI { 1408}   (( segid    A and resid 34   and name  HB1 ))   (( segid    A and resid 56   and name  HN  ))      4.637     2.917     0.927 peak  1408 weight  1.00000E+00 volume  5.95539E+06 ppm1      2.018 ppm2      9.231
 ASSI { 1410}   (( segid    A and resid 34   and name  HB1 ))   (( segid    A and resid 34   and name  HB2 ))      3.415     1.695     0.683 peak  1410 weight  1.00000E+00 volume  3.73535E+07 ppm1      2.018 ppm2      1.758
 ASSI { 1411}   (( segid    A and resid 34   and name  HB1 ))   (( segid    A and resid 34   and name  HN  ))      4.457     2.737     0.891 peak  1411 weight  1.00000E+00 volume  7.55303E+06 ppm1      2.015 ppm2      9.519
 ASSI { 1412}   (( segid    A and resid 34   and name  HB1 ))   (( segid    A and resid 55   and name  HA  ))      4.578     2.858     0.916 peak  1412 weight  1.00000E+00 volume  6.43710E+06 ppm1      2.017 ppm2      4.639
 ASSI { 1413}   (( segid    A and resid 34   and name  HB1 ))   (  segid    A and resid 32   and name  HG2#)      3.727     2.007     0.745 peak  1413 weight  1.00000E+00 volume  7.70592E+06 ppm1      2.012 ppm2      0.796
 ASSI { 1414}   (( segid    A and resid 34   and name  HB1 ))   (  segid    A and resid 41   and name  HG1#)      3.950     2.230     0.790 peak  1414 weight  1.00000E+00 volume  1.28519E+07 ppm1      2.015 ppm2      0.603
 ASSI { 1415}   (( segid    A and resid 37   and name  HG1 ))   (( segid    A and resid 38   and name  HN  ))      3.766     2.046     0.753 peak  1415 weight  1.00000E+00 volume  3.16292E+06 ppm1      2.002 ppm2      8.916
 ASSI { 1416}   (( segid    A and resid 37   and name  HG1 ))   (( segid    A and resid 37   and name  HA  ))      3.406     1.686     0.681 peak  1416 weight  1.00000E+00 volume  1.82239E+07 ppm1      2.002 ppm2      4.224
 ASSI { 1417}   (( segid    A and resid 37   and name  HG1 ))   (( segid    A and resid 37   and name  HB1 ))      3.081     1.361     0.616 peak  1417 weight  1.00000E+00 volume  3.96075E+07 ppm1      2.005 ppm2      2.454
 ASSI { 1418}   (( segid    A and resid 37   and name  HG1 ))   (  segid    A and resid 38   and name  HG2#)      4.528     2.808     0.906 peak  1418 weight  1.00000E+00 volume  6.91435E+06 ppm1      2.002 ppm2      1.028
 ASSI { 1419}   (( segid    A and resid 37   and name  HG1 ))   (( segid    A and resid 36   and name  HN  ))      4.549     2.829     0.910 peak  1419 weight  1.00000E+00 volume  1.59526E+06 ppm1      1.994 ppm2      8.206
 ASSI { 1421}   (( segid    A and resid 34   and name  HB2 ))   (( segid    A and resid 34   and name  HN  ))      3.531     1.811     0.706 peak  1421 weight  1.00000E+00 volume  9.69283E+06 ppm1      1.767 ppm2      9.521
 ASSI { 1422}   (( segid    A and resid 34   and name  HB2 ))   (( segid    A and resid 56   and name  HN  ))      4.507     2.787     0.901 peak  1422 weight  1.00000E+00 volume  2.58435E+06 ppm1      1.764 ppm2      9.223
 ASSI { 1423}   (( segid    A and resid 34   and name  HB2 ))   (( segid    A and resid 55   and name  HA  ))      4.828     3.108     0.966 peak  1423 weight  1.00000E+00 volume  3.99507E+06 ppm1      1.767 ppm2      4.633
 ASSI { 1428}   (( segid    A and resid 34   and name  HB2 ))   (  segid    A and resid 32   and name  HG2#)      4.511     2.791     0.902 peak  1428 weight  1.00000E+00 volume  1.09063E+07 ppm1      1.766 ppm2      0.802
 ASSI { 1429}   (( segid    A and resid 34   and name  HB2 ))   (  segid    A and resid 41   and name  HG1#)      4.727     3.007     0.945 peak  1429 weight  1.00000E+00 volume  1.59300E+07 ppm1      1.765 ppm2      0.607
 ASSI { 1430}   (( segid    A and resid 34   and name  HB2 ))   (( segid    A and resid 35   and name  HN  ))      4.417     2.697     0.883 peak  1430 weight  1.00000E+00 volume  2.36979E+06 ppm1      1.761 ppm2      7.876
 ASSI { 1431}   (( segid    A and resid 10   and name  HB2 ))   (( segid    A and resid 11   and name  HN  ))      4.802     3.082     0.960 peak  1431 weight  1.00000E+00 volume  2.86685E+06 ppm1      2.892 ppm2      7.010
 ASSI { 1433}   (( segid    A and resid 10   and name  HB2 ))   (  segid    A and resid 44   and name  HD1#)      4.930     3.210     0.986 peak  1433 weight  1.00000E+00 volume  1.23700E+07 ppm1      2.888 ppm2      0.578
 ASSI { 1434}   (( segid    A and resid 10   and name  HB2 ))   (  segid    A and resid 15   and name  HE# )      5.218     3.498     1.044 peak  1434 weight  1.00000E+00 volume  5.86752E+06 ppm1      2.886 ppm2      7.385
 ASSI { 1437}   (( segid    A and resid 10   and name  HB2 ))   (( segid    A and resid 10   and name  HN  ))      3.957     2.237     0.791 peak  1437 weight  1.00000E+00 volume  7.34165E+06 ppm1      2.886 ppm2      6.690
 ASSI { 1438}   (( segid    A and resid 10   and name  HB2 ))   (( segid    A and resid 11   and name  HA  ))      5.754     4.034     1.151 peak  1438 weight  1.00000E+00 volume  1.63205E+06 ppm1      2.882 ppm2      4.213
 ASSI { 1439}   (( segid    A and resid 10   and name  HB2 ))   (( segid    A and resid 10   and name  HB1 ))      3.288     1.568     0.658 peak  1439 weight  1.00000E+00 volume  4.68141E+07 ppm1      2.887 ppm2      2.154
 ASSI { 1445}   (( segid    A and resid 10   and name  HB1 ))   (  segid    A and resid 44   and name  HD1#)      4.507     2.787     0.901 peak  1445 weight  1.00000E+00 volume  1.71070E+07 ppm1      2.169 ppm2      0.577
 ASSI { 1446}   (( segid    A and resid 10   and name  HB1 ))   (  segid    A and resid 15   and name  HE# )      5.654     3.934     1.131 peak  1446 weight  1.00000E+00 volume  3.62604E+06 ppm1      2.164 ppm2      7.381
 ASSI { 1447}   (( segid    A and resid 10   and name  HB1 ))   (( segid    A and resid 10   and name  HN  ))      3.620     1.900     0.724 peak  1447 weight  1.00000E+00 volume  9.45518E+06 ppm1      2.165 ppm2      6.685
 ASSI { 1448}   (( segid    A and resid 33   and name  HG2 ))   (( segid    A and resid 34   and name  HN  ))      4.363     2.643     0.873 peak  1448 weight  1.00000E+00 volume  4.29128E+06 ppm1      2.126 ppm2      9.522
 ASSI { 1454}   (( segid    A and resid 33   and name  HG2 ))   (( segid    A and resid 33   and name  HG1 ))      2.785     1.065     0.557 peak  1454 weight  1.00000E+00 volume  1.26938E+08 ppm1      2.129 ppm2      1.987
 ASSI { 1455}   (( segid    A and resid 33   and name  HG1 ))   (( segid    A and resid 33   and name  HA  ))      3.476     1.756     0.695 peak  1455 weight  1.00000E+00 volume  1.83425E+07 ppm1      1.996 ppm2      4.284
 ASSI { 1457}   (( segid    A and resid 33   and name  HG1 ))   (( segid    A and resid 33   and name  HB1 ))      2.926     1.206     0.585 peak  1457 weight  1.00000E+00 volume  4.38653E+07 ppm1      1.998 ppm2      2.402
 ASSI { 1463}   (( segid    A and resid 8    and name  HG2 ))   (( segid    A and resid 8    and name  HA  ))      4.267     2.547     0.853 peak  1463 weight  1.00000E+00 volume  9.80851E+06 ppm1      1.757 ppm2      4.362
 ASSI { 1466}   (( segid    A and resid 8    and name  HG2 ))   (( segid    A and resid 8    and name  HG1 ))      3.046     1.326     0.609 peak  1466 weight  1.00000E+00 volume  5.62141E+07 ppm1      1.760 ppm2      1.396
 ASSI { 1467}   (( segid    A and resid 8    and name  HG2 ))   (( segid    A and resid 8    and name  HB1 ))      3.318     1.598     0.664 peak  1467 weight  1.00000E+00 volume  1.50632E+07 ppm1      1.758 ppm2      0.389
 ASSI { 1469}   (  segid    A and resid 51   and name  HG# )   (( segid    A and resid 51   and name  HN  ))      3.795     2.075     0.759 peak  1469 weight  1.00000E+00 volume  1.20449E+07 ppm1      1.665 ppm2      7.278
 ASSI { 1474}   (  segid    A and resid 51   and name  HG# )   (( segid    A and resid 52   and name  HN  ))      4.423     2.703     0.885 peak  1474 weight  1.00000E+00 volume  6.10463E+06 ppm1      1.657 ppm2      8.481
 ASSI { 1476}   (( segid    A and resid 58   and name  HG2 ))   (( segid    A and resid 58   and name  HB2 ))      3.108     1.388     0.622 peak  1476 weight  1.00000E+00 volume  6.56667E+07 ppm1      1.521 ppm2      1.676
 ASSI { 1477}   (( segid    A and resid 58   and name  HG2 ))   (  segid    A and resid 38   and name  HG2#)      4.476     2.756     0.895 peak  1477 weight  1.00000E+00 volume  5.98930E+06 ppm1      1.522 ppm2      1.025
 ASSI { 1478}   (( segid    A and resid 58   and name  HG2 ))   (( segid    A and resid 58   and name  HN  ))      5.178     3.458     1.036 peak  1478 weight  1.00000E+00 volume  3.07198E+06 ppm1      1.514 ppm2      8.488
 ASSI { 1480}   (( segid    A and resid 58   and name  HG2 ))   (( segid    A and resid 58   and name  HA  ))      4.343     2.623     0.869 peak  1480 weight  1.00000E+00 volume  8.82573E+06 ppm1      1.517 ppm2      4.216
 ASSI { 1482}   (( segid    A and resid 58   and name  HG2 ))   (( segid    A and resid 59   and name  HN  ))      5.466     3.746     1.093 peak  1482 weight  1.00000E+00 volume  2.22166E+06 ppm1      1.508 ppm2      7.745
 ASSI { 1483}   (( segid    A and resid 58   and name  HG1 ))   (( segid    A and resid 58   and name  HN  ))      5.253     3.533     1.051 peak  1483 weight  1.00000E+00 volume  2.81935E+06 ppm1      1.489 ppm2      8.493
 ASSI { 1484}   (( segid    A and resid 58   and name  HG1 ))   (( segid    A and resid 59   and name  HN  ))      4.518     2.798     0.904 peak  1484 weight  1.00000E+00 volume  2.31652E+06 ppm1      1.484 ppm2      7.734
 ASSI { 1485}   (( segid    A and resid 58   and name  HG1 ))   (( segid    A and resid 58   and name  HA  ))      4.321     2.601     0.864 peak  1485 weight  1.00000E+00 volume  9.09559E+06 ppm1      1.473 ppm2      4.215
 ASSI { 1486}   (( segid    A and resid 58   and name  HG1 ))   (  segid    A and resid 58   and name  HD# )      3.657     1.937     0.731 peak  1486 weight  1.00000E+00 volume  1.99271E+07 ppm1      1.476 ppm2      3.025
 ASSI { 1488}   (( segid    A and resid 58   and name  HG1 ))   (( segid    A and resid 58   and name  HB2 ))      3.210     1.490     0.642 peak  1488 weight  1.00000E+00 volume  5.40899E+07 ppm1      1.473 ppm2      1.673
 ASSI { 1489}   (( segid    A and resid 8    and name  HG1 ))   (( segid    A and resid 10   and name  HZ2 ))      5.242     3.522     1.048 peak  1489 weight  1.00000E+00 volume  2.85297E+06 ppm1      1.406 ppm2      7.564
 ASSI { 1495}   (( segid    A and resid 8    and name  HG1 ))   (  segid    A and resid 11   and name  HD1#)      5.362     3.642     1.072 peak  1495 weight  1.00000E+00 volume  1.49456E+07 ppm1      1.407 ppm2      0.601
 OR { 1495}
   (( segid    A and resid 8    and name  HG1 ))   (  segid    A and resid 11   and name  HD2#) ASSI { 1497}   (( segid    A and resid 23   and name  HG1 ))   (  segid    A and resid 40   and name  HE# )      5.774     4.054     1.155 peak  1497 weight  1.00000E+00 volume  3.19636E+06 ppm1      2.008 ppm2      6.850
 ASSI { 1500}   (( segid    A and resid 23   and name  HG1 ))   (( segid    A and resid 23   and name  HG2 ))      3.059     1.339     0.612 peak  1500 weight  1.00000E+00 volume  7.22650E+07 ppm1      2.006 ppm2      1.833
 ASSI { 1502}   (( segid    A and resid 23   and name  HG1 ))   (( segid    A and resid 24   and name  HN  ))      5.138     3.418     1.028 peak  1502 weight  1.00000E+00 volume  1.91154E+06 ppm1      1.997 ppm2      8.743
 ASSI { 1507}   (( segid    A and resid 23   and name  HG2 ))   (( segid    A and resid 24   and name  HN  ))      5.251     3.531     1.050 peak  1507 weight  1.00000E+00 volume  1.63312E+06 ppm1      1.842 ppm2      8.753
 ASSI { 1510}   (( segid    A and resid 61   and name  HG  ))   (  segid    A and resid 61   and name  HD1#)      4.779     3.059     0.956 peak  1510 weight  1.00000E+00 volume  1.49090E+07 ppm1      1.604 ppm2      0.916
 ASSI { 1511}   (( segid    A and resid 61   and name  HG  ))   (( segid    A and resid 62   and name  HN  ))      4.217     2.497     0.843 peak  1511 weight  1.00000E+00 volume  1.05337E+07 ppm1      1.593 ppm2      7.965
 ASSI { 1512}   (( segid    A and resid 61   and name  HG  ))   (( segid    A and resid 61   and name  HA  ))      4.482     2.762     0.896 peak  1512 weight  1.00000E+00 volume  7.30842E+06 ppm1      1.598 ppm2      4.232
 ASSI { 1515}   (( segid    A and resid 44   and name  HG12))   (( segid    A and resid 43   and name  HA  ))      5.149     3.429     1.030 peak  1515 weight  1.00000E+00 volume  3.17874E+06 ppm1      1.109 ppm2      4.816
 ASSI { 1517}   (( segid    A and resid 44   and name  HG12))   (( segid    A and resid 44   and name  HN  ))      3.559     1.839     0.712 peak  1517 weight  1.00000E+00 volume  1.12023E+07 ppm1      1.108 ppm2      9.275
 ASSI { 1518}   (( segid    A and resid 44   and name  HG12))   (( segid    A and resid 53   and name  HN  ))      4.214     2.494     0.843 peak  1518 weight  1.00000E+00 volume  3.48510E+06 ppm1      1.106 ppm2      8.673
 ASSI { 1519}   (( segid    A and resid 44   and name  HG12))   (  segid    A and resid 15   and name  HD# )      5.981     4.261     1.019 peak  1519 weight  1.00000E+00 volume  2.58809E+06 ppm1      1.105 ppm2      7.195
 ASSI { 1521}   (( segid    A and resid 44   and name  HG12))   (( segid    A and resid 44   and name  HA  ))      4.755     3.035     0.951 peak  1521 weight  1.00000E+00 volume  3.42750E+06 ppm1      1.108 ppm2      5.149
 ASSI { 1522}   (( segid    A and resid 44   and name  HG12))   (  segid    A and resid 15   and name  HB# )      6.187     4.467     0.813 peak  1522 weight  1.00000E+00 volume  2.11176E+06 ppm1      1.107 ppm2      2.896
 ASSI { 1524}   (( segid    A and resid 44   and name  HG12))   (( segid    A and resid 53   and name  HB1 ))      4.274     2.554     0.855 peak  1524 weight  1.00000E+00 volume  9.71441E+06 ppm1      1.106 ppm2      1.601
 ASSI { 1525}   (( segid    A and resid 44   and name  HG12))   (( segid    A and resid 44   and name  HG11))      3.116     1.396     0.623 peak  1525 weight  1.00000E+00 volume  6.46470E+07 ppm1      1.108 ppm2      0.651
 ASSI { 1526}   (( segid    A and resid 11   and name  HG  ))   (( segid    A and resid 11   and name  HN  ))      3.506     1.786     0.701 peak  1526 weight  1.00000E+00 volume  8.67153E+06 ppm1      0.701 ppm2      6.990
 ASSI { 1527}   (( segid    A and resid 11   and name  HG  ))   (( segid    A and resid 11   and name  HA  ))      3.668     1.948     0.734 peak  1527 weight  1.00000E+00 volume  5.83947E+06 ppm1      0.697 ppm2      4.205
 ASSI { 1528}   (( segid    A and resid 11   and name  HG  ))   (( segid    A and resid 8    and name  HD1 ))      4.555     2.835     0.911 peak  1528 weight  1.00000E+00 volume  2.29134E+06 ppm1      0.699 ppm2      3.219
 ASSI { 1529}   (( segid    A and resid 11   and name  HG  ))   (  segid    A and resid 11   and name  HB# )      3.864     2.144     0.773 peak  1529 weight  1.00000E+00 volume  2.32919E+07 ppm1      0.700 ppm2      1.367
 ASSI { 1530}   (( segid    A and resid 11   and name  HG  ))   (( segid    A and resid 8    and name  HB1 ))      4.467     2.747     0.893 peak  1530 weight  1.00000E+00 volume  2.78158E+06 ppm1      0.698 ppm2      0.394
 ASSI { 1531}   (( segid    A and resid 44   and name  HG11))   (( segid    A and resid 44   and name  HA  ))      3.414     1.694     0.683 peak  1531 weight  1.00000E+00 volume  2.65766E+06 ppm1      0.674 ppm2      5.156
 ASSI { 1532}   (( segid    A and resid 44   and name  HG11))   (( segid    A and resid 44   and name  HN  ))      4.605     2.885     0.921 peak  1532 weight  1.00000E+00 volume  6.21159E+06 ppm1      0.670 ppm2      9.276
 ASSI { 1533}   (( segid    A and resid 44   and name  HG11))   (( segid    A and resid 44   and name  HB  ))      3.273     1.553     0.655 peak  1533 weight  1.00000E+00 volume  9.09856E+06 ppm1      0.667 ppm2      1.905
 ASSI { 1535}   (( segid    A and resid 44   and name  HG11))   (  segid    A and resid 15   and name  HB# )      4.394     2.674     0.879 peak  1535 weight  1.00000E+00 volume  3.37858E+06 ppm1      0.667 ppm2      2.891
 ASSI { 1536}   (( segid    A and resid 44   and name  HG11))   (( segid    A and resid 55   and name  HD1 ))      3.980     2.260     0.796 peak  1536 weight  1.00000E+00 volume  1.54238E+06 ppm1      0.663 ppm2     -0.406
 ASSI { 1537}   (  segid    A and resid 28   and name  HG# )   (( segid    A and resid 25   and name  HN  ))      5.270     3.550     1.054 peak  1537 weight  1.00000E+00 volume  5.52633E+06 ppm1      1.469 ppm2      8.705
 ASSI { 1538}   (  segid    A and resid 28   and name  HG# )   (( segid    A and resid 28   and name  HN  ))      4.602     2.882     0.920 peak  1538 weight  1.00000E+00 volume  4.96106E+06 ppm1      1.469 ppm2      7.890
 ASSI { 1546}   (  segid    A and resid 28   and name  HG# )   (  segid    A and resid 32   and name  HG2#)      5.055     3.335     1.011 peak  1546 weight  1.00000E+00 volume  8.14533E+06 ppm1      1.466 ppm2      0.801
 ASSI { 1547}   (( segid    A and resid 30   and name  HG1 ))   (( segid    A and resid 30   and name  HA  ))      4.064     2.344     0.813 peak  1547 weight  1.00000E+00 volume  5.16238E+06 ppm1      1.544 ppm2      4.067
 ASSI { 1548}   (( segid    A and resid 30   and name  HG1 ))   (  segid    A and resid 30   and name  HE# )      5.650     3.930     1.130 peak  1548 weight  1.00000E+00 volume  3.64285E+06 ppm1      1.550 ppm2      2.934
 ASSI { 1550}   (( segid    A and resid 30   and name  HG1 ))   (( segid    A and resid 30   and name  HN  ))      3.759     2.039     0.752 peak  1550 weight  1.00000E+00 volume  5.16476E+06 ppm1      1.540 ppm2      7.310
 ASSI { 1551}   (( segid    A and resid 30   and name  HG2 ))   (  segid    A and resid 30   and name  HE# )      5.257     3.537     1.051 peak  1551 weight  1.00000E+00 volume  5.61010E+06 ppm1      1.454 ppm2      2.931
 ASSI { 1552}   (( segid    A and resid 30   and name  HG2 ))   (( segid    A and resid 31   and name  HN  ))      4.887     3.167     0.977 peak  1552 weight  1.00000E+00 volume  1.33566E+06 ppm1      1.447 ppm2      7.171
 ASSI { 1559}   (( segid    A and resid 43   and name  HG1 ))   (( segid    A and resid 43   and name  HG2 ))      3.315     1.595     0.663 peak  1559 weight  1.00000E+00 volume  4.31304E+07 ppm1      0.582 ppm2      0.894
 ASSI { 1561}   (  segid    A and resid 11   and name  HD1#)   (( segid    A and resid 11   and name  HA  ))      5.273     3.553     1.055 peak  1561 weight  1.00000E+00 volume  8.26720E+06 ppm1      0.597 ppm2      4.206
 ASSI { 1564}   (  segid    A and resid 11   and name  HD1#)   (  segid    A and resid 11   and name  HB# )      4.143     2.423     0.829 peak  1564 weight  1.00000E+00 volume  7.02653E+07 ppm1      0.598 ppm2      1.364
 ASSI { 1565}   (  segid    A and resid 11   and name  HD1#)   (( segid    A and resid 8    and name  HB1 ))      5.393     3.673     1.079 peak  1565 weight  1.00000E+00 volume  7.22382E+06 ppm1      0.597 ppm2      0.403
 ASSI { 1568}   (( segid    A and resid 30   and name  HG1 ))   (  segid    A and resid 30   and name  HB# )      4.108     2.388     0.822 peak  1568 weight  1.00000E+00 volume  1.80462E+07 ppm1      1.545 ppm2      1.832
 ASSI { 1569}   (( segid    A and resid 30   and name  HG2 ))   (( segid    A and resid 30   and name  HN  ))      3.956     2.236     0.791 peak  1569 weight  1.00000E+00 volume  3.95662E+06 ppm1      1.447 ppm2      7.311
 ASSI { 1572}   (( segid    A and resid 30   and name  HG2 ))   (  segid    A and resid 30   and name  HB# )      4.314     2.594     0.863 peak  1572 weight  1.00000E+00 volume  1.83646E+07 ppm1      1.456 ppm2      1.833
 ASSI { 1573}   (( segid    A and resid 50   and name  HG1 ))   (( segid    A and resid 50   and name  HN  ))      4.144     2.424     0.829 peak  1573 weight  1.00000E+00 volume  3.58177E+06 ppm1      1.363 ppm2      7.610
 ASSI { 1574}   (  segid    A and resid 5    and name  HG# )   (( segid    A and resid 5    and name  HA  ))      5.286     3.566     1.057 peak  1574 weight  1.00000E+00 volume  5.42716E+06 ppm1      1.362 ppm2      4.218
 ASSI { 1575}   (( segid    A and resid 50   and name  HG1 ))   (( segid    A and resid 50   and name  HA  ))      4.245     2.525     0.849 peak  1575 weight  1.00000E+00 volume  7.25421E+06 ppm1      1.364 ppm2      4.051
 ASSI { 1576}   (( segid    A and resid 50   and name  HG1 ))   (  segid    A and resid 50   and name  HE# )      5.003     3.283     1.001 peak  1576 weight  1.00000E+00 volume  7.55141E+06 ppm1      1.362 ppm2      2.981
 ASSI { 1579}   (  segid    A and resid 5    and name  HG# )   (  segid    A and resid 5    and name  HD# )      4.405     2.685     0.881 peak  1579 weight  1.00000E+00 volume  3.24248E+07 ppm1      1.366 ppm2      1.634
 ASSI { 1580}   (( segid    A and resid 50   and name  HG1 ))   (( segid    A and resid 50   and name  HD2 ))      3.443     1.723     0.689 peak  1580 weight  1.00000E+00 volume  3.55282E+07 ppm1      1.365 ppm2      1.562
 ASSI { 1581}   (( segid    A and resid 50   and name  HG2 ))   (( segid    A and resid 50   and name  HN  ))      3.974     2.254     0.795 peak  1581 weight  1.00000E+00 volume  4.20898E+06 ppm1      1.258 ppm2      7.614
 ASSI { 1583}   (( segid    A and resid 50   and name  HG2 ))   (( segid    A and resid 49   and name  HB2 ))      6.539     4.819     0.461 peak  1583 weight  1.00000E+00 volume  7.57631E+05 ppm1      1.255 ppm2      3.891
 ASSI { 1584}   (( segid    A and resid 50   and name  HG2 ))   (  segid    A and resid 50   and name  HE# )      5.291     3.571     1.058 peak  1584 weight  1.00000E+00 volume  5.40090E+06 ppm1      1.258 ppm2      2.998
 ASSI { 1585}   (( segid    A and resid 50   and name  HG2 ))   (( segid    A and resid 50   and name  HB1 ))      3.955     2.235     0.791 peak  1585 weight  1.00000E+00 volume  1.40928E+07 ppm1      1.257 ppm2      2.136
 ASSI { 1586}   (( segid    A and resid 50   and name  HG2 ))   (( segid    A and resid 50   and name  HB2 ))      4.016     2.296     0.803 peak  1586 weight  1.00000E+00 volume  1.32424E+07 ppm1      1.257 ppm2      1.930
 ASSI { 1587}   (( segid    A and resid 50   and name  HG2 ))   (( segid    A and resid 50   and name  HD2 ))      3.744     2.024     0.749 peak  1587 weight  1.00000E+00 volume  2.15131E+07 ppm1      1.257 ppm2      1.556
 ASSI { 1592}   (( segid    A and resid 43   and name  HG2 ))   (( segid    A and resid 44   and name  HN  ))      3.894     2.174     0.779 peak  1592 weight  1.00000E+00 volume  4.98120E+06 ppm1      0.887 ppm2      9.272
 ASSI { 1596}   (( segid    A and resid 43   and name  HG1 ))   (( segid    A and resid 44   and name  HN  ))      3.608     1.888     0.722 peak  1596 weight  1.00000E+00 volume  4.67326E+06 ppm1      0.590 ppm2      9.288
 ASSI { 1600}   (( segid    A and resid 55   and name  HG1 ))   (( segid    A and resid 56   and name  HN  ))      5.178     3.458     1.036 peak  1600 weight  1.00000E+00 volume  3.07226E+06 ppm1      1.022 ppm2      9.220
 ASSI { 1601}   (( segid    A and resid 55   and name  HG1 ))   (( segid    A and resid 55   and name  HA  ))      4.630     2.910     0.926 peak  1601 weight  1.00000E+00 volume  6.01153E+06 ppm1      1.025 ppm2      4.629
 ASSI { 1602}   (( segid    A and resid 55   and name  HG1 ))   (( segid    A and resid 55   and name  HE2 ))      4.745     3.025     0.949 peak  1602 weight  1.00000E+00 volume  5.19188E+06 ppm1      1.025 ppm2      1.598
 ASSI { 1603}   (( segid    A and resid 55   and name  HG1 ))   (( segid    A and resid 55   and name  HB1 ))      3.934     2.214     0.787 peak  1603 weight  1.00000E+00 volume  1.59796E+07 ppm1      1.026 ppm2      1.231
 ASSI { 1604}   (( segid    A and resid 55   and name  HG1 ))   (( segid    A and resid 55   and name  HD2 ))      4.211     2.491     0.842 peak  1604 weight  1.00000E+00 volume  1.06167E+07 ppm1      1.020 ppm2      0.790
 ASSI { 1605}   (( segid    A and resid 55   and name  HG1 ))   (( segid    A and resid 55   and name  HG2 ))      3.214     1.494     0.643 peak  1605 weight  1.00000E+00 volume  4.08264E+07 ppm1      1.024 ppm2      0.571
 ASSI { 1606}   (( segid    A and resid 55   and name  HG1 ))   (( segid    A and resid 55   and name  HD1 ))      4.386     2.666     0.877 peak  1606 weight  1.00000E+00 volume  8.31642E+06 ppm1      1.021 ppm2     -0.400
 ASSI { 1607}   (( segid    A and resid 55   and name  HG1 ))   (( segid    A and resid 55   and name  HN  ))      5.432     3.712     1.086 peak  1607 weight  1.00000E+00 volume  2.30648E+06 ppm1      1.013 ppm2      8.812
 ASSI { 1608}   (( segid    A and resid 55   and name  HG1 ))   (( segid    A and resid 55   and name  HE1 ))      4.382     2.662     0.876 peak  1608 weight  1.00000E+00 volume  3.10516E+06 ppm1      1.010 ppm2      1.995
 ASSI { 1609}   (  segid    A and resid 61   and name  HD1#)   (  segid    A and resid 61   and name  HB# )      4.517     2.797     0.903 peak  1609 weight  1.00000E+00 volume  3.27189E+07 ppm1      0.865 ppm2      1.578
 ASSI { 1611}   (  segid    A and resid 11   and name  HD2#)   (( segid    A and resid 11   and name  HA  ))      3.984     2.264     0.797 peak  1611 weight  1.00000E+00 volume  4.44394E+07 ppm1      0.615 ppm2      4.205
 ASSI { 1612}   (  segid    A and resid 11   and name  HD2#)   (  segid    A and resid 11   and name  HB# )      4.552     2.832     0.910 peak  1612 weight  1.00000E+00 volume  3.99557E+07 ppm1      0.615 ppm2      1.357
 ASSI { 1614}   (  segid    A and resid 11   and name  HD2#)   (( segid    A and resid 11   and name  HG  ))      3.757     2.037     0.751 peak  1614 weight  1.00000E+00 volume  6.32038E+07 ppm1      0.614 ppm2      0.702
 ASSI { 1615}   (( segid    A and resid 55   and name  HG2 ))   (( segid    A and resid 56   and name  HN  ))      4.001     2.281     0.800 peak  1615 weight  1.00000E+00 volume  3.17972E+06 ppm1      0.578 ppm2      9.232
 ASSI { 1617}   (( segid    A and resid 55   and name  HG2 ))   (( segid    A and resid 55   and name  HN  ))      4.056     2.336     0.811 peak  1617 weight  1.00000E+00 volume  1.68364E+06 ppm1      0.576 ppm2      8.798
 ASSI { 1622}   (  segid    A and resid 41   and name  HG1#)   (( segid    A and resid 42   and name  HN  ))      4.652     2.932     0.930 peak  1622 weight  1.00000E+00 volume  9.40241E+06 ppm1      0.608 ppm2      9.103
 ASSI { 1623}   (  segid    A and resid 41   and name  HG1#)   (( segid    A and resid 41   and name  HN  ))      4.569     2.849     0.914 peak  1623 weight  1.00000E+00 volume  8.65588E+06 ppm1      0.612 ppm2      8.516
 ASSI { 1624}   (  segid    A and resid 41   and name  HG1#)   (( segid    A and resid 57   and name  HN  ))      5.090     3.370     1.018 peak  1624 weight  1.00000E+00 volume  4.99708E+06 ppm1      0.610 ppm2      7.720
 ASSI { 1626}   (  segid    A and resid 41   and name  HG1#)   (( segid    A and resid 32   and name  HB  ))      4.407     2.687     0.881 peak  1626 weight  1.00000E+00 volume  2.42481E+07 ppm1      0.609 ppm2      4.001
 ASSI { 1628}   (  segid    A and resid 41   and name  HG1#)   (  segid    A and resid 54   and name  HB# )      5.169     3.449     1.034 peak  1628 weight  1.00000E+00 volume  1.86330E+07 ppm1      0.610 ppm2      2.696
 ASSI { 1631}   (  segid    A and resid 38   and name  HG2#)   (( segid    A and resid 38   and name  HN  ))      4.523     2.803     0.905 peak  1631 weight  1.00000E+00 volume  1.06289E+07 ppm1      1.051 ppm2      8.916
 ASSI { 1632}   (  segid    A and resid 38   and name  HG2#)   (( segid    A and resid 39   and name  HN  ))      5.454     3.734     1.091 peak  1632 weight  1.00000E+00 volume  3.71039E+06 ppm1      1.052 ppm2      7.986
 ASSI { 1639}   (  segid    A and resid 38   and name  HG2#)   (( segid    A and resid 57   and name  HN  ))      5.383     3.663     1.077 peak  1639 weight  1.00000E+00 volume  5.35287E+06 ppm1      1.047 ppm2      7.737
 ASSI { 1642}   (  segid    A and resid 45   and name  HG2#)   (( segid    A and resid 46   and name  HN  ))      4.232     2.512     0.846 peak  1642 weight  1.00000E+00 volume  1.66763E+07 ppm1      0.981 ppm2      9.250
 ASSI { 1643}   (  segid    A and resid 45   and name  HG2#)   (( segid    A and resid 50   and name  HN  ))      5.139     3.419     1.028 peak  1643 weight  1.00000E+00 volume  7.48013E+06 ppm1      0.983 ppm2      7.590
 ASSI { 1648}   (  segid    A and resid 17   and name  HG2#)   (  segid    A and resid 17   and name  HG1#)      4.044     2.324     0.809 peak  1648 weight  1.00000E+00 volume  9.80004E+07 ppm1      0.981 ppm2      0.788
 ASSI { 1649}   (  segid    A and resid 17   and name  HG2#)   (( segid    A and resid 17   and name  HN  ))      3.831     2.111     0.766 peak  1649 weight  1.00000E+00 volume  3.33396E+07 ppm1      0.979 ppm2      8.767
 ASSI { 1652}   (  segid    A and resid 31   and name  HG2#)   (( segid    A and resid 31   and name  HN  ))      4.219     2.499     0.844 peak  1652 weight  1.00000E+00 volume  2.13067E+07 ppm1      0.966 ppm2      7.167
 ASSI { 1657}   (  segid    A and resid 12   and name  HG1#)   (  segid    A and resid 11   and name  HB# )      4.484     2.764     0.897 peak  1657 weight  1.00000E+00 volume  4.37409E+07 ppm1      0.823 ppm2      1.361
 ASSI { 1658}   (  segid    A and resid 17   and name  HG1#)   (( segid    A and resid 18   and name  HN  ))      4.364     2.644     0.873 peak  1658 weight  1.00000E+00 volume  2.28178E+07 ppm1      0.805 ppm2      9.103
 ASSI { 1659}   (  segid    A and resid 17   and name  HG1#)   (( segid    A and resid 20   and name  HN  ))      4.970     3.250     0.994 peak  1659 weight  1.00000E+00 volume  1.07046E+07 ppm1      0.807 ppm2      8.551
 ASSI { 1660}   (  segid    A and resid 17   and name  HG1#)   (( segid    A and resid 19   and name  HN  ))      4.010     2.290     0.802 peak  1660 weight  1.00000E+00 volume  2.72891E+07 ppm1      0.807 ppm2      7.866
 ASSI { 1663}   (  segid    A and resid 17   and name  HG1#)   (( segid    A and resid 44   and name  HA  ))      5.033     3.313     1.007 peak  1663 weight  1.00000E+00 volume  4.35862E+06 ppm1      0.794 ppm2      5.151
 ASSI { 1664}   (  segid    A and resid 17   and name  HG2#)   (  segid    A and resid 44   and name  HG2#)      5.211     3.491     1.042 peak  1664 weight  1.00000E+00 volume  2.66184E+07 ppm1      0.983 ppm2      0.671
 ASSI { 1666}   (  segid    A and resid 31   and name  HG2#)   (( segid    A and resid 30   and name  HN  ))      4.777     3.057     0.955 peak  1666 weight  1.00000E+00 volume  1.49484E+07 ppm1      0.963 ppm2      7.316
 ASSI { 1670}   (  segid    A and resid 16   and name  HG1#)   (( segid    A and resid 17   and name  HN  ))      4.984     3.264     0.997 peak  1670 weight  1.00000E+00 volume  1.15978E+07 ppm1      0.869 ppm2      8.765
 ASSI { 1671}   (  segid    A and resid 16   and name  HG1#)   (( segid    A and resid 16   and name  HN  ))      5.380     3.660     1.076 peak  1671 weight  1.00000E+00 volume  7.32728E+06 ppm1      0.868 ppm2      8.451
 ASSI { 1672}   (  segid    A and resid 16   and name  HG1#)   (( segid    A and resid 45   and name  HB  ))      4.168     2.448     0.834 peak  1672 weight  1.00000E+00 volume  6.14018E+06 ppm1      0.869 ppm2      3.677
 ASSI { 1673}   (  segid    A and resid 16   and name  HG1#)   (( segid    A and resid 16   and name  HB  ))      3.829     2.109     0.766 peak  1673 weight  1.00000E+00 volume  5.09533E+07 ppm1      0.865 ppm2      2.013
 ASSI { 1675}   (  segid    A and resid 16   and name  HG1#)   (( segid    A and resid 16   and name  HA  ))      4.038     2.318     0.808 peak  1675 weight  1.00000E+00 volume  2.76077E+07 ppm1      0.863 ppm2      4.494
 ASSI { 1676}   (  segid    A and resid 32   and name  HG2#)   (( segid    A and resid 32   and name  HN  ))      4.752     3.032     0.950 peak  1676 weight  1.00000E+00 volume  8.30790E+06 ppm1      0.818 ppm2      7.546
 ASSI { 1678}   (  segid    A and resid 32   and name  HG2#)   (( segid    A and resid 34   and name  HN  ))      4.312     2.592     0.862 peak  1678 weight  1.00000E+00 volume  1.71100E+07 ppm1      0.819 ppm2      9.516
 ASSI { 1679}   (  segid    A and resid 32   and name  HG2#)   (  segid    A and resid 54   and name  HD# )      5.069     3.349     1.014 peak  1679 weight  1.00000E+00 volume  2.09395E+07 ppm1      0.817 ppm2      7.180
 ASSI { 1682}   (  segid    A and resid 32   and name  HG2#)   (  segid    A and resid 54   and name  HB# )      4.703     2.983     0.941 peak  1682 weight  1.00000E+00 volume  3.28248E+07 ppm1      0.819 ppm2      2.685
 ASSI { 1684}   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 55   and name  HD1 ))      4.884     3.164     0.977 peak  1684 weight  1.00000E+00 volume  6.21802E+06 ppm1      0.682 ppm2     -0.400
 ASSI { 1685}   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 44   and name  HN  ))      4.134     2.414     0.827 peak  1685 weight  1.00000E+00 volume  1.00700E+07 ppm1      0.679 ppm2      9.276
 ASSI { 1686}   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 45   and name  HN  ))      4.872     3.152     0.974 peak  1686 weight  1.00000E+00 volume  1.32869E+07 ppm1      0.678 ppm2      9.010
 ASSI { 1687}   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 16   and name  HN  ))      5.401     3.681     1.080 peak  1687 weight  1.00000E+00 volume  4.27893E+06 ppm1      0.679 ppm2      8.467
 ASSI { 1692}   (  segid    A and resid 44   and name  HG2#)   (  segid    A and resid 15   and name  HB# )      5.153     3.433     1.031 peak  1692 weight  1.00000E+00 volume  1.89737E+07 ppm1      0.678 ppm2      2.889
 ASSI { 1695}   (  segid    A and resid 18   and name  HB# )   (( segid    A and resid 18   and name  HN  ))      3.870     2.150     0.774 peak  1695 weight  1.00000E+00 volume  3.24125E+07 ppm1      1.226 ppm2      9.121
 ASSI { 1696}   (  segid    A and resid 18   and name  HB# )   (( segid    A and resid 43   and name  HN  ))      5.681     3.961     1.136 peak  1696 weight  1.00000E+00 volume  4.64133E+06 ppm1      1.227 ppm2      8.542
 ASSI { 1698}   (  segid    A and resid 18   and name  HB# )   (( segid    A and resid 19   and name  HA  ))      5.567     3.847     1.113 peak  1698 weight  1.00000E+00 volume  4.50793E+06 ppm1      1.226 ppm2      4.538
 ASSI { 1700}   (  segid    A and resid 18   and name  HB# )   (( segid    A and resid 43   and name  HG2 ))      4.581     2.861     0.916 peak  1700 weight  1.00000E+00 volume  1.92259E+07 ppm1      1.227 ppm2      0.897
 ASSI { 1701}   (  segid    A and resid 18   and name  HB# )   (( segid    A and resid 43   and name  HG1 ))      5.106     3.386     1.021 peak  1701 weight  1.00000E+00 volume  1.00205E+07 ppm1      1.229 ppm2      0.599
 ASSI { 1702}   (  segid    A and resid 18   and name  HB# )   (( segid    A and resid 44   and name  HN  ))      5.655     3.935     1.131 peak  1702 weight  1.00000E+00 volume  3.11895E+06 ppm1      1.221 ppm2      9.295
 ASSI { 1703}   (  segid    A and resid 18   and name  HB# )   (( segid    A and resid 19   and name  HN  ))      3.942     2.222     0.788 peak  1703 weight  1.00000E+00 volume  2.54125E+07 ppm1      1.225 ppm2      7.859
 ASSI { 1707}   (  segid    A and resid 41   and name  HG2#)   (( segid    A and resid 54   and name  HA  ))      5.423     3.703     1.085 peak  1707 weight  1.00000E+00 volume  4.60811E+06 ppm1      0.708 ppm2      5.399
 ASSI { 1709}   (  segid    A and resid 41   and name  HG2#)   (  segid    A and resid 28   and name  HG# )      5.960     4.240     1.040 peak  1709 weight  1.00000E+00 volume  7.92727E+06 ppm1      0.710 ppm2      1.463
 ASSI { 1711}   (  segid    A and resid 41   and name  HG2#)   (( segid    A and resid 42   and name  HN  ))      4.420     2.700     0.884 peak  1711 weight  1.00000E+00 volume  1.23774E+07 ppm1      0.707 ppm2      9.099
 ASSI { 1712}   (  segid    A and resid 41   and name  HG2#)   (( segid    A and resid 41   and name  HN  ))      3.967     2.247     0.793 peak  1712 weight  1.00000E+00 volume  1.85948E+07 ppm1      0.708 ppm2      8.509
 ASSI { 1714}   (  segid    A and resid 41   and name  HG2#)   (( segid    A and resid 41   and name  HA  ))      4.563     2.843     0.913 peak  1714 weight  1.00000E+00 volume  1.96797E+07 ppm1      0.708 ppm2      5.138
 ASSI { 1715}   (  segid    A and resid 41   and name  HG2#)   (  segid    A and resid 22   and name  HB# )      6.233     4.513     0.767 peak  1715 weight  1.00000E+00 volume  6.06112E+06 ppm1      0.708 ppm2      3.979
 ASSI { 1716}   (  segid    A and resid 41   and name  HG2#)   (( segid    A and resid 28   and name  HD1 ))      4.804     3.084     0.961 peak  1716 weight  1.00000E+00 volume  8.06528E+06 ppm1      0.703 ppm2      2.887
 ASSI { 1718}   (  segid    A and resid 41   and name  HG2#)   (( segid    A and resid 41   and name  HB  ))      4.007     2.287     0.801 peak  1718 weight  1.00000E+00 volume  4.29378E+07 ppm1      0.708 ppm2      2.024
 ASSI { 1719}   (  segid    A and resid 12   and name  HG2#)   (( segid    A and resid 13   and name  HN  ))      4.411     2.691     0.882 peak  1719 weight  1.00000E+00 volume  1.50771E+07 ppm1      0.937 ppm2      8.189
 ASSI { 1720}   (  segid    A and resid 12   and name  HG2#)   (( segid    A and resid 12   and name  HN  ))      3.836     2.116     0.767 peak  1720 weight  1.00000E+00 volume  3.64314E+07 ppm1      0.936 ppm2      7.319
 ASSI { 1721}   (  segid    A and resid 12   and name  HG2#)   (( segid    A and resid 11   and name  HN  ))      5.015     3.295     1.003 peak  1721 weight  1.00000E+00 volume  6.39394E+06 ppm1      0.938 ppm2      6.995
 ASSI { 1722}   (  segid    A and resid 12   and name  HG2#)   (( segid    A and resid 12   and name  HA  ))      4.556     2.836     0.911 peak  1722 weight  1.00000E+00 volume  1.60983E+07 ppm1      0.935 ppm2      4.519
 ASSI { 1725}   (  segid    A and resid 12   and name  HG2#)   (( segid    A and resid 12   and name  HB  ))      3.855     2.135     0.771 peak  1725 weight  1.00000E+00 volume  5.41405E+07 ppm1      0.937 ppm2      2.316
 ASSI { 1727}   (  segid    A and resid 16   and name  HG2#)   (( segid    A and resid 17   and name  HN  ))      4.116     2.396     0.823 peak  1727 weight  1.00000E+00 volume  8.42338E+06 ppm1      0.833 ppm2      8.755
 ASSI { 1728}   (  segid    A and resid 16   and name  HG2#)   (( segid    A and resid 16   and name  HN  ))      3.880     2.160     0.776 peak  1728 weight  1.00000E+00 volume  1.97498E+07 ppm1      0.834 ppm2      8.449
 ASSI { 1729}   (  segid    A and resid 16   and name  HG2#)   (( segid    A and resid 45   and name  HA  ))      6.310     4.590     0.690 peak  1729 weight  1.00000E+00 volume  2.81366E+06 ppm1      0.833 ppm2      5.130
 ASSI { 1737}   (  segid    A and resid 60   and name  HB# )   (( segid    A and resid 60   and name  HN  ))      3.802     2.082     0.760 peak  1737 weight  1.00000E+00 volume  2.21650E+07 ppm1      1.356 ppm2      8.000
 ASSI { 1741}   (  segid    A and resid 16   and name  HG2#)   (  segid    A and resid 18   and name  HB# )      5.572     3.852     1.114 peak  1741 weight  1.00000E+00 volume  1.41273E+07 ppm1      0.837 ppm2      1.232
 ASSI { 1742}   (  segid    A and resid 29   and name  HB# )   (( segid    A and resid 29   and name  HN  ))      3.548     1.828     0.710 peak  1742 weight  1.00000E+00 volume  3.49060E+07 ppm1      1.351 ppm2      8.688
 ASSI { 1743}   (  segid    A and resid 29   and name  HB# )   (( segid    A and resid 28   and name  HN  ))      5.569     3.849     1.114 peak  1743 weight  1.00000E+00 volume  4.01092E+06 ppm1      1.355 ppm2      7.896
 ASSI { 1744}   (  segid    A and resid 29   and name  HB# )   (( segid    A and resid 30   and name  HN  ))      4.113     2.393     0.823 peak  1744 weight  1.00000E+00 volume  1.55308E+07 ppm1      1.350 ppm2      7.311
 ASSI { 1749}   (  segid    A and resid 29   and name  HB# )   (( segid    A and resid 35   and name  HB2 ))      4.926     3.206     0.985 peak  1749 weight  1.00000E+00 volume  1.01868E+07 ppm1      1.354 ppm2      3.027
 ASSI { 1752}   (  segid    A and resid 29   and name  HB# )   (( segid    A and resid 31   and name  HN  ))      5.989     4.269     1.011 peak  1752 weight  1.00000E+00 volume  2.17351E+06 ppm1      1.343 ppm2      7.148
 ASSI { 1754}   (  segid    A and resid 44   and name  HD1#)   (( segid    A and resid 44   and name  HN  ))      5.189     3.469     1.038 peak  1754 weight  1.00000E+00 volume  9.10052E+06 ppm1      0.596 ppm2      9.275
 ASSI { 1757}   (  segid    A and resid 44   and name  HD1#)   (( segid    A and resid 17   and name  HA  ))      5.479     3.759     1.096 peak  1757 weight  1.00000E+00 volume  6.56447E+06 ppm1      0.597 ppm2      4.070
 ASSI { 1758}   (  segid    A and resid 44   and name  HD1#)   (( segid    A and resid 45   and name  HN  ))      5.091     3.371     1.018 peak  1758 weight  1.00000E+00 volume  5.89744E+06 ppm1      0.602 ppm2      9.024
 ASSI { 1759}   (  segid    A and resid 44   and name  HD1#)   (( segid    A and resid 53   and name  HN  ))      4.590     2.870     0.918 peak  1759 weight  1.00000E+00 volume  7.40124E+06 ppm1      0.600 ppm2      8.676
 ASSI { 1760}   (  segid    A and resid 44   and name  HD1#)   (  segid    A and resid 15   and name  HE# )      6.367     4.647     0.633 peak  1760 weight  1.00000E+00 volume  5.33589E+06 ppm1      0.601 ppm2      7.386
 ASSI { 1764}   (  segid    A and resid 44   and name  HD1#)   (( segid    A and resid 55   and name  HD1 ))      4.711     2.991     0.942 peak  1764 weight  1.00000E+00 volume  6.87482E+06 ppm1      0.599 ppm2     -0.397
 ASSI { 1766}   (  segid    A and resid 44   and name  HD1#)   (  segid    A and resid 15   and name  HD# )      5.350     3.630     1.070 peak  1766 weight  1.00000E+00 volume  1.51459E+07 ppm1      0.599 ppm2      7.203
 ASSI { 1768}   (  segid    A and resid 44   and name  HD1#)   (( segid    A and resid 44   and name  HA  ))      4.322     2.602     0.864 peak  1768 weight  1.00000E+00 volume  1.22986E+07 ppm1      0.599 ppm2      5.142
 ASSI { 1770}   (  segid    A and resid 44   and name  HD1#)   (( segid    A and resid 44   and name  HB  ))      4.092     2.372     0.818 peak  1770 weight  1.00000E+00 volume  2.29865E+07 ppm1      0.599 ppm2      1.905
 ASSI { 1771}   (( segid    A and resid 14   and name  HG1 ))   (( segid    A and resid 14   and name  HN  ))      3.400     1.680     0.680 peak  1771 weight  1.00000E+00 volume  2.16552E+07 ppm1      2.395 ppm2      8.193
 ASSI { 1772}   (( segid    A and resid 13   and name  HG1 ))   (( segid    A and resid 48   and name  HN  ))      5.122     3.402     1.024 peak  1772 weight  1.00000E+00 volume  2.44199E+06 ppm1      2.500 ppm2      8.908
 ASSI { 1773}   (( segid    A and resid 44   and name  HG12))   (( segid    A and resid 52   and name  HA  ))      5.274     3.554     1.055 peak  1773 weight  1.00000E+00 volume  1.24832E+06 ppm1      1.108 ppm2      5.879
 ASSI { 1774}   (( segid    A and resid 44   and name  HG12))   (( segid    A and resid 54   and name  HA  ))      6.099     4.379     0.901 peak  1774 weight  1.00000E+00 volume  1.15058E+06 ppm1      1.115 ppm2      5.378
 ASSI { 1776}   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 19   and name  HN  ))      6.002     4.282     0.998 peak  1776 weight  1.00000E+00 volume  2.07368E+06 ppm1      0.681 ppm2      7.849
 ASSI { 1779}   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 15   and name  HA  ))      5.566     3.846     1.113 peak  1779 weight  1.00000E+00 volume  2.94659E+06 ppm1      0.683 ppm2      5.579
 ASSI { 1781}   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 54   and name  HA  ))      5.197     3.477     1.039 peak  1781 weight  1.00000E+00 volume  2.02644E+06 ppm1      0.681 ppm2      5.405
 ASSI { 1782}   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 43   and name  HA  ))      5.699     3.979     1.140 peak  1782 weight  1.00000E+00 volume  5.18816E+06 ppm1      0.678 ppm2      4.812
 ASSI { 1785}   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 53   and name  HB1 ))      5.773     4.053     1.155 peak  1785 weight  1.00000E+00 volume  4.79897E+06 ppm1      0.683 ppm2      1.613
 ASSI { 1787}   (( segid    A and resid 11   and name  HG  ))   (( segid    A and resid 10   and name  HE1 ))      4.925     3.205     0.985 peak  1787 weight  1.00000E+00 volume  1.50469E+06 ppm1      0.697 ppm2     10.676
 ASSI { 1788}   (  segid    A and resid 44   and name  HD1#)   (( segid    A and resid 10   and name  HE1 ))      4.977     3.257     0.995 peak  1788 weight  1.00000E+00 volume  2.67467E+06 ppm1      0.601 ppm2     10.683
 ASSI { 1792}   (  segid    A and resid 44   and name  HD1#)   (( segid    A and resid 44   and name  HG12))      4.155     2.435     0.831 peak  1792 weight  1.00000E+00 volume  3.19103E+07 ppm1      0.600 ppm2      1.096
 ASSI { 1793}   (( segid    A and resid 44   and name  HG11))   (( segid    A and resid 53   and name  HB1 ))      3.978     2.258     0.796 peak  1793 weight  1.00000E+00 volume  5.43689E+06 ppm1      0.667 ppm2      1.603
 ASSI { 1794}   (( segid    A and resid 38   and name  HA  ))   (( segid    A and resid 38   and name  HG1 ))      4.693     2.973     0.939 peak  1794 weight  1.00000E+00 volume  5.54557E+06 ppm1      4.857 ppm2      5.790
 ASSI { 1795}   (( segid    A and resid 40   and name  HB1 ))   (( segid    A and resid 38   and name  HG1 ))      4.374     2.654     0.875 peak  1795 weight  1.00000E+00 volume  8.45410E+06 ppm1      2.910 ppm2      5.788
 ASSI { 1796}   (( segid    A and resid 40   and name  HB2 ))   (( segid    A and resid 38   and name  HG1 ))      4.791     3.071     0.958 peak  1796 weight  1.00000E+00 volume  4.89758E+06 ppm1      2.703 ppm2      5.781
 ASSI { 1797}   (  segid    A and resid 38   and name  HG2#)   (( segid    A and resid 38   and name  HG1 ))      4.485     2.765     0.897 peak  1797 weight  1.00000E+00 volume  2.18367E+07 ppm1      1.050 ppm2      5.792
 ASSI { 1798}   (( segid    A and resid 38   and name  HB  ))   (( segid    A and resid 38   and name  HG1 ))      4.006     2.286     0.801 peak  1798 weight  1.00000E+00 volume  1.43266E+07 ppm1      4.635 ppm2      5.790
 ASSI { 1799}   (( segid    A and resid 56   and name  HA  ))   (( segid    A and resid 38   and name  HG1 ))      5.289     3.569     1.058 peak  1799 weight  1.00000E+00 volume  2.70526E+06 ppm1      4.565 ppm2      5.800
 ASSI { 1811}   (( segid    A and resid 6    and name  HB2 ))   (( segid    A and resid 6    and name  HG1 ))      4.001     2.281     0.800 peak  1811 weight  1.00000E+00 volume  1.44371E+07 ppm1      1.787 ppm2      2.157
 ASSI { 1819}   (( segid    A and resid 8    and name  HB1 ))   (( segid    A and resid 10   and name  HE1 ))      4.319     2.599     0.864 peak  1819 weight  1.00000E+00 volume  4.89934E+06 ppm1      0.398 ppm2     10.670
 ASSI { 1820}   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 10   and name  HE1 ))      5.401     3.681     1.080 peak  1820 weight  1.00000E+00 volume  2.24386E+06 ppm1      4.377 ppm2     10.665
 ASSI { 1821}   (( segid    A and resid 8    and name  HB2 ))   (( segid    A and resid 10   and name  HE1 ))      3.912     2.192     0.782 peak  1821 weight  1.00000E+00 volume  5.51897E+06 ppm1      1.723 ppm2     10.669
 ASSI { 1824}   (( segid    A and resid 8    and name  HD1 ))   (( segid    A and resid 11   and name  HA  ))      5.347     3.627     1.069 peak  1824 weight  1.00000E+00 volume  2.53465E+06 ppm1      3.229 ppm2      4.203
 ASSI { 1825}   (( segid    A and resid 8    and name  HG2 ))   (( segid    A and resid 10   and name  HE1 ))      4.302     2.582     0.860 peak  1825 weight  1.00000E+00 volume  2.41502E+06 ppm1      1.759 ppm2     10.669
 ASSI { 1826}   (( segid    A and resid 8    and name  HG1 ))   (( segid    A and resid 10   and name  HE1 ))      4.870     3.150     0.974 peak  1826 weight  1.00000E+00 volume  1.73456E+06 ppm1      1.403 ppm2     10.675
 ASSI { 1829}   (( segid    A and resid 9    and name  HA  ))   (( segid    A and resid 13   and name  HG1 ))      4.909     3.189     0.982 peak  1829 weight  1.00000E+00 volume  3.30392E+06 ppm1      4.261 ppm2      2.505
 ASSI { 1835}   (( segid    A and resid 9    and name  HB1 ))   (( segid    A and resid 13   and name  HB1 ))      5.164     3.444     1.033 peak  1835 weight  1.00000E+00 volume  3.12448E+06 ppm1      3.648 ppm2      2.105
 ASSI { 1836}   (( segid    A and resid 9    and name  HB2 ))   (( segid    A and resid 13   and name  HB1 ))      5.169     3.449     1.034 peak  1836 weight  1.00000E+00 volume  3.10610E+06 ppm1      3.108 ppm2      2.102
 ASSI { 1846}   (( segid    A and resid 10   and name  HA  ))   (  segid    A and resid 12   and name  HG1#)      6.469     4.749     0.531 peak  1846 weight  1.00000E+00 volume  2.42463E+06 ppm1      4.515 ppm2      0.846
 ASSI { 1853}   (( segid    A and resid 10   and name  HB2 ))   (( segid    A and resid 55   and name  HE2 ))      5.833     4.113     1.167 peak  1853 weight  1.00000E+00 volume  4.06054E+05 ppm1      2.882 ppm2      1.596
 ASSI { 1857}   (( segid    A and resid 11   and name  HB2 ))   (( segid    A and resid 8    and name  HB1 ))      5.380     3.660     1.076 peak  1857 weight  1.00000E+00 volume  2.44340E+06 ppm1      1.371 ppm2      0.395
 ASSI { 1859}   (( segid    A and resid 11   and name  HG  ))   (( segid    A and resid 8    and name  HB2 ))      4.923     3.203     0.985 peak  1859 weight  1.00000E+00 volume  4.16235E+06 ppm1      0.701 ppm2      1.723
 ASSI { 1869}   (  segid    A and resid 12   and name  HG2#)   (  segid    A and resid 11   and name  HB# )      5.138     3.418     1.028 peak  1869 weight  1.00000E+00 volume  1.93026E+07 ppm1      0.937 ppm2      1.360
 ASSI { 1870}   (  segid    A and resid 12   and name  HG2#)   (( segid    A and resid 7    and name  HB1 ))      5.929     4.209     1.071 peak  1870 weight  1.00000E+00 volume  4.08920E+06 ppm1      0.939 ppm2      2.917
 ASSI { 1872}   (  segid    A and resid 12   and name  HG1#)   (( segid    A and resid 7    and name  HB1 ))      4.983     3.263     0.997 peak  1872 weight  1.00000E+00 volume  1.15986E+07 ppm1      0.826 ppm2      2.912
 ASSI { 1873}   (  segid    A and resid 12   and name  HG1#)   (( segid    A and resid 12   and name  HN  ))      4.653     2.933     0.931 peak  1873 weight  1.00000E+00 volume  1.66156E+07 ppm1      0.826 ppm2      7.314
 ASSI { 1875}   (( segid    A and resid 13   and name  HB2 ))   (( segid    A and resid 13   and name  HG2 ))      3.662     1.942     0.732 peak  1875 weight  1.00000E+00 volume  1.95409E+07 ppm1      2.632 ppm2      2.380
 ASSI { 1876}   (( segid    A and resid 13   and name  HB2 ))   (( segid    A and resid 14   and name  HB1 ))      5.389     3.669     1.078 peak  1876 weight  1.00000E+00 volume  2.41719E+06 ppm1      2.635 ppm2      1.911
 ASSI { 1878}   (( segid    A and resid 10   and name  HA  ))   (( segid    A and resid 13   and name  HB2 ))      5.187     3.467     1.037 peak  1878 weight  1.00000E+00 volume  3.03989E+06 ppm1      4.518 ppm2      2.615
 ASSI { 1879}   (( segid    A and resid 10   and name  HA  ))   (  segid    A and resid 53   and name  HG# )      5.597     3.877     1.119 peak  1879 weight  1.00000E+00 volume  3.85218E+06 ppm1      4.513 ppm2      2.347
 ASSI { 1880}   (( segid    A and resid 13   and name  HB2 ))   (( segid    A and resid 12   and name  HN  ))      5.835     4.115     1.165 peak  1880 weight  1.00000E+00 volume  1.50124E+06 ppm1      2.629 ppm2      7.322
 ASSI { 1889}   (( segid    A and resid 14   and name  HG2 ))   (( segid    A and resid 14   and name  HB2 ))      3.304     1.584     0.661 peak  1889 weight  1.00000E+00 volume  3.73847E+07 ppm1      2.293 ppm2      2.073
 ASSI { 1890}   (( segid    A and resid 14   and name  HG1 ))   (( segid    A and resid 14   and name  HB2 ))      3.132     1.412     0.626 peak  1890 weight  1.00000E+00 volume  6.27464E+07 ppm1      2.397 ppm2      2.072
 ASSI { 1891}   (( segid    A and resid 14   and name  HG2 ))   (( segid    A and resid 14   and name  HG1 ))      2.458     0.738     0.492 peak  1891 weight  1.00000E+00 volume  1.66957E+08 ppm1      2.290 ppm2      2.396
 ASSI { 1895}   (( segid    A and resid 15   and name  HA  ))   (( segid    A and resid 45   and name  HA  ))      5.645     3.925     1.129 peak  1895 weight  1.00000E+00 volume  1.83088E+06 ppm1      5.584 ppm2      5.094
 ASSI { 1903}   (( segid    A and resid 16   and name  HA  ))   (  segid    A and resid 17   and name  HG2#)      4.773     3.053     0.955 peak  1903 weight  1.00000E+00 volume  1.19373E+07 ppm1      4.505 ppm2      0.986
 ASSI { 1906}   (( segid    A and resid 16   and name  HB  ))   (( segid    A and resid 44   and name  HA  ))      4.635     2.915     0.927 peak  1906 weight  1.00000E+00 volume  5.78735E+05 ppm1      2.028 ppm2      5.150
 ASSI { 1907}   (( segid    A and resid 16   and name  HB  ))   (( segid    A and resid 17   and name  HA  ))      5.669     3.949     1.134 peak  1907 weight  1.00000E+00 volume  1.78423E+06 ppm1      2.025 ppm2      4.071
 ASSI { 1910}   (  segid    A and resid 16   and name  HG2#)   (( segid    A and resid 45   and name  HN  ))      4.659     2.939     0.932 peak  1910 weight  1.00000E+00 volume  8.55728E+06 ppm1      0.834 ppm2      9.007
 ASSI { 1911}   (( segid    A and resid 17   and name  HA  ))   (( segid    A and resid 45   and name  HN  ))      4.140     2.420     0.828 peak  1911 weight  1.00000E+00 volume  9.28026E+06 ppm1      4.068 ppm2      8.996
 ASSI { 1920}   (  segid    A and resid 17   and name  HG1#)   (( segid    A and resid 17   and name  HN  ))      4.221     2.501     0.844 peak  1920 weight  1.00000E+00 volume  8.91845E+06 ppm1      0.802 ppm2      8.777
 ASSI { 1924}   (  segid    A and resid 18   and name  HB# )   (( segid    A and resid 43   and name  HE1 ))      5.074     3.354     1.015 peak  1924 weight  1.00000E+00 volume  1.04128E+07 ppm1      1.227 ppm2      2.443
 ASSI { 1926}   (  segid    A and resid 18   and name  HB# )   (( segid    A and resid 19   and name  HB2 ))      5.043     3.323     1.009 peak  1926 weight  1.00000E+00 volume  1.07960E+07 ppm1      1.229 ppm2      1.897
 ASSI { 1927}   (  segid    A and resid 18   and name  HB# )   (( segid    A and resid 43   and name  HB2 ))      4.498     2.778     0.900 peak  1927 weight  1.00000E+00 volume  2.14498E+07 ppm1      1.225 ppm2      1.588
 ASSI { 1930}   (  segid    A and resid 18   and name  HB# )   (( segid    A and resid 43   and name  HA  ))      6.131     4.411     0.869 peak  1930 weight  1.00000E+00 volume  3.08037E+06 ppm1      1.226 ppm2      4.822
 ASSI { 1938}   (( segid    A and resid 19   and name  HB1 ))   (( segid    A and resid 19   and name  HB2 ))      2.977     1.257     0.595 peak  1938 weight  1.00000E+00 volume  8.50941E+07 ppm1      2.092 ppm2      1.898
 ASSI { 1942}   (( segid    A and resid 20   and name  HA  ))   (( segid    A and resid 19   and name  HA  ))      4.497     2.777     0.899 peak  1942 weight  1.00000E+00 volume  7.15747E+06 ppm1      4.125 ppm2      4.572
 ASSI { 1943}   (( segid    A and resid 20   and name  HA  ))   (( segid    A and resid 42   and name  HA  ))      5.311     3.591     1.062 peak  1943 weight  1.00000E+00 volume  2.63819E+06 ppm1      4.125 ppm2      4.751
 ASSI { 1944}   (( segid    A and resid 20   and name  HB1 ))   (( segid    A and resid 19   and name  HA  ))      4.595     2.875     1.105 peak  1944 weight  1.00000E+00 volume  6.28793E+06 ppm1      2.015 ppm2      4.558
 ASSI { 1947}   (( segid    A and resid 20   and name  HB1 ))   (( segid    A and resid 20   and name  HB2 ))      2.392     0.672     0.478 peak  1947 weight  1.00000E+00 volume  3.16423E+08 ppm1      2.015 ppm2      2.089
 ASSI { 1949}   (( segid    A and resid 20   and name  HB1 ))   (( segid    A and resid 20   and name  HG2 ))      3.250     1.530     0.650 peak  1949 weight  1.00000E+00 volume  4.19288E+07 ppm1      2.015 ppm2      2.292
 ASSI { 1957}   (( segid    A and resid 20   and name  HG2 ))   (  segid    A and resid 17   and name  HG1#)      4.653     2.933     0.931 peak  1957 weight  1.00000E+00 volume  7.26904E+06 ppm1      2.295 ppm2      0.799
 ASSI { 1963}   (( segid    A and resid 57   and name  HB1 ))   (( segid    A and resid 21   and name  HA  ))      5.542     3.822     1.108 peak  1963 weight  1.00000E+00 volume  2.04476E+06 ppm1      3.248 ppm2      4.375
 ASSI { 1966}   (( segid    A and resid 57   and name  HB2 ))   (( segid    A and resid 42   and name  HB1 ))      5.488     3.768     1.098 peak  1966 weight  1.00000E+00 volume  2.16787E+06 ppm1      3.123 ppm2      1.869
 ASSI { 1978}   (( segid    A and resid 22   and name  HA  ))   (( segid    A and resid 40   and name  HB2 ))      4.504     2.784     0.901 peak  1978 weight  1.00000E+00 volume  7.08999E+06 ppm1      5.140 ppm2      2.692
 ASSI { 1979}   (( segid    A and resid 22   and name  HA  ))   (  segid    A and resid 23   and name  HB# )      4.726     3.006     0.945 peak  1979 weight  1.00000E+00 volume  6.02261E+06 ppm1      5.141 ppm2      1.549
 ASSI { 1986}   (( segid    A and resid 23   and name  HA  ))   (  segid    A and resid 41   and name  HG2#)      6.350     4.630     0.650 peak  1986 weight  1.00000E+00 volume  1.90640E+06 ppm1      3.787 ppm2      0.696
 ASSI { 1988}   (( segid    A and resid 23   and name  HA  ))   (  segid    A and resid 22   and name  HB# )      3.961     2.241     0.792 peak  1988 weight  1.00000E+00 volume  6.82230E+06 ppm1      3.783 ppm2      3.960
 ASSI { 1993}   (( segid    A and resid 23   and name  HD1 ))   (( segid    A and resid 24   and name  HN  ))      5.769     4.049     1.154 peak  1993 weight  1.00000E+00 volume  1.60694E+06 ppm1      3.777 ppm2      8.753
 ASSI { 1999}   (( segid    A and resid 24   and name  HA  ))   (( segid    A and resid 41   and name  HN  ))      4.919     3.199     0.984 peak  1999 weight  1.00000E+00 volume  4.18068E+06 ppm1      4.406 ppm2      8.498
 ASSI { 2001}   (( segid    A and resid 24   and name  HB1 ))   (( segid    A and resid 28   and name  HB1 ))      4.303     2.583     0.861 peak  2001 weight  1.00000E+00 volume  2.80098E+06 ppm1      3.692 ppm2      1.886
 ASSI { 2004}   (( segid    A and resid 24   and name  HB2 ))   (( segid    A and resid 35   and name  HB1 ))      5.246     3.046     1.049 peak  2004 weight  1.00000E+00 volume  2.37251E+06 ppm1      2.641 ppm2      3.330
 ASSI { 2006}   (( segid    A and resid 24   and name  HB1 ))   (( segid    A and resid 29   and name  HA  ))      4.433     2.713     0.887 peak  2006 weight  1.00000E+00 volume  7.80875E+06 ppm1      3.688 ppm2      3.956
 ASSI { 2008}   (( segid    A and resid 29   and name  HA  ))   (( segid    A and resid 24   and name  HA  ))      4.690     2.970     0.938 peak  2008 weight  1.00000E+00 volume  5.56664E+06 ppm1      3.928 ppm2      4.402
 ASSI { 2012}   (( segid    A and resid 24   and name  HB1 ))   (( segid    A and resid 29   and name  HN  ))      4.097     2.377     0.819 peak  2012 weight  1.00000E+00 volume  1.25212E+07 ppm1      3.686 ppm2      8.692
 ASSI { 2015}   (( segid    A and resid 25   and name  HA  ))   (( segid    A and resid 25   and name  HN  ))      3.154     1.434     0.631 peak  2015 weight  1.00000E+00 volume  1.66384E+07 ppm1      4.433 ppm2      8.697
 ASSI { 2025}   (( segid    A and resid 27   and name  HA  ))   (( segid    A and resid 26   and name  HB1 ))      4.161     2.441     0.832 peak  2025 weight  1.00000E+00 volume  4.29146E+06 ppm1      4.249 ppm2      2.739
 ASSI { 2026}   (( segid    A and resid 27   and name  HA  ))   (( segid    A and resid 29   and name  HN  ))      4.467     2.747     0.893 peak  2026 weight  1.00000E+00 volume  1.41391E+06 ppm1      4.248 ppm2      8.688
 ASSI { 2035}   (( segid    A and resid 28   and name  HA  ))   (( segid    A and resid 32   and name  HN  ))      4.638     2.918     0.928 peak  2035 weight  1.00000E+00 volume  1.86421E+06 ppm1      3.761 ppm2      7.543
 ASSI { 2044}   (( segid    A and resid 28   and name  HD2 ))   (  segid    A and resid 41   and name  HG1#)      4.700     2.980     0.940 peak  2044 weight  1.00000E+00 volume  5.43178E+06 ppm1      2.645 ppm2      0.608
 ASSI { 2045}   (  segid    A and resid 54   and name  HB# )   (  segid    A and resid 54   and name  HE# )      6.513     4.793     0.487 peak  2045 weight  1.00000E+00 volume  3.10433E+06 ppm1      2.685 ppm2      7.299
 ASSI { 2046}   (( segid    A and resid 43   and name  HE2 ))   (  segid    A and resid 54   and name  HD# )      5.695     3.975     1.139 peak  2046 weight  1.00000E+00 volume  3.47108E+06 ppm1      2.545 ppm2      7.166
 ASSI { 2047}   (( segid    A and resid 43   and name  HE1 ))   (  segid    A and resid 54   and name  HD# )      6.011     4.291     0.989 peak  2047 weight  1.00000E+00 volume  2.51094E+06 ppm1      2.471 ppm2      7.162
 ASSI { 2048}   (( segid    A and resid 28   and name  HD2 ))   (  segid    A and resid 54   and name  HD# )      5.681     3.961     1.136 peak  2048 weight  1.00000E+00 volume  3.52170E+06 ppm1      2.643 ppm2      7.185
 ASSI { 2049}   (( segid    A and resid 28   and name  HD2 ))   (  segid    A and resid 54   and name  HE# )      5.977     4.257     1.023 peak  2049 weight  1.00000E+00 volume  2.59819E+06 ppm1      2.644 ppm2      7.284
 ASSI { 2051}   (  segid    A and resid 28   and name  HG# )   (  segid    A and resid 54   and name  HE# )      6.797     5.077     0.203 peak  2051 weight  1.00000E+00 volume  2.40154E+06 ppm1      1.466 ppm2      7.291
 ASSI { 2052}   (  segid    A and resid 28   and name  HG# )   (  segid    A and resid 54   and name  HD# )      6.438     4.718     0.562 peak  2052 weight  1.00000E+00 volume  3.32640E+06 ppm1      1.469 ppm2      7.182
 ASSI { 2054}   (( segid    A and resid 28   and name  HD2 ))   (  segid    A and resid 32   and name  HG2#)      4.222     2.502     0.844 peak  2054 weight  1.00000E+00 volume  6.20785E+06 ppm1      2.644 ppm2      0.804
 ASSI { 2056}   (  segid    A and resid 29   and name  HB# )   (  segid    A and resid 30   and name  HB# )      5.892     4.172     1.108 peak  2056 weight  1.00000E+00 volume  6.56957E+06 ppm1      1.352 ppm2      1.844
 ASSI { 2058}   (( segid    A and resid 30   and name  HA  ))   (  segid    A and resid 29   and name  HB# )      5.245     3.525     1.049 peak  2058 weight  1.00000E+00 volume  8.53201E+06 ppm1      4.080 ppm2      1.349
 ASSI { 2061}   (( segid    A and resid 30   and name  HA  ))   (( segid    A and resid 32   and name  HN  ))      4.241     2.521     0.848 peak  2061 weight  1.00000E+00 volume  4.38246E+06 ppm1      4.079 ppm2      7.515
 ASSI { 2062}   (( segid    A and resid 30   and name  HA  ))   (( segid    A and resid 29   and name  HN  ))      5.845     4.125     1.155 peak  2062 weight  1.00000E+00 volume  1.48591E+06 ppm1      4.079 ppm2      8.675
 ASSI { 2065}   (( segid    A and resid 30   and name  HG1 ))   (( segid    A and resid 31   and name  HN  ))      5.193     3.473     1.039 peak  2065 weight  1.00000E+00 volume  1.30733E+06 ppm1      1.541 ppm2      7.172
 ASSI { 2068}   (( segid    A and resid 30   and name  HG1 ))   (( segid    A and resid 30   and name  HG2 ))      2.683     0.963     0.537 peak  2068 weight  1.00000E+00 volume  1.33960E+08 ppm1      1.547 ppm2      1.445
 ASSI { 2072}   (( segid    A and resid 31   and name  HA  ))   (( segid    A and resid 31   and name  HB  ))      2.857     1.137     0.571 peak  2072 weight  1.00000E+00 volume  1.08930E+08 ppm1      4.410 ppm2      4.312
 ASSI { 2075}   (( segid    A and resid 31   and name  HB  ))   (( segid    A and resid 28   and name  HA  ))      4.685     2.965     0.937 peak  2075 weight  1.00000E+00 volume  4.48824E+06 ppm1      4.317 ppm2      3.745
 ASSI { 2081}   (( segid    A and resid 31   and name  HB  ))   (( segid    A and resid 32   and name  HA  ))      4.865     3.145     0.973 peak  2081 weight  1.00000E+00 volume  4.46746E+06 ppm1      4.312 ppm2      4.759
 ASSI { 2087}   (( segid    A and resid 32   and name  HB  ))   (( segid    A and resid 32   and name  HA  ))      4.307     2.587     0.861 peak  2087 weight  1.00000E+00 volume  9.28193E+06 ppm1      3.995 ppm2      4.771
 ASSI { 2094}   (( segid    A and resid 33   and name  HB2 ))   (( segid    A and resid 33   and name  HG2 ))      2.848     1.128     0.570 peak  2094 weight  1.00000E+00 volume  4.48039E+07 ppm1      1.954 ppm2      2.113
 ASSI { 2098}   (( segid    A and resid 33   and name  HG1 ))   (( segid    A and resid 34   and name  HN  ))      3.724     2.004     0.745 peak  2098 weight  1.00000E+00 volume  4.74592E+06 ppm1      1.993 ppm2      9.541
 ASSI { 2100}   (( segid    A and resid 34   and name  HA  ))   (( segid    A and resid 56   and name  HN  ))      4.978     3.258     0.996 peak  2100 weight  1.00000E+00 volume  2.70673E+06 ppm1      4.143 ppm2      9.224
 ASSI { 2103}   (( segid    A and resid 34   and name  HB1 ))   (( segid    A and resid 34   and name  HG2 ))      3.566     1.846     0.713 peak  2103 weight  1.00000E+00 volume  2.88233E+07 ppm1      2.016 ppm2      2.488
 ASSI { 2105}   (( segid    A and resid 34   and name  HB1 ))   (( segid    A and resid 35   and name  HN  ))      4.303     2.583     0.861 peak  2105 weight  1.00000E+00 volume  1.91430E+06 ppm1      2.019 ppm2      7.891
 ASSI { 2106}   (( segid    A and resid 34   and name  HG2 ))   (( segid    A and resid 55   and name  HA  ))      4.411     2.691     0.882 peak  2106 weight  1.00000E+00 volume  7.87143E+06 ppm1      2.499 ppm2      4.638
 ASSI { 2110}   (( segid    A and resid 35   and name  HA  ))   (  segid    A and resid 32   and name  HG2#)      3.851     2.131     0.770 peak  2110 weight  1.00000E+00 volume  3.54357E+06 ppm1      4.011 ppm2      0.805
 ASSI { 2111}   (( segid    A and resid 35   and name  HA  ))   (( segid    A and resid 24   and name  HB2 ))      5.158     3.438     1.032 peak  2111 weight  1.00000E+00 volume  2.22251E+06 ppm1      4.010 ppm2      2.651
 ASSI { 2112}   (( segid    A and resid 35   and name  HA  ))   (( segid    A and resid 40   and name  HA  ))      4.240     2.520     0.848 peak  2112 weight  1.00000E+00 volume  2.23454E+06 ppm1      4.016 ppm2      5.154
 ASSI { 2113}   (( segid    A and resid 35   and name  HB2 ))   (( segid    A and resid 36   and name  HN  ))      4.490     2.770     0.898 peak  2113 weight  1.00000E+00 volume  3.40801E+06 ppm1      3.041 ppm2      8.205
 ASSI { 2124}   (( segid    A and resid 36   and name  HA2 ))   (( segid    A and resid 35   and name  HB1 ))      6.069     4.349     0.931 peak  2124 weight  1.00000E+00 volume  1.18504E+06 ppm1      4.085 ppm2      3.327
 ASSI { 2125}   (( segid    A and resid 36   and name  HA1 ))   (( segid    A and resid 37   and name  HG2 ))      6.398     4.678     0.602 peak  2125 weight  1.00000E+00 volume  8.63722E+05 ppm1      3.811 ppm2      2.189
 ASSI { 2126}   (( segid    A and resid 36   and name  HA2 ))   (( segid    A and resid 37   and name  HB1 ))      6.229     4.509     0.771 peak  2126 weight  1.00000E+00 volume  1.01350E+06 ppm1      4.089 ppm2      2.431
 ASSI { 2127}   (( segid    A and resid 36   and name  HA1 ))   (( segid    A and resid 37   and name  HB1 ))      6.562     4.842     0.438 peak  2127 weight  1.00000E+00 volume  7.41612E+05 ppm1      3.815 ppm2      2.430
 ASSI { 2130}   (( segid    A and resid 36   and name  HA1 ))   (( segid    A and resid 35   and name  HB2 ))      5.834     4.114     1.166 peak  2130 weight  1.00000E+00 volume  1.50188E+06 ppm1      3.813 ppm2      3.022
 ASSI { 2135}   (( segid    A and resid 37   and name  HG1 ))   (( segid    A and resid 56   and name  HB2 ))      4.125     2.405     0.825 peak  2135 weight  1.00000E+00 volume  1.20265E+07 ppm1      2.006 ppm2      3.856
 ASSI { 2138}   (( segid    A and resid 37   and name  HD2 ))   (( segid    A and resid 36   and name  HA2 ))      3.799     2.079     0.760 peak  2138 weight  1.00000E+00 volume  1.62945E+07 ppm1      3.697 ppm2      4.083
 ASSI { 2141}   (( segid    A and resid 37   and name  HD2 ))   (( segid    A and resid 37   and name  HD1 ))      2.811     1.091     0.562 peak  2141 weight  1.00000E+00 volume  1.20054E+08 ppm1      3.698 ppm2      3.641
 ASSI { 2142}   (( segid    A and resid 37   and name  HD2 ))   (( segid    A and resid 37   and name  HG1 ))      3.546     1.826     0.709 peak  2142 weight  1.00000E+00 volume  2.97697E+07 ppm1      3.698 ppm2      2.001
 ASSI { 2144}   (( segid    A and resid 37   and name  HD2 ))   (( segid    A and resid 56   and name  HB1 ))      4.339     2.619     0.868 peak  2144 weight  1.00000E+00 volume  8.87496E+06 ppm1      3.696 ppm2      4.249
 ASSI { 2146}   (( segid    A and resid 37   and name  HD1 ))   (( segid    A and resid 35   and name  HN  ))      4.954     3.234     0.991 peak  2146 weight  1.00000E+00 volume  1.56949E+06 ppm1      3.642 ppm2      7.922
 ASSI { 2147}   (( segid    A and resid 37   and name  HD2 ))   (( segid    A and resid 35   and name  HN  ))      5.804     4.084     1.161 peak  2147 weight  1.00000E+00 volume  1.54934E+06 ppm1      3.700 ppm2      7.919
 ASSI { 2151}   (( segid    A and resid 38   and name  HA  ))   (  segid    A and resid 40   and name  HD# )      6.558     4.838     0.442 peak  2151 weight  1.00000E+00 volume  1.48868E+06 ppm1      4.853 ppm2      6.943
 ASSI { 2155}   (( segid    A and resid 38   and name  HB  ))   (  segid    A and resid 40   and name  HD# )      5.727     4.007     1.145 peak  2155 weight  1.00000E+00 volume  3.35803E+06 ppm1      4.632 ppm2      6.964
 ASSI { 2156}   (( segid    A and resid 38   and name  HB  ))   (( segid    A and resid 38   and name  HN  ))      5.606     3.886     1.121 peak  2156 weight  1.00000E+00 volume  1.90892E+06 ppm1      4.640 ppm2      8.906
 ASSI { 2157}   (( segid    A and resid 38   and name  HB  ))   (( segid    A and resid 39   and name  HN  ))      5.359     3.639     1.072 peak  2157 weight  1.00000E+00 volume  2.49881E+06 ppm1      4.638 ppm2      8.010
 ASSI { 2158}   (( segid    A and resid 38   and name  HB  ))   (( segid    A and resid 37   and name  HG1 ))      4.676     2.956     0.935 peak  2158 weight  1.00000E+00 volume  1.09805E+06 ppm1      4.640 ppm2      2.018
 ASSI { 2160}   (( segid    A and resid 38   and name  HB  ))   (( segid    A and resid 39   and name  HA2 ))      5.190     3.470     1.038 peak  2160 weight  1.00000E+00 volume  3.03013E+06 ppm1      4.635 ppm2      4.427
 ASSI { 2164}   (  segid    A and resid 38   and name  HG2#)   (  segid    A and resid 58   and name  HD# )      6.149     4.429     0.851 peak  2164 weight  1.00000E+00 volume  6.57556E+06 ppm1      1.052 ppm2      3.010
 ASSI { 2167}   (  segid    A and resid 38   and name  HG2#)   (( segid    A and resid 40   and name  HN  ))      5.553     3.833     1.111 peak  2167 weight  1.00000E+00 volume  3.59758E+06 ppm1      1.052 ppm2      8.585
 ASSI { 2180}   (( segid    A and resid 40   and name  HA  ))   (  segid    A and resid 41   and name  HG2#)      4.585     2.865     0.917 peak  2180 weight  1.00000E+00 volume  1.33558E+07 ppm1      5.167 ppm2      0.682
 ASSI { 2182}   (( segid    A and resid 40   and name  HA  ))   (  segid    A and resid 40   and name  HD# )      4.719     2.999     0.944 peak  2182 weight  1.00000E+00 volume  1.07279E+07 ppm1      5.166 ppm2      6.966
 ASSI { 2184}   (( segid    A and resid 40   and name  HB2 ))   (( segid    A and resid 40   and name  HN  ))      4.180     2.460     0.836 peak  2184 weight  1.00000E+00 volume  7.85578E+06 ppm1      2.700 ppm2      8.580
 ASSI { 2185}   (( segid    A and resid 40   and name  HB1 ))   (( segid    A and resid 41   and name  HN  ))      4.293     2.573     0.859 peak  2185 weight  1.00000E+00 volume  8.95072E+06 ppm1      2.917 ppm2      8.526
 ASSI { 2188}   (( segid    A and resid 40   and name  HB2 ))   (  segid    A and resid 23   and name  HB# )      5.793     4.073     1.159 peak  2188 weight  1.00000E+00 volume  3.13423E+06 ppm1      2.702 ppm2      1.567
 ASSI { 2191}   (( segid    A and resid 41   and name  HA  ))   (( segid    A and resid 56   and name  HB2 ))      4.985     3.265     0.997 peak  2191 weight  1.00000E+00 volume  1.81239E+06 ppm1      5.146 ppm2      3.852
 ASSI { 2192}   (( segid    A and resid 41   and name  HA  ))   (( segid    A and resid 42   and name  HA  ))      5.080     3.360     1.016 peak  2192 weight  1.00000E+00 volume  3.44438E+06 ppm1      5.143 ppm2      4.746
 ASSI { 2199}   (  segid    A and resid 41   and name  HG1#)   (  segid    A and resid 54   and name  HD# )      5.376     3.656     1.075 peak  2199 weight  1.00000E+00 volume  1.47207E+07 ppm1      0.610 ppm2      7.161
 ASSI { 2203}   (  segid    A and resid 41   and name  HG2#)   (  segid    A and resid 41   and name  HG1#)      3.650     1.930     0.730 peak  2203 weight  1.00000E+00 volume  2.23274E+08 ppm1      0.706 ppm2      0.610
 ASSI { 2211}   (  segid    A and resid 41   and name  HG1#)   (( segid    A and resid 35   and name  HN  ))      5.002     3.282     1.000 peak  2211 weight  1.00000E+00 volume  4.69363E+06 ppm1      0.609 ppm2      7.897
 ASSI { 2219}   (( segid    A and resid 56   and name  HA  ))   (( segid    A and resid 34   and name  HB2 ))      5.404     3.684     1.081 peak  2219 weight  1.00000E+00 volume  2.37736E+06 ppm1      4.564 ppm2      1.766
 ASSI { 2221}   (  segid    A and resid 32   and name  HG2#)   (  segid    A and resid 41   and name  HG1#)      4.597     2.877     0.919 peak  2221 weight  1.00000E+00 volume  3.85383E+07 ppm1      0.819 ppm2      0.617
 ASSI { 2222}   (  segid    A and resid 41   and name  HG1#)   (( segid    A and resid 56   and name  HN  ))      6.147     4.427     0.853 peak  2222 weight  1.00000E+00 volume  3.29417E+06 ppm1      0.609 ppm2      9.241
 ASSI { 2223}   (  segid    A and resid 41   and name  HG2#)   (( segid    A and resid 22   and name  HN  ))      5.595     3.875     1.119 peak  2223 weight  1.00000E+00 volume  5.51327E+06 ppm1      0.712 ppm2      8.912
 ASSI { 2224}   (  segid    A and resid 41   and name  HG2#)   (( segid    A and resid 24   and name  HN  ))      5.771     4.051     1.154 peak  2224 weight  1.00000E+00 volume  4.80911E+06 ppm1      0.709 ppm2      8.764
 ASSI { 2227}   (  segid    A and resid 32   and name  HG2#)   (( segid    A and resid 41   and name  HB  ))      3.842     2.122     0.768 peak  2227 weight  1.00000E+00 volume  5.52118E+07 ppm1      0.817 ppm2      2.023
 ASSI { 2229}   (( segid    A and resid 42   and name  HA  ))   (( segid    A and resid 22   and name  HN  ))      4.285     2.565     0.857 peak  2229 weight  1.00000E+00 volume  4.27054E+06 ppm1      4.784 ppm2      8.923
 ASSI { 2231}   (( segid    A and resid 42   and name  HA  ))   (( segid    A and resid 43   and name  HB2 ))      4.791     3.071     0.958 peak  2231 weight  1.00000E+00 volume  4.89604E+06 ppm1      4.785 ppm2      1.646
 ASSI { 2232}   (( segid    A and resid 42   and name  HA  ))   (  segid    A and resid 41   and name  HG2#)      5.607     3.887     1.121 peak  2232 weight  1.00000E+00 volume  4.33435E+06 ppm1      4.785 ppm2      0.697
 ASSI { 2234}   (( segid    A and resid 42   and name  HB1 ))   (( segid    A and resid 43   and name  HN  ))      3.857     2.137     0.771 peak  2234 weight  1.00000E+00 volume  1.79993E+07 ppm1      1.884 ppm2      8.523
 ASSI { 2236}   (( segid    A and resid 42   and name  HB2 ))   (  segid    A and resid 44   and name  HG2#)      4.511     2.791     0.902 peak  2236 weight  1.00000E+00 volume  5.91950E+06 ppm1      2.194 ppm2      0.670
 ASSI { 2239}   (( segid    A and resid 42   and name  HB1 ))   (( segid    A and resid 22   and name  HN  ))      4.660     2.940     0.932 peak  2239 weight  1.00000E+00 volume  3.60310E+06 ppm1      1.887 ppm2      8.909
 ASSI { 2241}   (( segid    A and resid 42   and name  HG2 ))   (( segid    A and resid 55   and name  HB1 ))      4.571     2.851     0.914 peak  2241 weight  1.00000E+00 volume  4.39094E+06 ppm1      2.221 ppm2      1.230
 ASSI { 2242}   (( segid    A and resid 42   and name  HG1 ))   (( segid    A and resid 55   and name  HB2 ))      4.588     2.868     0.918 peak  2242 weight  1.00000E+00 volume  6.35166E+06 ppm1      2.139 ppm2      0.991
 ASSI { 2243}   (( segid    A and resid 42   and name  HG1 ))   (  segid    A and resid 17   and name  HG1#)      4.368     2.648     0.874 peak  2243 weight  1.00000E+00 volume  6.84310E+06 ppm1      2.138 ppm2      0.806
 ASSI { 2244}   (( segid    A and resid 42   and name  HG2 ))   (  segid    A and resid 44   and name  HG2#)      4.696     2.976     0.939 peak  2244 weight  1.00000E+00 volume  8.26677E+06 ppm1      2.221 ppm2      0.655
 ASSI { 2245}   (( segid    A and resid 42   and name  HG2 ))   (  segid    A and resid 17   and name  HG1#)      4.373     2.653     0.875 peak  2245 weight  1.00000E+00 volume  7.71494E+06 ppm1      2.223 ppm2      0.804
 ASSI { 2248}   (( segid    A and resid 55   and name  HD1 ))   (( segid    A and resid 10   and name  HE1 ))      5.918     4.198     1.082 peak  2248 weight  1.00000E+00 volume  1.37909E+06 ppm1     -0.399 ppm2     10.659
 ASSI { 2249}   (( segid    A and resid 55   and name  HD1 ))   (( segid    A and resid 10   and name  HB1 ))      5.325     3.605     1.065 peak  2249 weight  1.00000E+00 volume  2.59851E+06 ppm1     -0.386 ppm2      2.168
 ASSI { 2251}   (( segid    A and resid 42   and name  HG2 ))   (( segid    A and resid 57   and name  HA  ))      6.417     4.697     0.583 peak  2251 weight  1.00000E+00 volume  8.47842E+05 ppm1      2.227 ppm2      5.016
 ASSI { 2256}   (( segid    A and resid 42   and name  HB2 ))   (( segid    A and resid 57   and name  HB1 ))      4.344     2.624     0.869 peak  2256 weight  1.00000E+00 volume  2.78634E+06 ppm1      2.195 ppm2      3.233
 ASSI { 2257}   (( segid    A and resid 42   and name  HG1 ))   (( segid    A and resid 57   and name  HB1 ))      4.344     2.624     0.869 peak  2257 weight  1.00000E+00 volume  5.43901E+06 ppm1      2.141 ppm2      3.233
 ASSI { 2258}   (( segid    A and resid 42   and name  HG2 ))   (( segid    A and resid 57   and name  HB1 ))      4.719     2.999     0.944 peak  2258 weight  1.00000E+00 volume  5.21914E+06 ppm1      2.225 ppm2      3.233
 ASSI { 2262}   (( segid    A and resid 42   and name  HG1 ))   (( segid    A and resid 20   and name  HA  ))      5.434     3.714     1.087 peak  2262 weight  1.00000E+00 volume  2.30069E+06 ppm1      2.135 ppm2      4.120
 ASSI { 2264}   (( segid    A and resid 43   and name  HA  ))   (( segid    A and resid 19   and name  HN  ))      4.649     2.929     0.930 peak  2264 weight  1.00000E+00 volume  2.35460E+06 ppm1      4.828 ppm2      7.871
 ASSI { 2265}   (( segid    A and resid 43   and name  HA  ))   (( segid    A and resid 42   and name  HN  ))      5.763     4.043     1.153 peak  2265 weight  1.00000E+00 volume  1.61616E+06 ppm1      4.829 ppm2      9.082
 ASSI { 2266}   (( segid    A and resid 43   and name  HA  ))   (( segid    A and resid 44   and name  HA  ))      5.102     3.382     1.020 peak  2266 weight  1.00000E+00 volume  3.11669E+06 ppm1      4.833 ppm2      5.156
 ASSI { 2269}   (( segid    A and resid 43   and name  HA  ))   (( segid    A and resid 19   and name  HB2 ))      4.351     2.631     0.870 peak  2269 weight  1.00000E+00 volume  6.62132E+06 ppm1      4.829 ppm2      1.891
 ASSI { 2275}   (( segid    A and resid 43   and name  HB1 ))   (( segid    A and resid 19   and name  HG1 ))      3.808     2.088     0.762 peak  2275 weight  1.00000E+00 volume  1.94135E+07 ppm1      1.646 ppm2      2.105
 ASSI { 2276}   (( segid    A and resid 43   and name  HB2 ))   (( segid    A and resid 43   and name  HG1 ))      3.860     2.140     0.772 peak  2276 weight  1.00000E+00 volume  1.77990E+07 ppm1      1.593 ppm2      0.585
 ASSI { 2277}   (( segid    A and resid 43   and name  HB2 ))   (  segid    A and resid 43   and name  HD# )      4.016     2.296     0.803 peak  2277 weight  1.00000E+00 volume  1.50781E+07 ppm1      1.593 ppm2      1.348
 ASSI { 2278}   (( segid    A and resid 43   and name  HB1 ))   (  segid    A and resid 43   and name  HD# )      4.025     2.305     0.805 peak  2278 weight  1.00000E+00 volume  1.43085E+07 ppm1      1.646 ppm2      1.349
 ASSI { 2280}   (( segid    A and resid 43   and name  HB1 ))   (  segid    A and resid 18   and name  HB# )      4.498     2.778     0.900 peak  2280 weight  1.00000E+00 volume  7.67204E+06 ppm1      1.650 ppm2      1.212
 ASSI { 2282}   (( segid    A and resid 43   and name  HB1 ))   (( segid    A and resid 43   and name  HE2 ))      4.932     3.212     0.986 peak  2282 weight  1.00000E+00 volume  2.77859E+06 ppm1      1.649 ppm2      2.543
 ASSI { 2285}   (( segid    A and resid 43   and name  HB2 ))   (  segid    A and resid 54   and name  HE# )      5.656     3.936     1.131 peak  2285 weight  1.00000E+00 volume  3.61738E+06 ppm1      1.593 ppm2      7.325
 ASSI { 2286}   (( segid    A and resid 43   and name  HB1 ))   (  segid    A and resid 54   and name  HE# )      5.800     4.080     1.160 peak  2286 weight  1.00000E+00 volume  3.11254E+06 ppm1      1.643 ppm2      7.322
 ASSI { 2296}   (( segid    A and resid 43   and name  HG1 ))   (( segid    A and resid 43   and name  HN  ))      4.741     3.021     0.948 peak  2296 weight  1.00000E+00 volume  1.28715E+06 ppm1      0.580 ppm2      8.534
 ASSI { 2297}   (  segid    A and resid 43   and name  HD# )   (  segid    A and resid 54   and name  HE# )      5.889     4.169     1.111 peak  2297 weight  1.00000E+00 volume  5.67895E+06 ppm1      1.361 ppm2      7.310
 ASSI { 2299}   (  segid    A and resid 43   and name  HD# )   (( segid    A and resid 19   and name  HB2 ))      4.756     3.036     0.951 peak  2299 weight  1.00000E+00 volume  1.02387E+07 ppm1      1.354 ppm2      1.892
 ASSI { 2305}   (( segid    A and resid 43   and name  HB1 ))   (( segid    A and resid 43   and name  HE1 ))      4.362     2.642     0.872 peak  2305 weight  1.00000E+00 volume  8.59420E+06 ppm1      1.649 ppm2      2.464
 ASSI { 2306}   (( segid    A and resid 43   and name  HE2 ))   (  segid    A and resid 18   and name  HB# )      5.434     3.714     1.087 peak  2306 weight  1.00000E+00 volume  4.65976E+06 ppm1      2.544 ppm2      1.215
 ASSI { 2309}   (( segid    A and resid 43   and name  HE1 ))   (( segid    A and resid 52   and name  HB2 ))      4.556     2.836     0.911 peak  2309 weight  1.00000E+00 volume  6.61960E+06 ppm1      2.476 ppm2      2.246
 ASSI { 2317}   (( segid    A and resid 44   and name  HA  ))   (( segid    A and resid 45   and name  HB  ))      4.095     2.375     0.819 peak  2317 weight  1.00000E+00 volume  1.25596E+07 ppm1      5.167 ppm2      3.689
 ASSI { 2318}   (( segid    A and resid 44   and name  HA  ))   (  segid    A and resid 15   and name  HE# )      6.972     5.252     0.028 peak  2318 weight  1.00000E+00 volume  1.03102E+06 ppm1      5.167 ppm2      7.392
 ASSI { 2319}   (( segid    A and resid 44   and name  HA  ))   (( segid    A and resid 16   and name  HN  ))      4.133     2.413     0.827 peak  2319 weight  1.00000E+00 volume  1.18858E+07 ppm1      5.163 ppm2      8.457
 ASSI { 2320}   (( segid    A and resid 44   and name  HA  ))   (( segid    A and resid 17   and name  HN  ))      4.337     2.617     0.867 peak  2320 weight  1.00000E+00 volume  8.89514E+06 ppm1      5.170 ppm2      8.773
 ASSI { 2321}   (( segid    A and resid 44   and name  HA  ))   (( segid    A and resid 18   and name  HN  ))      3.325     1.605     0.665 peak  2321 weight  1.00000E+00 volume  2.63358E+07 ppm1      5.163 ppm2      9.118
 ASSI { 2328}   (( segid    A and resid 44   and name  HB  ))   (( segid    A and resid 43   and name  HA  ))      5.464     3.744     1.093 peak  2328 weight  1.00000E+00 volume  2.22479E+06 ppm1      1.920 ppm2      4.822
 ASSI { 2329}   (( segid    A and resid 44   and name  HB  ))   (( segid    A and resid 16   and name  HA  ))      5.608     3.888     1.122 peak  2329 weight  1.00000E+00 volume  1.90401E+06 ppm1      1.922 ppm2      4.525
 ASSI { 2330}   (( segid    A and resid 44   and name  HB  ))   (( segid    A and resid 10   and name  HD1 ))      5.809     4.089     1.162 peak  2330 weight  1.00000E+00 volume  1.54155E+06 ppm1      1.920 ppm2      6.809
 ASSI { 2333}   (( segid    A and resid 44   and name  HB  ))   (( segid    A and resid 45   and name  HB  ))      5.380     3.660     1.076 peak  2333 weight  1.00000E+00 volume  1.43041E+06 ppm1      1.914 ppm2      3.679
 ASSI { 2340}   (  segid    A and resid 17   and name  HG2#)   (( segid    A and resid 44   and name  HB  ))      4.172     2.452     0.834 peak  2340 weight  1.00000E+00 volume  3.36733E+07 ppm1      0.981 ppm2      1.920
 ASSI { 2344}   (( segid    A and resid 44   and name  HG11))   (( segid    A and resid 53   and name  HB2 ))      4.837     3.117     0.967 peak  2344 weight  1.00000E+00 volume  2.26449E+06 ppm1      0.668 ppm2      2.396
 ASSI { 2348}   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 10   and name  HD1 ))      6.181     4.461     0.819 peak  2348 weight  1.00000E+00 volume  3.18468E+06 ppm1      0.681 ppm2      6.804
 ASSI { 2349}   (  segid    A and resid 44   and name  HD1#)   (( segid    A and resid 10   and name  HN  ))      4.843     3.123     0.969 peak  2349 weight  1.00000E+00 volume  4.82772E+06 ppm1      0.599 ppm2      6.687
 ASSI { 2350}   (( segid    A and resid 44   and name  HG11))   (( segid    A and resid 10   and name  HD1 ))      5.333     3.613     1.067 peak  2350 weight  1.00000E+00 volume  2.57555E+06 ppm1      0.674 ppm2      6.808
 ASSI { 2351}   (  segid    A and resid 44   and name  HD1#)   (( segid    A and resid 16   and name  HN  ))      6.128     4.408     0.872 peak  2351 weight  1.00000E+00 volume  3.32441E+06 ppm1      0.601 ppm2      8.477
 ASSI { 2353}   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 17   and name  HN  ))      5.993     4.273     1.007 peak  2353 weight  1.00000E+00 volume  3.68340E+06 ppm1      0.682 ppm2      8.796
 ASSI { 2354}   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 18   and name  HN  ))      5.052     3.332     1.010 peak  2354 weight  1.00000E+00 volume  8.86564E+06 ppm1      0.678 ppm2      9.119
 ASSI { 2355}   (  segid    A and resid 44   and name  HD1#)   (( segid    A and resid 46   and name  HN  ))      5.260     3.540     1.052 peak  2355 weight  1.00000E+00 volume  8.38392E+06 ppm1      0.597 ppm2      9.239
 ASSI { 2358}   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 55   and name  HB1 ))      4.859     3.139     0.972 peak  2358 weight  1.00000E+00 volume  1.35007E+07 ppm1      0.683 ppm2      1.235
 ASSI { 2359}   (  segid    A and resid 44   and name  HG2#)   (  segid    A and resid 17   and name  HG2#)      5.101     3.381     1.020 peak  2359 weight  1.00000E+00 volume  4.03256E+07 ppm1      0.680 ppm2      0.986
 OR { 2359}
   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 55   and name  HB2 )) ASSI { 2360}   (  segid    A and resid 44   and name  HG2#)   (( segid    A and resid 44   and name  HG12))      4.379     2.659     0.876 peak  2360 weight  1.00000E+00 volume  2.52098E+07 ppm1      0.681 ppm2      1.098
 ASSI { 2365}   (( segid    A and resid 46   and name  HB1 ))   (  segid    A and resid 44   and name  HD1#)      6.703     4.983     0.297 peak  2365 weight  1.00000E+00 volume  1.95837E+06 ppm1      2.739 ppm2      0.595
 ASSI { 2371}   (( segid    A and resid 45   and name  HA  ))   (( segid    A and resid 44   and name  HB  ))      4.152     2.432     0.830 peak  2371 weight  1.00000E+00 volume  2.81252E+06 ppm1      5.108 ppm2      1.903
 ASSI { 2372}   (( segid    A and resid 45   and name  HA  ))   (  segid    A and resid 18   and name  HB# )      6.505     4.785     0.495 peak  2372 weight  1.00000E+00 volume  2.34557E+06 ppm1      5.105 ppm2      1.208
 ASSI { 2374}   (( segid    A and resid 45   and name  HA  ))   (( segid    A and resid 52   and name  HN  ))      5.209     3.489     1.042 peak  2374 weight  1.00000E+00 volume  2.66080E+06 ppm1      5.105 ppm2      8.472
 ASSI { 2377}   (( segid    A and resid 45   and name  HA  ))   (( segid    A and resid 46   and name  HA  ))      5.375     3.655     1.075 peak  2377 weight  1.00000E+00 volume  2.45485E+06 ppm1      5.106 ppm2      4.539
 ASSI { 2379}   (( segid    A and resid 45   and name  HA  ))   (( segid    A and resid 52   and name  HD22))      5.494     3.774     1.099 peak  2379 weight  1.00000E+00 volume  2.15375E+06 ppm1      5.104 ppm2      7.345
 ASSI { 2388}   (( segid    A and resid 46   and name  HB1 ))   (  segid    A and resid 51   and name  HG# )      5.920     4.200     1.080 peak  2388 weight  1.00000E+00 volume  2.75110E+06 ppm1      2.744 ppm2      1.651
 ASSI { 2389}   (( segid    A and resid 46   and name  HB2 ))   (  segid    A and resid 51   and name  HG# )      5.769     4.049     1.154 peak  2389 weight  1.00000E+00 volume  2.21142E+06 ppm1      4.369 ppm2      1.659
 ASSI { 2390}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 51   and name  HB2 ))      4.022     2.302     0.804 peak  2390 weight  1.00000E+00 volume  4.14504E+06 ppm1      4.362 ppm2      1.885
 ASSI { 2391}   (( segid    A and resid 46   and name  HB2 ))   (  segid    A and resid 45   and name  HG2#)      6.625     4.905     0.375 peak  2391 weight  1.00000E+00 volume  2.10094E+06 ppm1      4.361 ppm2      0.975
 ASSI { 2392}   (( segid    A and resid 46   and name  HB1 ))   (( segid    A and resid 15   and name  HA  ))      5.036     3.316     1.007 peak  2392 weight  1.00000E+00 volume  1.66474E+06 ppm1      2.747 ppm2      5.579
 ASSI { 2394}   (( segid    A and resid 46   and name  HB1 ))   (( segid    A and resid 9    and name  HB2 ))      5.240     3.520     1.048 peak  2394 weight  1.00000E+00 volume  2.86064E+06 ppm1      2.738 ppm2      3.107
 ASSI { 2395}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 9    and name  HB2 ))      4.237     2.517     0.847 peak  2395 weight  1.00000E+00 volume  3.04710E+06 ppm1      4.368 ppm2      3.101
 ASSI { 2397}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 13   and name  HG2 ))      4.261     2.541     0.852 peak  2397 weight  1.00000E+00 volume  2.65674E+06 ppm1      4.363 ppm2      2.370
 ASSI { 2401}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 48   and name  HN  ))      4.567     2.847     0.913 peak  2401 weight  1.00000E+00 volume  2.67575E+06 ppm1      4.362 ppm2      8.912
 ASSI { 2406}   (( segid    A and resid 46   and name  HB1 ))   (( segid    A and resid 48   and name  HN  ))      5.037     3.317     1.007 peak  2406 weight  1.00000E+00 volume  1.89703E+06 ppm1      2.742 ppm2      8.920
 ASSI { 2408}   (( segid    A and resid 47   and name  HA  ))   (( segid    A and resid 48   and name  HA  ))      4.568     2.848     0.914 peak  2408 weight  1.00000E+00 volume  6.52224E+06 ppm1      4.156 ppm2      4.586
 ASSI { 2412}   (( segid    A and resid 47   and name  HB2 ))   (( segid    A and resid 47   and name  HB1 ))      2.613     0.893     0.523 peak  2412 weight  1.00000E+00 volume  1.26235E+08 ppm1      3.768 ppm2      3.874
 ASSI { 2415}   (( segid    A and resid 47   and name  HA  ))   (( segid    A and resid 48   and name  HN  ))      4.178     2.458     0.836 peak  2415 weight  1.00000E+00 volume  5.62055E+06 ppm1      4.154 ppm2      8.926
 ASSI { 2416}   (( segid    A and resid 47   and name  HB2 ))   (( segid    A and resid 48   and name  HN  ))      4.055     2.335     0.811 peak  2416 weight  1.00000E+00 volume  8.52746E+06 ppm1      3.769 ppm2      8.929
 ASSI { 2417}   (( segid    A and resid 47   and name  HB1 ))   (( segid    A and resid 48   and name  HN  ))      4.387     2.667     0.877 peak  2417 weight  1.00000E+00 volume  8.30193E+06 ppm1      3.872 ppm2      8.929
 ASSI { 2418}   (( segid    A and resid 47   and name  HA  ))   (( segid    A and resid 50   and name  HG2 ))      5.088     3.368     1.018 peak  2418 weight  1.00000E+00 volume  2.18727E+06 ppm1      4.154 ppm2      1.252
 ASSI { 2420}   (( segid    A and resid 47   and name  HB1 ))   (( segid    A and resid 14   and name  HB2 ))      4.435     2.715     0.887 peak  2420 weight  1.00000E+00 volume  7.78536E+06 ppm1      3.874 ppm2      2.056
 ASSI { 2425}   (( segid    A and resid 47   and name  HB2 ))   (( segid    A and resid 46   and name  HA  ))      4.525     2.805     0.905 peak  2425 weight  1.00000E+00 volume  5.42870E+06 ppm1      3.771 ppm2      4.555
 ASSI { 2427}   (( segid    A and resid 47   and name  HB2 ))   (( segid    A and resid 16   and name  HN  ))      6.588     4.868     0.412 peak  2427 weight  1.00000E+00 volume  7.24232E+05 ppm1      3.768 ppm2      8.426
 ASSI { 2433}   (  segid    A and resid 48   and name  HB# )   (( segid    A and resid 13   and name  HB1 ))      5.718     3.998     1.144 peak  2433 weight  1.00000E+00 volume  3.39005E+06 ppm1      3.940 ppm2      2.098
 ASSI { 2435}   (( segid    A and resid 48   and name  HB2 ))   (( segid    A and resid 13   and name  HB2 ))      4.651     2.931     0.930 peak  2435 weight  1.00000E+00 volume  5.84764E+06 ppm1      3.941 ppm2      2.622
 ASSI { 2438}   (  segid    A and resid 48   and name  HB# )   (( segid    A and resid 47   and name  HN  ))      6.120     4.400     0.880 peak  2438 weight  1.00000E+00 volume  2.25439E+06 ppm1      3.936 ppm2      9.049
 ASSI { 2443}   (( segid    A and resid 49   and name  HB1 ))   (( segid    A and resid 49   and name  HB2 ))      2.863     1.143     0.573 peak  2443 weight  1.00000E+00 volume  1.07556E+08 ppm1      3.996 ppm2      3.897
 ASSI { 2451}   (( segid    A and resid 50   and name  HB1 ))   (( segid    A and resid 50   and name  HD1 ))      4.491     2.771     0.898 peak  2451 weight  1.00000E+00 volume  7.21468E+06 ppm1      2.152 ppm2      1.638
 ASSI { 2452}   (( segid    A and resid 50   and name  HB2 ))   (( segid    A and resid 50   and name  HD1 ))      4.536     2.816     0.907 peak  2452 weight  1.00000E+00 volume  6.79960E+06 ppm1      1.943 ppm2      1.639
 ASSI { 2458}   (( segid    A and resid 50   and name  HG2 ))   (( segid    A and resid 50   and name  HG1 ))      2.529     0.809     0.506 peak  2458 weight  1.00000E+00 volume  1.03094E+08 ppm1      1.257 ppm2      1.367
 ASSI { 2463}   (( segid    A and resid 50   and name  HD1 ))   (( segid    A and resid 50   and name  HG1 ))      3.496     1.776     0.699 peak  2463 weight  1.00000E+00 volume  1.72532E+07 ppm1      1.622 ppm2      1.368
 ASSI { 2465}   (( segid    A and resid 50   and name  HD1 ))   (( segid    A and resid 50   and name  HG2 ))      4.025     2.305     0.805 peak  2465 weight  1.00000E+00 volume  2.28421E+05 ppm1      1.623 ppm2      1.265
 ASSI { 2468}   (( segid    A and resid 51   and name  HB1 ))   (( segid    A and resid 52   and name  HN  ))      3.990     2.270     0.798 peak  2468 weight  1.00000E+00 volume  5.64146E+06 ppm1      1.812 ppm2      8.479
 ASSI { 2469}   (( segid    A and resid 51   and name  HB1 ))   (( segid    A and resid 51   and name  HN  ))      3.208     1.488     0.642 peak  2469 weight  1.00000E+00 volume  2.30660E+07 ppm1      1.812 ppm2      7.275
 ASSI { 2470}   (( segid    A and resid 51   and name  HB2 ))   (( segid    A and resid 51   and name  HN  ))      3.586     1.866     0.717 peak  2470 weight  1.00000E+00 volume  1.80457E+07 ppm1      1.882 ppm2      7.273
 ASSI { 2472}   (( segid    A and resid 51   and name  HB2 ))   (( segid    A and resid 51   and name  HA  ))      3.466     1.746     0.693 peak  2472 weight  1.00000E+00 volume  1.78595E+07 ppm1      1.886 ppm2      4.266
 ASSI { 2486}   (( segid    A and resid 52   and name  HA  ))   (( segid    A and resid 51   and name  HB2 ))      5.144     3.424     1.029 peak  2486 weight  1.00000E+00 volume  3.19824E+06 ppm1      5.878 ppm2      1.889
 ASSI { 2489}   (( segid    A and resid 52   and name  HB1 ))   (( segid    A and resid 53   and name  HA  ))      5.439     3.719     1.088 peak  2489 weight  1.00000E+00 volume  2.28780E+06 ppm1      2.606 ppm2      4.671
 ASSI { 2491}   (( segid    A and resid 52   and name  HB2 ))   (( segid    A and resid 52   and name  HD21))      4.898     3.178     0.980 peak  2491 weight  1.00000E+00 volume  3.04972E+06 ppm1      2.233 ppm2      6.762
 ASSI { 2492}   (( segid    A and resid 52   and name  HB1 ))   (( segid    A and resid 52   and name  HD21))      4.515     2.795     0.903 peak  2492 weight  1.00000E+00 volume  4.17697E+06 ppm1      2.602 ppm2      6.766
 ASSI { 2493}   (( segid    A and resid 52   and name  HA  ))   (( segid    A and resid 52   and name  HD21))      5.515     3.795     1.103 peak  2493 weight  1.00000E+00 volume  2.10423E+06 ppm1      5.876 ppm2      6.764
 ASSI { 2494}   (( segid    A and resid 52   and name  HB2 ))   (( segid    A and resid 43   and name  HB2 ))      4.417     2.697     0.883 peak  2494 weight  1.00000E+00 volume  3.17450E+06 ppm1      2.240 ppm2      1.594
 ASSI { 2497}   (( segid    A and resid 53   and name  HB2 ))   (  segid    A and resid 53   and name  HG# )      2.432     0.712     0.486 peak  2497 weight  1.00000E+00 volume  1.64180E+08 ppm1      2.389 ppm2      2.341
 ASSI { 2498}   (( segid    A and resid 53   and name  HB1 ))   (( segid    A and resid 10   and name  HE1 ))      5.892     4.172     1.108 peak  2498 weight  1.00000E+00 volume  1.41490E+06 ppm1      1.619 ppm2     10.670
 ASSI { 2500}   (( segid    A and resid 55   and name  HA  ))   (( segid    A and resid 10   and name  HE1 ))      6.079     4.359     0.921 peak  2500 weight  1.00000E+00 volume  1.17357E+06 ppm1      4.631 ppm2     10.674
 ASSI { 2501}   (  segid    A and resid 53   and name  HG# )   (( segid    A and resid 53   and name  HN  ))      4.175     2.455     0.835 peak  2501 weight  1.00000E+00 volume  8.07960E+06 ppm1      2.346 ppm2      8.675
 ASSI { 2506}   (  segid    A and resid 53   and name  HG# )   (( segid    A and resid 44   and name  HG12))      5.331     3.611     1.066 peak  2506 weight  1.00000E+00 volume  5.16213E+06 ppm1      2.347 ppm2      1.098
 ASSI { 2508}   (( segid    A and resid 13   and name  HG1 ))   (( segid    A and resid 46   and name  HB2 ))      4.905     3.185     0.981 peak  2508 weight  1.00000E+00 volume  3.53522E+06 ppm1      2.506 ppm2      4.352
 ASSI { 2509}   (( segid    A and resid 13   and name  HG1 ))   (( segid    A and resid 12   and name  HA  ))      4.729     3.009     0.946 peak  2509 weight  1.00000E+00 volume  5.29675E+06 ppm1      2.507 ppm2      4.559
 ASSI { 2513}   (  segid    A and resid 53   and name  HG# )   (( segid    A and resid 52   and name  HA  ))      5.155     3.435     1.031 peak  2513 weight  1.00000E+00 volume  2.23934E+06 ppm1      2.346 ppm2      5.861
 ASSI { 2516}   (( segid    A and resid 46   and name  HA  ))   (( segid    A and resid 47   and name  HN  ))      3.000     1.280     0.600 peak  2516 weight  1.00000E+00 volume  4.01849E+07 ppm1      4.569 ppm2      9.038
 ASSI { 2526}   (( segid    A and resid 54   and name  HA  ))   (  segid    A and resid 54   and name  HE# )      5.504     3.784     1.101 peak  2526 weight  1.00000E+00 volume  4.25907E+06 ppm1      5.402 ppm2      7.290
 ASSI { 2527}   (( segid    A and resid 54   and name  HA  ))   (( segid    A and resid 54   and name  HN  ))      3.559     1.839     0.712 peak  2527 weight  1.00000E+00 volume  2.91573E+07 ppm1      5.400 ppm2      8.863
 ASSI { 2528}   (  segid    A and resid 54   and name  HB# )   (( segid    A and resid 55   and name  HN  ))      4.201     2.481     0.840 peak  2528 weight  1.00000E+00 volume  1.88048E+07 ppm1      2.685 ppm2      8.827
 ASSI { 2537}   (( segid    A and resid 55   and name  HB2 ))   (( segid    A and resid 55   and name  HD2 ))      3.779     2.059     0.756 peak  2537 weight  1.00000E+00 volume  8.82505E+06 ppm1      0.994 ppm2      0.778
 ASSI { 2538}   (( segid    A and resid 55   and name  HB1 ))   (( segid    A and resid 55   and name  HE1 ))      4.983     3.263     0.997 peak  2538 weight  1.00000E+00 volume  3.86862E+06 ppm1      1.240 ppm2      1.993
 ASSI { 2541}   (  segid    A and resid 54   and name  HB# )   (( segid    A and resid 55   and name  HA  ))      5.137     3.417     1.027 peak  2541 weight  1.00000E+00 volume  6.44187E+06 ppm1      2.689 ppm2      4.655
 ASSI { 2551}   (( segid    A and resid 55   and name  HA  ))   (( segid    A and resid 55   and name  HE2 ))      4.861     3.141     0.972 peak  2551 weight  1.00000E+00 volume  4.49104E+06 ppm1      4.631 ppm2      1.597
 ASSI { 2552}   (( segid    A and resid 55   and name  HA  ))   (( segid    A and resid 55   and name  HN  ))      3.940     2.220     0.788 peak  2552 weight  1.00000E+00 volume  1.03309E+07 ppm1      4.633 ppm2      8.812
 ASSI { 2553}   (( segid    A and resid 55   and name  HB2 ))   (( segid    A and resid 10   and name  HE1 ))      4.635     2.915     0.927 peak  2553 weight  1.00000E+00 volume  1.44810E+06 ppm1      0.998 ppm2     10.678
 ASSI { 2554}   (( segid    A and resid 55   and name  HG2 ))   (( segid    A and resid 10   and name  HE1 ))      4.092     2.372     0.818 peak  2554 weight  1.00000E+00 volume  1.66039E+06 ppm1      0.579 ppm2     10.677
 ASSI { 2555}   (( segid    A and resid 55   and name  HG1 ))   (( segid    A and resid 10   and name  HZ2 ))      6.285     4.565     0.715 peak  2555 weight  1.00000E+00 volume  9.61026E+05 ppm1      1.033 ppm2      7.552
 ASSI { 2557}   (( segid    A and resid 55   and name  HG2 ))   (( segid    A and resid 10   and name  HZ2 ))      5.491     3.771     1.098 peak  2557 weight  1.00000E+00 volume  2.16167E+06 ppm1      0.569 ppm2      7.559
 ASSI { 2558}   (( segid    A and resid 55   and name  HG1 ))   (( segid    A and resid 10   and name  HE3 ))      6.123     4.403     0.877 peak  2558 weight  1.00000E+00 volume  1.12378E+06 ppm1      1.028 ppm2      7.246
 ASSI { 2559}   (( segid    A and resid 55   and name  HD1 ))   (( segid    A and resid 10   and name  HZ2 ))      7.000     5.280     0.000 peak  2559 weight  1.00000E+00 volume  3.49752E+05 ppm1     -0.395 ppm2      7.570
 ASSI { 2560}   (( segid    A and resid 55   and name  HD1 ))   (( segid    A and resid 55   and name  HN  ))      6.441     4.721     0.559 peak  2560 weight  1.00000E+00 volume  8.29665E+05 ppm1     -0.389 ppm2      8.811
 ASSI { 2565}   (( segid    A and resid 55   and name  HD2 ))   (( segid    A and resid 10   and name  HB1 ))      4.933     3.213     0.987 peak  2565 weight  1.00000E+00 volume  4.10814E+06 ppm1      0.797 ppm2      2.157
 ASSI { 2567}   (( segid    A and resid 55   and name  HD2 ))   (( segid    A and resid 10   and name  HB2 ))      5.306     3.586     1.061 peak  2567 weight  1.00000E+00 volume  1.38770E+06 ppm1      0.815 ppm2      2.878
 ASSI { 2570}   (( segid    A and resid 55   and name  HB2 ))   (  segid    A and resid 54   and name  HB# )      6.589     4.869     0.411 peak  2570 weight  1.00000E+00 volume  1.44780E+06 ppm1      0.985 ppm2      2.729
 ASSI { 2572}   (( segid    A and resid 55   and name  HE2 ))   (( segid    A and resid 10   and name  HE3 ))      5.008     3.288     1.002 peak  2572 weight  1.00000E+00 volume  3.75241E+06 ppm1      1.617 ppm2      7.244
 ASSI { 2573}   (( segid    A and resid 55   and name  HE2 ))   (  segid    A and resid 15   and name  HE# )      7.000     5.280     0.000 peak  2573 weight  1.00000E+00 volume  8.00570E+05 ppm1      1.622 ppm2      7.392
 ASSI { 2574}   (( segid    A and resid 55   and name  HE1 ))   (( segid    A and resid 10   and name  HE1 ))      6.143     4.423     0.857 peak  2574 weight  1.00000E+00 volume  1.10231E+06 ppm1      2.002 ppm2     10.681
 ASSI { 2575}   (( segid    A and resid 55   and name  HE2 ))   (( segid    A and resid 10   and name  HE1 ))      4.688     2.968     0.938 peak  2575 weight  1.00000E+00 volume  1.40435E+06 ppm1      1.615 ppm2     10.663
 ASSI { 2582}   (( segid    A and resid 55   and name  HE2 ))   (( segid    A and resid 10   and name  HB1 ))      5.406     3.686     1.081 peak  2582 weight  1.00000E+00 volume  2.37160E+06 ppm1      1.612 ppm2      2.167
 ASSI { 2584}   (( segid    A and resid 55   and name  HB1 ))   (  segid    A and resid 54   and name  HB# )      6.413     4.693     0.587 peak  2584 weight  1.00000E+00 volume  1.70281E+06 ppm1      1.245 ppm2      2.703
 ASSI { 2588}   (( segid    A and resid 10   and name  HB2 ))   (( segid    A and resid 10   and name  HE1 ))      6.378     4.658     0.622 peak  2588 weight  1.00000E+00 volume  8.79784E+05 ppm1      2.884 ppm2     10.697
 ASSI { 2589}   (( segid    A and resid 10   and name  HB1 ))   (( segid    A and resid 10   and name  HE1 ))      6.047     4.327     0.953 peak  2589 weight  1.00000E+00 volume  1.21177E+06 ppm1      2.165 ppm2     10.691
 ASSI { 2590}   (( segid    A and resid 10   and name  HB2 ))   (( segid    A and resid 13   and name  HN  ))      5.270     3.550     1.054 peak  2590 weight  1.00000E+00 volume  8.11353E+05 ppm1      2.889 ppm2      8.191
 ASSI { 2592}   (( segid    A and resid 55   and name  HE1 ))   (( segid    A and resid 10   and name  HZ2 ))      6.469     4.749     0.531 peak  2592 weight  1.00000E+00 volume  8.07747E+05 ppm1      2.007 ppm2      7.578
 ASSI { 2594}   (( segid    A and resid 55   and name  HE2 ))   (( segid    A and resid 10   and name  HZ2 ))      6.014     4.294     0.986 peak  2594 weight  1.00000E+00 volume  1.25114E+06 ppm1      1.620 ppm2      7.555
 ASSI { 2597}   (( segid    A and resid 56   and name  HA  ))   (( segid    A and resid 34   and name  HG2 ))      4.705     2.985     0.941 peak  2597 weight  1.00000E+00 volume  2.07999E+06 ppm1      4.570 ppm2      2.499
 ASSI { 2598}   (( segid    A and resid 56   and name  HB1 ))   (( segid    A and resid 34   and name  HG2 ))      5.459     3.739     1.092 peak  2598 weight  1.00000E+00 volume  2.23851E+06 ppm1      4.261 ppm2      2.487
 ASSI { 2599}   (( segid    A and resid 56   and name  HB1 ))   (( segid    A and resid 34   and name  HG1 ))      6.105     4.385     0.895 peak  2599 weight  1.00000E+00 volume  1.14356E+06 ppm1      4.258 ppm2      2.752
 ASSI { 2603}   (( segid    A and resid 56   and name  HB1 ))   (( segid    A and resid 38   and name  HG1 ))      6.144     4.424     0.856 peak  2603 weight  1.00000E+00 volume  1.10096E+06 ppm1      4.253 ppm2      5.802
 ASSI { 2604}   (( segid    A and resid 56   and name  HB1 ))   (( segid    A and resid 41   and name  HA  ))      5.408     3.688     1.082 peak  2604 weight  1.00000E+00 volume  2.36732E+06 ppm1      4.264 ppm2      5.142
 ASSI { 2605}   (( segid    A and resid 56   and name  HB1 ))   (( segid    A and resid 57   and name  HA  ))      5.431     3.711     1.086 peak  2605 weight  1.00000E+00 volume  2.30693E+06 ppm1      4.261 ppm2      4.980
 ASSI { 2606}   (( segid    A and resid 56   and name  HA  ))   (( segid    A and resid 40   and name  HB1 ))      5.449     3.729     1.090 peak  2606 weight  1.00000E+00 volume  2.26217E+06 ppm1      4.571 ppm2      2.900
 ASSI { 2607}   (( segid    A and resid 34   and name  HB2 ))   (( segid    A and resid 56   and name  HB1 ))      5.099     3.379     1.020 peak  2607 weight  1.00000E+00 volume  3.36816E+06 ppm1      1.768 ppm2      4.264
 ASSI { 2608}   (( segid    A and resid 34   and name  HB1 ))   (( segid    A and resid 56   and name  HB1 ))      3.984     2.264     0.797 peak  2608 weight  1.00000E+00 volume  1.48187E+07 ppm1      2.015 ppm2      4.248
 ASSI { 2610}   (( segid    A and resid 56   and name  HB2 ))   (( segid    A and resid 34   and name  HG1 ))      5.836     4.116     1.164 peak  2610 weight  1.00000E+00 volume  1.49824E+06 ppm1      3.882 ppm2      2.763
 ASSI { 2613}   (( segid    A and resid 56   and name  HB2 ))   (  segid    A and resid 41   and name  HG1#)      5.827     4.107     1.165 peak  2613 weight  1.00000E+00 volume  4.53872E+06 ppm1      3.880 ppm2      0.601
 ASSI { 2616}   (( segid    A and resid 57   and name  HA  ))   (( segid    A and resid 42   and name  HN  ))      5.946     4.226     1.054 peak  2616 weight  1.00000E+00 volume  1.34062E+06 ppm1      5.006 ppm2      9.084
 ASSI { 2617}   (( segid    A and resid 57   and name  HB1 ))   (( segid    A and resid 58   and name  HA  ))      5.826     4.106     1.165 peak  2617 weight  1.00000E+00 volume  1.51368E+06 ppm1      3.253 ppm2      4.226
 ASSI { 2618}   (( segid    A and resid 57   and name  HA  ))   (( segid    A and resid 21   and name  HB2 ))      5.440     3.720     1.088 peak  2618 weight  1.00000E+00 volume  2.28540E+06 ppm1      5.014 ppm2      2.930
 ASSI { 2622}   (( segid    A and resid 59   and name  HB2 ))   (( segid    A and resid 40   and name  HB2 ))      5.711     3.991     1.142 peak  2622 weight  1.00000E+00 volume  1.70599E+06 ppm1      3.212 ppm2      2.691
 ASSI { 2623}   (( segid    A and resid 59   and name  HB2 ))   (( segid    A and resid 40   and name  HB1 ))      5.781     4.061     1.156 peak  2623 weight  1.00000E+00 volume  1.58667E+06 ppm1      3.217 ppm2      2.906
 ASSI { 2624}   (( segid    A and resid 59   and name  HB1 ))   (( segid    A and resid 40   and name  HB2 ))      6.065     4.345     0.935 peak  2624 weight  1.00000E+00 volume  1.18997E+06 ppm1      3.463 ppm2      2.701
 ASSI { 2625}   (( segid    A and resid 59   and name  HB2 ))   (( segid    A and resid 62   and name  HG2 ))      5.096     3.376     1.019 peak  2625 weight  1.00000E+00 volume  3.37967E+06 ppm1      3.208 ppm2      2.504
 ASSI { 2626}   (( segid    A and resid 59   and name  HB2 ))   (( segid    A and resid 62   and name  HB2 ))      5.442     3.722     1.088 peak  2626 weight  1.00000E+00 volume  2.28067E+06 ppm1      3.207 ppm2      1.977
 ASSI { 2627}   (( segid    A and resid 59   and name  HB2 ))   (( segid    A and resid 59   and name  HG  ))      5.933     4.213     1.067 peak  2627 weight  1.00000E+00 volume  1.35842E+06 ppm1      3.207 ppm2      1.049
 ASSI { 2628}   (( segid    A and resid 59   and name  HB1 ))   (  segid    A and resid 38   and name  HG2#)      6.812     5.092     0.188 peak  2628 weight  1.00000E+00 volume  8.05331E+05 ppm1      3.450 ppm2      1.043
 ASSI { 2629}   (  segid    A and resid 38   and name  HG2#)   (  segid    A and resid 40   and name  HD# )      7.000     5.280     0.000 peak  2629 weight  1.00000E+00 volume  1.75214E+06 ppm1      1.049 ppm2      6.956
 ASSI { 2632}   (( segid    A and resid 57   and name  HA  ))   (( segid    A and resid 58   and name  HB2 ))      5.153     3.433     1.031 peak  2632 weight  1.00000E+00 volume  3.16181E+06 ppm1      5.011 ppm2      1.670
 ASSI { 2637}   (( segid    A and resid 58   and name  HG1 ))   (( segid    A and resid 38   and name  HB  ))      5.373     3.653     1.075 peak  2637 weight  1.00000E+00 volume  2.38245E+06 ppm1      1.464 ppm2      4.639
 ASSI { 2639}   (( segid    A and resid 58   and name  HG1 ))   (  segid    A and resid 38   and name  HG2#)      4.565     2.845     0.913 peak  2639 weight  1.00000E+00 volume  5.73673E+06 ppm1      1.482 ppm2      1.025
 ASSI { 2644}   (( segid    A and resid 58   and name  HG2 ))   (( segid    A and resid 57   and name  HA  ))      6.686     4.966     0.314 peak  2644 weight  1.00000E+00 volume  6.62708E+05 ppm1      1.532 ppm2      4.995
 ASSI { 2645}   (  segid    A and resid 58   and name  HG# )   (( segid    A and resid 57   and name  HA  ))      6.823     5.103     0.177 peak  2645 weight  1.00000E+00 volume  1.17413E+06 ppm1      1.475 ppm2      4.982
 ASSI { 2648}   (( segid    A and resid 59   and name  HA  ))   (( segid    A and resid 21   and name  HB2 ))      5.356     3.636     1.240 peak  2648 weight  1.00000E+00 volume  2.50734E+06 ppm1      3.884 ppm2      2.909
 ASSI { 2650}   (( segid    A and resid 59   and name  HB1 ))   (  segid    A and resid 40   and name  HD# )      5.911     4.191     1.089 peak  2650 weight  1.00000E+00 volume  2.77641E+06 ppm1      3.454 ppm2      6.941
 ASSI { 2651}   (( segid    A and resid 59   and name  HB2 ))   (  segid    A and resid 40   and name  HD# )      5.962     4.242     1.038 peak  2651 weight  1.00000E+00 volume  2.63826E+06 ppm1      3.205 ppm2      6.943
 ASSI { 2652}   (( segid    A and resid 59   and name  HB2 ))   (( segid    A and resid 58   and name  HN  ))      6.818     5.098     0.182 peak  2652 weight  1.00000E+00 volume  5.89412E+05 ppm1      3.209 ppm2      8.463
 ASSI { 2654}   (( segid    A and resid 62   and name  HB1 ))   (( segid    A and resid 59   and name  HB2 ))      5.638     3.918     1.128 peak  2654 weight  1.00000E+00 volume  1.04482E+06 ppm1      2.078 ppm2      3.192
 ASSI { 2659}   (( segid    A and resid 59   and name  HB2 ))   (( segid    A and resid 62   and name  HG1 ))      5.156     3.436     1.031 peak  2659 weight  1.00000E+00 volume  3.15155E+06 ppm1      3.210 ppm2      2.550
 ASSI { 2664}   (( segid    A and resid 62   and name  HG2 ))   (  segid    A and resid 58   and name  HD# )      5.586     3.866     1.117 peak  2664 weight  1.00000E+00 volume  3.89770E+06 ppm1      2.499 ppm2      3.022
 ASSI { 2670}   (  segid    A and resid 61   and name  HD2#)   (( segid    A and resid 61   and name  HA  ))      4.659     2.939     0.932 peak  2670 weight  1.00000E+00 volume  1.73715E+07 ppm1      0.864 ppm2      4.236
 ASSI { 2672}   (  segid    A and resid 61   and name  HD2#)   (  segid    A and resid 60   and name  HB# )      6.229     4.509     0.771 peak  2672 weight  1.00000E+00 volume  1.82442E+07 ppm1      0.864 ppm2      1.341
 OR { 2672}
   (  segid    A and resid 61   and name  HD1#)   (  segid    A and resid 60   and name  HB# ) ASSI { 2679}   (  segid    A and resid 61   and name  HB# )   (( segid    A and resid 62   and name  HB1 ))      4.902     3.182     0.980 peak  2679 weight  1.00000E+00 volume  8.53810E+06 ppm1      1.589 ppm2      2.063
 ASSI { 2693}   (( segid    A and resid 64   and name  HB2 ))   (( segid    A and resid 64   and name  HB1 ))      2.763     1.043     0.553 peak  2693 weight  1.00000E+00 volume  1.09417E+08 ppm1      1.983 ppm2      2.124
 ASSI { 2700}   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 11   and name  HG  ))      5.718     3.998     1.144 peak  2700 weight  1.00000E+00 volume  1.69507E+06 ppm1      4.379 ppm2      0.699
 ASSI { 2701}   (( segid    A and resid 8    and name  HB1 ))   (( segid    A and resid 10   and name  HH2 ))      5.628     3.908     1.126 peak  2701 weight  1.00000E+00 volume  1.86288E+06 ppm1      0.401 ppm2      7.288
 ASSI { 2703}   (( segid    A and resid 8    and name  HG2 ))   (  segid    A and resid 11   and name  HD1#)      5.405     3.685     1.081 peak  2703 weight  1.00000E+00 volume  1.42527E+07 ppm1      1.763 ppm2      0.601
 OR { 2703}
   (( segid    A and resid 8    and name  HG2 ))   (  segid    A and resid 11   and name  HD2#) ASSI { 2704}   (( segid    A and resid 8    and name  HG2 ))   (( segid    A and resid 11   and name  HG  ))      4.429     2.709     0.886 peak  2704 weight  1.00000E+00 volume  7.84370E+06 ppm1      1.763 ppm2      0.675
 ASSI { 2705}   (( segid    A and resid 8    and name  HG1 ))   (( segid    A and resid 11   and name  HG  ))      3.791     2.071     0.758 peak  2705 weight  1.00000E+00 volume  7.49141E+06 ppm1      1.407 ppm2      0.676
 ASSI { 2706}   (( segid    A and resid 8    and name  HG1 ))   (( segid    A and resid 7    and name  HB1 ))      4.419     2.699     0.884 peak  2706 weight  1.00000E+00 volume  2.87117E+06 ppm1      1.407 ppm2      2.923
 ASSI { 2709}   (( segid    A and resid 8    and name  HD2 ))   (( segid    A and resid 11   and name  HG  ))      5.018     3.298     1.004 peak  2709 weight  1.00000E+00 volume  3.70812E+06 ppm1      3.676 ppm2      0.689
 ASSI { 2712}   (( segid    A and resid 9    and name  HB2 ))   (( segid    A and resid 51   and name  HN  ))      6.061     4.341     0.939 peak  2712 weight  1.00000E+00 volume  1.19423E+06 ppm1      3.119 ppm2      7.297
 ASSI { 2715}   (( segid    A and resid 51   and name  HD1 ))   (( segid    A and resid 51   and name  HB2 ))      4.063     2.343     0.813 peak  2715 weight  1.00000E+00 volume  1.18238E+07 ppm1      3.279 ppm2      1.890
 ASSI { 2731}   (( segid    A and resid 28   and name  HA  ))   (( segid    A and resid 31   and name  HN  ))      4.436     2.716     0.887 peak  2731 weight  1.00000E+00 volume  6.67494E+06 ppm1      3.757 ppm2      7.149
 ASSI { 2732}   (  segid    A and resid 12   and name  HG2#)   (  segid    A and resid 7    and name  HD# )      6.601     4.881     0.399 peak  2732 weight  1.00000E+00 volume  4.29661E+06 ppm1      0.937 ppm2      7.152
 ASSI { 2733}   (  segid    A and resid 12   and name  HG2#)   (  segid    A and resid 7    and name  HE# )      4.771     3.051     0.954 peak  2733 weight  1.00000E+00 volume  3.01142E+07 ppm1      0.936 ppm2      7.270
 ASSI { 2734}   (  segid    A and resid 12   and name  HG1#)   (  segid    A and resid 7    and name  HE# )      5.250     3.530     1.050 peak  2734 weight  1.00000E+00 volume  1.69739E+07 ppm1      0.826 ppm2      7.268
 ASSI { 2735}   (  segid    A and resid 12   and name  HG1#)   (  segid    A and resid 7    and name  HD# )      5.214     3.494     1.043 peak  2735 weight  1.00000E+00 volume  1.76902E+07 ppm1      0.827 ppm2      7.146
 ASSI { 2736}   (( segid    A and resid 10   and name  HA  ))   (  segid    A and resid 15   and name  HE# )      5.368     3.648     1.074 peak  2736 weight  1.00000E+00 volume  4.94874E+06 ppm1      4.511 ppm2      7.384
 ASSI { 2741}   (  segid    A and resid 16   and name  HG2#)   (( segid    A and resid 44   and name  HA  ))      5.138     3.418     1.028 peak  2741 weight  1.00000E+00 volume  2.36908E+06 ppm1      0.834 ppm2      5.167
 ASSI { 2745}   (( segid    A and resid 43   and name  HB2 ))   (( segid    A and resid 43   and name  HB1 ))      2.856     1.136     0.571 peak  2745 weight  1.00000E+00 volume  1.09213E+08 ppm1      1.594 ppm2      1.644
 ASSI { 2752}   (( segid    A and resid 44   and name  HG11))   (  segid    A and resid 44   and name  HD1#)      2.786     1.066     0.557 peak  2752 weight  1.00000E+00 volume  1.21453E+08 ppm1      0.668 ppm2      0.601
 ASSI { 2756}   (  segid    A and resid 53   and name  HG# )   (( segid    A and resid 44   and name  HG11))      5.080     3.360     1.016 peak  2756 weight  1.00000E+00 volume  6.89104E+06 ppm1      2.344 ppm2      0.670
 ASSI { 2761}   (( segid    A and resid 44   and name  HB  ))   (  segid    A and resid 17   and name  HG1#)      4.342     2.622     0.868 peak  2761 weight  1.00000E+00 volume  5.79330E+06 ppm1      1.920 ppm2      0.806
 ASSI { 2768}   (( segid    A and resid 55   and name  HB1 ))   (( segid    A and resid 42   and name  HB1 ))      4.566     2.846     0.913 peak  2768 weight  1.00000E+00 volume  3.09172E+06 ppm1      1.242 ppm2      1.882
 ASSI { 2775}   (( segid    A and resid 57   and name  HB2 ))   (( segid    A and resid 42   and name  HB2 ))      4.534     2.814     1.166 peak  2775 weight  1.00000E+00 volume  6.81271E+06 ppm1      3.119 ppm2      2.174
 ASSI { 2778}   (( segid    A and resid 59   and name  HA  ))   (( segid    A and resid 59   and name  HG  ))      5.221     3.501     1.044 peak  2778 weight  1.00000E+00 volume  2.92390E+06 ppm1      3.876 ppm2      1.041
 ASSI { 2779}   (( segid    A and resid 57   and name  HB2 ))   (( segid    A and resid 59   and name  HG  ))      5.706     3.986     1.141 peak  2779 weight  1.00000E+00 volume  1.71596E+06 ppm1      3.117 ppm2      1.014
 ASSI { 2780}   (( segid    A and resid 57   and name  HB1 ))   (( segid    A and resid 59   and name  HG  ))      6.040     4.320     0.960 peak  2780 weight  1.00000E+00 volume  1.21963E+06 ppm1      3.249 ppm2      1.036
 ASSI { 2786}   (( segid    A and resid 55   and name  HB2 ))   (  segid    A and resid 44   and name  HG2#)      5.093     3.373     1.019 peak  2786 weight  1.00000E+00 volume  1.01801E+07 ppm1      0.995 ppm2      0.672
 ASSI { 2787}   (( segid    A and resid 55   and name  HB1 ))   (( segid    A and resid 44   and name  HG11))      4.189     2.469     0.838 peak  2787 weight  1.00000E+00 volume  1.09648E+07 ppm1      1.242 ppm2      0.669
 ASSI { 2795}   (( segid    A and resid 45   and name  HB  ))   (  segid    A and resid 44   and name  HD1#)      6.990     5.270     0.010 peak  2795 weight  1.00000E+00 volume  1.52298E+06 ppm1      3.687 ppm2      0.607
 ASSI { 2797}   (( segid    A and resid 43   and name  HB2 ))   (( segid    A and resid 19   and name  HG2 ))      3.652     1.932     0.730 peak  2797 weight  1.00000E+00 volume  2.49565E+07 ppm1      1.591 ppm2      2.408
 ASSI { 2798}   (( segid    A and resid 43   and name  HB1 ))   (( segid    A and resid 19   and name  HG2 ))      3.760     2.040     0.752 peak  2798 weight  1.00000E+00 volume  2.09706E+07 ppm1      1.650 ppm2      2.408
 ASSI { 2800}   (( segid    A and resid 43   and name  HB1 ))   (( segid    A and resid 19   and name  HB1 ))      3.808     2.088     0.762 peak  2800 weight  1.00000E+00 volume  1.94135E+07 ppm1      1.647 ppm2      2.094
 ASSI { 2807}   (( segid    A and resid 19   and name  HG2 ))   (  segid    A and resid 18   and name  HB# )      5.150     3.430     1.030 peak  2807 weight  1.00000E+00 volume  4.71423E+06 ppm1      2.411 ppm2      1.216
 ASSI { 2811}   (( segid    A and resid 19   and name  HB1 ))   (  segid    A and resid 43   and name  HD# )      4.621     2.901     0.924 peak  2811 weight  1.00000E+00 volume  6.96770E+06 ppm1      2.095 ppm2      1.350
 ASSI { 2817}   (( segid    A and resid 51   and name  HB1 ))   (( segid    A and resid 51   and name  HB2 ))      2.527     0.807     0.505 peak  2817 weight  1.00000E+00 volume  2.23392E+08 ppm1      1.817 ppm2      1.888
 ASSI { 2819}   (( segid    A and resid 51   and name  HG2 ))   (( segid    A and resid 51   and name  HB2 ))      3.328     1.608     0.666 peak  2819 weight  1.00000E+00 volume  4.35861E+07 ppm1      1.665 ppm2      1.889
 ASSI { 2822}   (( segid    A and resid 51   and name  HB2 ))   (( segid    A and resid 46   and name  HB1 ))      4.769     3.049     0.954 peak  2822 weight  1.00000E+00 volume  2.49219E+06 ppm1      1.887 ppm2      2.745
 ASSI { 2825}   (( segid    A and resid 46   and name  HB1 ))   (( segid    A and resid 51   and name  HD2 ))      4.995     3.275     0.999 peak  2825 weight  1.00000E+00 volume  1.57732E+06 ppm1      2.743 ppm2      3.228
 ASSI { 2829}   (( segid    A and resid 13   and name  HB2 ))   (( segid    A and resid 13   and name  HG1 ))      3.530     1.810     0.706 peak  2829 weight  1.00000E+00 volume  2.27202E+07 ppm1      2.630 ppm2      2.486
 ASSI { 2830}   (( segid    A and resid 13   and name  HB2 ))   (( segid    A and resid 9    and name  HB2 ))      6.127     4.407     0.873 peak  2830 weight  1.00000E+00 volume  1.11923E+06 ppm1      2.634 ppm2      3.107
 ASSI { 2834}   (( segid    A and resid 9    and name  HB1 ))   (( segid    A and resid 13   and name  HB2 ))      5.300     3.580     1.060 peak  2834 weight  1.00000E+00 volume  2.67153E+06 ppm1      3.651 ppm2      2.625
 ASSI { 2837}   (( segid    A and resid 8    and name  HB2 ))   (( segid    A and resid 8    and name  HD2 ))      3.615     1.895     0.723 peak  2837 weight  1.00000E+00 volume  5.56451E+06 ppm1      1.727 ppm2      3.646
 ASSI { 2847}   (  segid    A and resid 45   and name  HG2#)   (( segid    A and resid 45   and name  HN  ))      4.962     3.242     0.992 peak  2847 weight  1.00000E+00 volume  1.19081E+07 ppm1      0.983 ppm2      9.006
 ASSI { 2848}   (( segid    A and resid 7    and name  HB2 ))   (( segid    A and resid 8    and name  HG2 ))      4.288     2.568     0.858 peak  2848 weight  1.00000E+00 volume  9.90688E+05 ppm1      2.746 ppm2      1.752
 ASSI { 2849}   (( segid    A and resid 8    and name  HG1 ))   (( segid    A and resid 7    and name  HB2 ))      4.851     3.131     0.970 peak  2849 weight  1.00000E+00 volume  2.06900E+06 ppm1      1.407 ppm2      2.721
 ASSI { 2853}   (( segid    A and resid 7    and name  HB2 ))   (  segid    A and resid 7    and name  HE# )      6.442     4.722     0.558 peak  2853 weight  1.00000E+00 volume  1.65661E+06 ppm1      2.739 ppm2      7.280
 ASSI { 2858}   (  segid    A and resid 12   and name  HG1#)   (( segid    A and resid 7    and name  HB2 ))      4.439     2.719     0.888 peak  2858 weight  1.00000E+00 volume  2.32112E+07 ppm1      0.824 ppm2      2.735
 ASSI { 2861}   (  segid    A and resid 12   and name  HG2#)   (( segid    A and resid 7    and name  HB2 ))      5.628     3.908     1.126 peak  2861 weight  1.00000E+00 volume  5.59360E+06 ppm1      0.939 ppm2      2.733
 ASSI { 2865}   (( segid    A and resid 8    and name  HD2 ))   (  segid    A and resid 7    and name  HE# )      6.314     4.594     0.686 peak  2865 weight  1.00000E+00 volume  1.86932E+06 ppm1      3.676 ppm2      7.271
 ASSI { 2866}   (( segid    A and resid 8    and name  HD1 ))   (  segid    A and resid 7    and name  HE# )      6.744     5.024     0.256 peak  2866 weight  1.00000E+00 volume  1.25916E+06 ppm1      3.233 ppm2      7.263
 ASSI { 2870}   (  segid    A and resid 11   and name  HD1#)   (( segid    A and resid 11   and name  HG  ))      3.084     1.364     0.617 peak  2870 weight  1.00000E+00 volume  2.06619E+08 ppm1      0.597 ppm2      0.684
 ASSI { 2878}   (  segid    A and resid 53   and name  HG# )   (( segid    A and resid 8    and name  HA  ))      5.513     3.793     1.103 peak  2878 weight  1.00000E+00 volume  4.21714E+06 ppm1      2.350 ppm2      4.369
 ASSI { 2880}   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 10   and name  HD1 ))      5.754     4.034     1.151 peak  2880 weight  1.00000E+00 volume  1.63103E+06 ppm1      4.378 ppm2      6.823
 ASSI { 2881}   (( segid    A and resid 8    and name  HA  ))   (( segid    A and resid 11   and name  HN  ))      6.190     4.470     0.810 peak  2881 weight  1.00000E+00 volume  1.05313E+06 ppm1      4.379 ppm2      6.975
 ASSI { 2883}   (( segid    A and resid 8    and name  HB2 ))   (( segid    A and resid 8    and name  HG2 ))      2.442     0.722     0.488 peak  2883 weight  1.00000E+00 volume  2.79070E+08 ppm1      1.724 ppm2      1.760
 ASSI { 2884}   (( segid    A and resid 8    and name  HB1 ))   (  segid    A and resid 53   and name  HG# )      6.076     4.356     0.924 peak  2884 weight  1.00000E+00 volume  1.59928E+06 ppm1      0.405 ppm2      2.342
 ASSI { 2886}   (( segid    A and resid 8    and name  HB2 ))   (( segid    A and resid 11   and name  HN  ))      4.997     3.277     0.999 peak  2886 weight  1.00000E+00 volume  1.16388E+06 ppm1      1.721 ppm2      6.994
 ASSI { 2887}   (( segid    A and resid 11   and name  HG  ))   (  segid    A and resid 11   and name  HD1#)      3.827     2.107     0.765 peak  2887 weight  1.00000E+00 volume  1.13060E+08 ppm1      0.702 ppm2      0.604
 OR { 2887}
   (( segid    A and resid 11   and name  HG  ))   (  segid    A and resid 11   and name  HD2#) ASSI { 2894}   (  segid    A and resid 12   and name  HG1#)   (( segid    A and resid 9    and name  HA  ))      5.048     3.328     1.010 peak  2894 weight  1.00000E+00 volume  1.07418E+07 ppm1      0.826 ppm2      4.257
 ASSI { 2896}   (( segid    A and resid 13   and name  HB2 ))   (( segid    A and resid 9    and name  HA  ))      5.498     3.778     1.100 peak  2896 weight  1.00000E+00 volume  2.14434E+06 ppm1      2.633 ppm2      4.263
 ASSI { 2899}   (( segid    A and resid 13   and name  HG1 ))   (( segid    A and resid 13   and name  HG2 ))      2.865     1.145     0.573 peak  2899 weight  1.00000E+00 volume  8.92052E+07 ppm1      2.503 ppm2      2.394
 ASSI { 2903}   (( segid    A and resid 55   and name  HB1 ))   (( segid    A and resid 10   and name  HE1 ))      4.821     3.101     0.964 peak  2903 weight  1.00000E+00 volume  1.43278E+06 ppm1      1.246 ppm2     10.663
 ASSI { 2904}   (( segid    A and resid 55   and name  HB1 ))   (( segid    A and resid 42   and name  HN  ))      4.875     3.155     0.975 peak  2904 weight  1.00000E+00 volume  1.99711E+06 ppm1      1.241 ppm2      9.099
 ASSI { 2905}   (( segid    A and resid 55   and name  HB2 ))   (( segid    A and resid 42   and name  HN  ))      4.966     3.246     0.993 peak  2905 weight  1.00000E+00 volume  8.72502E+05 ppm1      0.999 ppm2      9.079
 ASSI { 2907}   (( segid    A and resid 9    and name  HB2 ))   (( segid    A and resid 13   and name  HG1 ))      5.282     3.562     1.056 peak  2907 weight  1.00000E+00 volume  2.72775E+06 ppm1      3.112 ppm2      2.504
 ASSI { 2915}   (( segid    A and resid 9    and name  HB1 ))   (( segid    A and resid 13   and name  HN  ))      5.950     4.230     1.050 peak  2915 weight  1.00000E+00 volume  1.18943E+06 ppm1      3.646 ppm2      8.192
 ASSI { 2916}   (( segid    A and resid 10   and name  HB1 ))   (( segid    A and resid 11   and name  HN  ))      5.090     3.370     1.018 peak  2916 weight  1.00000E+00 volume  2.23861E+06 ppm1      2.163 ppm2      6.981
 ASSI { 2918}   (( segid    A and resid 11   and name  HA  ))   (( segid    A and resid 12   and name  HN  ))      3.976     2.256     0.795 peak  2918 weight  1.00000E+00 volume  1.11088E+07 ppm1      4.215 ppm2      7.328
 ASSI { 2921}   (  segid    A and resid 11   and name  HD1#)   (( segid    A and resid 11   and name  HN  ))      5.448     3.728     1.090 peak  2921 weight  1.00000E+00 volume  6.79335E+06 ppm1      0.598 ppm2      6.995
 ASSI { 2922}   (( segid    A and resid 11   and name  HA  ))   (( segid    A and resid 13   and name  HN  ))      3.549     1.829     0.710 peak  2922 weight  1.00000E+00 volume  2.96152E+07 ppm1      4.215 ppm2      8.186
 ASSI { 2924}   (( segid    A and resid 44   and name  HG11))   (( segid    A and resid 53   and name  HN  ))      4.307     2.587     0.861 peak  2924 weight  1.00000E+00 volume  1.54362E+06 ppm1      0.675 ppm2      8.684
 ASSI { 2926}   (( segid    A and resid 11   and name  HG  ))   (( segid    A and resid 12   and name  HN  ))      5.225     3.505     1.045 peak  2926 weight  1.00000E+00 volume  2.47304E+06 ppm1      0.701 ppm2      7.331
 ASSI { 2927}   (  segid    A and resid 11   and name  HD2#)   (( segid    A and resid 8    and name  HB1 ))      5.003     3.283     1.001 peak  2927 weight  1.00000E+00 volume  1.13340E+07 ppm1      0.613 ppm2      0.413
 ASSI { 2929}   (  segid    A and resid 11   and name  HD2#)   (( segid    A and resid 8    and name  HG2 ))      4.733     3.013     0.947 peak  2929 weight  1.00000E+00 volume  1.58133E+07 ppm1      0.617 ppm2      1.751
 ASSI { 2930}   (  segid    A and resid 11   and name  HD2#)   (( segid    A and resid 8    and name  HG1 ))      4.188     2.468     0.838 peak  2930 weight  1.00000E+00 volume  3.29082E+07 ppm1      0.616 ppm2      1.395
 ASSI { 2931}   (  segid    A and resid 11   and name  HD1#)   (( segid    A and resid 8    and name  HG1 ))      3.810     2.090     0.762 peak  2931 weight  1.00000E+00 volume  5.80910E+07 ppm1      0.598 ppm2      1.395
 ASSI { 2932}   (  segid    A and resid 11   and name  HD1#)   (( segid    A and resid 8    and name  HB2 ))      5.080     3.360     1.016 peak  2932 weight  1.00000E+00 volume  1.03346E+07 ppm1      0.599 ppm2      1.722
 ASSI { 2933}   (  segid    A and resid 11   and name  HD1#)   (( segid    A and resid 8    and name  HG2 ))      5.195     3.475     1.039 peak  2933 weight  1.00000E+00 volume  9.03995E+06 ppm1      0.599 ppm2      1.747
 ASSI { 2938}   (( segid    A and resid 8    and name  HB1 ))   (  segid    A and resid 11   and name  HB# )      4.543     2.823     0.909 peak  2938 weight  1.00000E+00 volume  1.34715E+07 ppm1      0.401 ppm2      1.365
 ASSI { 2939}   (  segid    A and resid 11   and name  HB# )   (( segid    A and resid 8    and name  HG2 ))      3.658     1.938     0.732 peak  2939 weight  1.00000E+00 volume  3.12853E+06 ppm1      1.371 ppm2      1.750
 ASSI { 2941}   (  segid    A and resid 11   and name  HB# )   (( segid    A and resid 8    and name  HG1 ))      2.782     1.062     0.556 peak  2941 weight  1.00000E+00 volume  2.55751E+08 ppm1      1.369 ppm2      1.404
 ASSI { 2944}   (  segid    A and resid 11   and name  HD2#)   (( segid    A and resid 11   and name  HN  ))      5.173     3.453     1.035 peak  2944 weight  1.00000E+00 volume  9.27585E+06 ppm1      0.616 ppm2      6.993
 ASSI { 2950}   (( segid    A and resid 6    and name  HA  ))   (( segid    A and resid 7    and name  HA  ))      4.289     2.569     0.858 peak  2950 weight  1.00000E+00 volume  9.51043E+06 ppm1      4.196 ppm2      4.740
 ASSI { 2951}   (( segid    A and resid 6    and name  HA  ))   (  segid    A and resid 7    and name  HD# )      5.157     3.437     1.031 peak  2951 weight  1.00000E+00 volume  6.29752E+06 ppm1      4.195 ppm2      7.143
 ASSI { 2956}   (  segid    A and resid 11   and name  HB# )   (( segid    A and resid 10   and name  HN  ))      5.146     3.426     1.029 peak  2956 weight  1.00000E+00 volume  1.56102E+06 ppm1      1.366 ppm2      6.692
 ASSI { 2958}   (  segid    A and resid 11   and name  HD2#)   (( segid    A and resid 13   and name  HN  ))      6.922     5.202     0.078 peak  2958 weight  1.00000E+00 volume  1.61520E+06 ppm1      0.613 ppm2      8.193
 ASSI { 2959}   (  segid    A and resid 11   and name  HD2#)   (( segid    A and resid 12   and name  HN  ))      5.054     3.334     1.011 peak  2959 weight  1.00000E+00 volume  1.06564E+07 ppm1      0.613 ppm2      7.321
 ASSI { 2960}   (  segid    A and resid 11   and name  HD1#)   (( segid    A and resid 12   and name  HN  ))      5.599     3.879     1.120 peak  2960 weight  1.00000E+00 volume  5.76978E+06 ppm1      0.600 ppm2      7.325
 ASSI { 2961}   (( segid    A and resid 44   and name  HG11))   (  segid    A and resid 15   and name  HD# )      5.484     3.764     1.097 peak  2961 weight  1.00000E+00 volume  4.35340E+06 ppm1      0.675 ppm2      7.222
 ASSI { 2962}   (( segid    A and resid 55   and name  HA  ))   (( segid    A and resid 10   and name  HH2 ))      5.252     3.532     1.050 peak  2962 weight  1.00000E+00 volume  2.82066E+06 ppm1      4.632 ppm2      7.294
 ASSI { 2963}   (( segid    A and resid 55   and name  HA  ))   (( segid    A and resid 10   and name  HZ2 ))      5.401     3.681     1.080 peak  2963 weight  1.00000E+00 volume  2.38655E+06 ppm1      4.634 ppm2      7.573
 ASSI { 2965}   (  segid    A and resid 44   and name  HD1#)   (( segid    A and resid 9    and name  HB2 ))      6.824     5.104     0.176 peak  2965 weight  1.00000E+00 volume  1.40474E+06 ppm1      0.606 ppm2      3.102
 ASSI { 2967}   (( segid    A and resid 8    and name  HG2 ))   (( segid    A and resid 10   and name  HH2 ))      5.516     3.796     1.103 peak  2967 weight  1.00000E+00 volume  2.10315E+06 ppm1      1.762 ppm2      7.276
 ASSI { 2968}   (( segid    A and resid 8    and name  HG1 ))   (( segid    A and resid 10   and name  HH2 ))      5.628     3.908     1.126 peak  2968 weight  1.00000E+00 volume  1.86431E+06 ppm1      1.408 ppm2      7.276
 ASSI { 2971}   (( segid    A and resid 13   and name  HA  ))   (( segid    A and resid 13   and name  HN  ))      3.112     1.392     0.622 peak  2971 weight  1.00000E+00 volume  6.51747E+07 ppm1      4.749 ppm2      8.188
 ASSI { 2974}   (( segid    A and resid 13   and name  HB1 ))   (  segid    A and resid 12   and name  HG2#)      5.480     3.760     1.096 peak  2974 weight  1.00000E+00 volume  4.50235E+06 ppm1      2.117 ppm2      0.937
 ASSI { 2979}   (( segid    A and resid 13   and name  HG2 ))   (( segid    A and resid 13   and name  HN  ))      3.785     2.065     0.757 peak  2979 weight  1.00000E+00 volume  2.01567E+07 ppm1      2.389 ppm2      8.195
 ASSI { 2980}   (( segid    A and resid 13   and name  HB2 ))   (( segid    A and resid 14   and name  HN  ))      3.407     1.687     0.681 peak  2980 weight  1.00000E+00 volume  1.66503E+07 ppm1      2.629 ppm2      8.204
 ASSI { 2981}   (( segid    A and resid 13   and name  HG2 ))   (( segid    A and resid 14   and name  HN  ))      3.785     2.065     0.757 peak  2981 weight  1.00000E+00 volume  2.01567E+07 ppm1      2.390 ppm2      8.207
 ASSI { 2982}   (( segid    A and resid 13   and name  HG1 ))   (( segid    A and resid 14   and name  HN  ))      4.117     2.397     0.823 peak  2982 weight  1.00000E+00 volume  1.21620E+07 ppm1      2.508 ppm2      8.211
 ASSI { 2983}   (( segid    A and resid 13   and name  HB1 ))   (( segid    A and resid 14   and name  HN  ))      3.591     1.871     0.718 peak  2983 weight  1.00000E+00 volume  1.70625E+07 ppm1      2.114 ppm2      8.207
 ASSI { 2984}   (( segid    A and resid 9    and name  HB2 ))   (( segid    A and resid 13   and name  HN  ))      6.227     4.507     0.773 peak  2984 weight  1.00000E+00 volume  1.01564E+06 ppm1      3.104 ppm2      8.187
 ASSI { 2988}   (( segid    A and resid 14   and name  HB1 ))   (( segid    A and resid 14   and name  HB2 ))      2.589     0.869     0.518 peak  2988 weight  1.00000E+00 volume  1.96565E+08 ppm1      1.926 ppm2      2.063
 ASSI { 2992}   (( segid    A and resid 14   and name  HB2 ))   (( segid    A and resid 15   and name  HN  ))      3.342     1.622     0.668 peak  2992 weight  1.00000E+00 volume  1.40312E+07 ppm1      2.057 ppm2      8.099
 ASSI { 2993}   (( segid    A and resid 14   and name  HB1 ))   (( segid    A and resid 15   and name  HN  ))      3.817     2.097     0.763 peak  2993 weight  1.00000E+00 volume  1.32711E+07 ppm1      1.926 ppm2      8.095
 ASSI { 2994}   (( segid    A and resid 14   and name  HA  ))   (( segid    A and resid 14   and name  HN  ))      3.431     1.711     0.686 peak  2994 weight  1.00000E+00 volume  2.24463E+07 ppm1      4.386 ppm2      8.197
 ASSI { 2995}   (( segid    A and resid 14   and name  HA  ))   (  segid    A and resid 15   and name  HE# )      6.300     4.580     0.700 peak  2995 weight  1.00000E+00 volume  1.89414E+06 ppm1      4.386 ppm2      7.421
 ASSI { 2996}   (( segid    A and resid 14   and name  HG2 ))   (( segid    A and resid 15   and name  HN  ))      4.429     2.709     0.886 peak  2996 weight  1.00000E+00 volume  5.96841E+06 ppm1      2.291 ppm2      8.096
 ASSI { 2997}   (( segid    A and resid 14   and name  HG1 ))   (( segid    A and resid 15   and name  HN  ))      4.527     2.807     0.905 peak  2997 weight  1.00000E+00 volume  6.26225E+06 ppm1      2.395 ppm2      8.096
 ASSI { 3002}   (( segid    A and resid 45   and name  HB  ))   (( segid    A and resid 15   and name  HA  ))      5.332     3.612     1.066 peak  3002 weight  1.00000E+00 volume  1.46920E+06 ppm1      3.684 ppm2      5.571
 ASSI { 3008}   (( segid    A and resid 16   and name  HB  ))   (( segid    A and resid 15   and name  HA  ))      4.867     3.147     0.973 peak  3008 weight  1.00000E+00 volume  3.69951E+05 ppm1      2.024 ppm2      5.592
 ASSI { 3012}   (( segid    A and resid 15   and name  HA  ))   (( segid    A and resid 45   and name  HN  ))      3.731     2.011     0.746 peak  3012 weight  1.00000E+00 volume  2.19580E+07 ppm1      5.582 ppm2      9.021
 ASSI { 3013}   (  segid    A and resid 15   and name  HB# )   (( segid    A and resid 47   and name  HN  ))      4.487     2.767     0.897 peak  3013 weight  1.00000E+00 volume  8.32609E+06 ppm1      2.925 ppm2      9.036
 ASSI { 3015}   (( segid    A and resid 55   and name  HE2 ))   (  segid    A and resid 15   and name  HD# )      5.855     4.135     1.145 peak  3015 weight  1.00000E+00 volume  2.93993E+06 ppm1      1.617 ppm2      7.210
 ASSI { 3017}   (  segid    A and resid 17   and name  HG1#)   (  segid    A and resid 15   and name  HE# )      6.643     4.923     0.357 peak  3017 weight  1.00000E+00 volume  4.13607E+06 ppm1      0.808 ppm2      7.377
 ASSI { 3018}   (( segid    A and resid 16   and name  HA  ))   (  segid    A and resid 44   and name  HG2#)      5.603     3.883     1.121 peak  3018 weight  1.00000E+00 volume  3.37285E+06 ppm1      4.504 ppm2      0.672
 ASSI { 3021}   (  segid    A and resid 45   and name  HG2#)   (( segid    A and resid 16   and name  HN  ))      5.420     3.700     1.084 peak  3021 weight  1.00000E+00 volume  7.00944E+06 ppm1      0.987 ppm2      8.454
 ASSI { 3024}   (  segid    A and resid 16   and name  HG2#)   (  segid    A and resid 16   and name  HG1#)      2.666     0.946     0.533 peak  3024 weight  1.00000E+00 volume  9.53293E+08 ppm1      0.834 ppm2      0.866
 ASSI { 3027}   (  segid    A and resid 16   and name  HG2#)   (( segid    A and resid 17   and name  HA  ))      4.241     2.521     0.848 peak  3027 weight  1.00000E+00 volume  4.52157E+06 ppm1      0.835 ppm2      4.065
 ASSI { 3041}   (( segid    A and resid 42   and name  HB2 ))   (( segid    A and resid 42   and name  HG1 ))      2.772     1.052     0.554 peak  3041 weight  1.00000E+00 volume  7.27045E+07 ppm1      2.194 ppm2      2.139
 ASSI { 3042}   (( segid    A and resid 42   and name  HB2 ))   (( segid    A and resid 42   and name  HG2 ))      2.784     1.064     0.557 peak  3042 weight  1.00000E+00 volume  7.41830E+07 ppm1      2.194 ppm2      2.221
 ASSI { 3055}   (  segid    A and resid 43   and name  HD# )   (( segid    A and resid 19   and name  HG2 ))      4.663     2.943     0.933 peak  3055 weight  1.00000E+00 volume  1.15205E+07 ppm1      1.354 ppm2      2.424
 ASSI { 3058}   (( segid    A and resid 20   and name  HB1 ))   (( segid    A and resid 20   and name  HG1 ))      3.695     1.975     0.739 peak  3058 weight  1.00000E+00 volume  2.32602E+07 ppm1      2.016 ppm2      2.338
 ASSI { 3059}   (( segid    A and resid 20   and name  HB2 ))   (( segid    A and resid 20   and name  HG1 ))      3.476     1.756     0.695 peak  3059 weight  1.00000E+00 volume  3.35770E+07 ppm1      2.090 ppm2      2.339
 ASSI { 3062}   (  segid    A and resid 17   and name  HG1#)   (( segid    A and resid 20   and name  HB1 ))      3.670     1.950     0.734 peak  3062 weight  1.00000E+00 volume  7.27648E+07 ppm1      0.807 ppm2      2.019
 ASSI { 3070}   (( segid    A and resid 21   and name  HA  ))   (( segid    A and resid 40   and name  HA  ))      4.706     2.986     0.941 peak  3070 weight  1.00000E+00 volume  5.44867E+06 ppm1      4.388 ppm2      5.160
 ASSI { 3080}   (( segid    A and resid 40   and name  HA  ))   (( segid    A and resid 22   and name  HA  ))      2.766     1.046     1.034 peak  3080 weight  1.00000E+00 volume  1.32343E+08 ppm1      5.167 ppm2      5.138
 ASSI { 3095}   (( segid    A and resid 23   and name  HD2 ))   (( segid    A and resid 23   and name  HD1 ))      2.721     1.001     0.544 peak  3095 weight  1.00000E+00 volume  1.45952E+08 ppm1      3.721 ppm2      3.777
 ASSI { 3102}   (( segid    A and resid 23   and name  HA  ))   (  segid    A and resid 40   and name  HE# )      5.325     3.605     1.065 peak  3102 weight  1.00000E+00 volume  5.19213E+06 ppm1      3.783 ppm2      6.857
 ASSI { 3103}   (  segid    A and resid 23   and name  HB# )   (  segid    A and resid 40   and name  HD# )      6.144     4.424     0.856 peak  3103 weight  1.00000E+00 volume  4.40286E+06 ppm1      1.559 ppm2      6.962
 ASSI { 3104}   (( segid    A and resid 40   and name  HA  ))   (  segid    A and resid 40   and name  HE# )      4.966     3.246     0.993 peak  3104 weight  1.00000E+00 volume  7.90185E+06 ppm1      5.166 ppm2      6.860
 ASSI { 3106}   (( segid    A and resid 23   and name  HD2 ))   (( segid    A and resid 22   and name  HN  ))      4.795     3.075     0.959 peak  3106 weight  1.00000E+00 volume  4.01000E+06 ppm1      3.723 ppm2      8.923
 ASSI { 3107}   (( segid    A and resid 23   and name  HG2 ))   (  segid    A and resid 40   and name  HD# )      5.868     4.148     1.132 peak  3107 weight  1.00000E+00 volume  2.90163E+06 ppm1      1.846 ppm2      6.964
 ASSI { 3108}   (( segid    A and resid 23   and name  HG1 ))   (  segid    A and resid 40   and name  HD# )      6.931     5.211     0.069 peak  3108 weight  1.00000E+00 volume  1.06796E+06 ppm1      2.009 ppm2      6.968
 ASSI { 3113}   (( segid    A and resid 40   and name  HA  ))   (  segid    A and resid 41   and name  HG1#)      4.641     2.921     0.928 peak  3113 weight  1.00000E+00 volume  1.00747E+07 ppm1      5.167 ppm2      0.608
 ASSI { 3115}   (( segid    A and resid 28   and name  HA  ))   (( segid    A and resid 24   and name  HA  ))      4.192     2.472     0.838 peak  3115 weight  1.00000E+00 volume  3.72133E+06 ppm1      3.759 ppm2      4.396
 ASSI { 3118}   (( segid    A and resid 28   and name  HB1 ))   (( segid    A and resid 24   and name  HA  ))      3.908     2.188     0.782 peak  3118 weight  1.00000E+00 volume  6.76726E+06 ppm1      1.891 ppm2      4.391
 ASSI { 3121}   (( segid    A and resid 24   and name  HB1 ))   (  segid    A and resid 28   and name  HG# )      4.756     3.036     0.951 peak  3121 weight  1.00000E+00 volume  4.15133E+06 ppm1      3.688 ppm2      1.465
 ASSI { 3123}   (( segid    A and resid 24   and name  HB2 ))   (  segid    A and resid 28   and name  HG# )      4.043     2.323     0.809 peak  3123 weight  1.00000E+00 volume  7.02796E+06 ppm1      2.641 ppm2      1.455
 ASSI { 3129}   (( segid    A and resid 24   and name  HA  ))   (( segid    A and resid 24   and name  HN  ))      3.670     1.950     0.734 peak  3129 weight  1.00000E+00 volume  2.13788E+07 ppm1      4.406 ppm2      8.745
 ASSI { 3131}   (( segid    A and resid 24   and name  HB1 ))   (( segid    A and resid 25   and name  HN  ))      3.936     2.216     0.787 peak  3131 weight  1.00000E+00 volume  1.59182E+07 ppm1      3.686 ppm2      8.715
 ASSI { 3133}   (( segid    A and resid 25   and name  HB1 ))   (( segid    A and resid 25   and name  HA  ))      2.860     1.140     0.572 peak  3133 weight  1.00000E+00 volume  2.28624E+07 ppm1      4.329 ppm2      4.437
 ASSI { 3142}   (( segid    A and resid 25   and name  HB1 ))   (( segid    A and resid 27   and name  HN  ))      5.326     3.606     1.065 peak  3142 weight  1.00000E+00 volume  2.59463E+06 ppm1      4.331 ppm2      8.140
 ASSI { 3143}   (( segid    A and resid 26   and name  HA  ))   (( segid    A and resid 27   and name  HN  ))      3.815     2.095     0.763 peak  3143 weight  1.00000E+00 volume  6.74872E+06 ppm1      4.341 ppm2      8.138
 ASSI { 3144}   (( segid    A and resid 26   and name  HB1 ))   (( segid    A and resid 26   and name  HB2 ))      2.344     0.624     0.469 peak  3144 weight  1.00000E+00 volume  3.27184E+08 ppm1      2.734 ppm2      2.782
 ASSI { 3147}   (( segid    A and resid 26   and name  HA  ))   (( segid    A and resid 28   and name  HN  ))      4.394     2.674     0.879 peak  3147 weight  1.00000E+00 volume  3.23799E+06 ppm1      4.340 ppm2      7.912
 ASSI { 3149}   (( segid    A and resid 26   and name  HB1 ))   (  segid    A and resid 29   and name  HB# )      5.468     3.748     1.094 peak  3149 weight  1.00000E+00 volume  4.01757E+06 ppm1      2.738 ppm2      1.345
 ASSI { 3152}   (( segid    A and resid 27   and name  HA  ))   (( segid    A and resid 26   and name  HB2 ))      4.149     2.429     0.830 peak  3152 weight  1.00000E+00 volume  4.92556E+06 ppm1      4.247 ppm2      2.782
 ASSI { 3155}   (( segid    A and resid 27   and name  HB1 ))   (  segid    A and resid 27   and name  HE# )      6.524     4.804     0.476 peak  3155 weight  1.00000E+00 volume  1.53665E+06 ppm1      3.178 ppm2      7.332
 ASSI { 3159}   (( segid    A and resid 27   and name  HB2 ))   (  segid    A and resid 30   and name  HB# )      5.771     4.051     1.154 peak  3159 weight  1.00000E+00 volume  3.20521E+06 ppm1      2.918 ppm2      1.844
 ASSI { 3161}   (( segid    A and resid 27   and name  HB2 ))   (  segid    A and resid 27   and name  HD# )      4.259     2.539     0.852 peak  3161 weight  1.00000E+00 volume  1.98391E+07 ppm1      2.904 ppm2      7.161
 ASSI { 3162}   (( segid    A and resid 27   and name  HB2 ))   (  segid    A and resid 27   and name  HE# )      6.091     4.371     0.909 peak  3162 weight  1.00000E+00 volume  2.31864E+06 ppm1      2.903 ppm2      7.323
 ASSI { 3163}   (( segid    A and resid 7    and name  HB1 ))   (( segid    A and resid 7    and name  HN  ))      3.992     2.272     0.798 peak  3163 weight  1.00000E+00 volume  8.58225E+06 ppm1      2.918 ppm2      8.048
 ASSI { 3164}   (( segid    A and resid 28   and name  HD1 ))   (( segid    A and resid 25   and name  HN  ))      4.663     2.943     0.933 peak  3164 weight  1.00000E+00 volume  3.05989E+06 ppm1      2.893 ppm2      8.704
 ASSI { 3166}   (  segid    A and resid 28   and name  HG# )   (( segid    A and resid 29   and name  HN  ))      4.859     3.139     0.972 peak  3166 weight  1.00000E+00 volume  4.98522E+06 ppm1      1.468 ppm2      8.691
 ASSI { 3169}   (( segid    A and resid 32   and name  HB  ))   (( segid    A and resid 28   and name  HA  ))      4.587     2.867     0.917 peak  3169 weight  1.00000E+00 volume  2.83964E+06 ppm1      3.996 ppm2      3.753
 ASSI { 3171}   (( segid    A and resid 32   and name  HB  ))   (  segid    A and resid 54   and name  HD# )      6.451     4.731     0.549 peak  3171 weight  1.00000E+00 volume  2.46494E+06 ppm1      3.997 ppm2      7.176
 OR { 3171}
   (( segid    A and resid 32   and name  HB  ))   (( segid    A and resid 31   and name  HN  )) ASSI { 3172}   (  segid    A and resid 31   and name  HG2#)   (  segid    A and resid 27   and name  HD# )      5.031     3.311     1.006 peak  3172 weight  1.00000E+00 volume  2.19046E+07 ppm1      0.966 ppm2      7.182
 ASSI { 3173}   (  segid    A and resid 31   and name  HG2#)   (  segid    A and resid 27   and name  HE# )      5.323     3.603     1.065 peak  3173 weight  1.00000E+00 volume  1.56159E+07 ppm1      0.963 ppm2      7.340
 ASSI { 3179}   (( segid    A and resid 28   and name  HD1 ))   (  segid    A and resid 32   and name  HG2#)      5.008     3.288     1.002 peak  3179 weight  1.00000E+00 volume  7.91204E+06 ppm1      2.890 ppm2      0.817
 ASSI { 3182}   (  segid    A and resid 41   and name  HG1#)   (( segid    A and resid 28   and name  HD1 ))      4.678     2.958     0.936 peak  3182 weight  1.00000E+00 volume  5.81539E+06 ppm1      0.609 ppm2      2.879
 ASSI { 3189}   (( segid    A and resid 30   and name  HG1 ))   (  segid    A and resid 30   and name  HD# )      3.523     1.803     0.705 peak  3189 weight  1.00000E+00 volume  6.19435E+07 ppm1      1.544 ppm2      1.643
 ASSI { 3190}   (( segid    A and resid 30   and name  HG2 ))   (  segid    A and resid 30   and name  HD# )      3.570     1.850     0.714 peak  3190 weight  1.00000E+00 volume  5.72296E+07 ppm1      1.453 ppm2      1.641
 ASSI { 3191}   (  segid    A and resid 28   and name  HG# )   (( segid    A and resid 32   and name  HN  ))      5.369     3.649     1.074 peak  3191 weight  1.00000E+00 volume  1.95074E+06 ppm1      1.467 ppm2      7.532
 ASSI { 3192}   (  segid    A and resid 29   and name  HB# )   (( segid    A and resid 32   and name  HN  ))      5.929     4.209     1.071 peak  3192 weight  1.00000E+00 volume  2.68315E+06 ppm1      1.351 ppm2      7.530
 ASSI { 3193}   (  segid    A and resid 29   and name  HB# )   (( segid    A and resid 35   and name  HN  ))      6.074     4.354     0.926 peak  3193 weight  1.00000E+00 volume  3.53949E+06 ppm1      1.354 ppm2      7.880
 ASSI { 3194}   (  segid    A and resid 30   and name  HB# )   (( segid    A and resid 29   and name  HN  ))      4.721     3.001     0.944 peak  3194 weight  1.00000E+00 volume  1.46103E+06 ppm1      1.843 ppm2      8.678
 ASSI { 3197}   (  segid    A and resid 30   and name  HB# )   (( segid    A and resid 32   and name  HN  ))      5.525     3.805     1.105 peak  3197 weight  1.00000E+00 volume  2.05620E+06 ppm1      1.839 ppm2      7.531
 ASSI { 3198}   (  segid    A and resid 30   and name  HB# )   (  segid    A and resid 30   and name  HE# )      6.058     4.338     0.942 peak  3198 weight  1.00000E+00 volume  2.96320E+06 ppm1      1.843 ppm2      2.934
 ASSI { 3203}   (( segid    A and resid 31   and name  HA  ))   (  segid    A and resid 27   and name  HD# )      4.703     2.983     0.941 peak  3203 weight  1.00000E+00 volume  1.09499E+07 ppm1      4.409 ppm2      7.190
 ASSI { 3204}   (( segid    A and resid 31   and name  HB  ))   (  segid    A and resid 27   and name  HD# )      5.176     3.456     1.035 peak  3204 weight  1.00000E+00 volume  6.15963E+06 ppm1      4.314 ppm2      7.182
 ASSI { 3205}   (( segid    A and resid 31   and name  HB  ))   (( segid    A and resid 30   and name  HN  ))      5.927     4.207     1.073 peak  3205 weight  1.00000E+00 volume  1.36580E+06 ppm1      4.312 ppm2      7.323
 ASSI { 3208}   (( segid    A and resid 32   and name  HB  ))   (( segid    A and resid 28   and name  HD1 ))      5.239     3.519     1.048 peak  3208 weight  1.00000E+00 volume  1.58746E+06 ppm1      3.995 ppm2      2.887
 ASSI { 3210}   (( segid    A and resid 32   and name  HB  ))   (( segid    A and resid 35   and name  HB2 ))      6.182     4.462     0.818 peak  3210 weight  1.00000E+00 volume  1.06116E+06 ppm1      3.991 ppm2      3.023
 ASSI { 3211}   (( segid    A and resid 35   and name  HB1 ))   (( segid    A and resid 35   and name  HA  ))      4.292     2.572     0.858 peak  3211 weight  1.00000E+00 volume  1.89355E+07 ppm1      3.339 ppm2      3.974
 OR { 3211}
   (( segid    A and resid 35   and name  HB1 ))   (( segid    A and resid 29   and name  HA  ))      6.873     5.153     0.127 peak  3213 weight  1.00000E+00 volume  1.12400E+06 ppm1      3.995 ppm2      7.290
 ASSI { 3214}   (  segid    A and resid 32   and name  HG2#)   (  segid    A and resid 54   and name  HE# )      5.241     3.521     1.048 peak  3214 weight  1.00000E+00 volume  1.71401E+07 ppm1      0.819 ppm2      7.287
 ASSI { 3216}   (  segid    A and resid 32   and name  HG2#)   (( segid    A and resid 35   and name  HN  ))      4.173     2.453     0.835 peak  3216 weight  1.00000E+00 volume  2.80572E+07 ppm1      0.817 ppm2      7.890
 ASSI { 3219}   (( segid    A and resid 33   and name  HB2 ))   (( segid    A and resid 33   and name  HG1 ))      2.441     0.721     0.488 peak  3219 weight  1.00000E+00 volume  1.56944E+08 ppm1      1.953 ppm2      1.970
 ASSI { 3223}   (( segid    A and resid 10   and name  HB1 ))   (( segid    A and resid 11   and name  HG  ))      4.211     2.491     1.400 peak  3223 weight  1.00000E+00 volume  1.06136E+07 ppm1      2.168 ppm2      0.697
 ASSI { 3225}   (( segid    A and resid 11   and name  HG  ))   (( segid    A and resid 10   and name  HB2 ))      5.182     3.462     1.036 peak  3225 weight  1.00000E+00 volume  3.05927E+06 ppm1      0.694 ppm2      2.883
 ASSI { 3229}   (( segid    A and resid 10   and name  HB1 ))   (  segid    A and resid 15   and name  HB# )      3.825     2.105     0.765 peak  3229 weight  1.00000E+00 volume  3.78125E+07 ppm1      2.167 ppm2      2.925
 ASSI { 3231}   (  segid    A and resid 15   and name  HB# )   (( segid    A and resid 10   and name  HB2 ))      2.387     0.667     0.477 peak  3231 weight  1.00000E+00 volume  6.39591E+08 ppm1      2.926 ppm2      2.889
 ASSI { 3234}   (( segid    A and resid 44   and name  HG12))   (( segid    A and resid 55   and name  HD1 ))      4.689     2.969     0.938 peak  3234 weight  1.00000E+00 volume  1.95903E+06 ppm1      1.117 ppm2     -0.406
 ASSI { 3243}   (( segid    A and resid 55   and name  HA  ))   (( segid    A and resid 34   and name  HA  ))      4.695     2.975     0.939 peak  3243 weight  1.00000E+00 volume  3.60292E+06 ppm1      4.634 ppm2      4.139
 ASSI { 3246}   (( segid    A and resid 56   and name  HA  ))   (( segid    A and resid 34   and name  HA  ))      4.835     3.115     0.967 peak  3246 weight  1.00000E+00 volume  4.63740E+06 ppm1      4.563 ppm2      4.141
 ASSI { 3250}   (( segid    A and resid 34   and name  HA  ))   (  segid    A and resid 41   and name  HG2#)      6.391     4.671     0.609 peak  3250 weight  1.00000E+00 volume  2.60721E+06 ppm1      4.141 ppm2      0.704
 ASSI { 3254}   (( segid    A and resid 34   and name  HB2 ))   (  segid    A and resid 41   and name  HG2#)      5.303     3.583     1.061 peak  3254 weight  1.00000E+00 volume  7.98427E+06 ppm1      1.764 ppm2      0.705
 ASSI { 3258}   (( segid    A and resid 34   and name  HB1 ))   (  segid    A and resid 41   and name  HG2#)      4.007     2.287     0.801 peak  3258 weight  1.00000E+00 volume  6.42471E+06 ppm1      2.017 ppm2      0.709
 ASSI { 3262}   (( segid    A and resid 34   and name  HA  ))   (( segid    A and resid 37   and name  HD2 ))      4.064     2.344     0.813 peak  3262 weight  1.00000E+00 volume  6.13217E+06 ppm1      4.140 ppm2      3.698
 ASSI { 3265}   (( segid    A and resid 35   and name  HA  ))   (  segid    A and resid 41   and name  HG2#)      5.480     3.760     1.096 peak  3265 weight  1.00000E+00 volume  6.55982E+06 ppm1      4.011 ppm2      0.700
 ASSI { 3270}   (( segid    A and resid 40   and name  HA  ))   (( segid    A and resid 40   and name  HN  ))      3.648     1.928     0.730 peak  3270 weight  1.00000E+00 volume  2.51431E+07 ppm1      5.165 ppm2      8.596
 ASSI { 3272}   (( segid    A and resid 37   and name  HD2 ))   (( segid    A and resid 36   and name  HA1 ))      3.240     1.520     0.648 peak  3272 weight  1.00000E+00 volume  5.11875E+07 ppm1      3.698 ppm2      3.809
 ASSI { 3277}   (( segid    A and resid 36   and name  HA2 ))   (( segid    A and resid 35   and name  HB2 ))      7.000     5.280     0.000 peak  3277 weight  1.00000E+00 volume  4.20904E+05 ppm1      4.085 ppm2      3.031
 ASSI { 3285}   (( segid    A and resid 37   and name  HG2 ))   (( segid    A and resid 37   and name  HB2 ))      3.081     1.361     0.616 peak  3285 weight  1.00000E+00 volume  6.91918E+07 ppm1      2.215 ppm2      1.988
 ASSI { 3288}   (( segid    A and resid 37   and name  HB2 ))   (( segid    A and resid 37   and name  HG1 ))      2.440     0.720     0.488 peak  3288 weight  1.00000E+00 volume  2.80751E+08 ppm1      1.998 ppm2      2.004
 ASSI { 3290}   (( segid    A and resid 37   and name  HD1 ))   (( segid    A and resid 37   and name  HB2 ))      3.698     1.978     0.740 peak  3290 weight  1.00000E+00 volume  2.31641E+07 ppm1      3.639 ppm2      1.992
 ASSI { 3296}   (( segid    A and resid 37   and name  HA  ))   (( segid    A and resid 37   and name  HD2 ))      4.479     2.759     0.896 peak  3296 weight  1.00000E+00 volume  7.33973E+06 ppm1      4.232 ppm2      3.699
 ASSI { 3301}   (( segid    A and resid 58   and name  HG1 ))   (( segid    A and resid 58   and name  HG2 ))      2.403     0.683     0.481 peak  3301 weight  1.00000E+00 volume  2.48168E+08 ppm1      1.472 ppm2      1.526
 ASSI { 3305}   (( segid    A and resid 58   and name  HB1 ))   (( segid    A and resid 58   and name  HB2 ))      2.712     0.992     0.542 peak  3305 weight  1.00000E+00 volume  1.04679E+08 ppm1      1.581 ppm2      1.691
 ASSI { 3311}   (( segid    A and resid 38   and name  HA  ))   (( segid    A and resid 39   and name  HA2 ))      5.629     3.909     1.126 peak  3311 weight  1.00000E+00 volume  1.86062E+06 ppm1      4.862 ppm2      4.416
 ASSI { 3314}   (( segid    A and resid 38   and name  HB  ))   (  segid    A and resid 40   and name  HE# )      6.179     4.459     0.821 peak  3314 weight  1.00000E+00 volume  2.12764E+06 ppm1      4.632 ppm2      6.863
 ASSI { 3317}   (  segid    A and resid 38   and name  HG2#)   (( segid    A and resid 59   and name  HB2 ))      6.248     4.528     0.752 peak  3317 weight  1.00000E+00 volume  2.98703E+06 ppm1      1.056 ppm2      3.193
 ASSI { 3319}   (( segid    A and resid 59   and name  HA  ))   (  segid    A and resid 38   and name  HG2#)      6.270     4.550     0.730 peak  3319 weight  1.00000E+00 volume  2.92390E+06 ppm1      3.879 ppm2      1.051
 ASSI { 3326}   (( segid    A and resid 40   and name  HB1 ))   (  segid    A and resid 40   and name  HE# )      4.773     3.053     0.955 peak  3326 weight  1.00000E+00 volume  1.00191E+07 ppm1      2.912 ppm2      6.863
 ASSI { 3327}   (  segid    A and resid 41   and name  HG2#)   (  segid    A and resid 54   and name  HE# )      5.686     3.966     1.137 peak  3327 weight  1.00000E+00 volume  1.05166E+07 ppm1      0.707 ppm2      7.289
 ASSI { 3328}   (  segid    A and resid 41   and name  HG1#)   (  segid    A and resid 54   and name  HE# )      5.402     3.682     1.080 peak  3328 weight  1.00000E+00 volume  1.42920E+07 ppm1      0.608 ppm2      7.289
 ASSI { 3335}   (  segid    A and resid 41   and name  HG2#)   (( segid    A and resid 34   and name  HG2 ))      6.356     4.636     0.644 peak  3335 weight  1.00000E+00 volume  2.69539E+06 ppm1      0.709 ppm2      2.498
 ASSI { 3339}   (( segid    A and resid 41   and name  HA  ))   (( segid    A and resid 35   and name  HA  ))      5.425     3.705     1.085 peak  3339 weight  1.00000E+00 volume  1.93476E+06 ppm1      5.142 ppm2      4.009
 ASSI { 3341}   (  segid    A and resid 41   and name  HG2#)   (( segid    A and resid 56   and name  HA  ))      5.435     3.715     1.087 peak  3341 weight  1.00000E+00 volume  4.36638E+06 ppm1      0.711 ppm2      4.564
 ASSI { 3350}   (  segid    A and resid 41   and name  HG2#)   (( segid    A and resid 35   and name  HN  ))      6.133     4.413     0.867 peak  3350 weight  1.00000E+00 volume  1.53164E+06 ppm1      0.707 ppm2      7.891
 ASSI { 3351}   (  segid    A and resid 41   and name  HG2#)   (( segid    A and resid 57   and name  HN  ))      6.022     4.302     0.978 peak  3351 weight  1.00000E+00 volume  1.30724E+06 ppm1      0.712 ppm2      7.730
 ASSI { 3352}   (( segid    A and resid 42   and name  HG1 ))   (( segid    A and resid 57   and name  HB2 ))      4.535     2.815     0.907 peak  3352 weight  1.00000E+00 volume  5.31273E+06 ppm1      2.142 ppm2      3.114
 ASSI { 3353}   (( segid    A and resid 42   and name  HG2 ))   (( segid    A and resid 57   and name  HB2 ))      4.750     3.030     0.950 peak  3353 weight  1.00000E+00 volume  5.15495E+06 ppm1      2.226 ppm2      3.112
 ASSI { 3363}   (( segid    A and resid 20   and name  HA  ))   (( segid    A and resid 42   and name  HB1 ))      4.336     2.616     0.867 peak  3363 weight  1.00000E+00 volume  8.91702E+06 ppm1      4.124 ppm2      1.873
 ASSI { 3370}   (( segid    A and resid 19   and name  HB1 ))   (( segid    A and resid 43   and name  HA  ))      4.850     3.130     0.970 peak  3370 weight  1.00000E+00 volume  3.11581E+06 ppm1      2.096 ppm2      4.828
 ASSI { 3372}   (( segid    A and resid 43   and name  HA  ))   (  segid    A and resid 54   and name  HE# )      5.789     4.069     1.158 peak  3372 weight  1.00000E+00 volume  3.14836E+06 ppm1      4.828 ppm2      7.295
 ASSI { 3376}   (  segid    A and resid 18   and name  HB# )   (( segid    A and resid 19   and name  HB1 ))      4.783     3.063     0.957 peak  3376 weight  1.00000E+00 volume  1.48441E+07 ppm1      1.230 ppm2      2.094
 ASSI { 3378}   (( segid    A and resid 43   and name  HE1 ))   (( segid    A and resid 43   and name  HE2 ))      2.589     0.869     0.518 peak  3378 weight  1.00000E+00 volume  1.78422E+08 ppm1      2.474 ppm2      2.548
 ASSI { 3384}   (( segid    A and resid 44   and name  HB  ))   (( segid    A and resid 53   and name  HB2 ))      5.469     3.749     1.094 peak  3384 weight  1.00000E+00 volume  2.21436E+06 ppm1      1.919 ppm2      2.375
 ASSI { 3390}   (( segid    A and resid 44   and name  HB  ))   (( segid    A and resid 15   and name  HZ  ))      4.787     3.067     0.957 peak  3390 weight  1.00000E+00 volume  4.92031E+06 ppm1      1.920 ppm2      7.286
 ASSI { 3392}   (( segid    A and resid 44   and name  HB  ))   (( segid    A and resid 53   and name  HB1 ))      4.980     3.260     0.996 peak  3392 weight  1.00000E+00 volume  3.88444E+06 ppm1      1.920 ppm2      1.614
 ASSI { 3396}   (( segid    A and resid 52   and name  HA  ))   (( segid    A and resid 51   and name  HB1 ))      5.507     3.787     1.101 peak  3396 weight  1.00000E+00 volume  2.12269E+06 ppm1      5.881 ppm2      1.817
 ASSI { 3397}   (  segid    A and resid 53   and name  HG# )   (( segid    A and resid 51   and name  HB2 ))      4.352     2.632     0.870 peak  3397 weight  1.00000E+00 volume  1.33461E+07 ppm1      2.346 ppm2      1.887
 ASSI { 3400}   (( segid    A and resid 52   and name  HA  ))   (( segid    A and resid 44   and name  HG11))      4.872     3.152     0.974 peak  3400 weight  1.00000E+00 volume  4.43089E+06 ppm1      5.876 ppm2      0.656
 ASSI { 3402}   (  segid    A and resid 45   and name  HG2#)   (( segid    A and resid 52   and name  HD21))      5.622     3.902     1.124 peak  3402 weight  1.00000E+00 volume  5.62569E+06 ppm1      0.987 ppm2      6.767
 ASSI { 3406}   (  segid    A and resid 53   and name  HG# )   (( segid    A and resid 10   and name  HE3 ))      6.348     4.628     0.652 peak  3406 weight  1.00000E+00 volume  1.80935E+06 ppm1      2.351 ppm2      7.234
 ASSI { 3409}   (( segid    A and resid 16   and name  HB  ))   (  segid    A and resid 45   and name  HG2#)      5.628     3.908     1.126 peak  3409 weight  1.00000E+00 volume  5.59266E+06 ppm1      2.024 ppm2      0.985
 ASSI { 3411}   (( segid    A and resid 46   and name  HA  ))   (( segid    A and resid 47   and name  HA  ))      4.587     2.867     0.917 peak  3411 weight  1.00000E+00 volume  5.61424E+06 ppm1      4.568 ppm2      4.134
 ASSI { 3413}   (( segid    A and resid 47   and name  HB1 ))   (( segid    A and resid 46   and name  HA  ))      3.714     1.994     0.743 peak  3413 weight  1.00000E+00 volume  2.25611E+07 ppm1      3.876 ppm2      4.557
 ASSI { 3420}   (( segid    A and resid 46   and name  HB1 ))   (( segid    A and resid 13   and name  HB2 ))      4.198     2.478     0.840 peak  3420 weight  1.00000E+00 volume  1.08171E+07 ppm1      2.740 ppm2      2.620
 ASSI { 3424}   (( segid    A and resid 46   and name  HB2 ))   (( segid    A and resid 51   and name  HB1 ))      5.017     3.297     1.003 peak  3424 weight  1.00000E+00 volume  3.71304E+06 ppm1      4.362 ppm2      1.815
 ASSI { 3428}   (( segid    A and resid 50   and name  HG1 ))   (( segid    A and resid 47   and name  HA  ))      4.835     3.115     0.967 peak  3428 weight  1.00000E+00 volume  4.63307E+06 ppm1      1.364 ppm2      4.148
 ASSI { 3430}   (( segid    A and resid 50   and name  HD2 ))   (( segid    A and resid 50   and name  HD1 ))      2.227     0.507     0.445 peak  3430 weight  1.00000E+00 volume  2.33465E+08 ppm1      1.554 ppm2      1.624
 ASSI { 3432}   (( segid    A and resid 47   and name  HA  ))   (( segid    A and resid 50   and name  HD2 ))      4.986     3.266     0.997 peak  3432 weight  1.00000E+00 volume  3.85404E+06 ppm1      4.158 ppm2      1.553
 ASSI { 3433}   (( segid    A and resid 50   and name  HB2 ))   (( segid    A and resid 47   and name  HA  ))      4.652     2.932     0.930 peak  3433 weight  1.00000E+00 volume  5.84544E+06 ppm1      1.938 ppm2      4.150
 ASSI { 3434}   (( segid    A and resid 50   and name  HB1 ))   (( segid    A and resid 47   and name  HA  ))      4.982     3.262     0.996 peak  3434 weight  1.00000E+00 volume  3.87430E+06 ppm1      2.151 ppm2      4.148
 ASSI { 3436}   (( segid    A and resid 50   and name  HD1 ))   (  segid    A and resid 50   and name  HE# )      4.358     2.638     0.872 peak  3436 weight  1.00000E+00 volume  1.72922E+07 ppm1      1.630 ppm2      3.002
 ASSI { 3449}   (( segid    A and resid 51   and name  HD2 ))   (( segid    A and resid 51   and name  HD1 ))      2.419     0.699     0.484 peak  3449 weight  1.00000E+00 volume  2.95619E+08 ppm1      3.229 ppm2      3.279
 ASSI { 3451}   (( segid    A and resid 49   and name  HB1 ))   (( segid    A and resid 51   and name  HD1 ))      5.039     3.319     1.008 peak  3451 weight  1.00000E+00 volume  3.61684E+06 ppm1      4.002 ppm2      3.282
 ASSI { 3452}   (( segid    A and resid 51   and name  HD1 ))   (( segid    A and resid 49   and name  HB2 ))      4.743     3.023     0.949 peak  3452 weight  1.00000E+00 volume  5.20003E+06 ppm1      3.281 ppm2      3.900
 ASSI { 3456}   (( segid    A and resid 49   and name  HB1 ))   (( segid    A and resid 51   and name  HB1 ))      4.259     2.539     0.852 peak  3456 weight  1.00000E+00 volume  2.52864E+06 ppm1      3.998 ppm2      1.813
 ASSI { 3457}   (( segid    A and resid 49   and name  HB1 ))   (( segid    A and resid 51   and name  HB2 ))      4.702     2.982     0.940 peak  3457 weight  1.00000E+00 volume  3.51451E+06 ppm1      3.998 ppm2      1.888
 ASSI { 3458}   (( segid    A and resid 49   and name  HB2 ))   (( segid    A and resid 51   and name  HB1 ))      4.652     2.932     0.930 peak  3458 weight  1.00000E+00 volume  5.84482E+06 ppm1      3.897 ppm2      1.815
 ASSI { 3459}   (( segid    A and resid 49   and name  HB2 ))   (( segid    A and resid 51   and name  HB2 ))      4.624     2.904     0.925 peak  3459 weight  1.00000E+00 volume  6.06165E+06 ppm1      3.897 ppm2      1.888
 ASSI { 3467}   (( segid    A and resid 50   and name  HA  ))   (  segid    A and resid 50   and name  HE# )      6.300     4.580     0.700 peak  3467 weight  1.00000E+00 volume  1.89523E+06 ppm1      4.062 ppm2      3.001
 ASSI { 3481}   (  segid    A and resid 53   and name  HG# )   (  segid    A and resid 51   and name  HG# )      4.369     2.649     0.874 peak  3481 weight  1.00000E+00 volume  3.40699E+07 ppm1      2.346 ppm2      1.666
 ASSI { 3486}   (( segid    A and resid 52   and name  HB2 ))   (( segid    A and resid 43   and name  HB1 ))      4.393     2.673     0.879 peak  3486 weight  1.00000E+00 volume  2.99968E+06 ppm1      2.241 ppm2      1.646
 ASSI { 3489}   (( segid    A and resid 36   and name  HA2 ))   (( segid    A and resid 33   and name  HA  ))      5.291     3.571     1.058 peak  3489 weight  1.00000E+00 volume  2.69857E+06 ppm1      4.086 ppm2      4.317
 ASSI { 3490}   (( segid    A and resid 36   and name  HA1 ))   (( segid    A and resid 33   and name  HA  ))      5.142     3.422     1.028 peak  3490 weight  1.00000E+00 volume  3.20519E+06 ppm1      3.806 ppm2      4.317
 ASSI { 3491}   (( segid    A and resid 44   and name  HG11))   (( segid    A and resid 45   and name  HN  ))      5.857     4.137     1.143 peak  3491 weight  1.00000E+00 volume  1.46646E+06 ppm1      0.673 ppm2      8.995
 ASSI { 3492}   (( segid    A and resid 44   and name  HG12))   (( segid    A and resid 45   and name  HN  ))      5.631     3.911     1.126 peak  3492 weight  1.00000E+00 volume  1.85826E+06 ppm1      1.116 ppm2      8.994
 ASSI { 3496}   (( segid    A and resid 21   and name  HB1 ))   (( segid    A and resid 57   and name  HA  ))      6.092     4.372     0.908 peak  3496 weight  1.00000E+00 volume  1.15888E+06 ppm1      3.165 ppm2      5.005
 ASSI { 3498}   (( segid    A and resid 57   and name  HA  ))   (( segid    A and resid 56   and name  HA  ))      4.781     3.061     0.956 peak  3498 weight  1.00000E+00 volume  3.51886E+06 ppm1      5.015 ppm2      4.569
 ASSI { 3506}   (( segid    A and resid 21   and name  HB1 ))   (( segid    A and resid 59   and name  HA  ))      5.843     4.123     1.157 peak  3506 weight  1.00000E+00 volume  1.48865E+06 ppm1      3.164 ppm2      3.857
 ASSI { 3508}   (( segid    A and resid 9    and name  HB1 ))   (( segid    A and resid 51   and name  HB1 ))      5.177     3.457     1.035 peak  3508 weight  1.00000E+00 volume  3.07495E+06 ppm1      3.652 ppm2      1.829
 ASSI { 3509}   (( segid    A and resid 9    and name  HB1 ))   (( segid    A and resid 8    and name  HB2 ))      5.491     3.771     1.098 peak  3509 weight  1.00000E+00 volume  2.16167E+06 ppm1      3.649 ppm2      1.699
 ASSI { 3510}   (( segid    A and resid 9    and name  HB2 ))   (( segid    A and resid 51   and name  HB1 ))      4.854     3.134     0.971 peak  3510 weight  1.00000E+00 volume  4.52741E+06 ppm1      3.109 ppm2      1.828
 ASSI { 3511}   (( segid    A and resid 9    and name  HB2 ))   (( segid    A and resid 8    and name  HB2 ))      5.190     3.470     1.038 peak  3511 weight  1.00000E+00 volume  3.03056E+06 ppm1      3.109 ppm2      1.698
 ASSI { 3513}   (( segid    A and resid 39   and name  HA1 ))   (( segid    A and resid 35   and name  HB1 ))      5.642     3.922     1.128 peak  3513 weight  1.00000E+00 volume  1.83662E+06 ppm1      4.067 ppm2      3.347
 ASSI {    1}   (( segid    A and resid 18   and name  HN  ))   (( segid    A and resid 43   and name  HN  ))      4.912     3.192     0.982 peak     1 weight  1.00000E+00 volume  7.17792E+06 ppm1      9.123 ppm2      8.530
 ASSI {    2}   (( segid    A and resid 18   and name  HN  ))   (( segid    A and resid 45   and name  HN  ))      3.821     2.101     0.764 peak     2 weight  1.00000E+00 volume  2.04699E+07 ppm1      9.120 ppm2      8.997
 ASSI {    3}   (( segid    A and resid 18   and name  HN  ))   (( segid    A and resid 17   and name  HN  ))      4.503     2.783     0.901 peak     3 weight  1.00000E+00 volume  6.86435E+06 ppm1      9.121 ppm2      8.768
 ASSI {    4}   (( segid    A and resid 18   and name  HN  ))   (( segid    A and resid 19   and name  HN  ))      3.049     1.329     0.610 peak     4 weight  1.00000E+00 volume  9.79781E+07 ppm1      9.119 ppm2      7.852
 ASSI {    6}   (( segid    A and resid 18   and name  HN  ))   (( segid    A and resid 19   and name  HA  ))      5.025     3.305     1.005 peak     6 weight  1.00000E+00 volume  6.26897E+06 ppm1      9.118 ppm2      4.544
 ASSI {    9}   (( segid    A and resid 18   and name  HN  ))   (( segid    A and resid 17   and name  HB  ))      4.794     3.074     0.959 peak     9 weight  1.00000E+00 volume  8.31485E+06 ppm1      9.120 ppm2      2.003
 ASSI {   10}   (( segid    A and resid 18   and name  HN  ))   (( segid    A and resid 44   and name  HB  ))      4.531     2.811     0.906 peak    10 weight  1.00000E+00 volume  1.16542E+07 ppm1      9.119 ppm2      1.889
 ASSI {   13}   (( segid    A and resid 18   and name  HN  ))   (  segid    A and resid 17   and name  HG2#)      5.061     3.341     1.012 peak    13 weight  1.00000E+00 volume  1.80070E+07 ppm1      9.120 ppm2      0.961
 ASSI {   17}   (( segid    A and resid 46   and name  HN  ))   (( segid    A and resid 52   and name  HB1 ))      5.099     3.379     1.020 peak    17 weight  1.00000E+00 volume  5.73729E+06 ppm1      9.249 ppm2      2.598
 ASSI {   19}   (( segid    A and resid 46   and name  HN  ))   (( segid    A and resid 45   and name  HN  ))      4.432     2.712     0.886 peak    19 weight  1.00000E+00 volume  1.18443E+07 ppm1      9.245 ppm2      9.008
 ASSI {   20}   (( segid    A and resid 46   and name  HN  ))   (( segid    A and resid 53   and name  HN  ))      5.002     3.282     1.000 peak    20 weight  1.00000E+00 volume  6.43774E+06 ppm1      9.244 ppm2      8.667
 ASSI {   22}   (( segid    A and resid 46   and name  HN  ))   (( segid    A and resid 51   and name  HN  ))      4.184     2.464     0.837 peak    22 weight  1.00000E+00 volume  1.56508E+07 ppm1      9.244 ppm2      7.272
 ASSI {   28}   (( segid    A and resid 46   and name  HN  ))   (( segid    A and resid 50   and name  HA  ))      4.901     3.181     0.980 peak    28 weight  1.00000E+00 volume  7.27584E+06 ppm1      9.246 ppm2      4.044
 ASSI {   30}   (( segid    A and resid 46   and name  HN  ))   (  segid    A and resid 15   and name  HB# )      5.712     3.992     1.142 peak    30 weight  1.00000E+00 volume  5.80900E+06 ppm1      9.242 ppm2      2.891
 ASSI {   32}   (( segid    A and resid 46   and name  HN  ))   (( segid    A and resid 44   and name  HB  ))      4.920     3.200     0.984 peak    32 weight  1.00000E+00 volume  7.10788E+06 ppm1      9.244 ppm2      1.877
 ASSI {   39}   (( segid    A and resid 65   and name  HN  ))   (( segid    A and resid 65   and name  HA  ))      4.621     2.901     0.924 peak    39 weight  1.00000E+00 volume  1.03542E+07 ppm1      7.966 ppm2      4.181
 ASSI {   40}   (( segid    A and resid 60   and name  HN  ))   (( segid    A and resid 59   and name  HN  ))      4.239     2.519     0.848 peak    40 weight  1.00000E+00 volume  1.73957E+07 ppm1      8.023 ppm2      7.745
 ASSI {   41}   (( segid    A and resid 60   and name  HN  ))   (( segid    A and resid 60   and name  HA  ))      3.702     1.982     0.740 peak    41 weight  1.00000E+00 volume  3.92151E+07 ppm1      8.021 ppm2      4.200
 ASSI {   43}   (( segid    A and resid 60   and name  HN  ))   (( segid    A and resid 59   and name  HB2 ))      4.684     2.964     0.937 peak    43 weight  1.00000E+00 volume  9.55152E+06 ppm1      8.024 ppm2      3.187
 ASSI {   46}   (( segid    A and resid 60   and name  HN  ))   (  segid    A and resid 61   and name  HB# )      6.017     4.297     0.983 peak    46 weight  1.00000E+00 volume  4.25322E+06 ppm1      8.017 ppm2      1.564
 ASSI {   49}   (( segid    A and resid 22   and name  HN  ))   (( segid    A and resid 40   and name  HB2 ))      4.828     3.108     0.966 peak    49 weight  1.00000E+00 volume  7.96640E+06 ppm1      8.927 ppm2      2.680
 ASSI {   50}   (( segid    A and resid 22   and name  HN  ))   (( segid    A and resid 42   and name  HB2 ))      5.044     3.324     1.009 peak    50 weight  1.00000E+00 volume  6.12662E+06 ppm1      8.926 ppm2      2.208
 ASSI {   51}   (( segid    A and resid 22   and name  HN  ))   (( segid    A and resid 41   and name  HN  ))      3.627     1.907     0.725 peak    51 weight  1.00000E+00 volume  4.23109E+07 ppm1      8.927 ppm2      8.504
 ASSI {   52}   (( segid    A and resid 22   and name  HN  ))   (  segid    A and resid 40   and name  HD# )      5.298     3.578     1.060 peak    52 weight  1.00000E+00 volume  9.12791E+06 ppm1      8.933 ppm2      6.934
 ASSI {   61}   (( segid    A and resid 17   and name  HN  ))   (( segid    A and resid 16   and name  HN  ))      4.492     2.772     0.898 peak    61 weight  1.00000E+00 volume  8.11548E+06 ppm1      8.775 ppm2      8.440
 ASSI {   64}   (( segid    A and resid 17   and name  HN  ))   (( segid    A and resid 18   and name  HA  ))      5.216     3.496     1.043 peak    64 weight  1.00000E+00 volume  5.00800E+06 ppm1      8.772 ppm2      4.382
 ASSI {   69}   (( segid    A and resid 17   and name  HN  ))   (  segid    A and resid 15   and name  HD# )      5.727     4.007     1.145 peak    69 weight  1.00000E+00 volume  5.72045E+06 ppm1      8.768 ppm2      7.177
 ASSI {   72}   (( segid    A and resid 44   and name  HN  ))   (( segid    A and resid 18   and name  HN  ))      4.640     2.920     0.928 peak    72 weight  1.00000E+00 volume  8.26670E+06 ppm1      9.282 ppm2      9.125
 ASSI {   73}   (( segid    A and resid 44   and name  HN  ))   (( segid    A and resid 45   and name  HN  ))      4.977     3.257     0.995 peak    73 weight  1.00000E+00 volume  6.64005E+06 ppm1      9.282 ppm2      8.998
 ASSI {   74}   (( segid    A and resid 44   and name  HN  ))   (( segid    A and resid 55   and name  HN  ))      4.793     3.073     0.959 peak    74 weight  1.00000E+00 volume  8.31943E+06 ppm1      9.283 ppm2      8.798
 ASSI {   75}   (( segid    A and resid 44   and name  HN  ))   (  segid    A and resid 54   and name  HD# )      5.368     3.648     1.074 peak    75 weight  1.00000E+00 volume  8.42970E+06 ppm1      9.281 ppm2      7.161
 ASSI {   77}   (( segid    A and resid 44   and name  HN  ))   (  segid    A and resid 43   and name  HD# )      5.739     4.019     1.148 peak    77 weight  1.00000E+00 volume  5.64832E+06 ppm1      9.283 ppm2      1.336
 ASSI {   79}   (( segid    A and resid 44   and name  HN  ))   (( segid    A and resid 53   and name  HN  ))      3.662     1.942     0.732 peak    79 weight  1.00000E+00 volume  3.07124E+07 ppm1      9.280 ppm2      8.667
 ASSI {   80}   (( segid    A and resid 44   and name  HN  ))   (( segid    A and resid 43   and name  HN  ))      4.780     3.060     0.956 peak    80 weight  1.00000E+00 volume  6.97539E+06 ppm1      9.276 ppm2      8.518
 ASSI {   81}   (( segid    A and resid 44   and name  HN  ))   (( segid    A and resid 52   and name  HA  ))      4.999     3.279     1.000 peak    81 weight  1.00000E+00 volume  6.46369E+06 ppm1      9.280 ppm2      5.858
 ASSI {   85}   (( segid    A and resid 44   and name  HN  ))   (( segid    A and resid 53   and name  HA  ))      4.917     3.197     0.983 peak    85 weight  1.00000E+00 volume  7.13794E+06 ppm1      9.280 ppm2      4.665
 ASSI {   87}   (( segid    A and resid 44   and name  HN  ))   (( segid    A and resid 53   and name  HB1 ))      4.097     2.377     0.819 peak    87 weight  1.00000E+00 volume  2.13170E+07 ppm1      9.280 ppm2      1.595
 ASSI {   92}   (( segid    A and resid 9    and name  HN  ))   (( segid    A and resid 10   and name  HN  ))      3.746     2.026     0.749 peak    92 weight  1.00000E+00 volume  2.42084E+07 ppm1      9.651 ppm2      6.677
 ASSI {  102}   (( segid    A and resid 43   and name  HN  ))   (( segid    A and resid 42   and name  HN  ))      4.408     2.688     0.882 peak   102 weight  1.00000E+00 volume  1.37422E+07 ppm1      8.536 ppm2      9.093
 ASSI {  103}   (( segid    A and resid 43   and name  HN  ))   (( segid    A and resid 19   and name  HN  ))      3.498     1.778     0.700 peak   103 weight  1.00000E+00 volume  4.29163E+07 ppm1      8.536 ppm2      7.853
 ASSI {  104}   (( segid    A and resid 43   and name  HN  ))   (  segid    A and resid 54   and name  HD# )      5.744     4.024     1.149 peak   104 weight  1.00000E+00 volume  5.61515E+06 ppm1      8.535 ppm2      7.151
 ASSI {  105}   (( segid    A and resid 43   and name  HN  ))   (( segid    A and resid 54   and name  HA  ))      5.746     4.026     1.149 peak   105 weight  1.00000E+00 volume  2.80362E+06 ppm1      8.536 ppm2      5.375
 ASSI {  106}   (( segid    A and resid 43   and name  HN  ))   (( segid    A and resid 44   and name  HA  ))      5.456     3.736     1.091 peak   106 weight  1.00000E+00 volume  3.82256E+06 ppm1      8.536 ppm2      5.129
 ASSI {  108}   (( segid    A and resid 43   and name  HN  ))   (( segid    A and resid 21   and name  HA  ))      4.899     3.179     0.980 peak   108 weight  1.00000E+00 volume  7.30116E+06 ppm1      8.536 ppm2      4.364
 ASSI {  115}   (( segid    A and resid 43   and name  HN  ))   (( segid    A and resid 43   and name  HG2 ))      5.203     3.483     1.041 peak   115 weight  1.00000E+00 volume  5.08423E+06 ppm1      8.538 ppm2      0.882
 ASSI {  116}   (( segid    A and resid 43   and name  HN  ))   (  segid    A and resid 17   and name  HG1#)      5.062     3.342     1.012 peak   116 weight  1.00000E+00 volume  1.79820E+07 ppm1      8.534 ppm2      0.782
 ASSI {  117}   (( segid    A and resid 43   and name  HN  ))   (  segid    A and resid 44   and name  HG2#)      5.945     4.225     1.055 peak   117 weight  1.00000E+00 volume  6.85705E+06 ppm1      8.537 ppm2      0.669
 ASSI {  119}   (( segid    A and resid 5    and name  HN  ))   (( segid    A and resid 6    and name  HN  ))      4.103     2.383     0.821 peak   119 weight  1.00000E+00 volume  1.88822E+07 ppm1      8.340 ppm2      8.222
 ASSI {  122}   (( segid    A and resid 5    and name  HN  ))   (( segid    A and resid 5    and name  HA  ))      4.021     2.301     0.804 peak   122 weight  1.00000E+00 volume  2.38488E+07 ppm1      8.332 ppm2      4.208
 ASSI {  123}   (( segid    A and resid 5    and name  HN  ))   (( segid    A and resid 4    and name  HB1 ))      4.811     3.091     0.962 peak   123 weight  1.00000E+00 volume  8.13113E+06 ppm1      8.331 ppm2      2.046
 ASSI {  124}   (( segid    A and resid 5    and name  HN  ))   (( segid    A and resid 4    and name  HB2 ))      6.470     4.750     0.530 peak   124 weight  1.00000E+00 volume  1.37450E+06 ppm1      8.332 ppm2      1.949
 ASSI {  126}   (( segid    A and resid 5    and name  HN  ))   (  segid    A and resid 5    and name  HG# )      4.995     3.275     0.999 peak   126 weight  1.00000E+00 volume  1.29936E+07 ppm1      8.333 ppm2      1.342
 ASSI {  128}   (( segid    A and resid 20   and name  HN  ))   (( segid    A and resid 21   and name  HN  ))      4.255     2.535     0.851 peak   128 weight  1.00000E+00 volume  1.70056E+07 ppm1      8.568 ppm2      9.042
 ASSI {  129}   (( segid    A and resid 20   and name  HN  ))   (( segid    A and resid 19   and name  HN  ))      4.044     2.324     0.809 peak   129 weight  1.00000E+00 volume  2.30705E+07 ppm1      8.569 ppm2      7.852
 ASSI {  135}   (( segid    A and resid 20   and name  HN  ))   (( segid    A and resid 19   and name  HB2 ))      3.878     2.158     0.776 peak   135 weight  1.00000E+00 volume  2.96752E+07 ppm1      8.567 ppm2      1.883
 ASSI {  137}   (( segid    A and resid 40   and name  HN  ))   (( segid    A and resid 57   and name  HN  ))      4.839     3.119     0.968 peak   137 weight  1.00000E+00 volume  7.85619E+06 ppm1      8.601 ppm2      7.715
 ASSI {  138}   (( segid    A and resid 40   and name  HN  ))   (  segid    A and resid 40   and name  HE# )      5.718     3.998     1.144 peak   138 weight  1.00000E+00 volume  5.77353E+06 ppm1      8.601 ppm2      6.839
 ASSI {  140}   (( segid    A and resid 40   and name  HN  ))   (( segid    A and resid 38   and name  HN  ))      4.198     2.478     0.840 peak   140 weight  1.00000E+00 volume  1.84169E+07 ppm1      8.598 ppm2      8.909
 ASSI {  141}   (( segid    A and resid 40   and name  HN  ))   (( segid    A and resid 39   and name  HN  ))      3.741     2.021     0.748 peak   141 weight  1.00000E+00 volume  3.68236E+07 ppm1      8.599 ppm2      7.968
 ASSI {  145}   (( segid    A and resid 40   and name  HN  ))   (( segid    A and resid 58   and name  HA  ))      5.853     4.133     1.147 peak   145 weight  1.00000E+00 volume  2.50971E+06 ppm1      8.597 ppm2      4.202
 ASSI {  147}   (( segid    A and resid 40   and name  HN  ))   (( segid    A and resid 23   and name  HA  ))      5.112     3.392     1.022 peak   147 weight  1.00000E+00 volume  5.65284E+06 ppm1      8.598 ppm2      3.760
 ASSI {  150}   (( segid    A and resid 40   and name  HN  ))   (  segid    A and resid 41   and name  HG1#)      6.335     4.615     0.665 peak   150 weight  1.00000E+00 volume  4.67974E+06 ppm1      8.597 ppm2      0.592
 ASSI {  151}   (( segid    A and resid 13   and name  HN  ))   (( segid    A and resid 12   and name  HN  ))      2.847     1.127     0.569 peak   151 weight  1.00000E+00 volume  1.89384E+08 ppm1      8.187 ppm2      7.312
 ASSI {  152}   (( segid    A and resid 13   and name  HN  ))   (( segid    A and resid 11   and name  HN  ))      4.211     2.491     0.842 peak   152 weight  1.00000E+00 volume  1.77146E+07 ppm1      8.187 ppm2      6.981
 ASSI {  155}   (( segid    A and resid 13   and name  HN  ))   (( segid    A and resid 14   and name  HA  ))      5.335     3.615     1.067 peak   155 weight  1.00000E+00 volume  4.37313E+06 ppm1      8.188 ppm2      4.360
 ASSI {  163}   (( segid    A and resid 13   and name  HN  ))   (  segid    A and resid 12   and name  HG1#)      5.371     3.651     1.074 peak   163 weight  1.00000E+00 volume  1.26108E+07 ppm1      8.188 ppm2      0.809
 ASSI {  164}   (( segid    A and resid 42   and name  HN  ))   (( segid    A and resid 55   and name  HN  ))      3.603     1.883     0.721 peak   164 weight  1.00000E+00 volume  3.93082E+07 ppm1      9.087 ppm2      8.799
 ASSI {  165}   (( segid    A and resid 42   and name  HN  ))   (( segid    A and resid 41   and name  HN  ))      4.619     2.899     0.924 peak   165 weight  1.00000E+00 volume  1.03790E+07 ppm1      9.086 ppm2      8.510
 ASSI {  166}   (( segid    A and resid 42   and name  HN  ))   (( segid    A and resid 57   and name  HN  ))      4.565     2.845     0.913 peak   166 weight  1.00000E+00 volume  5.86981E+06 ppm1      9.085 ppm2      7.708
 ASSI {  167}   (( segid    A and resid 42   and name  HN  ))   (  segid    A and resid 54   and name  HD# )      5.545     3.825     1.109 peak   167 weight  1.00000E+00 volume  6.94085E+06 ppm1      9.083 ppm2      7.147
 ASSI {  172}   (( segid    A and resid 42   and name  HN  ))   (( segid    A and resid 21   and name  HA  ))      5.325     3.605     1.065 peak   172 weight  1.00000E+00 volume  4.42449E+06 ppm1      9.086 ppm2      4.372
 ASSI {  174}   (( segid    A and resid 42   and name  HN  ))   (( segid    A and resid 21   and name  HB1 ))      5.002     3.282     1.000 peak   174 weight  1.00000E+00 volume  6.44073E+06 ppm1      9.088 ppm2      3.110
 ASSI {  175}   (( segid    A and resid 42   and name  HN  ))   (  segid    A and resid 54   and name  HB# )      5.275     3.555     1.055 peak   175 weight  1.00000E+00 volume  9.36466E+06 ppm1      9.086 ppm2      2.670
 ASSI {  178}   (( segid    A and resid 42   and name  HN  ))   (( segid    A and resid 42   and name  HB1 ))      4.172     2.452     0.834 peak   178 weight  1.00000E+00 volume  1.91270E+07 ppm1      9.088 ppm2      1.879
 ASSI {  180}   (( segid    A and resid 42   and name  HN  ))   (  segid    A and resid 17   and name  HG1#)      6.240     4.520     0.760 peak   180 weight  1.00000E+00 volume  5.12506E+06 ppm1      9.085 ppm2      0.788
 ASSI {  183}   (( segid    A and resid 64   and name  HN  ))   (( segid    A and resid 65   and name  HN  ))      4.429     2.709     0.886 peak   183 weight  1.00000E+00 volume  1.33696E+07 ppm1      8.290 ppm2      7.962
 ASSI {  184}   (( segid    A and resid 64   and name  HN  ))   (( segid    A and resid 63   and name  HN  ))      4.490     2.770     0.898 peak   184 weight  1.00000E+00 volume  1.23080E+07 ppm1      8.279 ppm2      8.123
 ASSI {  186}   (( segid    A and resid 64   and name  HN  ))   (  segid    A and resid 64   and name  HG# )      5.914     4.194     1.086 peak   186 weight  1.00000E+00 volume  4.71330E+06 ppm1      8.280 ppm2      2.343
 ASSI {  187}   (( segid    A and resid 64   and name  HN  ))   (( segid    A and resid 64   and name  HB1 ))      4.704     2.984     0.941 peak   187 weight  1.00000E+00 volume  9.30979E+06 ppm1      8.283 ppm2      2.099
 ASSI {  189}   (( segid    A and resid 6    and name  HN  ))   (( segid    A and resid 7    and name  HN  ))      3.826     2.106     0.765 peak   189 weight  1.00000E+00 volume  3.21514E+07 ppm1      8.201 ppm2      8.039
 ASSI {  190}   (( segid    A and resid 6    and name  HN  ))   (  segid    A and resid 7    and name  HD# )      5.913     4.193     1.087 peak   190 weight  1.00000E+00 volume  4.72164E+06 ppm1      8.200 ppm2      7.118
 ASSI {  193}   (( segid    A and resid 6    and name  HN  ))   (( segid    A and resid 6    and name  HG2 ))      4.218     2.498     0.844 peak   193 weight  1.00000E+00 volume  1.79147E+07 ppm1      8.199 ppm2      2.075
 ASSI {  194}   (( segid    A and resid 6    and name  HN  ))   (( segid    A and resid 6    and name  HB1 ))      4.001     2.281     0.800 peak   194 weight  1.00000E+00 volume  2.45990E+07 ppm1      8.201 ppm2      1.869
 ASSI {  196}   (( segid    A and resid 6    and name  HN  ))   (  segid    A and resid 5    and name  HG# )      5.793     4.073     1.159 peak   196 weight  1.00000E+00 volume  5.33916E+06 ppm1      8.201 ppm2      1.344
 ASSI {  197}   (( segid    A and resid 28   and name  HN  ))   (( segid    A and resid 29   and name  HN  ))      3.428     1.708     0.686 peak   197 weight  1.00000E+00 volume  6.21673E+07 ppm1      7.913 ppm2      8.679
 ASSI {  199}   (( segid    A and resid 28   and name  HN  ))   (  segid    A and resid 27   and name  HD# )      5.178     3.458     1.036 peak   199 weight  1.00000E+00 volume  1.04701E+07 ppm1      7.915 ppm2      7.150
 ASSI {  203}   (( segid    A and resid 56   and name  HN  ))   (( segid    A and resid 55   and name  HN  ))      4.639     2.919     0.928 peak   203 weight  1.00000E+00 volume  6.00288E+06 ppm1      9.241 ppm2      8.799
 ASSI {  204}   (( segid    A and resid 56   and name  HN  ))   (( segid    A and resid 57   and name  HN  ))      4.688     2.968     0.938 peak   204 weight  1.00000E+00 volume  6.57860E+06 ppm1      9.240 ppm2      7.714
 ASSI {  205}   (( segid    A and resid 56   and name  HN  ))   (( segid    A and resid 41   and name  HA  ))      5.428     3.708     1.086 peak   205 weight  1.00000E+00 volume  3.94350E+06 ppm1      9.240 ppm2      5.117
 ASSI {  210}   (( segid    A and resid 56   and name  HN  ))   (( segid    A and resid 55   and name  HE1 ))      3.816     2.096     0.763 peak   210 weight  1.00000E+00 volume  3.26568E+07 ppm1      9.240 ppm2      2.000
 ASSI {  213}   (( segid    A and resid 56   and name  HN  ))   (  segid    A and resid 41   and name  HG2#)      6.597     4.877     0.403 peak   213 weight  1.00000E+00 volume  3.67156E+06 ppm1      9.242 ppm2      0.686
 ASSI {  214}   (( segid    A and resid 56   and name  HN  ))   (( segid    A and resid 10   and name  HZ2 ))      5.322     3.602     1.064 peak   214 weight  1.00000E+00 volume  4.44060E+06 ppm1      9.235 ppm2      7.555
 ASSI {  223}   (( segid    A and resid 25   and name  HN  ))   (( segid    A and resid 24   and name  HB2 ))      4.300     2.512     0.000 peak   223 weight  1.00000E+00 volume  1.75509E+07 ppm1      8.703 ppm2      2.621
 ASSI {  224}   (( segid    A and resid 25   and name  HN  ))   (( segid    A and resid 28   and name  HB1 ))      4.158     2.438     0.832 peak   224 weight  1.00000E+00 volume  1.95272E+07 ppm1      8.703 ppm2      1.877
 ASSI {  225}   (( segid    A and resid 25   and name  HN  ))   (( segid    A and resid 28   and name  HB2 ))      3.750     2.030     0.750 peak   225 weight  1.00000E+00 volume  3.62510E+07 ppm1      8.703 ppm2      1.698
 ASSI {  227}   (( segid    A and resid 25   and name  HN  ))   (( segid    A and resid 28   and name  HN  ))      3.427     1.707     0.685 peak   227 weight  1.00000E+00 volume  1.00595E+07 ppm1      8.699 ppm2      7.904
 ASSI {  230}   (( segid    A and resid 63   and name  HN  ))   (( segid    A and resid 63   and name  HA  ))      3.727     2.007     0.745 peak   230 weight  1.00000E+00 volume  3.76600E+07 ppm1      8.150 ppm2      4.251
 ASSI {  232}   (( segid    A and resid 63   and name  HN  ))   (( segid    A and resid 63   and name  HB1 ))      3.996     2.276     0.799 peak   232 weight  1.00000E+00 volume  2.47884E+07 ppm1      8.152 ppm2      2.035
 ASSI {  233}   (( segid    A and resid 63   and name  HN  ))   (( segid    A and resid 63   and name  HB2 ))      3.573     1.853     0.715 peak   233 weight  1.00000E+00 volume  4.84644E+07 ppm1      8.150 ppm2      1.915
 ASSI {  234}   (( segid    A and resid 63   and name  HN  ))   (  segid    A and resid 61   and name  HB# )      7.000     5.280     0.000 peak   234 weight  1.00000E+00 volume  1.27182E+06 ppm1      8.154 ppm2      1.567
 ASSI {  235}   (( segid    A and resid 63   and name  HN  ))   (( segid    A and resid 62   and name  HN  ))      3.410     1.690     0.682 peak   235 weight  1.00000E+00 volume  4.50915E+07 ppm1      8.150 ppm2      7.956
 ASSI {  237}   (( segid    A and resid 28   and name  HN  ))   (( segid    A and resid 27   and name  HN  ))      3.398     1.678     0.680 peak   237 weight  1.00000E+00 volume  6.55005E+07 ppm1      7.913 ppm2      8.149
 ASSI {  238}   (( segid    A and resid 28   and name  HN  ))   (( segid    A and resid 30   and name  HN  ))      4.854     3.134     0.971 peak   238 weight  1.00000E+00 volume  6.95239E+06 ppm1      7.914 ppm2      7.309
 ASSI {  242}   (( segid    A and resid 28   and name  HN  ))   (( segid    A and resid 24   and name  HB2 ))      4.980     3.260     0.996 peak   242 weight  1.00000E+00 volume  6.61600E+06 ppm1      7.914 ppm2      2.624
 ASSI {  246}   (( segid    A and resid 7    and name  HN  ))   (  segid    A and resid 7    and name  HE# )      5.556     3.836     1.111 peak   246 weight  1.00000E+00 volume  6.86209E+06 ppm1      8.052 ppm2      7.245
 ASSI {  247}   (( segid    A and resid 7    and name  HN  ))   (  segid    A and resid 7    and name  HD# )      4.856     3.136     0.971 peak   247 weight  1.00000E+00 volume  1.53777E+07 ppm1      8.054 ppm2      7.120
 ASSI {  254}   (( segid    A and resid 7    and name  HN  ))   (( segid    A and resid 6    and name  HG2 ))      5.039     3.319     1.008 peak   254 weight  1.00000E+00 volume  6.16410E+06 ppm1      8.052 ppm2      2.078
 ASSI {  255}   (( segid    A and resid 7    and name  HN  ))   (( segid    A and resid 6    and name  HB1 ))      3.973     2.253     0.795 peak   255 weight  1.00000E+00 volume  2.56350E+07 ppm1      8.053 ppm2      1.869
 ASSI {  258}   (( segid    A and resid 24   and name  HN  ))   (( segid    A and resid 41   and name  HN  ))      4.331     2.611     0.866 peak   258 weight  1.00000E+00 volume  1.52886E+07 ppm1      8.757 ppm2      8.504
 ASSI {  259}   (( segid    A and resid 24   and name  HN  ))   (  segid    A and resid 40   and name  HD# )      5.924     4.204     1.076 peak   259 weight  1.00000E+00 volume  4.67008E+06 ppm1      8.756 ppm2      6.944
 ASSI {  262}   (( segid    A and resid 24   and name  HN  ))   (  segid    A and resid 29   and name  HB# )      6.543     4.823     0.457 peak   262 weight  1.00000E+00 volume  3.85595E+06 ppm1      8.757 ppm2      1.339
 ASSI {  263}   (( segid    A and resid 24   and name  HN  ))   (  segid    A and resid 41   and name  HG1#)      6.234     4.514     0.766 peak   263 weight  1.00000E+00 volume  5.15781E+06 ppm1      8.756 ppm2      0.586
 ASSI {  268}   (( segid    A and resid 24   and name  HN  ))   (( segid    A and resid 39   and name  HA1 ))      4.958     3.238     0.992 peak   268 weight  1.00000E+00 volume  6.79358E+06 ppm1      8.752 ppm2      4.039
 ASSI {  272}   (( segid    A and resid 24   and name  HN  ))   (( segid    A and resid 24   and name  HB2 ))      3.737     2.017     0.747 peak   272 weight  1.00000E+00 volume  3.70325E+07 ppm1      8.755 ppm2      2.620
 ASSI {  284}   (( segid    A and resid 57   and name  HN  ))   (( segid    A and resid 58   and name  HN  ))      4.665     2.945     0.933 peak   284 weight  1.00000E+00 volume  9.79167E+06 ppm1      7.720 ppm2      8.493
 ASSI {  293}   (( segid    A and resid 21   and name  HN  ))   (( segid    A and resid 42   and name  HA  ))      4.619     2.899     0.924 peak   293 weight  1.00000E+00 volume  1.03925E+07 ppm1      9.047 ppm2      4.782
 ASSI {  299}   (( segid    A and resid 21   and name  HN  ))   (( segid    A and resid 42   and name  HB2 ))      3.894     2.174     0.779 peak   299 weight  1.00000E+00 volume  2.89532E+07 ppm1      9.047 ppm2      2.209
 ASSI {  303}   (( segid    A and resid 21   and name  HN  ))   (  segid    A and resid 17   and name  HG1#)      4.937     3.217     0.987 peak   303 weight  1.00000E+00 volume  2.09018E+07 ppm1      9.047 ppm2      0.784
 ASSI {  305}   (( segid    A and resid 26   and name  HN  ))   (( segid    A and resid 25   and name  HA  ))      4.400     2.680     0.880 peak   305 weight  1.00000E+00 volume  1.39006E+07 ppm1      8.997 ppm2      4.413
 ASSI {  306}   (( segid    A and resid 26   and name  HN  ))   (( segid    A and resid 26   and name  HA  ))      4.045     2.325     0.809 peak   306 weight  1.00000E+00 volume  2.30340E+07 ppm1      8.997 ppm2      4.317
 ASSI {  307}   (( segid    A and resid 26   and name  HN  ))   (( segid    A and resid 26   and name  HB1 ))      4.186     2.466     0.837 peak   307 weight  1.00000E+00 volume  1.87533E+07 ppm1      8.999 ppm2      2.757
 ASSI {  314}   (( segid    A and resid 55   and name  HN  ))   (( segid    A and resid 34   and name  HG2 ))      6.205     4.485     0.795 peak   314 weight  1.00000E+00 volume  1.76789E+06 ppm1      8.805 ppm2      2.483
 ASSI {  315}   (( segid    A and resid 55   and name  HN  ))   (( segid    A and resid 42   and name  HG1 ))      4.792     3.072     0.958 peak   315 weight  1.00000E+00 volume  8.32541E+06 ppm1      8.804 ppm2      2.122
 ASSI {  316}   (( segid    A and resid 55   and name  HN  ))   (( segid    A and resid 55   and name  HE2 ))      5.502     3.782     1.100 peak   316 weight  1.00000E+00 volume  3.63698E+06 ppm1      8.808 ppm2      1.599
 ASSI {  317}   (( segid    A and resid 55   and name  HN  ))   (  segid    A and resid 44   and name  HG2#)      4.758     3.038     0.952 peak   317 weight  1.00000E+00 volume  2.60771E+07 ppm1      8.803 ppm2      0.683
 ASSI {  318}   (( segid    A and resid 55   and name  HN  ))   (  segid    A and resid 54   and name  HD# )      4.831     3.111     0.966 peak   318 weight  1.00000E+00 volume  1.58769E+07 ppm1      8.803 ppm2      7.150
 ASSI {  320}   (( segid    A and resid 55   and name  HN  ))   (( segid    A and resid 42   and name  HG2 ))      4.435     2.715     0.887 peak   320 weight  1.00000E+00 volume  1.32482E+07 ppm1      8.803 ppm2      2.209
 ASSI {  327}   (( segid    A and resid 29   and name  HN  ))   (( segid    A and resid 30   and name  HN  ))      3.514     1.794     0.703 peak   327 weight  1.00000E+00 volume  5.35993E+07 ppm1      8.688 ppm2      7.305
 ASSI {  328}   (( segid    A and resid 29   and name  HN  ))   (( segid    A and resid 31   and name  HN  ))      4.750     3.030     0.950 peak   328 weight  1.00000E+00 volume  8.78568E+06 ppm1      8.685 ppm2      7.156
 ASSI {  333}   (( segid    A and resid 29   and name  HN  ))   (( segid    A and resid 24   and name  HB2 ))      3.513     1.993     0.000 peak   333 weight  1.00000E+00 volume  3.84936E+07 ppm1      8.684 ppm2      2.620
 ASSI {  338}   (( segid    A and resid 53   and name  HN  ))   (( segid    A and resid 52   and name  HN  ))      3.671     1.951     0.734 peak   338 weight  1.00000E+00 volume  3.76773E+07 ppm1      8.681 ppm2      8.478
 ASSI {  342}   (( segid    A and resid 53   and name  HN  ))   (( segid    A and resid 54   and name  HA  ))      4.906     3.186     0.981 peak   342 weight  1.00000E+00 volume  7.23328E+06 ppm1      8.674 ppm2      5.377
 ASSI {  348}   (( segid    A and resid 53   and name  HN  ))   (( segid    A and resid 43   and name  HG2 ))      4.744     3.024     0.949 peak   348 weight  1.00000E+00 volume  8.84528E+06 ppm1      8.674 ppm2      0.881
 ASSI {  353}   (( segid    A and resid 52   and name  HN  ))   (( segid    A and resid 52   and name  HD22))      4.486     2.766     0.897 peak   353 weight  1.00000E+00 volume  1.23755E+07 ppm1      8.491 ppm2      7.356
 ASSI {  354}   (( segid    A and resid 52   and name  HN  ))   (( segid    A and resid 51   and name  HN  ))      4.551     2.831     0.910 peak   354 weight  1.00000E+00 volume  1.06775E+07 ppm1      8.494 ppm2      7.272
 ASSI {  360}   (( segid    A and resid 52   and name  HN  ))   (  segid    A and resid 53   and name  HG# )      5.750     4.030     1.150 peak   360 weight  1.00000E+00 volume  5.58182E+06 ppm1      8.491 ppm2      2.329
 ASSI {  362}   (( segid    A and resid 52   and name  HN  ))   (( segid    A and resid 51   and name  HB2 ))      3.717     1.997     0.743 peak   362 weight  1.00000E+00 volume  3.82767E+07 ppm1      8.493 ppm2      1.863
 ASSI {  366}   (( segid    A and resid 4    and name  HN  ))   (( segid    A and resid 4    and name  HA  ))      4.416     2.696     0.883 peak   366 weight  1.00000E+00 volume  1.36040E+07 ppm1      8.155 ppm2      4.407
 ASSI {  367}   (( segid    A and resid 4    and name  HN  ))   (( segid    A and resid 4    and name  HB1 ))      4.867     3.147     0.973 peak   367 weight  1.00000E+00 volume  7.59203E+06 ppm1      8.155 ppm2      2.043
 ASSI {  368}   (( segid    A and resid 4    and name  HN  ))   (( segid    A and resid 4    and name  HB2 ))      3.927     2.207     0.785 peak   368 weight  1.00000E+00 volume  2.75242E+07 ppm1      8.156 ppm2      1.947
 ASSI {  370}   (( segid    A and resid 62   and name  HN  ))   (( segid    A and resid 62   and name  HB1 ))      4.262     2.542     0.852 peak   370 weight  1.00000E+00 volume  1.68416E+07 ppm1      7.966 ppm2      2.060
 ASSI {  376}   (( segid    A and resid 11   and name  HN  ))   (( segid    A and resid 12   and name  HN  ))      3.142     1.422     0.628 peak   376 weight  1.00000E+00 volume  1.04773E+08 ppm1      6.992 ppm2      7.312
 ASSI {  377}   (( segid    A and resid 11   and name  HN  ))   (( segid    A and resid 10   and name  HN  ))      3.503     1.783     0.701 peak   377 weight  1.00000E+00 volume  4.70316E+07 ppm1      6.992 ppm2      6.678
 ASSI {  383}   (( segid    A and resid 11   and name  HN  ))   (  segid    A and resid 12   and name  HG1#)      5.557     3.837     1.111 peak   383 weight  1.00000E+00 volume  1.02716E+07 ppm1      6.993 ppm2      0.805
 ASSI {  385}   (( segid    A and resid 11   and name  HN  ))   (  segid    A and resid 11   and name  HD1#)      4.924     3.204     0.985 peak   385 weight  1.00000E+00 volume  4.24703E+07 ppm1      6.992 ppm2      0.595
 OR {  385}
   (( segid    A and resid 11   and name  HN  ))   (  segid    A and resid 11   and name  HD2#) ASSI {  390}   (( segid    A and resid 58   and name  HN  ))   (( segid    A and resid 59   and name  HN  ))      4.190     2.470     0.838 peak   390 weight  1.00000E+00 volume  1.86390E+07 ppm1      8.492 ppm2      7.736
 ASSI {  397}   (( segid    A and resid 58   and name  HN  ))   (  segid    A and resid 38   and name  HG2#)      6.773     5.053     0.227 peak   397 weight  1.00000E+00 volume  3.13372E+06 ppm1      8.491 ppm2      1.029
 ASSI {  399}   (( segid    A and resid 61   and name  HN  ))   (  segid    A and resid 61   and name  HD2#)      6.295     4.575     0.705 peak   399 weight  1.00000E+00 volume  4.86315E+06 ppm1      7.963 ppm2      0.848
 ASSI {  400}   (( segid    A and resid 61   and name  HN  ))   (( segid    A and resid 59   and name  HN  ))      3.775     2.055     0.755 peak   400 weight  1.00000E+00 volume  3.48775E+07 ppm1      7.965 ppm2      7.738
 ASSI {  402}   (( segid    A and resid 61   and name  HN  ))   (( segid    A and resid 59   and name  HA  ))      4.786     3.066     0.957 peak   402 weight  1.00000E+00 volume  8.39652E+06 ppm1      7.961 ppm2      3.848
 ASSI {  403}   (( segid    A and resid 61   and name  HN  ))   (( segid    A and resid 59   and name  HB1 ))      4.696     2.976     0.939 peak   403 weight  1.00000E+00 volume  9.41016E+06 ppm1      7.964 ppm2      3.438
 ASSI {  406}   (( segid    A and resid 61   and name  HN  ))   (  segid    A and resid 60   and name  HB# )      4.553     2.833     0.911 peak   406 weight  1.00000E+00 volume  3.39485E+07 ppm1      7.961 ppm2      1.338
 ASSI {  407}   (( segid    A and resid 61   and name  HN  ))   (  segid    A and resid 61   and name  HD1#)      6.576     4.856     0.424 peak   407 weight  1.00000E+00 volume  3.74103E+06 ppm1      7.963 ppm2      0.902
 ASSI {  408}   (( segid    A and resid 47   and name  HN  ))   (( segid    A and resid 14   and name  HN  ))      4.973     3.253     0.995 peak   408 weight  1.00000E+00 volume  3.87743E+06 ppm1      9.036 ppm2      8.186
 ASSI {  409}   (( segid    A and resid 47   and name  HN  ))   (  segid    A and resid 45   and name  HG2#)      6.153     4.433     0.847 peak   409 weight  1.00000E+00 volume  5.57445E+06 ppm1      9.039 ppm2      0.961
 ASSI {  410}   (( segid    A and resid 47   and name  HN  ))   (( segid    A and resid 46   and name  HN  ))      4.166     2.446     0.833 peak   410 weight  1.00000E+00 volume  1.92822E+07 ppm1      9.035 ppm2      9.236
 ASSI {  411}   (( segid    A and resid 47   and name  HN  ))   (( segid    A and resid 48   and name  HN  ))      3.666     1.946     0.733 peak   411 weight  1.00000E+00 volume  4.15375E+07 ppm1      9.036 ppm2      8.906
 ASSI {  412}   (( segid    A and resid 47   and name  HN  ))   (  segid    A and resid 15   and name  HD# )      5.718     3.998     1.144 peak   412 weight  1.00000E+00 volume  5.77123E+06 ppm1      9.039 ppm2      7.185
 ASSI {  419}   (( segid    A and resid 47   and name  HN  ))   (( segid    A and resid 16   and name  HN  ))      4.220     2.500     0.844 peak   419 weight  1.00000E+00 volume  1.78535E+07 ppm1      9.034 ppm2      8.444
 ASSI {  424}   (( segid    A and resid 14   and name  HN  ))   (( segid    A and resid 48   and name  HN  ))      4.970     3.250     0.994 peak   424 weight  1.00000E+00 volume  6.69577E+06 ppm1      8.206 ppm2      8.911
 ASSI {  425}   (( segid    A and resid 14   and name  HN  ))   (( segid    A and resid 15   and name  HN  ))      3.888     2.168     0.778 peak   425 weight  1.00000E+00 volume  1.98926E+07 ppm1      8.207 ppm2      8.088
 ASSI {  439}   (( segid    A and resid 32   and name  HN  ))   (( segid    A and resid 31   and name  HN  ))      3.042     1.322     0.608 peak   439 weight  1.00000E+00 volume  1.27377E+08 ppm1      7.539 ppm2      7.154
 ASSI {  449}   (( segid    A and resid 32   and name  HN  ))   (  segid    A and resid 31   and name  HG2#)      5.414     3.694     1.083 peak   449 weight  1.00000E+00 volume  1.20223E+07 ppm1      7.540 ppm2      0.940
 ASSI {  453}   (( segid    A and resid 45   and name  HN  ))   (( segid    A and resid 16   and name  HN  ))      3.617     1.897     0.723 peak   453 weight  1.00000E+00 volume  3.24154E+07 ppm1      9.002 ppm2      8.438
 ASSI {  454}   (( segid    A and resid 45   and name  HN  ))   (  segid    A and resid 15   and name  HD# )      5.321     3.601     1.064 peak   454 weight  1.00000E+00 volume  8.88589E+06 ppm1      9.003 ppm2      7.178
 ASSI {  457}   (( segid    A and resid 45   and name  HN  ))   (( segid    A and resid 16   and name  HA  ))      4.493     2.773     0.899 peak   457 weight  1.00000E+00 volume  1.22645E+07 ppm1      9.007 ppm2      4.493
 ASSI {  461}   (( segid    A and resid 45   and name  HN  ))   (( segid    A and resid 16   and name  HB  ))      4.883     3.163     0.977 peak   461 weight  1.00000E+00 volume  7.44208E+06 ppm1      9.006 ppm2      2.003
 ASSI {  463}   (( segid    A and resid 45   and name  HN  ))   (  segid    A and resid 18   and name  HB# )      5.127     3.407     1.025 peak   463 weight  1.00000E+00 volume  1.66620E+07 ppm1      9.002 ppm2      1.205
 ASSI {  469}   (( segid    A and resid 45   and name  HN  ))   (( segid    A and resid 18   and name  HA  ))      5.154     3.434     1.031 peak   469 weight  1.00000E+00 volume  5.38230E+06 ppm1      8.999 ppm2      4.352
 ASSI {  471}   (( segid    A and resid 54   and name  HN  ))   (  segid    A and resid 44   and name  HG2#)      6.469     4.749     0.531 peak   471 weight  1.00000E+00 volume  4.13083E+06 ppm1      8.880 ppm2      0.682
 ASSI {  472}   (( segid    A and resid 54   and name  HN  ))   (( segid    A and resid 53   and name  HN  ))      4.920     3.200     0.984 peak   472 weight  1.00000E+00 volume  7.11544E+06 ppm1      8.874 ppm2      8.669
 ASSI {  480}   (( segid    A and resid 54   and name  HN  ))   (  segid    A and resid 32   and name  HG2#)      6.566     4.846     0.434 peak   480 weight  1.00000E+00 volume  3.77646E+06 ppm1      8.877 ppm2      0.797
 ASSI {  481}   (( segid    A and resid 54   and name  HN  ))   (  segid    A and resid 44   and name  HD1#)      6.188     4.468     0.812 peak   481 weight  1.00000E+00 volume  5.38895E+06 ppm1      8.878 ppm2      0.582
 ASSI {  482}   (( segid    A and resid 49   and name  HN  ))   (( segid    A and resid 50   and name  HB1 ))      5.365     3.645     1.073 peak   482 weight  1.00000E+00 volume  4.22958E+06 ppm1     10.082 ppm2      2.127
 ASSI {  483}   (( segid    A and resid 49   and name  HN  ))   (( segid    A and resid 47   and name  HN  ))      5.250     3.530     1.050 peak   483 weight  1.00000E+00 volume  4.81760E+06 ppm1     10.076 ppm2      9.006
 ASSI {  484}   (( segid    A and resid 49   and name  HN  ))   (( segid    A and resid 48   and name  HN  ))      3.479     1.759     0.696 peak   484 weight  1.00000E+00 volume  5.68458E+07 ppm1     10.072 ppm2      8.909
 ASSI {  485}   (( segid    A and resid 49   and name  HN  ))   (( segid    A and resid 50   and name  HN  ))      3.432     1.712     0.686 peak   485 weight  1.00000E+00 volume  4.18530E+07 ppm1     10.074 ppm2      7.605
 ASSI {  492}   (( segid    A and resid 49   and name  HN  ))   (( segid    A and resid 51   and name  HN  ))      4.699     2.979     0.940 peak   492 weight  1.00000E+00 volume  5.74666E+06 ppm1     10.069 ppm2      7.269
 ASSI {  493}   (( segid    A and resid 49   and name  HN  ))   (( segid    A and resid 13   and name  HG2 ))      5.520     3.800     1.104 peak   493 weight  1.00000E+00 volume  3.56654E+06 ppm1     10.069 ppm2      2.370
 ASSI {  495}   (( segid    A and resid 34   and name  HN  ))   (( segid    A and resid 36   and name  HN  ))      5.090     3.370     1.018 peak   495 weight  1.00000E+00 volume  2.52936E+06 ppm1      9.511 ppm2      8.203
 ASSI {  496}   (( segid    A and resid 34   and name  HN  ))   (( segid    A and resid 35   and name  HN  ))      3.671     1.951     0.734 peak   496 weight  1.00000E+00 volume  3.08281E+07 ppm1      9.511 ppm2      7.879
 ASSI {  508}   (( segid    A and resid 34   and name  HN  ))   (  segid    A and resid 41   and name  HG2#)      6.684     4.964     0.316 peak   508 weight  1.00000E+00 volume  3.39464E+06 ppm1      9.508 ppm2      0.694
 ASSI {  509}   (( segid    A and resid 34   and name  HN  ))   (  segid    A and resid 41   and name  HG1#)      5.986     4.266     1.014 peak   509 weight  1.00000E+00 volume  6.57518E+06 ppm1      9.512 ppm2      0.590
 ASSI {  510}   (( segid    A and resid 27   and name  HN  ))   (( segid    A and resid 29   and name  HN  ))      4.545     2.825     0.909 peak   510 weight  1.00000E+00 volume  1.14472E+07 ppm1      8.157 ppm2      8.676
 ASSI {  512}   (( segid    A and resid 27   and name  HN  ))   (  segid    A and resid 27   and name  HD# )      5.291     3.571     1.058 peak   512 weight  1.00000E+00 volume  9.19423E+06 ppm1      8.160 ppm2      7.157
 ASSI {  524}   (( segid    A and resid 51   and name  HN  ))   (( segid    A and resid 50   and name  HN  ))      3.367     1.647     0.673 peak   524 weight  1.00000E+00 volume  6.92261E+07 ppm1      7.283 ppm2      7.605
 ASSI {  525}   (( segid    A and resid 51   and name  HN  ))   (( segid    A and resid 45   and name  HA  ))      5.338     3.618     1.068 peak   525 weight  1.00000E+00 volume  4.36074E+06 ppm1      7.284 ppm2      5.091
 ASSI {  535}   (( segid    A and resid 51   and name  HN  ))   (  segid    A and resid 45   and name  HG2#)      5.376     3.656     1.075 peak   535 weight  1.00000E+00 volume  1.25317E+07 ppm1      7.280 ppm2      0.962
 ASSI {  543}   (( segid    A and resid 48   and name  HN  ))   (( segid    A and resid 50   and name  HN  ))      4.198     2.478     0.840 peak   543 weight  1.00000E+00 volume  1.66906E+07 ppm1      8.918 ppm2      7.605
 ASSI {  550}   (( segid    A and resid 48   and name  HN  ))   (( segid    A and resid 13   and name  HG2 ))      4.889     3.169     0.978 peak   550 weight  1.00000E+00 volume  7.38859E+06 ppm1      8.910 ppm2      2.372
 ASSI {  552}   (( segid    A and resid 10   and name  HN  ))   (( segid    A and resid 12   and name  HN  ))      4.805     3.085     0.961 peak   552 weight  1.00000E+00 volume  8.20005E+06 ppm1      6.691 ppm2      7.311
 ASSI {  562}   (( segid    A and resid 10   and name  HN  ))   (  segid    A and resid 53   and name  HG# )      5.356     3.636     1.071 peak   562 weight  1.00000E+00 volume  8.54713E+06 ppm1      6.688 ppm2      2.338
 ASSI {  564}   (( segid    A and resid 10   and name  HN  ))   (( segid    A and resid 8    and name  HB2 ))      4.577     2.857     0.915 peak   564 weight  1.00000E+00 volume  1.09775E+07 ppm1      6.687 ppm2      1.698
 ASSI {  565}   (( segid    A and resid 10   and name  HN  ))   (( segid    A and resid 53   and name  HB1 ))      5.217     3.497     1.043 peak   565 weight  1.00000E+00 volume  5.00322E+06 ppm1      6.687 ppm2      1.598
 ASSI {  567}   (( segid    A and resid 10   and name  HN  ))   (( segid    A and resid 11   and name  HG  ))      4.506     2.786     0.901 peak   567 weight  1.00000E+00 volume  1.20479E+07 ppm1      6.687 ppm2      0.671
 ASSI {  575}   (( segid    A and resid 19   and name  HN  ))   (( segid    A and resid 19   and name  HG2 ))      4.719     2.999     0.944 peak   575 weight  1.00000E+00 volume  9.13219E+06 ppm1      7.866 ppm2      2.400
 ASSI {  583}   (( segid    A and resid 19   and name  HN  ))   (  segid    A and resid 43   and name  HD# )      5.280     3.560     1.056 peak   583 weight  1.00000E+00 volume  9.31329E+06 ppm1      7.863 ppm2      1.336
 ASSI {  592}   (( segid    A and resid 59   and name  HN  ))   (  segid    A and resid 38   and name  HG2#)      6.313     4.593     0.687 peak   592 weight  1.00000E+00 volume  4.78272E+06 ppm1      7.749 ppm2      1.024
 ASSI {  595}   (( segid    A and resid 50   and name  HN  ))   (( segid    A and resid 46   and name  HN  ))      4.893     3.173     0.979 peak   595 weight  1.00000E+00 volume  7.35187E+06 ppm1      7.614 ppm2      9.243
 ASSI {  599}   (( segid    A and resid 50   and name  HN  ))   (( segid    A and resid 48   and name  HA  ))      4.766     3.046     0.953 peak   599 weight  1.00000E+00 volume  8.61018E+06 ppm1      7.615 ppm2      4.564
 ASSI {  603}   (( segid    A and resid 50   and name  HN  ))   (( segid    A and resid 49   and name  HB2 ))      4.090     2.370     0.818 peak   603 weight  1.00000E+00 volume  2.15600E+07 ppm1      7.617 ppm2      3.905
 ASSI {  612}   (( segid    A and resid 50   and name  HN  ))   (  segid    A and resid 50   and name  HE# )      6.106     4.386     0.894 peak   612 weight  1.00000E+00 volume  3.89264E+06 ppm1      7.610 ppm2      2.998
 ASSI {  614}   (( segid    A and resid 15   and name  HN  ))   (( segid    A and resid 16   and name  HA  ))      5.356     3.636     1.071 peak   614 weight  1.00000E+00 volume  4.27532E+06 ppm1      8.108 ppm2      4.482
 ASSI {  615}   (( segid    A and resid 15   and name  HN  ))   (( segid    A and resid 47   and name  HN  ))      4.923     3.203     0.985 peak   615 weight  1.00000E+00 volume  7.08778E+06 ppm1      8.098 ppm2      9.018
 ASSI {  616}   (( segid    A and resid 15   and name  HN  ))   (( segid    A and resid 16   and name  HN  ))      4.485     2.765     0.897 peak   616 weight  1.00000E+00 volume  1.23961E+07 ppm1      8.100 ppm2      8.430
 ASSI {  617}   (( segid    A and resid 15   and name  HN  ))   (  segid    A and resid 15   and name  HE# )      5.346     3.626     1.069 peak   617 weight  1.00000E+00 volume  8.64381E+06 ppm1      8.100 ppm2      7.376
 ASSI {  620}   (( segid    A and resid 15   and name  HN  ))   (( segid    A and resid 46   and name  HA  ))      4.848     3.128     0.970 peak   620 weight  1.00000E+00 volume  7.77295E+06 ppm1      8.097 ppm2      4.548
 ASSI {  627}   (( segid    A and resid 15   and name  HN  ))   (  segid    A and resid 16   and name  HG2#)      5.942     4.222     1.058 peak   627 weight  1.00000E+00 volume  6.87621E+06 ppm1      8.101 ppm2      0.836
 ASSI {  628}   (( segid    A and resid 35   and name  HN  ))   (( segid    A and resid 36   and name  HN  ))      3.447     1.727     0.689 peak   628 weight  1.00000E+00 volume  5.51160E+07 ppm1      7.891 ppm2      8.199
 ASSI {  643}   (( segid    A and resid 35   and name  HN  ))   (( segid    A and resid 39   and name  HN  ))      4.335     2.615     0.867 peak   643 weight  1.00000E+00 volume  1.52085E+07 ppm1      7.887 ppm2      7.958
 ASSI {  646}   (( segid    A and resid 16   and name  HN  ))   (  segid    A and resid 15   and name  HE# )      6.103     4.383     0.897 peak   646 weight  1.00000E+00 volume  3.90561E+06 ppm1      8.452 ppm2      7.379
 ASSI {  662}   (( segid    A and resid 30   and name  HN  ))   (( segid    A and resid 32   and name  HN  ))      4.120     2.400     0.824 peak   662 weight  1.00000E+00 volume  1.56957E+07 ppm1      7.316 ppm2      7.524
 ASSI {  663}   (( segid    A and resid 30   and name  HN  ))   (( segid    A and resid 31   and name  HN  ))      3.284     1.564     0.657 peak   663 weight  1.00000E+00 volume  8.04295E+07 ppm1      7.317 ppm2      7.155
 ASSI {  665}   (( segid    A and resid 30   and name  HN  ))   (( segid    A and resid 27   and name  HA  ))      4.384     2.664     0.877 peak   665 weight  1.00000E+00 volume  1.42006E+07 ppm1      7.317 ppm2      4.227
 ASSI {  680}   (( segid    A and resid 41   and name  HN  ))   (( segid    A and resid 57   and name  HN  ))      5.494     3.774     1.099 peak   680 weight  1.00000E+00 volume  3.66747E+06 ppm1      8.513 ppm2      7.711
 ASSI {  681}   (( segid    A and resid 41   and name  HN  ))   (  segid    A and resid 40   and name  HD# )      5.237     3.517     1.047 peak   681 weight  1.00000E+00 volume  9.77707E+06 ppm1      8.517 ppm2      6.934
 ASSI {  682}   (( segid    A and resid 41   and name  HN  ))   (  segid    A and resid 40   and name  HE# )      6.465     4.745     0.535 peak   682 weight  1.00000E+00 volume  2.76319E+06 ppm1      8.517 ppm2      6.840
 ASSI {  689}   (( segid    A and resid 3    and name  HN  ))   (  segid    A and resid 3    and name  HA# )      5.779     4.059     1.156 peak   689 weight  1.00000E+00 volume  5.41511E+06 ppm1      8.555 ppm2      3.938
 ASSI {  690}   (( segid    A and resid 39   and name  HN  ))   (( segid    A and resid 38   and name  HN  ))      3.130     1.410     0.626 peak   690 weight  1.00000E+00 volume  1.07238E+08 ppm1      7.981 ppm2      8.909
 ASSI {  692}   (( segid    A and resid 39   and name  HN  ))   (  segid    A and resid 40   and name  HD# )      5.832     4.112     1.166 peak   692 weight  1.00000E+00 volume  5.12699E+06 ppm1      7.981 ppm2      6.930
 ASSI {  695}   (( segid    A and resid 39   and name  HN  ))   (( segid    A and resid 37   and name  HD1 ))      4.830     3.110     0.966 peak   695 weight  1.00000E+00 volume  7.94653E+06 ppm1      7.981 ppm2      3.676
 ASSI {  696}   (( segid    A and resid 39   and name  HN  ))   (( segid    A and resid 40   and name  HB1 ))      5.622     3.902     1.124 peak   696 weight  1.00000E+00 volume  3.19495E+06 ppm1      7.984 ppm2      2.893
 ASSI {  697}   (( segid    A and resid 39   and name  HN  ))   (( segid    A and resid 37   and name  HG1 ))      4.862     3.142     0.972 peak   697 weight  1.00000E+00 volume  7.63648E+06 ppm1      7.982 ppm2      1.987
 ASSI {  700}   (( segid    A and resid 39   and name  HN  ))   (( segid    A and resid 35   and name  HB2 ))      5.108     3.388     1.022 peak   700 weight  1.00000E+00 volume  5.67634E+06 ppm1      7.976 ppm2      3.011
 ASSI {  712}   (( segid    A and resid 12   and name  HN  ))   (  segid    A and resid 11   and name  HD1#)      6.387     4.667     0.613 peak   712 weight  1.00000E+00 volume  8.91579E+06 ppm1      7.327 ppm2      0.594
 OR {  712}
   (( segid    A and resid 12   and name  HN  ))   (  segid    A and resid 11   and name  HD2#) ASSI {  714}   (( segid    A and resid 12   and name  HN  ))   (( segid    A and resid 13   and name  HA  ))      5.039     3.319     1.008 peak   714 weight  1.00000E+00 volume  6.16251E+06 ppm1      7.325 ppm2      4.728
 ASSI {  727}   (( segid    A and resid 36   and name  HN  ))   (  segid    A and resid 32   and name  HG2#)      6.516     4.796     0.484 peak   727 weight  1.00000E+00 volume  3.95339E+06 ppm1      8.205 ppm2      0.795
 ASSI {  728}   (( segid    A and resid 36   and name  HN  ))   (  segid    A and resid 41   and name  HG1#)      6.811     5.091     0.189 peak   728 weight  1.00000E+00 volume  3.03015E+06 ppm1      8.205 ppm2      0.591
 ASSI {  735}   (( segid    A and resid 31   and name  HN  ))   (( segid    A and resid 32   and name  HB  ))      4.666     2.946     0.933 peak   735 weight  1.00000E+00 volume  9.76847E+06 ppm1      7.163 ppm2      3.978
 ASSI {  742}   (( segid    A and resid 31   and name  HN  ))   (  segid    A and resid 32   and name  HG2#)      7.000     5.280     0.000 peak   742 weight  1.00000E+00 volume  2.20162E+06 ppm1      7.167 ppm2      0.799
 ASSI {  754}   (( segid    A and resid 40   and name  HN  ))   (( segid    A and resid 38   and name  HG1 ))      3.890     2.170     0.778 peak   754 weight  1.00000E+00 volume  2.91227E+07 ppm1      8.599 ppm2      5.777
 ASSI {  755}   (( segid    A and resid 6    and name  HN  ))   (  segid    A and resid 5    and name  HB# )      4.270     2.550     0.854 peak   755 weight  1.00000E+00 volume  3.33022E+07 ppm1      8.200 ppm2      1.690
 ASSI {  757}   (( segid    A and resid 9    and name  HN  ))   (( segid    A and resid 51   and name  HD2 ))      5.331     3.611     1.066 peak   757 weight  1.00000E+00 volume  4.39701E+06 ppm1      9.647 ppm2      3.231
 ASSI {  758}   (( segid    A and resid 9    and name  HN  ))   (  segid    A and resid 11   and name  HB# )      6.379     4.659     0.621 peak   758 weight  1.00000E+00 volume  2.99285E+06 ppm1      9.656 ppm2      1.373
 ASSI {  759}   (( segid    A and resid 9    and name  HN  ))   (( segid    A and resid 11   and name  HN  ))      4.985     3.265     0.997 peak   759 weight  1.00000E+00 volume  2.61114E+06 ppm1      9.647 ppm2      6.987
 ASSI {  760}   (( segid    A and resid 10   and name  HN  ))   (( segid    A and resid 13   and name  HN  ))      5.345     3.625     1.069 peak   760 weight  1.00000E+00 volume  4.32566E+06 ppm1      6.688 ppm2      8.185
 ASSI {  761}   (( segid    A and resid 10   and name  HN  ))   (  segid    A and resid 12   and name  HG2#)      6.433     4.713     0.567 peak   761 weight  1.00000E+00 volume  4.26883E+06 ppm1      6.689 ppm2      0.926
 ASSI {  763}   (( segid    A and resid 11   and name  HN  ))   (( segid    A and resid 9    and name  HB1 ))      5.390     3.670     1.078 peak   763 weight  1.00000E+00 volume  4.11272E+06 ppm1      6.994 ppm2      3.635
 ASSI {  764}   (( segid    A and resid 11   and name  HN  ))   (( segid    A and resid 8    and name  HD1 ))      5.574     3.854     1.115 peak   764 weight  1.00000E+00 volume  3.36337E+06 ppm1      6.992 ppm2      3.211
 ASSI {  765}   (( segid    A and resid 11   and name  HN  ))   (( segid    A and resid 12   and name  HB  ))      5.145     3.425     1.029 peak   765 weight  1.00000E+00 volume  5.44085E+06 ppm1      6.994 ppm2      2.316
 ASSI {  775}   (( segid    A and resid 19   and name  HN  ))   (( segid    A and resid 43   and name  HG2 ))      4.660     2.940     0.932 peak   775 weight  1.00000E+00 volume  9.85508E+06 ppm1      7.867 ppm2      0.878
 ASSI {  776}   (( segid    A and resid 19   and name  HN  ))   (  segid    A and resid 17   and name  HG2#)      5.795     4.075     1.159 peak   776 weight  1.00000E+00 volume  7.99286E+06 ppm1      7.866 ppm2      0.958
 ASSI {  780}   (( segid    A and resid 24   and name  HN  ))   (( segid    A and resid 28   and name  HD1 ))      5.547     3.827     1.109 peak   780 weight  1.00000E+00 volume  3.46326E+06 ppm1      8.757 ppm2      2.891
 ASSI {  781}   (( segid    A and resid 24   and name  HN  ))   (  segid    A and resid 40   and name  HE# )      6.459     4.739     0.541 peak   781 weight  1.00000E+00 volume  2.77755E+06 ppm1      8.756 ppm2      6.832
 ASSI {  784}   (( segid    A and resid 25   and name  HN  ))   (  segid    A and resid 29   and name  HB# )      6.831     5.111     0.169 peak   784 weight  1.00000E+00 volume  2.97844E+06 ppm1      8.704 ppm2      1.340
 ASSI {  786}   (( segid    A and resid 25   and name  HN  ))   (( segid    A and resid 28   and name  HA  ))      5.245     3.525     1.049 peak   786 weight  1.00000E+00 volume  4.84551E+06 ppm1      8.702 ppm2      3.744
 ASSI {  787}   (( segid    A and resid 26   and name  HN  ))   (( segid    A and resid 25   and name  HB2 ))      4.738     3.018     0.948 peak   787 weight  1.00000E+00 volume  8.91125E+06 ppm1      9.000 ppm2      4.087
 ASSI {  789}   (( segid    A and resid 28   and name  HN  ))   (( segid    A and resid 25   and name  HB2 ))      4.917     3.197     0.983 peak   789 weight  1.00000E+00 volume  7.13526E+06 ppm1      7.912 ppm2      4.091
 ASSI {  792}   (( segid    A and resid 29   and name  HN  ))   (( segid    A and resid 28   and name  HD1 ))      5.158     3.438     1.032 peak   792 weight  1.00000E+00 volume  5.35600E+06 ppm1      8.684 ppm2      2.878
 ASSI {  795}   (( segid    A and resid 30   and name  HN  ))   (( segid    A and resid 27   and name  HB2 ))      6.970     5.250     0.030 peak   795 weight  1.00000E+00 volume  8.79991E+05 ppm1      7.317 ppm2      2.901
 ASSI {  797}   (( segid    A and resid 31   and name  HN  ))   (( segid    A and resid 28   and name  HN  ))      4.613     2.893     0.923 peak   797 weight  1.00000E+00 volume  3.97488E+06 ppm1      7.166 ppm2      7.903
 ASSI {  799}   (( segid    A and resid 32   and name  HN  ))   (( segid    A and resid 35   and name  HB1 ))      5.789     4.069     1.158 peak   799 weight  1.00000E+00 volume  2.68068E+06 ppm1      7.547 ppm2      3.334
 ASSI {  802}   (( segid    A and resid 35   and name  HN  ))   (( segid    A and resid 34   and name  HG2 ))      5.264     3.544     1.053 peak   802 weight  1.00000E+00 volume  4.74238E+06 ppm1      7.892 ppm2      2.490
 ASSI {  803}   (( segid    A and resid 35   and name  HN  ))   (( segid    A and resid 34   and name  HG1 ))      5.283     3.563     1.057 peak   803 weight  1.00000E+00 volume  4.63835E+06 ppm1      7.892 ppm2      2.759
 ASSI {  805}   (( segid    A and resid 36   and name  HN  ))   (( segid    A and resid 33   and name  HB1 ))      5.345     3.625     1.069 peak   805 weight  1.00000E+00 volume  4.32356E+06 ppm1      8.204 ppm2      2.376
 ASSI {  806}   (( segid    A and resid 36   and name  HN  ))   (( segid    A and resid 34   and name  HB2 ))      6.181     4.461     0.819 peak   806 weight  1.00000E+00 volume  1.80956E+06 ppm1      8.209 ppm2      1.747
 ASSI {  811}   (( segid    A and resid 39   and name  HN  ))   (( segid    A and resid 37   and name  HA  ))      5.227     3.507     1.045 peak   811 weight  1.00000E+00 volume  4.94696E+06 ppm1      7.979 ppm2      4.227
 ASSI {  819}   (( segid    A and resid 41   and name  HN  ))   (  segid    A and resid 54   and name  HD# )      6.403     4.683     0.597 peak   819 weight  1.00000E+00 volume  2.92744E+06 ppm1      8.516 ppm2      7.163
 ASSI {  820}   (( segid    A and resid 41   and name  HN  ))   (( segid    A and resid 56   and name  HA  ))      5.476     3.756     1.095 peak   820 weight  1.00000E+00 volume  3.74134E+06 ppm1      8.517 ppm2      4.550
 ASSI {  821}   (( segid    A and resid 41   and name  HN  ))   (( segid    A and resid 42   and name  HA  ))      5.989     4.269     1.011 peak   821 weight  1.00000E+00 volume  2.18596E+06 ppm1      8.521 ppm2      4.776
 ASSI {  829}   (( segid    A and resid 43   and name  HN  ))   (( segid    A and resid 19   and name  HA  ))      3.859     2.139     0.772 peak   829 weight  1.00000E+00 volume  3.05512E+07 ppm1      8.537 ppm2      4.542
 ASSI {  830}   (( segid    A and resid 43   and name  HN  ))   (( segid    A and resid 17   and name  HA  ))      4.217     2.497     0.843 peak   830 weight  1.00000E+00 volume  1.79463E+07 ppm1      8.539 ppm2      4.089
 ASSI {  833}   (( segid    A and resid 44   and name  HN  ))   (( segid    A and resid 19   and name  HN  ))      5.385     3.665     1.077 peak   833 weight  1.00000E+00 volume  2.60731E+06 ppm1      9.280 ppm2      7.852
 ASSI {  837}   (( segid    A and resid 44   and name  HN  ))   (  segid    A and resid 53   and name  HG# )      5.748     4.028     1.150 peak   837 weight  1.00000E+00 volume  5.59657E+06 ppm1      9.284 ppm2      2.349
 ASSI {  838}   (( segid    A and resid 44   and name  HN  ))   (( segid    A and resid 42   and name  HG2 ))      4.934     3.214     0.987 peak   838 weight  1.00000E+00 volume  6.99240E+06 ppm1      9.279 ppm2      2.213
 ASSI {  839}   (( segid    A and resid 44   and name  HN  ))   (( segid    A and resid 19   and name  HG1 ))      5.119     3.399     1.024 peak   839 weight  1.00000E+00 volume  5.60390E+06 ppm1      9.283 ppm2      2.113
 ASSI {  848}   (( segid    A and resid 16   and name  HN  ))   (( segid    A and resid 46   and name  HN  ))      5.287     3.567     1.057 peak   848 weight  1.00000E+00 volume  4.61606E+06 ppm1      8.450 ppm2      9.238
 ASSI {  858}   (( segid    A and resid 47   and name  HN  ))   (( segid    A and resid 14   and name  HB1 ))      4.295     2.575     0.859 peak   858 weight  1.00000E+00 volume  1.60631E+07 ppm1      9.032 ppm2      1.910
 ASSI {  863}   (( segid    A and resid 47   and name  HN  ))   (  segid    A and resid 16   and name  HG2#)      5.602     3.882     1.120 peak   863 weight  1.00000E+00 volume  9.78647E+06 ppm1      9.032 ppm2      0.817
 ASSI {  867}   (( segid    A and resid 50   and name  HN  ))   (( segid    A and resid 47   and name  HN  ))      5.441     3.721     1.088 peak   867 weight  1.00000E+00 volume  3.88734E+06 ppm1      7.616 ppm2      9.027
 ASSI {  869}   (( segid    A and resid 50   and name  HN  ))   (( segid    A and resid 51   and name  HB1 ))      5.075     3.355     1.015 peak   869 weight  1.00000E+00 volume  5.90408E+06 ppm1      7.618 ppm2      1.792
 ASSI {  878}   (( segid    A and resid 52   and name  HN  ))   (( segid    A and resid 52   and name  HD21))      4.950     3.230     0.990 peak   878 weight  1.00000E+00 volume  6.86110E+06 ppm1      8.492 ppm2      6.761
 ASSI {  884}   (( segid    A and resid 38   and name  HN  ))   (( segid    A and resid 38   and name  HG1 ))      5.280     3.560     1.056 peak   884 weight  1.00000E+00 volume  4.65313E+06 ppm1      8.917 ppm2      5.780
 ASSI {  886}   (( segid    A and resid 39   and name  HN  ))   (( segid    A and resid 38   and name  HG1 ))      5.329     3.609     1.066 peak   886 weight  1.00000E+00 volume  4.40232E+06 ppm1      7.983 ppm2      5.776
 ASSI {  895}   (( segid    A and resid 27   and name  HN  ))   (( segid    A and resid 28   and name  HA  ))      5.970     4.250     1.030 peak   895 weight  1.00000E+00 volume  2.22752E+06 ppm1      8.159 ppm2      3.739
 ASSI {  899}   (( segid    A and resid 52   and name  HN  ))   (  segid    A and resid 45   and name  HG2#)      6.856     5.136     0.144 peak   899 weight  1.00000E+00 volume  2.91314E+06 ppm1      8.495 ppm2      0.964
 ASSI {  901}   (( segid    A and resid 53   and name  HN  ))   (  segid    A and resid 45   and name  HG2#)      5.923     4.203     1.077 peak   901 weight  1.00000E+00 volume  7.00880E+06 ppm1      8.674 ppm2      0.958
 ASSI {  903}   (( segid    A and resid 55   and name  HN  ))   (( segid    A and resid 42   and name  HB1 ))      5.099     3.379     1.020 peak   903 weight  1.00000E+00 volume  5.74073E+06 ppm1      8.807 ppm2      1.879
 ASSI {  904}   (( segid    A and resid 55   and name  HN  ))   (( segid    A and resid 55   and name  HD2 ))      4.963     3.243     0.993 peak   904 weight  1.00000E+00 volume  6.74704E+06 ppm1      8.805 ppm2      0.789
 ASSI {  908}   (( segid    A and resid 56   and name  HN  ))   (( segid    A and resid 10   and name  HH2 ))      5.725     4.005     1.145 peak   908 weight  1.00000E+00 volume  2.86362E+06 ppm1      9.240 ppm2      7.287
 ASSI {  909}   (( segid    A and resid 56   and name  HN  ))   (( segid    A and resid 55   and name  HD2 ))      5.481     3.761     1.096 peak   909 weight  1.00000E+00 volume  3.72045E+06 ppm1      9.235 ppm2      0.777
 ASSI {  912}   (( segid    A and resid 57   and name  HN  ))   (  segid    A and resid 40   and name  HD# )      6.144     4.424     0.856 peak   912 weight  1.00000E+00 volume  3.75100E+06 ppm1      7.723 ppm2      6.932
 ASSI {  914}   (( segid    A and resid 57   and name  HN  ))   (( segid    A and resid 38   and name  HG1 ))      3.914     2.194     0.783 peak   914 weight  1.00000E+00 volume  2.80698E+07 ppm1      7.721 ppm2      5.778
 ASSI {  919}   (( segid    A and resid 59   and name  HN  ))   (  segid    A and resid 58   and name  HD# )      5.929     4.209     1.071 peak   919 weight  1.00000E+00 volume  4.64301E+06 ppm1      7.750 ppm2      3.019
 ASSI {  920}   (( segid    A and resid 59   and name  HN  ))   (( segid    A and resid 40   and name  HB1 ))      5.184     3.464     1.037 peak   920 weight  1.00000E+00 volume  5.19536E+06 ppm1      7.752 ppm2      2.899
 ASSI {  921}   (( segid    A and resid 59   and name  HN  ))   (( segid    A and resid 62   and name  HG1 ))      5.418     3.698     1.084 peak   921 weight  1.00000E+00 volume  3.98822E+06 ppm1      7.748 ppm2      2.527
 ASSI {  923}   (( segid    A and resid 60   and name  HN  ))   (  segid    A and resid 40   and name  HE# )      5.674     3.954     1.135 peak   923 weight  1.00000E+00 volume  6.04791E+06 ppm1      8.022 ppm2      6.844
 ASSI {  926}   (( segid    A and resid 61   and name  HN  ))   (( segid    A and resid 62   and name  HA  ))      3.858     2.138     0.772 peak   926 weight  1.00000E+00 volume  3.05907E+07 ppm1      7.964 ppm2      4.398
 ASSI {  927}   (( segid    A and resid 61   and name  HN  ))   (( segid    A and resid 62   and name  HG2 ))      4.028     2.308     0.806 peak   927 weight  1.00000E+00 volume  2.36146E+07 ppm1      7.962 ppm2      2.492
 ASSI {  928}   (( segid    A and resid 61   and name  HN  ))   (( segid    A and resid 64   and name  HB2 ))      3.554     1.834     0.711 peak   928 weight  1.00000E+00 volume  5.00771E+07 ppm1      7.965 ppm2      1.961
 ASSI {  929}   (( segid    A and resid 62   and name  HN  ))   (  segid    A and resid 61   and name  HB# )      3.596     1.876     0.719 peak   929 weight  1.00000E+00 volume  9.32677E+07 ppm1      7.967 ppm2      1.559
 ASSI {  930}   (( segid    A and resid 62   and name  HN  ))   (  segid    A and resid 60   and name  HB# )      4.956     3.236     0.991 peak   930 weight  1.00000E+00 volume  2.04321E+07 ppm1      7.969 ppm2      1.340
 ASSI {  934}   (( segid    A and resid 63   and name  HN  ))   (( segid    A and resid 62   and name  HG2 ))      5.439     3.719     1.088 peak   934 weight  1.00000E+00 volume  3.89823E+06 ppm1      8.150 ppm2      2.506
 ASSI {  949}   (( segid    A and resid 11   and name  HN  ))   (( segid    A and resid 10   and name  HE3 ))      4.262     2.542     0.852 peak   949 weight  1.00000E+00 volume  1.68210E+07 ppm1      6.994 ppm2      7.212
 ASSI {  950}   (( segid    A and resid 11   and name  HN  ))   (( segid    A and resid 10   and name  HD1 ))      4.200     2.480     0.840 peak   950 weight  1.00000E+00 volume  1.83842E+07 ppm1      6.992 ppm2      6.813
 ASSI {  979}   (( segid    A and resid 10   and name  HE1 ))   (( segid    A and resid 10   and name  HN  ))      4.964     3.244     0.993 peak   979 weight  1.00000E+00 volume  6.73994E+06 ppm1     10.682 ppm2      6.677
 ASSI {  985}   (( segid    A and resid 51   and name  HN  ))   (( segid    A and resid 46   and name  HA  ))      5.385     3.665     1.077 peak   985 weight  1.00000E+00 volume  4.13535E+06 ppm1      7.284 ppm2      4.554
 ASSI { 1006}   (( segid    A and resid 20   and name  HN  ))   (( segid    A and resid 19   and name  HG2 ))      4.197     2.477     0.839 peak  1006 weight  1.00000E+00 volume  1.84635E+07 ppm1      8.568 ppm2      2.397
 ASSI { 1018}   (( segid    A and resid 52   and name  HD22))   (( segid    A and resid 52   and name  HD21))      2.468     0.748     0.494 peak  1018 weight  1.00000E+00 volume  4.46497E+08 ppm1      7.367 ppm2      6.761
 ASSI { 1028}   (( segid    A and resid 52   and name  HD22))   (( segid    A and resid 52   and name  HB1 ))      4.018     2.298     0.804 peak  1028 weight  1.00000E+00 volume  2.39762E+07 ppm1      7.367 ppm2      2.588
!
! Hbond Restraints  
!
assign (resid   16 and  name HN   and segid    A )(resid   45 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   16 and  name  N   and segid    A )(resid   45 and  name O   and segid    A ) 3.5 0.8 0.0
assign (resid   45 and  name HN   and segid    A )(resid   16 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   45 and  name  N   and segid    A )(resid   16 and  name O   and segid    A ) 3.5 0.8 0.0
assign (resid   18 and  name HN   and segid    A )(resid   43 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   18 and  name  N   and segid    A )(resid   43 and  name O   and segid    A ) 3.5 0.8 0.0
assign (resid   19 and  name HN   and segid    A )(resid   43 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   19 and  name  N   and segid    A )(resid   43 and  name O   and segid    A ) 3.5 0.8 0.0
assign (resid   43 and  name HN   and segid    A )(resid   19 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   43 and  name  N   and segid    A )(resid   19 and  name O   and segid    A ) 3.5 0.8 0.0
assign (resid   22 and  name HN   and segid    A )(resid   41 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   22 and  name  N   and segid    A )(resid   41 and  name O   and segid    A ) 3.5 0.8 0.0
assign (resid   41 and  name HN   and segid    A )(resid   22 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   41 and  name  N   and segid    A )(resid   22 and  name O   and segid    A ) 3.5 0.8 0.0
assign (resid   44 and  name HN   and segid    A )(resid   53 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   44 and  name  N   and segid    A )(resid   53 and  name O   and segid    A ) 3.5 0.8 0.0
assign (resid   53 and  name HN   and segid    A )(resid   44 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   53 and  name  N   and segid    A )(resid   44 and  name O   and segid    A ) 3.5 0.8 0.0
assign (resid   42 and  name HN   and segid    A )(resid   55 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   42 and  name  N   and segid    A )(resid   55 and  name O   and segid    A ) 3.5 0.8 0.0
assign (resid   55 and  name HN   and segid    A )(resid   42 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   55 and  name  N   and segid    A )(resid   42 and  name O   and segid    A ) 3.5 0.8 0.0
assign (resid   57 and  name HN   and segid    A )(resid   40 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   57 and  name  N   and segid    A )(resid   40 and  name O   and segid    A ) 3.5 0.8 0.0
assign (resid   32 and  name HN   and segid    A )(resid   28 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   32 and  name  N   and segid    A )(resid   28 and  name O   and segid    A ) 3.5 0.8 0.0
assign (resid   31 and  name HN   and segid    A )(resid   27 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   31 and  name  N   and segid    A )(resid   27 and  name O   and segid    A ) 3.5 0.8 0.0
assign (resid   29 and  name HN   and segid    A )(resid   25 and  name O   and segid    A ) 2.4 0.6 0.0
assign (resid   29 and  name  N   and segid    A )(resid   25 and  name O   and segid    A ) 3.5 0.8 0.0
 ASSIGN  (resid 4  and name N ) (resid 4  and name CA)
         (resid 4  and name C ) (resid 5  and name N )  1.00 141.00 30.00 2

 ASSIGN  (resid 3  and name C ) (resid 4  and name N )
         (resid 4  and name CA) (resid 4  and name C )  1.00 -108.00 60.00 2

 ASSIGN  (resid 5  and name N ) (resid 5  and name CA)
         (resid 5  and name C ) (resid 6  and name N )  1.00 122.00 22.00 2

 ASSIGN  (resid 4  and name C ) (resid 5  and name N )
         (resid 5  and name CA) (resid 5  and name C )  1.00 -99.00 34.00 2

 ASSIGN  (resid 6  and name N ) (resid 6  and name CA)
         (resid 6  and name C ) (resid 7  and name N )  1.00 136.00 50.00 2

 ASSIGN  (resid 5  and name C ) (resid 6  and name N )
         (resid 6  and name CA) (resid 6  and name C )  1.00 -138.00 60.00 2

 ASSIGN  (resid 7  and name N ) (resid 7  and name CA)
         (resid 7  and name C ) (resid 8  and name N )  1.00 134.00 42.00 2

 ASSIGN  (resid 6  and name C ) (resid 7  and name N )
         (resid 7  and name CA) (resid 7  and name C )  1.00 -87.00 48.00 2

 ASSIGN  (resid 9  and name N ) (resid 9  and name CA)
         (resid 9  and name C ) (resid 10 and name N )  1.00  -3.00 37.00 2

 ASSIGN  (resid 8  and name C ) (resid 9  and name N )
         (resid 9  and name CA) (resid 9  and name C )  1.00 -81.00 36.00 2

 ASSIGN  (resid 10 and name N ) (resid 10 and name CA)
         (resid 10 and name C ) (resid 11 and name N )  1.00  -3.50 41.50 2

 ASSIGN  (resid 9  and name C ) (resid 10 and name N )
         (resid 10 and name CA) (resid 10 and name C )  1.00 -81.00 39.00 2

 ASSIGN  (resid 11 and name N ) (resid 11 and name CA)
         (resid 11 and name C ) (resid 12 and name N )  1.00  -2.50 47.50 2

 ASSIGN  (resid 10 and name C ) (resid 11 and name N )
         (resid 11 and name CA) (resid 11 and name C )  1.00 -84.00 34.00 2

 ASSIGN  (resid 11 and name C ) (resid 12 and name N )
         (resid 12 and name CA) (resid 12 and name C )  1.00 -126.00 68.00 2

 ASSIGN  (resid 13 and name N ) (resid 13 and name CA)
         (resid 13 and name C ) (resid 14 and name N )  1.00 141.00 43.00 2

 ASSIGN  (resid 12 and name C ) (resid 13 and name N )
         (resid 13 and name CA) (resid 13 and name C )  1.00 -111.50 78.50 2

 ASSIGN  (resid 14 and name N ) (resid 14 and name CA)
         (resid 14 and name C ) (resid 15 and name N )  1.00 141.50 57.50 2

 ASSIGN  (resid 13 and name C ) (resid 14 and name N )
         (resid 14 and name CA) (resid 14 and name C )  1.00 -110.50 49.50 2

 ASSIGN  (resid 15 and name N ) (resid 15 and name CA)
         (resid 15 and name C ) (resid 16 and name N )  1.00 155.00 30.00 2

 ASSIGN  (resid 14 and name C ) (resid 15 and name N )
         (resid 15 and name CA) (resid 15 and name C )  1.00 -124.00 30.00 2

 ASSIGN  (resid 16 and name N ) (resid 16 and name CA)
         (resid 16 and name C ) (resid 17 and name N )  1.00 140.00 60.00 2

 ASSIGN  (resid 15 and name C ) (resid 16 and name N )
         (resid 16 and name CA) (resid 16 and name C )  1.00 -123.00 42.00 2

 ASSIGN  (resid 17 and name N ) (resid 17 and name CA)
         (resid 17 and name C ) (resid 18 and name N )  1.00 117.00 23.00 2

 ASSIGN  (resid 16 and name C ) (resid 17 and name N )
         (resid 17 and name CA) (resid 17 and name C )  1.00 -91.00 32.00 2

 ASSIGN  (resid 19 and name N ) (resid 19 and name CA)
         (resid 19 and name C ) (resid 20 and name N )  1.00 147.00 37.00 2

 ASSIGN  (resid 18 and name C ) (resid 19 and name N )
         (resid 19 and name CA) (resid 19 and name C )  1.00 -128.00 78.00 2

 ASSIGN  (resid 19 and name C ) (resid 20 and name N )
         (resid 20 and name CA) (resid 20 and name C )  1.00 -86.00 37.00 2

 ASSIGN  (resid 20 and name C ) (resid 21 and name N )
         (resid 21 and name CA) (resid 21 and name C )  1.00 -83.00 42.00 2

 ASSIGN  (resid 22 and name N ) (resid 22 and name CA)
         (resid 22 and name C ) (resid 23 and name N )  1.00 114.00 50.00 2

 ASSIGN  (resid 21 and name C ) (resid 22 and name N )
         (resid 22 and name CA) (resid 22 and name C )  1.00 -105.00 30.00 2

 ASSIGN  (resid 23 and name C ) (resid 24 and name N )
         (resid 24 and name CA) (resid 24 and name C )  1.00 -87.50 32.50 2

 ASSIGN  (resid 26 and name N ) (resid 26 and name CA)
         (resid 26 and name C ) (resid 27 and name N )  1.00 -26.00 30.00 2

 ASSIGN  (resid 25 and name C ) (resid 26 and name N )
         (resid 26 and name CA) (resid 26 and name C )  1.00 -61.00 20.00 2

 ASSIGN  (resid 27 and name N ) (resid 27 and name CA)
         (resid 27 and name C ) (resid 28 and name N )  1.00  -3.00 37.00 2

 ASSIGN  (resid 26 and name C ) (resid 27 and name N )
         (resid 27 and name CA) (resid 27 and name C )  1.00 -89.00 30.00 2

 ASSIGN  (resid 28 and name N ) (resid 28 and name CA)
         (resid 28 and name C ) (resid 29 and name N )  1.00 -11.00 56.00 2

 ASSIGN  (resid 27 and name C ) (resid 28 and name N )
         (resid 28 and name CA) (resid 28 and name C )  1.00 -81.00 36.00 2

 ASSIGN  (resid 29 and name N ) (resid 29 and name CA)
         (resid 29 and name C ) (resid 30 and name N )  1.00 -12.50 51.50 2

 ASSIGN  (resid 28 and name C ) (resid 29 and name N )
         (resid 29 and name CA) (resid 29 and name C )  1.00 -80.50 29.50 2

 ASSIGN  (resid 30 and name N ) (resid 30 and name CA)
         (resid 30 and name C ) (resid 31 and name N )  1.00 -19.00 44.00 2

 ASSIGN  (resid 29 and name C ) (resid 30 and name N )
         (resid 30 and name CA) (resid 30 and name C )  1.00 -77.50 22.50 2

 ASSIGN  (resid 30 and name C ) (resid 31 and name N )
         (resid 31 and name CA) (resid 31 and name C )  1.00 -110.00 70.00 2

 ASSIGN  (resid 32 and name N ) (resid 32 and name CA)
         (resid 32 and name C ) (resid 33 and name N )  1.00 131.00 62.00 2

 ASSIGN  (resid 31 and name C ) (resid 32 and name N )
         (resid 32 and name CA) (resid 32 and name C )  1.00 -113.50 62.50 2

 ASSIGN  (resid 34 and name N ) (resid 34 and name CA)
         (resid 34 and name C ) (resid 35 and name N )  1.00  -7.00 54.00 2

 ASSIGN  (resid 33 and name C ) (resid 34 and name N )
         (resid 34 and name CA) (resid 34 and name C )  1.00 -83.50 30.50 2

 ASSIGN  (resid 40 and name N ) (resid 40 and name CA)
         (resid 40 and name C ) (resid 41 and name N )  1.00 146.00 60.00 2

 ASSIGN  (resid 39 and name C ) (resid 40 and name N )
         (resid 40 and name CA) (resid 40 and name C )  1.00 -103.50 36.50 2

 ASSIGN  (resid 41 and name N ) (resid 41 and name CA)
         (resid 41 and name C ) (resid 42 and name N )  1.00 150.00 50.00 2

 ASSIGN  (resid 40 and name C ) (resid 41 and name N )
         (resid 41 and name CA) (resid 41 and name C )  1.00 -137.00 30.00 2

 ASSIGN  (resid 42 and name N ) (resid 42 and name CA)
         (resid 42 and name C ) (resid 43 and name N )  1.00 140.00 46.00 2

 ASSIGN  (resid 41 and name C ) (resid 42 and name N )
         (resid 42 and name CA) (resid 42 and name C )  1.00 -121.00 46.00 2

 ASSIGN  (resid 43 and name N ) (resid 43 and name CA)
         (resid 43 and name C ) (resid 44 and name N )  1.00 119.00 31.00 2

 ASSIGN  (resid 42 and name C ) (resid 43 and name N )
         (resid 43 and name CA) (resid 43 and name C )  1.00 -115.00 35.00 2

 ASSIGN  (resid 44 and name N ) (resid 44 and name CA)
         (resid 44 and name C ) (resid 45 and name N )  1.00 129.50 30.50 2

 ASSIGN  (resid 43 and name C ) (resid 44 and name N )
         (resid 44 and name CA) (resid 44 and name C )  1.00 -111.00 20.00 2

 ASSIGN  (resid 45 and name N ) (resid 45 and name CA)
         (resid 45 and name C ) (resid 46 and name N )  1.00 122.00 30.00 2

 ASSIGN  (resid 44 and name C ) (resid 45 and name N )
         (resid 45 and name CA) (resid 45 and name C )  1.00 -110.00 40.00 2

 ASSIGN  (resid 46 and name N ) (resid 46 and name CA)
         (resid 46 and name C ) (resid 47 and name N )  1.00 140.00 55.00 2

 ASSIGN  (resid 45 and name C ) (resid 46 and name N )
         (resid 46 and name CA) (resid 46 and name C )  1.00 -122.00 39.00 2

 ASSIGN  (resid 47 and name N ) (resid 47 and name CA)
         (resid 47 and name C ) (resid 48 and name N )  1.00 -26.00 40.00 2

 ASSIGN  (resid 46 and name C ) (resid 47 and name N )
         (resid 47 and name CA) (resid 47 and name C )  1.00 -70.00 22.00 2

 ASSIGN  (resid 48 and name N ) (resid 48 and name CA)
         (resid 48 and name C ) (resid 49 and name N )  1.00 142.00 40.00 2

 ASSIGN  (resid 47 and name C ) (resid 48 and name N )
         (resid 48 and name CA) (resid 48 and name C )  1.00 -111.00 60.00 2

 ASSIGN  (resid 50 and name N ) (resid 50 and name CA)
         (resid 50 and name C ) (resid 51 and name N )  1.00 135.00 60.00 2

 ASSIGN  (resid 51 and name N ) (resid 51 and name CA)
         (resid 51 and name C ) (resid 52 and name N )  1.00 141.00 49.00 2

 ASSIGN  (resid 50 and name C ) (resid 51 and name N )
         (resid 51 and name CA) (resid 51 and name C )  1.00 -134.00 44.00 2

 ASSIGN  (resid 52 and name N ) (resid 52 and name CA)
         (resid 52 and name C ) (resid 53 and name N )  1.00 128.00 50.00 2

 ASSIGN  (resid 51 and name C ) (resid 52 and name N )
         (resid 52 and name CA) (resid 52 and name C )  1.00 -103.50 56.50 2

 ASSIGN  (resid 53 and name N ) (resid 53 and name CA)
         (resid 53 and name C ) (resid 54 and name N )  1.00 155.00 35.00 2

 ASSIGN  (resid 52 and name C ) (resid 53 and name N )
         (resid 53 and name CA) (resid 53 and name C )  1.00 -130.50 30.50 2

 ASSIGN  (resid 54 and name N ) (resid 54 and name CA)
         (resid 54 and name C ) (resid 55 and name N )  1.00 148.50 51.50 2

 ASSIGN  (resid 53 and name C ) (resid 54 and name N )
         (resid 54 and name CA) (resid 54 and name C )  1.00 -137.00 50.00 2

 ASSIGN  (resid 55 and name N ) (resid 55 and name CA)
         (resid 55 and name C ) (resid 56 and name N )  1.00 127.00 50.00 2

 ASSIGN  (resid 54 and name C ) (resid 55 and name N )
         (resid 55 and name CA) (resid 55 and name C )  1.00 -113.00 30.00 2

 ASSIGN  (resid 55 and name C ) (resid 56 and name N )
         (resid 56 and name CA) (resid 56 and name C )  1.00 -87.50 32.50 2

 ASSIGN  (resid 57 and name N ) (resid 57 and name CA)
         (resid 57 and name C ) (resid 58 and name N )  1.00 135.00 55.00 2

 ASSIGN  (resid 56 and name C ) (resid 57 and name N )
         (resid 57 and name CA) (resid 57 and name C )  1.00 -109.50 60.50 2

 ASSIGN  (resid 58 and name N ) (resid 58 and name CA)
         (resid 58 and name C ) (resid 59 and name N )  1.00 143.00 20.00 2

 ASSIGN  (resid 57 and name C ) (resid 58 and name N )
         (resid 58 and name CA) (resid 58 and name C )  1.00 -105.00 50.00 2

 ASSIGN  (resid 59 and name N ) (resid 59 and name CA)
         (resid 59 and name C ) (resid 60 and name N )  1.00  -2.50 47.50 2

 ASSIGN  (resid 58 and name C ) (resid 59 and name N )
         (resid 59 and name CA) (resid 59 and name C )  1.00 -84.00 34.00 2

 ASSIGN  (resid 60 and name N ) (resid 60 and name CA)
         (resid 60 and name C ) (resid 61 and name N )  1.00  -3.50 58.50 2

 ASSIGN  (resid 59 and name C ) (resid 60 and name N )
         (resid 60 and name CA) (resid 60 and name C )  1.00 -82.00 29.00 2

 ASSIGN  (resid 61 and name N ) (resid 61 and name CA)
         (resid 61 and name C ) (resid 62 and name N )  1.00  -5.00 54.00 2

 ASSIGN  (resid 60 and name C ) (resid 61 and name N )
         (resid 61 and name CA) (resid 61 and name C )  1.00 -88.00 28.00 2

 ASSIGN  (resid 62 and name N ) (resid 62 and name CA)
         (resid 62 and name C ) (resid 63 and name N )  1.00  -0.50 59.50 2

 ASSIGN  (resid 61 and name C ) (resid 62 and name N )
         (resid 62 and name CA) (resid 62 and name C )  1.00 -85.00 35.00 2

 ASSIGN  (resid 63 and name N ) (resid 63 and name CA)
         (resid 63 and name C ) (resid 64 and name N )  1.00 140.00 50.00 2

 ASSIGN  (resid 62 and name C ) (resid 63 and name N )
         (resid 63 and name CA) (resid 63 and name C )  1.00 -115.00 40.00 2

 ASSIGN  (resid 64 and name N ) (resid 64 and name CA)
         (resid 64 and name C ) (resid 65 and name N )  1.00 108.00 34.00 2

 ASSIGN  (resid 63 and name C ) (resid 64 and name N )
         (resid 64 and name CA) (resid 64 and name C )  1.00 -99.50 50.50 2

 ASSIGN  (resid  9 and name N ) (resid  9 and name CA)
         (resid  9 and name CB) (resid  9 and name SG)  2.00  60.00 30.00 2

 ASSIGN  (resid 21 and name N ) (resid 21 and name CA)
         (resid 21 and name CB) (resid 21 and name SG)  4.00  60.00 10.00 2

 ASSIGN  (resid 24 and name N ) (resid 24 and name CA)
         (resid 24 and name CB) (resid 24 and name SG)  3.00 -60.00 10.00 2

 ASSIGN  (resid 35 and name N ) (resid 35 and name CA)
         (resid 35 and name CB) (resid 35 and name SG)  3.00 -60.00 20.00 2

 ASSIGN  (resid 46 and name N ) (resid 46 and name CA)
         (resid 46 and name CB) (resid 46 and name SG)  3.00 -60.00 10.00 2

 ASSIGN  (resid 57 and name N ) (resid 57 and name CA)
         (resid 57 and name CB) (resid 57 and name SG)  4.00  60.00 30.00 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  24.730  -6.561   1.935
    2    H2   GLY   1           H2       GLY   1  23.656  -7.867   1.954
    3    H3   GLY   1           H3       GLY   1  24.675  -7.630   0.625
    4    HA2  GLY   1           HA2      GLY   1  26.479  -8.505   1.630
    5    HA3  GLY   1           HA3      GLY   1  25.984  -7.910   3.207
    6    H    SER   2           H        SER   2  24.437  -9.105   4.417
    7    HA   SER   2           HA       SER   2  24.788 -11.893   4.294
    8    HB2  SER   2           HB2      SER   2  23.947 -10.205   6.221
    9    HB3  SER   2           HB3      SER   2  22.393 -10.864   5.709
   10    HG   SER   2           HG       SER   2  23.822 -11.986   7.411
   11    H    GLY   3           H        GLY   3  22.094  -9.815   3.299
   12    HA2  GLY   3           HA2      GLY   3  20.823 -10.356   1.328
   13    HA3  GLY   3           HA3      GLY   3  21.100 -12.057   1.667
   14    H    MET   4           H        MET   4  19.825  -9.314   3.558
   15    HA   MET   4           HA       MET   4  17.974 -10.843   5.001
   16    HB2  MET   4           HB2      MET   4  18.033  -7.895   4.353
   17    HB3  MET   4           HB3      MET   4  16.869  -8.618   5.455
   18    HG2  MET   4           HG2      MET   4  18.379  -8.868   7.105
   19    HG3  MET   4           HG3      MET   4  19.698  -9.231   5.992
   20    HE1  MET   4           HE1      MET   4  20.427  -5.666   4.564
   21    HE2  MET   4           HE2      MET   4  19.968  -7.298   4.078
   22    HE3  MET   4           HE3      MET   4  21.436  -7.039   5.021
   23    H    LYS   5           H        LYS   5  15.904 -11.449   4.652
   24    HA   LYS   5           HA       LYS   5  14.785 -10.852   1.998
   25    HB2  LYS   5           HB2      LYS   5  13.358 -12.900   2.461
   26    HB3  LYS   5           HB3      LYS   5  15.075 -13.190   2.215
   27    HG2  LYS   5           HG2      LYS   5  15.426 -13.810   4.378
   28    HG3  LYS   5           HG3      LYS   5  14.118 -12.800   4.997
   29    HD2  LYS   5           HD2      LYS   5  13.552 -15.159   5.202
   30    HD3  LYS   5           HD3      LYS   5  12.477 -14.359   4.055
   31    HE2  LYS   5           HE2      LYS   5  13.031 -16.350   2.983
   32    HE3  LYS   5           HE3      LYS   5  14.128 -15.173   2.260
   33    HZ1  LYS   5           HZ1      LYS   5  14.929 -17.505   3.232
   34    HZ2  LYS   5           HZ2      LYS   5  15.108 -16.555   4.621
   35    HZ3  LYS   5           HZ3      LYS   5  15.919 -16.134   3.199
   36    H    GLU   6           H        GLU   6  13.280  -9.326   2.017
   37    HA   GLU   6           HA       GLU   6  11.311  -9.326   4.203
   38    HB2  GLU   6           HB2      GLU   6  12.959  -7.073   3.156
   39    HB3  GLU   6           HB3      GLU   6  11.303  -6.728   3.637
   40    HG2  GLU   6           HG2      GLU   6  12.853  -6.289   5.449
   41    HG3  GLU   6           HG3      GLU   6  11.753  -7.605   5.862
   42    H    PHE   7           H        PHE   7   9.324  -9.618   3.464
   43    HA   PHE   7           HA       PHE   7   8.596  -8.501   0.849
   44    HB2  PHE   7           HB2      PHE   7   7.101 -10.748   0.816
   45    HB3  PHE   7           HB3      PHE   7   8.683 -10.629   0.057
   46    HD1  PHE   7           HD1      PHE   7  10.644 -11.640   1.112
   47    HD2  PHE   7           HD2      PHE   7   6.753 -12.068   2.780
   48    HE1  PHE   7           HE1      PHE   7  11.451 -13.500   2.507
   49    HE2  PHE   7           HE2      PHE   7   7.552 -13.928   4.178
   50    HZ   PHE   7           HZ       PHE   7   9.904 -14.646   4.043
   51    HA   PRO   8           HA       PRO   8   4.844  -7.362   2.900
   52    HB2  PRO   8           HB2      PRO   8   3.114  -7.155   0.897
   53    HB3  PRO   8           HB3      PRO   8   4.574  -6.157   0.918
   54    HG2  PRO   8           HG2      PRO   8   4.008  -8.653  -0.631
   55    HG3  PRO   8           HG3      PRO   8   4.824  -7.174  -1.158
   56    HD2  PRO   8           HD2      PRO   8   6.102  -9.491  -0.322
   57    HD3  PRO   8           HD3      PRO   8   6.840  -7.879  -0.365
   58    H    CYS   9           H        CYS   9   2.246  -7.913   2.502
   59    HA   CYS   9           HA       CYS   9   2.079 -10.791   3.065
   60    HB2  CYS   9           HB2      CYS   9   0.104 -10.346   4.353
   61    HB3  CYS   9           HB3      CYS   9   1.339  -9.203   4.858
   62    H    TRP  10           H        TRP  10   0.938  -8.259   0.978
   63    HA   TRP  10           HA       TRP  10  -1.273  -9.668  -0.117
   64    HB2  TRP  10           HB2      TRP  10  -1.053  -7.961  -1.980
   65    HB3  TRP  10           HB3      TRP  10  -1.287  -7.312  -0.363
   66    HD1  TRP  10           HD1      TRP  10   0.731  -5.947   0.723
   67    HE1  TRP  10           HE1      TRP  10   2.832  -4.870  -0.303
   68    HE3  TRP  10           HE3      TRP  10   0.706  -8.293  -3.810
   69    HZ2  TRP  10           HZ2      TRP  10   4.287  -5.000  -2.721
   70    HZ3  TRP  10           HZ3      TRP  10   2.485  -7.763  -5.427
   71    HH2  TRP  10           HH2      TRP  10   4.238  -6.149  -4.892
   72    H    LEU  11           H        LEU  11   2.113  -9.892  -0.576
   73    HA   LEU  11           HA       LEU  11   1.982 -10.977  -3.237
   74    HB2  LEU  11           HB2      LEU  11   4.139 -10.551  -1.215
   75    HB3  LEU  11           HB3      LEU  11   4.430 -11.632  -2.567
   76    HG   LEU  11           HG       LEU  11   3.626  -8.731  -2.811
   77   HD11  LEU  11          HD11      LEU  11   6.155  -9.902  -2.252
   78   HD12  LEU  11          HD12      LEU  11   5.769  -8.211  -2.568
   79   HD13  LEU  11          HD13      LEU  11   6.188  -9.283  -3.903
   80   HD21  LEU  11          HD21      LEU  11   4.233 -10.886  -4.811
   81   HD22  LEU  11          HD22      LEU  11   4.416  -9.176  -5.205
   82   HD23  LEU  11          HD23      LEU  11   2.839  -9.807  -4.732
   83    H    VAL  12           H        VAL  12   1.701 -12.196  -0.031
   84    HA   VAL  12           HA       VAL  12   1.758 -14.946  -1.090
   85    HB   VAL  12           HB       VAL  12   2.326 -15.617   1.310
   86   HG11  VAL  12          HG11      VAL  12   4.677 -15.452   0.908
   87   HG12  VAL  12          HG12      VAL  12   4.449 -14.078  -0.175
   88   HG13  VAL  12          HG13      VAL  12   3.876 -15.678  -0.647
   89   HG21  VAL  12          HG21      VAL  12   1.987 -12.933   1.804
   90   HG22  VAL  12          HG22      VAL  12   3.741 -13.110   1.765
   91   HG23  VAL  12          HG23      VAL  12   2.781 -14.086   2.876
   92    H    GLU  13           H        GLU  13  -0.218 -12.574   0.068
   93    HA   GLU  13           HA       GLU  13  -2.239 -14.535   0.882
   94    HB2  GLU  13           HB2      GLU  13  -1.715 -11.965   2.388
   95    HB3  GLU  13           HB3      GLU  13  -2.969 -13.141   2.744
   96    HG2  GLU  13           HG2      GLU  13  -1.595 -14.364   3.969
   97    HG3  GLU  13           HG3      GLU  13  -0.360 -14.371   2.715
   98    H    GLU  14           H        GLU  14  -4.448 -13.450   1.016
   99    HA   GLU  14           HA       GLU  14  -4.843 -11.938  -1.417
  100    HB2  GLU  14           HB2      GLU  14  -6.954 -12.668   0.604
  101    HB3  GLU  14           HB3      GLU  14  -7.169 -12.320  -1.104
  102    HG2  GLU  14           HG2      GLU  14  -5.900 -14.754   0.119
  103    HG3  GLU  14           HG3      GLU  14  -7.411 -14.663  -0.785
  104    H    PHE  15           H        PHE  15  -5.084  -9.794  -1.545
  105    HA   PHE  15           HA       PHE  15  -5.404  -8.310   0.976
  106    HB2  PHE  15           HB2      PHE  15  -4.024  -6.597   0.150
  107    HB3  PHE  15           HB3      PHE  15  -3.221  -8.083  -0.339
  108    HD1  PHE  15           HD1      PHE  15  -5.334  -5.300  -1.525
  109    HD2  PHE  15           HD2      PHE  15  -2.847  -8.576  -2.615
  110    HE1  PHE  15           HE1      PHE  15  -5.331  -4.516  -3.856
  111    HE2  PHE  15           HE2      PHE  15  -2.838  -7.797  -4.949
  112    HZ   PHE  15           HZ       PHE  15  -4.081  -5.765  -5.570
  113    H    VAL  16           H        VAL  16  -6.533  -6.291   0.904
  114    HA   VAL  16           HA       VAL  16  -8.413  -5.992  -1.319
  115    HB   VAL  16           HB       VAL  16 -10.213  -5.478   0.409
  116   HG11  VAL  16          HG11      VAL  16  -9.618  -8.343   0.719
  117   HG12  VAL  16          HG12      VAL  16  -9.622  -7.745  -0.940
  118   HG13  VAL  16          HG13      VAL  16 -11.051  -7.542   0.073
  119   HG21  VAL  16          HG21      VAL  16  -8.827  -5.289   2.373
  120   HG22  VAL  16          HG22      VAL  16  -8.261  -6.947   2.177
  121   HG23  VAL  16          HG23      VAL  16  -9.949  -6.632   2.584
  122    H    VAL  17           H        VAL  17  -8.206  -3.975  -2.052
  123    HA   VAL  17           HA       VAL  17  -6.839  -1.926  -0.732
  124    HB   VAL  17           HB       VAL  17  -8.938  -1.501  -2.858
  125   HG11  VAL  17          HG11      VAL  17  -7.154   0.309  -3.455
  126   HG12  VAL  17          HG12      VAL  17  -6.664   0.101  -1.774
  127   HG13  VAL  17          HG13      VAL  17  -8.310   0.604  -2.156
  128   HG21  VAL  17          HG21      VAL  17  -6.142  -2.553  -3.048
  129   HG22  VAL  17          HG22      VAL  17  -6.835  -1.616  -4.372
  130   HG23  VAL  17          HG23      VAL  17  -7.606  -3.116  -3.856
  131    H    ALA  18           H        ALA  18  -7.595  -1.551   1.329
  132    HA   ALA  18           HA       ALA  18 -10.389  -0.896   1.759
  133    HB1  ALA  18           HB1      ALA  18  -8.759  -2.180   3.355
  134    HB2  ALA  18           HB2      ALA  18  -9.975  -1.086   4.015
  135    HB3  ALA  18           HB3      ALA  18  -8.301  -0.554   3.862
  136    H    GLU  19           H        GLU  19  -7.348   0.710   1.323
  137    HA   GLU  19           HA       GLU  19  -8.718   3.300   1.506
  138    HB2  GLU  19           HB2      GLU  19  -5.908   2.840   2.509
  139    HB3  GLU  19           HB3      GLU  19  -6.870   4.302   2.663
  140    HG2  GLU  19           HG2      GLU  19  -8.376   2.269   3.861
  141    HG3  GLU  19           HG3      GLU  19  -6.715   2.028   4.399
  142    H    GLU  20           H        GLU  20  -8.696   4.051  -0.523
  143    HA   GLU  20           HA       GLU  20  -7.099   3.259  -2.615
  144    HB2  GLU  20           HB2      GLU  20  -8.332   5.974  -2.128
  145    HB3  GLU  20           HB3      GLU  20  -7.653   5.459  -3.665
  146    HG2  GLU  20           HG2      GLU  20  -9.749   4.849  -4.132
  147    HG3  GLU  20           HG3      GLU  20  -9.370   3.429  -3.158
  148    H    CYS  21           H        CYS  21  -5.306   4.296  -3.710
  149    HA   CYS  21           HA       CYS  21  -3.286   5.073  -1.832
  150    HB2  CYS  21           HB2      CYS  21  -1.737   4.955  -3.659
  151    HB3  CYS  21           HB3      CYS  21  -2.809   3.571  -3.745
  152    H    SER  22           H        SER  22  -2.230   6.988  -1.632
  153    HA   SER  22           HA       SER  22  -3.230   9.263  -3.194
  154    HB2  SER  22           HB2      SER  22  -3.381   8.872  -0.253
  155    HB3  SER  22           HB3      SER  22  -2.925  10.479  -0.817
  156    HG   SER  22           HG       SER  22  -4.944  10.786  -1.260
  157    HA   PRO  23           HA       PRO  23   0.790  10.921  -3.736
  158    HB2  PRO  23           HB2      PRO  23   0.019  13.177  -1.931
  159    HB3  PRO  23           HB3      PRO  23   0.779  13.224  -3.526
  160    HG2  PRO  23           HG2      PRO  23  -1.809  13.762  -3.257
  161    HG3  PRO  23           HG3      PRO  23  -1.219  12.818  -4.637
  162    HD2  PRO  23           HD2      PRO  23  -2.688  11.913  -2.212
  163    HD3  PRO  23           HD3      PRO  23  -2.735  11.273  -3.865
  164    H    CYS  24           H        CYS  24   2.810  11.253  -2.727
  165    HA   CYS  24           HA       CYS  24   2.901  10.396   0.091
  166    HB2  CYS  24           HB2      CYS  24   4.939   9.962  -2.102
  167    HB3  CYS  24           HB3      CYS  24   5.120   9.444  -0.432
  168    H    SER  25           H        SER  25   3.566  11.898   1.469
  169    HA   SER  25           HA       SER  25   4.404  14.451   0.799
  170    HB2  SER  25           HB2      SER  25   4.899  12.880   3.338
  171    HB3  SER  25           HB3      SER  25   5.187  14.612   3.173
  172    HG   SER  25           HG       SER  25   2.969  14.865   2.711
  173    H    ASN  26           H        ASN  26   6.620  15.271   1.932
  174    HA   ASN  26           HA       ASN  26   8.665  14.579   0.164
  175    HB2  ASN  26           HB2      ASN  26   8.525  16.126   2.713
  176    HB3  ASN  26           HB3      ASN  26  10.114  15.682   2.097
  177   HD21  ASN  26          HD21      ASN  26  10.113  16.008  -0.462
  178   HD22  ASN  26          HD22      ASN  26   9.642  17.600  -0.943
  179    H    PHE  27           H        PHE  27   7.878  13.350   3.357
  180    HA   PHE  27           HA       PHE  27  10.241  11.623   3.325
  181    HB2  PHE  27           HB2      PHE  27   8.349  12.560   5.429
  182    HB3  PHE  27           HB3      PHE  27   9.121  10.996   5.658
  183    HD1  PHE  27           HD1      PHE  27  11.639  10.880   5.634
  184    HD2  PHE  27           HD2      PHE  27   9.498  14.551   5.857
  185    HE1  PHE  27           HE1      PHE  27  13.657  12.000   6.488
  186    HE2  PHE  27           HE2      PHE  27  11.512  15.678   6.711
  187    HZ   PHE  27           HZ       PHE  27  13.594  14.402   7.028
  188    H    ARG  28           H        ARG  28   6.774  11.534   3.013
  189    HA   ARG  28           HA       ARG  28   6.295   8.823   3.479
  190    HB2  ARG  28           HB2      ARG  28   4.696  10.874   2.949
  191    HB3  ARG  28           HB3      ARG  28   4.787  10.217   1.321
  192    HG2  ARG  28           HG2      ARG  28   3.837   8.784   3.791
  193    HG3  ARG  28           HG3      ARG  28   2.850   9.339   2.437
  194    HD2  ARG  28           HD2      ARG  28   3.102   7.170   1.809
  195    HD3  ARG  28           HD3      ARG  28   4.565   7.831   1.078
  196    HE   ARG  28           HE       ARG  28   5.783   6.542   2.506
  197   HH11  ARG  28          HH11      ARG  28   2.593   6.949   3.860
  198   HH12  ARG  28          HH12      ARG  28   2.884   5.880   5.191
  199   HH21  ARG  28          HH21      ARG  28   6.169   5.136   4.254
  200   HH22  ARG  28          HH22      ARG  28   4.915   4.850   5.415
  201    H    ALA  29           H        ALA  29   7.245  10.505   0.510
  202    HA   ALA  29           HA       ALA  29   7.301   8.036  -1.001
  203    HB1  ALA  29           HB1      ALA  29   7.367  10.877  -1.601
  204    HB2  ALA  29           HB2      ALA  29   6.817   9.524  -2.589
  205    HB3  ALA  29           HB3      ALA  29   8.526   9.956  -2.558
  206    H    LYS  30           H        LYS  30   9.615  10.323   0.374
  207    HA   LYS  30           HA       LYS  30  11.955   9.278  -0.728
  208    HB2  LYS  30           HB2      LYS  30  11.727  11.428   0.551
  209    HB3  LYS  30           HB3      LYS  30  11.686  10.478   2.029
  210    HG2  LYS  30           HG2      LYS  30  13.905   9.879   1.868
  211    HG3  LYS  30           HG3      LYS  30  13.960  10.153   0.125
  212    HD2  LYS  30           HD2      LYS  30  13.362  12.642   1.022
  213    HD3  LYS  30           HD3      LYS  30  14.347  12.034   2.355
  214    HE2  LYS  30           HE2      LYS  30  16.123  11.455   0.770
  215    HE3  LYS  30           HE3      LYS  30  15.139  12.071  -0.556
  216    HZ1  LYS  30           HZ1      LYS  30  15.159  14.181   1.056
  217    HZ2  LYS  30           HZ2      LYS  30  16.314  13.931  -0.156
  218    HZ3  LYS  30           HZ3      LYS  30  16.665  13.518   1.446
  219    H    THR  31           H        THR  31   9.896   8.004   1.726
  220    HA   THR  31           HA       THR  31  11.958   6.096   2.572
  221    HB   THR  31           HB       THR  31  10.753   7.309   4.349
  222    HG1  THR  31           HG1      THR  31  10.609   5.566   5.580
  223   HG21  THR  31          HG21      THR  31   8.286   5.740   3.883
  224   HG22  THR  31          HG22      THR  31   8.527   7.208   2.936
  225   HG23  THR  31          HG23      THR  31   8.515   7.288   4.698
  226    H    THR  32           H        THR  32   8.716   6.274   1.181
  227    HA   THR  32           HA       THR  32   8.651   3.376   0.856
  228    HB   THR  32           HB       THR  32   6.575   5.471   0.188
  229    HG1  THR  32           HG1      THR  32   5.557   4.605   2.065
  230   HG21  THR  32          HG21      THR  32   5.991   3.657  -1.146
  231   HG22  THR  32          HG22      THR  32   5.036   3.443   0.322
  232   HG23  THR  32          HG23      THR  32   6.494   2.483   0.070
  233    HA   PRO  33           HA       PRO  33  10.095   3.827  -3.345
  234    HB2  PRO  33           HB2      PRO  33  10.029   1.243  -4.056
  235    HB3  PRO  33           HB3      PRO  33  11.220   1.854  -2.900
  236    HG2  PRO  33           HG2      PRO  33   8.666   0.380  -2.387
  237    HG3  PRO  33           HG3      PRO  33  10.253   0.169  -1.625
  238    HD2  PRO  33           HD2      PRO  33   8.187   1.589  -0.505
  239    HD3  PRO  33           HD3      PRO  33   9.900   1.880  -0.145
  240    H    GLU  34           H        GLU  34   7.036   2.477  -2.412
  241    HA   GLU  34           HA       GLU  34   5.959   1.930  -4.951
  242    HB2  GLU  34           HB2      GLU  34   4.847   2.413  -2.231
  243    HB3  GLU  34           HB3      GLU  34   3.742   2.497  -3.597
  244    HG2  GLU  34           HG2      GLU  34   3.524   0.301  -3.135
  245    HG3  GLU  34           HG3      GLU  34   4.931   0.195  -4.190
  246    H    CYS  35           H        CYS  35   6.724   4.900  -3.474
  247    HA   CYS  35           HA       CYS  35   4.770   6.419  -5.011
  248    HB2  CYS  35           HB2      CYS  35   6.948   7.566  -3.278
  249    HB3  CYS  35           HB3      CYS  35   5.418   8.303  -3.740
  250    H    GLY  36           H        GLY  36   7.025   4.892  -6.273
  251    HA2  GLY  36           HA2      GLY  36   8.676   7.038  -7.364
  252    HA3  GLY  36           HA3      GLY  36   8.922   5.317  -7.604
  253    HA   PRO  37           HA       PRO  37   6.600   5.550 -11.365
  254    HB2  PRO  37           HB2      PRO  37   4.722   3.638 -11.345
  255    HB3  PRO  37           HB3      PRO  37   6.444   3.251 -11.284
  256    HG2  PRO  37           HG2      PRO  37   4.420   3.242  -9.101
  257    HG3  PRO  37           HG3      PRO  37   5.801   2.163  -9.360
  258    HD2  PRO  37           HD2      PRO  37   5.724   4.330  -7.601
  259    HD3  PRO  37           HD3      PRO  37   7.188   3.505  -8.166
  260    H    THR  38           H        THR  38   4.066   5.175  -8.871
  261    HA   THR  38           HA       THR  38   2.357   6.994 -10.413
  262    HB   THR  38           HB       THR  38   1.123   5.069  -9.876
  263    HG1  THR  38           HG1      THR  38  -0.446   6.159  -9.063
  264   HG21  THR  38          HG21      THR  38   2.250   5.216  -7.095
  265   HG22  THR  38          HG22      THR  38   2.569   3.979  -8.309
  266   HG23  THR  38          HG23      THR  38   0.959   4.128  -7.604
  267    H    GLY  39           H        GLY  39   3.919   6.613  -7.288
  268    HA2  GLY  39           HA2      GLY  39   4.548   8.308  -5.814
  269    HA3  GLY  39           HA3      GLY  39   3.652   9.460  -6.798
  270    H    TYR  40           H        TYR  40   1.583   7.001  -6.421
  271    HA   TYR  40           HA       TYR  40   0.361   8.153  -4.007
  272    HB2  TYR  40           HB2      TYR  40  -0.862   6.916  -6.477
  273    HB3  TYR  40           HB3      TYR  40  -1.780   7.218  -5.011
  274    HD1  TYR  40           HD1      TYR  40   0.724   9.247  -6.918
  275    HD2  TYR  40           HD2      TYR  40  -3.213   8.993  -5.327
  276    HE1  TYR  40           HE1      TYR  40   0.276  11.539  -7.680
  277    HE2  TYR  40           HE2      TYR  40  -3.673  11.285  -6.090
  278    HH   TYR  40           HH       TYR  40  -2.197  12.822  -8.294
  279    H    VAL  41           H        VAL  41   0.145   6.804  -2.287
  280    HA   VAL  41           HA       VAL  41   0.433   3.916  -2.807
  281    HB   VAL  41           HB       VAL  41   1.390   3.689  -0.557
  282   HG11  VAL  41          HG11      VAL  41   2.794   5.605  -2.409
  283   HG12  VAL  41          HG12      VAL  41   2.904   3.845  -2.408
  284   HG13  VAL  41          HG13      VAL  41   3.572   4.771  -1.064
  285   HG21  VAL  41          HG21      VAL  41   0.502   5.514   0.643
  286   HG22  VAL  41          HG22      VAL  41   1.101   6.682  -0.535
  287   HG23  VAL  41          HG23      VAL  41   2.232   5.831   0.519
  288    H    GLU  42           H        GLU  42  -1.124   2.616  -2.190
  289    HA   GLU  42           HA       GLU  42  -3.371   3.683  -0.648
  290    HB2  GLU  42           HB2      GLU  42  -4.449   1.482  -1.422
  291    HB3  GLU  42           HB3      GLU  42  -4.139   2.704  -2.642
  292    HG2  GLU  42           HG2      GLU  42  -2.770   1.373  -3.769
  293    HG3  GLU  42           HG3      GLU  42  -1.906   0.899  -2.311
  294    H    LYS  43           H        LYS  43  -4.529   1.820   0.640
  295    HA   LYS  43           HA       LYS  43  -2.505   0.441   2.272
  296    HB2  LYS  43           HB2      LYS  43  -4.053   2.532   3.141
  297    HB3  LYS  43           HB3      LYS  43  -5.001   1.141   3.646
  298    HG2  LYS  43           HG2      LYS  43  -3.141   0.269   4.903
  299    HG3  LYS  43           HG3      LYS  43  -2.095   1.561   4.310
  300    HD2  LYS  43           HD2      LYS  43  -2.842   3.000   5.849
  301    HD3  LYS  43           HD3      LYS  43  -4.527   2.578   5.539
  302    HE2  LYS  43           HE2      LYS  43  -2.639   0.910   7.195
  303    HE3  LYS  43           HE3      LYS  43  -3.748   2.105   7.865
  304    HZ1  LYS  43           HZ1      LYS  43  -5.095   0.328   8.012
  305    HZ2  LYS  43           HZ2      LYS  43  -4.297  -0.537   6.795
  306    HZ3  LYS  43           HZ3      LYS  43  -5.418   0.661   6.385
  307    H    ILE  44           H        ILE  44  -2.741  -1.561   1.378
  308    HA   ILE  44           HA       ILE  44  -5.426  -2.728   1.234
  309    HB   ILE  44           HB       ILE  44  -4.185  -4.633   0.079
  310   HG12  ILE  44          HG12      ILE  44  -2.028  -2.800  -0.701
  311   HG13  ILE  44          HG13      ILE  44  -1.944  -3.321   0.978
  312   HG21  ILE  44          HG21      ILE  44  -5.483  -3.282  -1.296
  313   HG22  ILE  44          HG22      ILE  44  -3.886  -3.204  -2.040
  314   HG23  ILE  44          HG23      ILE  44  -4.458  -1.870  -1.039
  315   HD11  ILE  44          HD11      ILE  44  -2.487  -5.574  -0.684
  316   HD12  ILE  44          HD12      ILE  44  -1.102  -5.263   0.362
  317   HD13  ILE  44          HD13      ILE  44  -1.090  -4.698  -1.309
  318    H    THR  45           H        THR  45  -6.118  -4.213   2.634
  319    HA   THR  45           HA       THR  45  -4.240  -5.185   4.667
  320    HB   THR  45           HB       THR  45  -7.246  -5.421   4.734
  321    HG1  THR  45           HG1      THR  45  -5.681  -3.317   5.809
  322   HG21  THR  45          HG21      THR  45  -5.170  -5.391   6.912
  323   HG22  THR  45          HG22      THR  45  -6.142  -6.769   6.393
  324   HG23  THR  45          HG23      THR  45  -6.915  -5.387   7.168
  325    H    CYS  46           H        CYS  46  -3.973  -7.361   5.110
  326    HA   CYS  46           HA       CYS  46  -4.895  -9.158   2.991
  327    HB2  CYS  46           HB2      CYS  46  -2.652  -9.421   5.000
  328    HB3  CYS  46           HB3      CYS  46  -3.142 -10.713   3.918
  329    H    SER  47           H        SER  47  -6.541 -10.456   3.360
  330    HA   SER  47           HA       SER  47  -7.954 -10.699   5.714
  331    HB2  SER  47           HB2      SER  47  -8.959 -11.415   3.655
  332    HB3  SER  47           HB3      SER  47  -7.699 -12.620   3.392
  333    HG   SER  47           HG       SER  47  -9.951 -12.728   4.980
  334    H    SER  48           H        SER  48  -5.076 -12.342   4.686
  335    HA   SER  48           HA       SER  48  -5.216 -14.319   6.796
  336    HB2  SER  48           HB2      SER  48  -3.752 -14.007   4.336
  337    HB3  SER  48           HB3      SER  48  -2.627 -14.299   5.663
  338    HG   SER  48           HG       SER  48  -3.440 -16.251   5.949
  339    H    SER  49           H        SER  49  -4.997 -13.447   8.738
  340    HA   SER  49           HA       SER  49  -3.883 -12.713  10.592
  341    HB2  SER  49           HB2      SER  49  -1.714 -12.814   8.642
  342    HB3  SER  49           HB3      SER  49  -1.512 -11.497   9.793
  343    HG   SER  49           HG       SER  49  -0.605 -13.283  10.713
  344    H    LYS  50           H        LYS  50  -5.272 -11.005   8.312
  345    HA   LYS  50           HA       LYS  50  -5.757  -8.797   7.907
  346    HB2  LYS  50           HB2      LYS  50  -6.012  -9.353  10.780
  347    HB3  LYS  50           HB3      LYS  50  -5.879  -7.643  10.394
  348    HG2  LYS  50           HG2      LYS  50  -7.851  -9.467   9.050
  349    HG3  LYS  50           HG3      LYS  50  -8.212  -8.581  10.533
  350    HD2  LYS  50           HD2      LYS  50  -7.750  -6.472   9.394
  351    HD3  LYS  50           HD3      LYS  50  -7.355  -7.349   7.915
  352    HE2  LYS  50           HE2      LYS  50  -9.621  -8.181   7.762
  353    HE3  LYS  50           HE3      LYS  50 -10.031  -7.425   9.302
  354    HZ1  LYS  50           HZ1      LYS  50 -10.833  -5.994   7.644
  355    HZ2  LYS  50           HZ2      LYS  50  -9.413  -6.098   6.729
  356    HZ3  LYS  50           HZ3      LYS  50  -9.414  -5.260   8.198
  357    H    ARG  51           H        ARG  51  -3.574  -8.547   6.965
  358    HA   ARG  51           HA       ARG  51  -1.919  -6.729   8.580
  359    HB2  ARG  51           HB2      ARG  51  -1.226  -9.127   7.246
  360    HB3  ARG  51           HB3      ARG  51  -0.447  -7.816   6.384
  361    HG2  ARG  51           HG2      ARG  51   0.559  -7.042   8.479
  362    HG3  ARG  51           HG3      ARG  51  -0.212  -8.383   9.330
  363    HD2  ARG  51           HD2      ARG  51   1.635  -8.796   6.993
  364    HD3  ARG  51           HD3      ARG  51   2.219  -8.696   8.654
  365    HE   ARG  51           HE       ARG  51   0.239 -10.588   8.709
  366   HH11  ARG  51          HH11      ARG  51   3.223 -10.167   6.950
  367   HH12  ARG  51          HH12      ARG  51   3.514 -11.866   6.789
  368   HH21  ARG  51          HH21      ARG  51   0.620 -12.823   8.499
  369   HH22  ARG  51          HH22      ARG  51   2.036 -13.375   7.668
  370    H    ASN  52           H        ASN  52  -1.822  -4.718   7.911
  371    HA   ASN  52           HA       ASN  52  -2.777  -4.045   5.234
  372    HB2  ASN  52           HB2      ASN  52  -2.872  -1.734   6.068
  373    HB3  ASN  52           HB3      ASN  52  -3.760  -2.831   7.123
  374   HD21  ASN  52          HD21      ASN  52  -2.809  -3.439   9.120
  375   HD22  ASN  52          HD22      ASN  52  -1.635  -2.426   9.880
  376    H    GLU  53           H        GLU  53  -1.384  -3.751   3.645
  377    HA   GLU  53           HA       GLU  53   1.378  -2.985   4.308
  378    HB2  GLU  53           HB2      GLU  53   0.187  -4.798   2.306
  379    HB3  GLU  53           HB3      GLU  53   1.519  -3.812   1.724
  380    HG2  GLU  53           HG2      GLU  53   1.564  -5.726   4.044
  381    HG3  GLU  53           HG3      GLU  53   2.362  -5.922   2.485
  382    H    PHE  54           H        PHE  54   2.491  -1.611   2.715
  383    HA   PHE  54           HA       PHE  54   0.688   0.506   1.789
  384    HB2  PHE  54           HB2      PHE  54   3.604   0.422   2.511
  385    HB3  PHE  54           HB3      PHE  54   2.976   1.727   1.509
  386    HD1  PHE  54           HD1      PHE  54   1.216   3.231   2.417
  387    HD2  PHE  54           HD2      PHE  54   3.236   0.375   4.840
  388    HE1  PHE  54           HE1      PHE  54   0.484   4.432   4.437
  389    HE2  PHE  54           HE2      PHE  54   2.507   1.569   6.864
  390    HZ   PHE  54           HZ       PHE  54   1.129   3.600   6.664
  391    H    LYS  55           H        LYS  55  -0.021  -0.159  -0.184
  392    HA   LYS  55           HA       LYS  55   1.974  -0.943  -2.190
  393    HB2  LYS  55           HB2      LYS  55  -0.829  -1.615  -1.684
  394    HB3  LYS  55           HB3      LYS  55  -0.499  -1.248  -3.370
  395    HG2  LYS  55           HG2      LYS  55   1.537  -2.887  -2.944
  396    HG3  LYS  55           HG3      LYS  55   0.453  -3.497  -1.692
  397    HD2  LYS  55           HD2      LYS  55  -0.328  -4.775  -3.383
  398    HD3  LYS  55           HD3      LYS  55  -1.266  -3.326  -3.755
  399    HE2  LYS  55           HE2      LYS  55   1.467  -3.565  -4.897
  400    HE3  LYS  55           HE3      LYS  55   0.187  -4.559  -5.590
  401    HZ1  LYS  55           HZ1      LYS  55  -1.022  -2.194  -5.495
  402    HZ2  LYS  55           HZ2      LYS  55  -0.142  -2.734  -6.837
  403    HZ3  LYS  55           HZ3      LYS  55   0.576  -1.686  -5.720
  404    H    SER  56           H        SER  56   1.208  -0.228  -4.507
  405    HA   SER  56           HA       SER  56   0.574   2.649  -4.400
  406    HB2  SER  56           HB2      SER  56   1.986   2.349  -6.740
  407    HB3  SER  56           HB3      SER  56   2.669   2.919  -5.219
  408    HG   SER  56           HG       SER  56   3.944   1.257  -5.571
  409    H    CYS  57           H        CYS  57  -0.991   3.390  -5.778
  410    HA   CYS  57           HA       CYS  57  -1.949   1.534  -7.846
  411    HB2  CYS  57           HB2      CYS  57  -4.139   1.540  -7.156
  412    HB3  CYS  57           HB3      CYS  57  -3.334   1.640  -5.603
  413    H    ARG  58           H        ARG  58  -3.662   2.721  -9.254
  414    HA   ARG  58           HA       ARG  58  -2.358   5.173 -10.139
  415    HB2  ARG  58           HB2      ARG  58  -4.637   3.819 -11.554
  416    HB3  ARG  58           HB3      ARG  58  -3.370   4.832 -12.225
  417    HG2  ARG  58           HG2      ARG  58  -2.104   3.073 -12.663
  418    HG3  ARG  58           HG3      ARG  58  -2.213   2.514 -10.995
  419    HD2  ARG  58           HD2      ARG  58  -4.294   1.383 -11.469
  420    HD3  ARG  58           HD3      ARG  58  -4.308   2.031 -13.109
  421    HE   ARG  58           HE       ARG  58  -2.898   0.350 -13.727
  422   HH11  ARG  58          HH11      ARG  58  -2.724   0.709 -10.260
  423   HH12  ARG  58          HH12      ARG  58  -1.705  -0.675 -10.043
  424   HH21  ARG  58          HH21      ARG  58  -1.559  -1.470 -13.443
  425   HH22  ARG  58          HH22      ARG  58  -1.043  -1.912 -11.850
  426    H    SER  59           H        SER  59  -3.136   7.106  -9.656
  427    HA   SER  59           HA       SER  59  -5.719   7.346  -8.375
  428    HB2  SER  59           HB2      SER  59  -3.280   8.734  -8.218
  429    HB3  SER  59           HB3      SER  59  -4.436   9.883  -8.893
  430    HG   SER  59           HG       SER  59  -4.990   8.320  -6.600
  431    H    ALA  60           H        ALA  60  -4.263   8.061 -11.459
  432    HA   ALA  60           HA       ALA  60  -6.148   9.900 -12.440
  433    HB1  ALA  60           HB1      ALA  60  -4.847   7.961 -14.288
  434    HB2  ALA  60           HB2      ALA  60  -3.836   9.090 -13.385
  435    HB3  ALA  60           HB3      ALA  60  -5.092   9.699 -14.463
  436    H    LEU  61           H        LEU  61  -6.421   6.542 -11.831
  437    HA   LEU  61           HA       LEU  61  -8.832   6.386 -13.511
  438    HB2  LEU  61           HB2      LEU  61  -6.810   4.740 -13.750
  439    HB3  LEU  61           HB3      LEU  61  -7.500   3.983 -12.328
  440    HG   LEU  61           HG       LEU  61  -9.705   4.029 -13.797
  441   HD11  LEU  61          HD11      LEU  61  -7.465   4.328 -15.753
  442   HD12  LEU  61          HD12      LEU  61  -9.051   5.099 -15.739
  443   HD13  LEU  61          HD13      LEU  61  -8.902   3.398 -16.175
  444   HD21  LEU  61          HD21      LEU  61  -7.461   2.111 -13.603
  445   HD22  LEU  61          HD22      LEU  61  -8.687   1.789 -14.830
  446   HD23  LEU  61          HD23      LEU  61  -9.152   1.933 -13.135
  447    H    MET  62           H        MET  62  -7.529   5.981 -10.295
  448    HA   MET  62           HA       MET  62  -9.712   4.715  -9.081
  449    HB2  MET  62           HB2      MET  62  -7.443   6.391  -8.118
  450    HB3  MET  62           HB3      MET  62  -8.780   6.100  -7.014
  451    HG2  MET  62           HG2      MET  62  -7.131   3.985  -8.380
  452    HG3  MET  62           HG3      MET  62  -6.976   4.495  -6.700
  453    HE1  MET  62           HE1      MET  62  -7.988   1.537  -8.505
  454    HE2  MET  62           HE2      MET  62  -8.665   0.800  -7.052
  455    HE3  MET  62           HE3      MET  62  -7.108   1.625  -6.979
  456    H    GLU  63           H        GLU  63  -8.923   8.173  -9.324
  457    HA   GLU  63           HA       GLU  63 -11.752   8.819  -9.303
  458    HB2  GLU  63           HB2      GLU  63  -9.899   9.432  -7.061
  459    HB3  GLU  63           HB3      GLU  63 -11.027  10.694  -7.538
  460    HG2  GLU  63           HG2      GLU  63 -12.788   9.624  -6.671
  461    HG3  GLU  63           HG3      GLU  63 -12.236   8.047  -7.235
  462    H    GLN  64           H        GLN  64 -11.421   9.565 -11.403
  463    HA   GLN  64           HA       GLN  64 -10.181  12.203 -11.550
  464    HB2  GLN  64           HB2      GLN  64  -8.747  10.076 -12.428
  465    HB3  GLN  64           HB3      GLN  64  -9.638  10.481 -13.890
  466    HG2  GLN  64           HG2      GLN  64  -8.767  12.928 -13.105
  467    HG3  GLN  64           HG3      GLN  64  -7.448  11.895 -12.558
  468   HE21  GLN  64          HE21      GLN  64  -5.899  11.601 -13.978
  469   HE22  GLN  64          HE22      GLN  64  -6.060  11.661 -15.697
  470    H    ARG  65           H        ARG  65 -12.132  13.199 -11.835
  471    HA   ARG  65           HA       ARG  65 -14.233  12.293 -13.450
  472    HB2  ARG  65           HB2      ARG  65 -15.093  14.586 -13.318
  473    HB3  ARG  65           HB3      ARG  65 -14.534  14.021 -11.750
  474    HG2  ARG  65           HG2      ARG  65 -13.578  16.064 -11.713
  475    HG3  ARG  65           HG3      ARG  65 -12.297  15.212 -12.579
  476    HD2  ARG  65           HD2      ARG  65 -12.564  16.969 -13.997
  477    HD3  ARG  65           HD3      ARG  65 -13.790  15.894 -14.667
  478    HE   ARG  65           HE       ARG  65 -15.161  17.316 -12.821
  479   HH11  ARG  65          HH11      ARG  65 -13.078  18.228 -15.469
  480   HH12  ARG  65          HH12      ARG  65 -13.897  19.726 -15.762
  481   HH21  ARG  65          HH21      ARG  65 -16.239  19.285 -13.205
  482   HH22  ARG  65          HH22      ARG  65 -15.691  20.326 -14.476
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  18.957 -20.421  -3.383
    2    H2   GLY   1           H2       GLY   1  17.935 -21.537  -2.627
    3    H3   GLY   1           H3       GLY   1  19.376 -22.059  -3.342
    4    HA2  GLY   1           HA2      GLY   1  19.174 -21.674  -0.756
    5    HA3  GLY   1           HA3      GLY   1  20.670 -21.393  -1.635
    6    H    SER   2           H        SER   2  18.039 -19.953   0.082
    7    HA   SER   2           HA       SER   2  19.539 -17.466   0.265
    8    HB2  SER   2           HB2      SER   2  17.870 -17.310  -1.672
    9    HB3  SER   2           HB3      SER   2  16.608 -17.356  -0.441
   10    HG   SER   2           HG       SER   2  17.825 -15.529   0.525
   11    H    GLY   3           H        GLY   3  19.329 -16.472   2.212
   12    HA2  GLY   3           HA2      GLY   3  17.562 -17.810   4.153
   13    HA3  GLY   3           HA3      GLY   3  19.036 -16.943   4.556
   14    H    MET   4           H        MET   4  18.861 -14.541   3.553
   15    HA   MET   4           HA       MET   4  17.010 -13.198   5.170
   16    HB2  MET   4           HB2      MET   4  18.509 -12.193   2.743
   17    HB3  MET   4           HB3      MET   4  17.674 -11.173   3.906
   18    HG2  MET   4           HG2      MET   4  19.302 -11.358   5.445
   19    HG3  MET   4           HG3      MET   4  19.646 -13.038   5.038
   20    HE1  MET   4           HE1      MET   4  21.223 -13.676   2.726
   21    HE2  MET   4           HE2      MET   4  21.769 -13.640   4.403
   22    HE3  MET   4           HE3      MET   4  22.763 -12.920   3.136
   23    H    LYS   5           H        LYS   5  14.949 -12.623   4.899
   24    HA   LYS   5           HA       LYS   5  13.805 -12.689   2.193
   25    HB2  LYS   5           HB2      LYS   5  12.575 -13.906   4.672
   26    HB3  LYS   5           HB3      LYS   5  11.756 -13.736   3.125
   27    HG2  LYS   5           HG2      LYS   5  13.044 -15.363   2.112
   28    HG3  LYS   5           HG3      LYS   5  14.349 -15.208   3.291
   29    HD2  LYS   5           HD2      LYS   5  13.458 -17.091   4.151
   30    HD3  LYS   5           HD3      LYS   5  12.312 -15.977   4.896
   31    HE2  LYS   5           HE2      LYS   5  11.151 -16.344   2.484
   32    HE3  LYS   5           HE3      LYS   5  11.933 -17.909   2.704
   33    HZ1  LYS   5           HZ1      LYS   5   9.657 -17.844   3.581
   34    HZ2  LYS   5           HZ2      LYS   5  10.114 -16.640   4.679
   35    HZ3  LYS   5           HZ3      LYS   5  10.794 -18.186   4.786
   36    H    GLU   6           H        GLU   6  12.613 -10.958   1.702
   37    HA   GLU   6           HA       GLU   6  11.344  -9.409   3.823
   38    HB2  GLU   6           HB2      GLU   6  12.257  -7.285   2.790
   39    HB3  GLU   6           HB3      GLU   6  13.412  -8.256   3.692
   40    HG2  GLU   6           HG2      GLU   6  13.710  -9.249   1.177
   41    HG3  GLU   6           HG3      GLU   6  13.348  -7.553   0.855
   42    H    PHE   7           H        PHE   7   9.363 -10.058   2.972
   43    HA   PHE   7           HA       PHE   7   8.631  -8.713   0.468
   44    HB2  PHE   7           HB2      PHE   7   7.010 -10.869   0.324
   45    HB3  PHE   7           HB3      PHE   7   8.572 -10.777  -0.478
   46    HD1  PHE   7           HD1      PHE   7   7.168 -11.715   2.851
   47    HD2  PHE   7           HD2      PHE   7   9.986 -12.562  -0.223
   48    HE1  PHE   7           HE1      PHE   7   7.907 -13.712   4.085
   49    HE2  PHE   7           HE2      PHE   7  10.730 -14.560   1.004
   50    HZ   PHE   7           HZ       PHE   7   9.690 -15.137   3.161
   51    HA   PRO   8           HA       PRO   8   5.012  -7.490   2.696
   52    HB2  PRO   8           HB2      PRO   8   3.203  -7.137   0.776
   53    HB3  PRO   8           HB3      PRO   8   4.695  -6.187   0.788
   54    HG2  PRO   8           HG2      PRO   8   4.003  -8.602  -0.841
   55    HG3  PRO   8           HG3      PRO   8   4.817  -7.113  -1.347
   56    HD2  PRO   8           HD2      PRO   8   6.111  -9.463  -0.697
   57    HD3  PRO   8           HD3      PRO   8   6.857  -7.854  -0.636
   58    H    CYS   9           H        CYS   9   2.375  -7.922   2.389
   59    HA   CYS   9           HA       CYS   9   2.124 -10.801   2.889
   60    HB2  CYS   9           HB2      CYS   9   0.199 -10.321   4.225
   61    HB3  CYS   9           HB3      CYS   9   1.455  -9.187   4.700
   62    H    TRP  10           H        TRP  10   0.995  -8.204   0.865
   63    HA   TRP  10           HA       TRP  10  -1.252  -9.554  -0.224
   64    HB2  TRP  10           HB2      TRP  10  -1.044  -7.816  -2.047
   65    HB3  TRP  10           HB3      TRP  10  -1.211  -7.188  -0.414
   66    HD1  TRP  10           HD1      TRP  10   0.875  -5.888   0.626
   67    HE1  TRP  10           HE1      TRP  10   2.968  -4.849  -0.455
   68    HE3  TRP  10           HE3      TRP  10   0.647  -8.171  -3.931
   69    HZ2  TRP  10           HZ2      TRP  10   4.342  -4.983  -2.919
   70    HZ3  TRP  10           HZ3      TRP  10   2.385  -7.664  -5.600
   71    HH2  TRP  10           HH2      TRP  10   4.195  -6.102  -5.101
   72    H    LEU  11           H        LEU  11   2.113  -9.868  -0.714
   73    HA   LEU  11           HA       LEU  11   1.910 -10.904  -3.398
   74    HB2  LEU  11           HB2      LEU  11   4.123 -10.489  -1.436
   75    HB3  LEU  11           HB3      LEU  11   4.375 -11.580  -2.787
   76    HG   LEU  11           HG       LEU  11   3.594  -8.672  -3.020
   77   HD11  LEU  11          HD11      LEU  11   5.754  -8.218  -2.783
   78   HD12  LEU  11          HD12      LEU  11   6.085  -9.185  -4.219
   79   HD13  LEU  11          HD13      LEU  11   6.140  -9.931  -2.622
   80   HD21  LEU  11          HD21      LEU  11   2.718  -9.721  -4.910
   81   HD22  LEU  11          HD22      LEU  11   4.073 -10.845  -5.032
   82   HD23  LEU  11          HD23      LEU  11   4.298  -9.145  -5.442
   83    H    VAL  12           H        VAL  12   1.573 -12.142  -0.232
   84    HA   VAL  12           HA       VAL  12   1.611 -14.880  -1.312
   85    HB   VAL  12           HB       VAL  12   2.407 -15.700   0.880
   86   HG11  VAL  12          HG11      VAL  12   4.281 -13.688  -0.360
   87   HG12  VAL  12          HG12      VAL  12   3.954 -15.294  -1.010
   88   HG13  VAL  12          HG13      VAL  12   4.726 -15.122   0.566
   89   HG21  VAL  12          HG21      VAL  12   2.063 -14.257   2.574
   90   HG22  VAL  12          HG22      VAL  12   2.188 -12.840   1.532
   91   HG23  VAL  12          HG23      VAL  12   3.649 -13.636   2.115
   92    H    GLU  13           H        GLU  13  -0.331 -12.538  -0.144
   93    HA   GLU  13           HA       GLU  13  -2.277 -14.493   0.834
   94    HB2  GLU  13           HB2      GLU  13  -1.661 -11.894   2.254
   95    HB3  GLU  13           HB3      GLU  13  -2.952 -13.008   2.672
   96    HG2  GLU  13           HG2      GLU  13  -1.594 -14.294   3.858
   97    HG3  GLU  13           HG3      GLU  13  -0.371 -14.318   2.593
   98    H    GLU  14           H        GLU  14  -4.455 -13.205   1.231
   99    HA   GLU  14           HA       GLU  14  -4.993 -11.816  -1.281
  100    HB2  GLU  14           HB2      GLU  14  -7.136 -12.416   0.706
  101    HB3  GLU  14           HB3      GLU  14  -7.207 -12.428  -1.049
  102    HG2  GLU  14           HG2      GLU  14  -5.705 -14.489  -0.918
  103    HG3  GLU  14           HG3      GLU  14  -6.127 -14.529   0.793
  104    H    PHE  15           H        PHE  15  -4.951  -9.676  -1.329
  105    HA   PHE  15           HA       PHE  15  -5.374  -8.199   1.172
  106    HB2  PHE  15           HB2      PHE  15  -4.054  -6.449   0.290
  107    HB3  PHE  15           HB3      PHE  15  -3.215  -7.933  -0.146
  108    HD1  PHE  15           HD1      PHE  15  -5.333  -5.203  -1.420
  109    HD2  PHE  15           HD2      PHE  15  -2.885  -8.538  -2.415
  110    HE1  PHE  15           HE1      PHE  15  -5.346  -4.503  -3.778
  111    HE2  PHE  15           HE2      PHE  15  -2.892  -7.843  -4.776
  112    HZ   PHE  15           HZ       PHE  15  -4.124  -5.823  -5.459
  113    H    VAL  16           H        VAL  16  -6.564  -6.226   1.144
  114    HA   VAL  16           HA       VAL  16  -8.488  -5.969  -1.054
  115    HB   VAL  16           HB       VAL  16 -10.228  -5.402   0.730
  116   HG11  VAL  16          HG11      VAL  16  -9.633  -8.269   1.040
  117   HG12  VAL  16          HG12      VAL  16  -9.714  -7.680  -0.620
  118   HG13  VAL  16          HG13      VAL  16 -11.092  -7.466   0.460
  119   HG21  VAL  16          HG21      VAL  16  -8.207  -5.543   2.479
  120   HG22  VAL  16          HG22      VAL  16  -8.794  -7.203   2.588
  121   HG23  VAL  16          HG23      VAL  16  -9.884  -5.858   2.924
  122    H    VAL  17           H        VAL  17  -8.400  -3.965  -1.836
  123    HA   VAL  17           HA       VAL  17  -6.953  -1.875  -0.679
  124    HB   VAL  17           HB       VAL  17  -9.215  -1.526  -2.646
  125   HG11  VAL  17          HG11      VAL  17  -7.505   0.291  -3.419
  126   HG12  VAL  17          HG12      VAL  17  -6.893   0.135  -1.773
  127   HG13  VAL  17          HG13      VAL  17  -8.571   0.605  -2.050
  128   HG21  VAL  17          HG21      VAL  17  -7.960  -3.121  -3.739
  129   HG22  VAL  17          HG22      VAL  17  -6.447  -2.588  -3.004
  130   HG23  VAL  17          HG23      VAL  17  -7.187  -1.635  -4.291
  131    H    ALA  18           H        ALA  18  -7.542  -1.449   1.424
  132    HA   ALA  18           HA       ALA  18 -10.301  -0.784   2.051
  133    HB1  ALA  18           HB1      ALA  18  -7.816  -0.855   3.759
  134    HB2  ALA  18           HB2      ALA  18  -9.096  -2.067   3.691
  135    HB3  ALA  18           HB3      ALA  18  -9.430  -0.467   4.356
  136    H    GLU  19           H        GLU  19  -7.286   0.795   1.378
  137    HA   GLU  19           HA       GLU  19  -8.636   3.392   1.544
  138    HB2  GLU  19           HB2      GLU  19  -5.812   2.941   2.515
  139    HB3  GLU  19           HB3      GLU  19  -6.746   4.425   2.618
  140    HG2  GLU  19           HG2      GLU  19  -8.289   2.517   3.929
  141    HG3  GLU  19           HG3      GLU  19  -6.631   2.189   4.430
  142    H    GLU  20           H        GLU  20  -8.642   4.116  -0.491
  143    HA   GLU  20           HA       GLU  20  -7.116   3.250  -2.607
  144    HB2  GLU  20           HB2      GLU  20  -8.274   6.003  -2.148
  145    HB3  GLU  20           HB3      GLU  20  -7.656   5.434  -3.692
  146    HG2  GLU  20           HG2      GLU  20  -9.859   4.028  -2.216
  147    HG3  GLU  20           HG3      GLU  20 -10.158   5.338  -3.357
  148    H    CYS  21           H        CYS  21  -5.355   4.292  -3.791
  149    HA   CYS  21           HA       CYS  21  -3.267   5.040  -1.967
  150    HB2  CYS  21           HB2      CYS  21  -1.768   4.888  -3.844
  151    HB3  CYS  21           HB3      CYS  21  -2.838   3.501  -3.848
  152    H    SER  22           H        SER  22  -2.204   6.944  -1.796
  153    HA   SER  22           HA       SER  22  -3.179   9.211  -3.384
  154    HB2  SER  22           HB2      SER  22  -3.273   8.881  -0.425
  155    HB3  SER  22           HB3      SER  22  -2.870  10.477  -1.056
  156    HG   SER  22           HG       SER  22  -5.243   9.567  -0.752
  157    HA   PRO  23           HA       PRO  23   0.887  10.757  -3.940
  158    HB2  PRO  23           HB2      PRO  23   0.161  13.120  -2.264
  159    HB3  PRO  23           HB3      PRO  23   0.903  13.064  -3.867
  160    HG2  PRO  23           HG2      PRO  23  -1.668  13.676  -3.597
  161    HG3  PRO  23           HG3      PRO  23  -1.119  12.645  -4.931
  162    HD2  PRO  23           HD2      PRO  23  -2.552  11.901  -2.425
  163    HD3  PRO  23           HD3      PRO  23  -2.677  11.196  -4.049
  164    H    CYS  24           H        CYS  24   2.900  11.165  -2.898
  165    HA   CYS  24           HA       CYS  24   2.923  10.394  -0.053
  166    HB2  CYS  24           HB2      CYS  24   5.014   9.903  -2.184
  167    HB3  CYS  24           HB3      CYS  24   5.168   9.453  -0.491
  168    H    SER  25           H        SER  25   3.515  11.958   1.287
  169    HA   SER  25           HA       SER  25   4.424  14.476   0.514
  170    HB2  SER  25           HB2      SER  25   4.915  13.212   3.217
  171    HB3  SER  25           HB3      SER  25   4.758  14.929   2.847
  172    HG   SER  25           HG       SER  25   2.639  14.730   2.734
  173    H    ASN  26           H        ASN  26   6.567  15.193   2.036
  174    HA   ASN  26           HA       ASN  26   8.749  14.529   0.422
  175    HB2  ASN  26           HB2      ASN  26   8.648  15.710   3.202
  176    HB3  ASN  26           HB3      ASN  26  10.123  15.589   2.248
  177   HD21  ASN  26          HD21      ASN  26   9.468  16.315  -0.198
  178   HD22  ASN  26          HD22      ASN  26   8.827  17.919  -0.242
  179    H    PHE  27           H        PHE  27   8.107  13.524   3.785
  180    HA   PHE  27           HA       PHE  27  10.214  11.567   3.714
  181    HB2  PHE  27           HB2      PHE  27   8.221  12.497   5.729
  182    HB3  PHE  27           HB3      PHE  27   8.950  10.911   5.958
  183    HD1  PHE  27           HD1      PHE  27  11.632  10.996   5.478
  184    HD2  PHE  27           HD2      PHE  27   9.210  14.201   6.881
  185    HE1  PHE  27           HE1      PHE  27  13.616  12.052   6.479
  186    HE2  PHE  27           HE2      PHE  27  11.190  15.263   7.884
  187    HZ   PHE  27           HZ       PHE  27  13.397  14.188   7.685
  188    H    ARG  28           H        ARG  28   6.785  11.619   3.155
  189    HA   ARG  28           HA       ARG  28   6.155   8.927   3.529
  190    HB2  ARG  28           HB2      ARG  28   4.750  11.119   2.806
  191    HB3  ARG  28           HB3      ARG  28   4.851  10.297   1.256
  192    HG2  ARG  28           HG2      ARG  28   3.723   9.172   3.810
  193    HG3  ARG  28           HG3      ARG  28   2.813   9.687   2.388
  194    HD2  ARG  28           HD2      ARG  28   3.698   7.918   1.076
  195    HD3  ARG  28           HD3      ARG  28   4.901   7.522   2.302
  196    HE   ARG  28           HE       ARG  28   2.218   6.591   2.186
  197   HH11  ARG  28          HH11      ARG  28   4.743   7.508   4.413
  198   HH12  ARG  28          HH12      ARG  28   4.149   6.505   5.694
  199   HH21  ARG  28          HH21      ARG  28   1.436   5.272   3.869
  200   HH22  ARG  28          HH22      ARG  28   2.272   5.235   5.385
  201    H    ALA  29           H        ALA  29   7.135  10.595   0.535
  202    HA   ALA  29           HA       ALA  29   7.341   8.110  -0.910
  203    HB1  ALA  29           HB1      ALA  29   8.563  10.549  -2.037
  204    HB2  ALA  29           HB2      ALA  29   6.831  10.617  -1.713
  205    HB3  ALA  29           HB3      ALA  29   7.481   9.372  -2.781
  206    H    LYS  30           H        LYS  30   9.537  10.368   0.649
  207    HA   LYS  30           HA       LYS  30  11.956   9.451  -0.398
  208    HB2  LYS  30           HB2      LYS  30  11.161  10.847   2.121
  209    HB3  LYS  30           HB3      LYS  30  12.799  10.223   1.982
  210    HG2  LYS  30           HG2      LYS  30  11.548  12.068  -0.035
  211    HG3  LYS  30           HG3      LYS  30  12.513  12.619   1.336
  212    HD2  LYS  30           HD2      LYS  30  14.457  11.960   0.396
  213    HD3  LYS  30           HD3      LYS  30  13.742  10.507  -0.305
  214    HE2  LYS  30           HE2      LYS  30  14.161  11.695  -2.210
  215    HE3  LYS  30           HE3      LYS  30  12.531  12.264  -1.851
  216    HZ1  LYS  30           HZ1      LYS  30  14.990  13.679  -0.983
  217    HZ2  LYS  30           HZ2      LYS  30  13.398  14.249  -0.911
  218    HZ3  LYS  30           HZ3      LYS  30  14.156  14.043  -2.408
  219    H    THR  31           H        THR  31   9.873   8.090   2.036
  220    HA   THR  31           HA       THR  31  11.895   6.057   2.673
  221    HB   THR  31           HB       THR  31  10.477   5.500   4.602
  222    HG1  THR  31           HG1      THR  31   8.853   7.670   3.773
  223   HG21  THR  31          HG21      THR  31  11.703   8.091   4.231
  224   HG22  THR  31          HG22      THR  31  11.725   7.014   5.627
  225   HG23  THR  31          HG23      THR  31  10.385   8.136   5.401
  226    H    THR  32           H        THR  32   8.486   6.407   1.746
  227    HA   THR  32           HA       THR  32   8.096   3.600   1.373
  228    HB   THR  32           HB       THR  32   6.417   5.873   0.307
  229    HG1  THR  32           HG1      THR  32   6.649   6.060   2.547
  230   HG21  THR  32          HG21      THR  32   5.999   2.956   0.544
  231   HG22  THR  32          HG22      THR  32   5.408   4.097  -0.663
  232   HG23  THR  32          HG23      THR  32   4.638   4.014   0.921
  233    HA   PRO  33           HA       PRO  33  10.016   3.663  -2.697
  234    HB2  PRO  33           HB2      PRO  33  10.037   1.005  -3.097
  235    HB3  PRO  33           HB3      PRO  33  11.160   1.792  -1.982
  236    HG2  PRO  33           HG2      PRO  33   8.620   0.324  -1.388
  237    HG3  PRO  33           HG3      PRO  33  10.178   0.248  -0.547
  238    HD2  PRO  33           HD2      PRO  33   8.059   1.728   0.335
  239    HD3  PRO  33           HD3      PRO  33   9.751   2.141   0.674
  240    H    GLU  34           H        GLU  34   6.853   2.948  -1.849
  241    HA   GLU  34           HA       GLU  34   6.060   2.042  -4.505
  242    HB2  GLU  34           HB2      GLU  34   4.710   2.231  -1.845
  243    HB3  GLU  34           HB3      GLU  34   3.721   2.194  -3.299
  244    HG2  GLU  34           HG2      GLU  34   4.044  -0.022  -2.273
  245    HG3  GLU  34           HG3      GLU  34   4.625   0.069  -3.934
  246    H    CYS  35           H        CYS  35   7.104   4.788  -3.945
  247    HA   CYS  35           HA       CYS  35   4.790   6.294  -4.968
  248    HB2  CYS  35           HB2      CYS  35   7.031   7.495  -3.345
  249    HB3  CYS  35           HB3      CYS  35   5.497   8.239  -3.785
  250    H    GLY  36           H        GLY  36   7.307   4.852  -6.125
  251    HA2  GLY  36           HA2      GLY  36   8.694   7.034  -7.426
  252    HA3  GLY  36           HA3      GLY  36   9.004   5.321  -7.645
  253    HA   PRO  37           HA       PRO  37   6.515   5.269 -11.284
  254    HB2  PRO  37           HB2      PRO  37   4.486   3.491 -10.969
  255    HB3  PRO  37           HB3      PRO  37   6.177   3.017 -11.140
  256    HG2  PRO  37           HG2      PRO  37   4.472   3.101  -8.715
  257    HG3  PRO  37           HG3      PRO  37   5.818   2.025  -9.111
  258    HD2  PRO  37           HD2      PRO  37   5.932   4.221  -7.402
  259    HD3  PRO  37           HD3      PRO  37   7.323   3.392  -8.119
  260    H    THR  38           H        THR  38   3.621   4.650  -9.335
  261    HA   THR  38           HA       THR  38   2.174   6.703 -10.702
  262    HB   THR  38           HB       THR  38   0.978   4.722 -10.039
  263    HG1  THR  38           HG1      THR  38  -0.746   5.698  -9.194
  264   HG21  THR  38          HG21      THR  38   1.375   3.630  -8.169
  265   HG22  THR  38          HG22      THR  38   0.739   4.986  -7.240
  266   HG23  THR  38          HG23      THR  38   2.457   4.918  -7.636
  267    H    GLY  39           H        GLY  39   3.811   6.423  -7.628
  268    HA2  GLY  39           HA2      GLY  39   4.479   8.150  -6.216
  269    HA3  GLY  39           HA3      GLY  39   3.565   9.278  -7.208
  270    H    TYR  40           H        TYR  40   1.527   6.798  -6.656
  271    HA   TYR  40           HA       TYR  40   0.366   8.054  -4.262
  272    HB2  TYR  40           HB2      TYR  40  -0.917   6.762  -6.670
  273    HB3  TYR  40           HB3      TYR  40  -1.802   7.060  -5.184
  274    HD1  TYR  40           HD1      TYR  40   0.612   9.099  -7.191
  275    HD2  TYR  40           HD2      TYR  40  -3.259   8.824  -5.448
  276    HE1  TYR  40           HE1      TYR  40   0.113  11.379  -7.958
  277    HE2  TYR  40           HE2      TYR  40  -3.770  11.106  -6.212
  278    HH   TYR  40           HH       TYR  40  -3.044  12.693  -7.887
  279    H    VAL  41           H        VAL  41   0.153   6.766  -2.496
  280    HA   VAL  41           HA       VAL  41   0.447   3.862  -2.914
  281    HB   VAL  41           HB       VAL  41   1.439   3.712  -0.681
  282   HG11  VAL  41          HG11      VAL  41   3.600   4.781  -1.226
  283   HG12  VAL  41          HG12      VAL  41   2.812   5.633  -2.554
  284   HG13  VAL  41          HG13      VAL  41   2.918   3.873  -2.575
  285   HG21  VAL  41          HG21      VAL  41   2.271   5.928   0.303
  286   HG22  VAL  41          HG22      VAL  41   0.569   5.521   0.523
  287   HG23  VAL  41          HG23      VAL  41   1.044   6.688  -0.711
  288    H    GLU  42           H        GLU  42  -1.086   2.567  -2.205
  289    HA   GLU  42           HA       GLU  42  -3.305   3.699  -0.653
  290    HB2  GLU  42           HB2      GLU  42  -4.450   1.534  -1.405
  291    HB3  GLU  42           HB3      GLU  42  -4.121   2.733  -2.641
  292    HG2  GLU  42           HG2      GLU  42  -2.769   1.371  -3.761
  293    HG3  GLU  42           HG3      GLU  42  -1.950   0.840  -2.296
  294    H    LYS  43           H        LYS  43  -4.452   1.980   0.738
  295    HA   LYS  43           HA       LYS  43  -2.432   0.506   2.294
  296    HB2  LYS  43           HB2      LYS  43  -3.966   2.631   3.176
  297    HB3  LYS  43           HB3      LYS  43  -4.854   1.230   3.757
  298    HG2  LYS  43           HG2      LYS  43  -3.173   0.569   5.165
  299    HG3  LYS  43           HG3      LYS  43  -1.916   1.352   4.205
  300    HD2  LYS  43           HD2      LYS  43  -2.167   3.332   5.258
  301    HD3  LYS  43           HD3      LYS  43  -3.921   3.164   5.369
  302    HE2  LYS  43           HE2      LYS  43  -3.110   3.106   7.589
  303    HE3  LYS  43           HE3      LYS  43  -3.518   1.443   7.171
  304    HZ1  LYS  43           HZ1      LYS  43  -0.878   2.669   7.554
  305    HZ2  LYS  43           HZ2      LYS  43  -1.021   1.356   6.495
  306    HZ3  LYS  43           HZ3      LYS  43  -1.466   1.187   8.118
  307    H    ILE  44           H        ILE  44  -2.733  -1.499   1.432
  308    HA   ILE  44           HA       ILE  44  -5.456  -2.598   1.390
  309    HB   ILE  44           HB       ILE  44  -4.315  -4.513   0.142
  310   HG12  ILE  44          HG12      ILE  44  -2.196  -2.651  -0.720
  311   HG13  ILE  44          HG13      ILE  44  -2.006  -3.287   0.911
  312   HG21  ILE  44          HG21      ILE  44  -4.782  -1.753  -0.855
  313   HG22  ILE  44          HG22      ILE  44  -5.635  -3.251  -1.228
  314   HG23  ILE  44          HG23      ILE  44  -4.058  -2.929  -1.951
  315   HD11  ILE  44          HD11      ILE  44  -2.313  -5.581  -0.095
  316   HD12  ILE  44          HD12      ILE  44  -0.821  -4.736  -0.500
  317   HD13  ILE  44          HD13      ILE  44  -2.139  -4.807  -1.669
  318    H    THR  45           H        THR  45  -6.096  -4.084   2.812
  319    HA   THR  45           HA       THR  45  -4.127  -5.121   4.721
  320    HB   THR  45           HB       THR  45  -7.121  -5.347   4.958
  321    HG1  THR  45           HG1      THR  45  -7.246  -3.333   5.522
  322   HG21  THR  45          HG21      THR  45  -5.694  -6.648   6.525
  323   HG22  THR  45          HG22      THR  45  -6.751  -5.470   7.303
  324   HG23  THR  45          HG23      THR  45  -5.035  -5.119   7.107
  325    H    CYS  46           H        CYS  46  -3.771  -7.278   5.027
  326    HA   CYS  46           HA       CYS  46  -4.815  -9.043   2.953
  327    HB2  CYS  46           HB2      CYS  46  -2.548  -9.347   4.927
  328    HB3  CYS  46           HB3      CYS  46  -3.078 -10.641   3.867
  329    H    SER  47           H        SER  47  -6.480 -10.325   3.329
  330    HA   SER  47           HA       SER  47  -7.867 -10.568   5.698
  331    HB2  SER  47           HB2      SER  47  -8.929 -11.261   3.673
  332    HB3  SER  47           HB3      SER  47  -7.671 -12.453   3.344
  333    HG   SER  47           HG       SER  47  -9.547 -12.521   5.475
  334    H    SER  48           H        SER  48  -5.027 -12.247   4.624
  335    HA   SER  48           HA       SER  48  -5.167 -14.227   6.733
  336    HB2  SER  48           HB2      SER  48  -3.714 -13.919   4.253
  337    HB3  SER  48           HB3      SER  48  -2.603 -14.282   5.573
  338    HG   SER  48           HG       SER  48  -4.768 -15.799   4.603
  339    H    SER  49           H        SER  49  -4.897 -13.360   8.671
  340    HA   SER  49           HA       SER  49  -3.730 -12.651  10.504
  341    HB2  SER  49           HB2      SER  49  -1.604 -12.755   8.506
  342    HB3  SER  49           HB3      SER  49  -1.368 -11.450   9.663
  343    HG   SER  49           HG       SER  49  -1.174 -14.151  10.012
  344    H    LYS  50           H        LYS  50  -5.157 -10.924   8.264
  345    HA   LYS  50           HA       LYS  50  -5.634  -8.712   7.877
  346    HB2  LYS  50           HB2      LYS  50  -5.844  -9.286  10.749
  347    HB3  LYS  50           HB3      LYS  50  -5.708  -7.573  10.373
  348    HG2  LYS  50           HG2      LYS  50  -7.713  -9.377   9.051
  349    HG3  LYS  50           HG3      LYS  50  -8.043  -8.496  10.543
  350    HD2  LYS  50           HD2      LYS  50  -7.484  -6.386   9.359
  351    HD3  LYS  50           HD3      LYS  50  -7.305  -7.312   7.868
  352    HE2  LYS  50           HE2      LYS  50  -9.541  -7.619   7.628
  353    HE3  LYS  50           HE3      LYS  50  -9.828  -7.679   9.366
  354    HZ1  LYS  50           HZ1      LYS  50  -9.753  -5.378   7.574
  355    HZ2  LYS  50           HZ2      LYS  50  -9.149  -5.151   9.138
  356    HZ3  LYS  50           HZ3      LYS  50 -10.741  -5.673   8.914
  357    H    ARG  51           H        ARG  51  -3.468  -8.460   6.897
  358    HA   ARG  51           HA       ARG  51  -1.785  -6.649   8.490
  359    HB2  ARG  51           HB2      ARG  51  -1.111  -9.049   7.161
  360    HB3  ARG  51           HB3      ARG  51  -0.354  -7.745   6.265
  361    HG2  ARG  51           HG2      ARG  51   0.642  -6.936   8.387
  362    HG3  ARG  51           HG3      ARG  51  -0.029  -8.356   9.192
  363    HD2  ARG  51           HD2      ARG  51   1.303  -9.828   7.880
  364    HD3  ARG  51           HD3      ARG  51   1.804  -8.519   6.810
  365    HE   ARG  51           HE       ARG  51   2.705  -7.713   9.226
  366   HH11  ARG  51          HH11      ARG  51   3.056 -10.680   7.423
  367   HH12  ARG  51          HH12      ARG  51   4.612 -11.047   8.088
  368   HH21  ARG  51          HH21      ARG  51   4.752  -8.193  10.102
  369   HH22  ARG  51          HH22      ARG  51   5.575  -9.636   9.609
  370    H    ASN  52           H        ASN  52  -1.810  -4.636   7.842
  371    HA   ASN  52           HA       ASN  52  -2.750  -3.977   5.163
  372    HB2  ASN  52           HB2      ASN  52  -2.605  -1.584   6.102
  373    HB3  ASN  52           HB3      ASN  52  -3.837  -2.653   6.766
  374   HD21  ASN  52          HD21      ASN  52  -0.596  -1.391   7.320
  375   HD22  ASN  52          HD22      ASN  52  -0.659  -1.489   9.042
  376    H    GLU  53           H        GLU  53  -1.307  -3.876   3.600
  377    HA   GLU  53           HA       GLU  53   1.432  -3.041   4.226
  378    HB2  GLU  53           HB2      GLU  53   0.208  -4.856   2.272
  379    HB3  GLU  53           HB3      GLU  53   1.464  -3.829   1.598
  380    HG2  GLU  53           HG2      GLU  53   1.725  -5.731   3.913
  381    HG3  GLU  53           HG3      GLU  53   2.434  -5.899   2.308
  382    H    PHE  54           H        PHE  54   2.542  -1.680   2.604
  383    HA   PHE  54           HA       PHE  54   0.741   0.455   1.697
  384    HB2  PHE  54           HB2      PHE  54   3.634   0.406   2.511
  385    HB3  PHE  54           HB3      PHE  54   3.010   1.719   1.518
  386    HD1  PHE  54           HD1      PHE  54   0.506   2.443   2.539
  387    HD2  PHE  54           HD2      PHE  54   3.892   1.030   4.694
  388    HE1  PHE  54           HE1      PHE  54  -0.309   3.586   4.559
  389    HE2  PHE  54           HE2      PHE  54   3.083   2.170   6.719
  390    HZ   PHE  54           HZ       PHE  54   0.980   3.450   6.654
  391    H    LYS  55           H        LYS  55   0.113  -0.192  -0.311
  392    HA   LYS  55           HA       LYS  55   2.222  -0.828  -2.261
  393    HB2  LYS  55           HB2      LYS  55  -0.208  -2.097  -1.703
  394    HB3  LYS  55           HB3      LYS  55  -0.482  -1.248  -3.219
  395    HG2  LYS  55           HG2      LYS  55   1.086  -2.490  -4.353
  396    HG3  LYS  55           HG3      LYS  55   1.987  -2.887  -2.889
  397    HD2  LYS  55           HD2      LYS  55   0.812  -4.843  -3.755
  398    HD3  LYS  55           HD3      LYS  55   0.180  -4.371  -2.177
  399    HE2  LYS  55           HE2      LYS  55  -1.630  -4.946  -3.700
  400    HE3  LYS  55           HE3      LYS  55  -1.693  -3.238  -3.267
  401    HZ1  LYS  55           HZ1      LYS  55  -0.643  -2.701  -5.376
  402    HZ2  LYS  55           HZ2      LYS  55  -2.075  -3.568  -5.628
  403    HZ3  LYS  55           HZ3      LYS  55  -0.578  -4.339  -5.791
  404    H    SER  56           H        SER  56   1.389  -0.184  -4.601
  405    HA   SER  56           HA       SER  56   0.529   2.634  -4.463
  406    HB2  SER  56           HB2      SER  56   2.100   3.248  -6.075
  407    HB3  SER  56           HB3      SER  56   2.990   2.045  -5.143
  408    HG   SER  56           HG       SER  56   3.274   1.281  -7.112
  409    H    CYS  57           H        CYS  57  -1.086   3.285  -5.830
  410    HA   CYS  57           HA       CYS  57  -1.993   1.335  -7.840
  411    HB2  CYS  57           HB2      CYS  57  -4.174   1.324  -7.127
  412    HB3  CYS  57           HB3      CYS  57  -3.355   1.508  -5.590
  413    H    ARG  58           H        ARG  58  -3.883   2.495  -9.158
  414    HA   ARG  58           HA       ARG  58  -2.593   4.851 -10.290
  415    HB2  ARG  58           HB2      ARG  58  -5.041   3.582 -11.458
  416    HB3  ARG  58           HB3      ARG  58  -3.717   4.402 -12.269
  417    HG2  ARG  58           HG2      ARG  58  -2.305   2.539 -12.098
  418    HG3  ARG  58           HG3      ARG  58  -3.338   1.765 -10.895
  419    HD2  ARG  58           HD2      ARG  58  -4.008   0.582 -12.709
  420    HD3  ARG  58           HD3      ARG  58  -5.102   1.954 -12.881
  421    HE   ARG  58           HE       ARG  58  -2.937   2.726 -14.298
  422   HH11  ARG  58          HH11      ARG  58  -4.891  -0.165 -14.336
  423   HH12  ARG  58          HH12      ARG  58  -4.626  -0.473 -16.019
  424   HH21  ARG  58          HH21      ARG  58  -2.588   2.323 -16.512
  425   HH22  ARG  58          HH22      ARG  58  -3.318   0.939 -17.254
  426    H    SER  59           H        SER  59  -3.282   6.834  -9.854
  427    HA   SER  59           HA       SER  59  -5.860   7.170  -8.519
  428    HB2  SER  59           HB2      SER  59  -3.360   8.279  -8.063
  429    HB3  SER  59           HB3      SER  59  -4.258   9.587  -8.833
  430    HG   SER  59           HG       SER  59  -5.178   8.084  -6.608
  431    H    ALA  60           H        ALA  60  -4.194   7.967 -11.474
  432    HA   ALA  60           HA       ALA  60  -6.066   9.944 -12.354
  433    HB1  ALA  60           HB1      ALA  60  -3.907  10.122 -13.261
  434    HB2  ALA  60           HB2      ALA  60  -4.919   9.553 -14.588
  435    HB3  ALA  60           HB3      ALA  60  -3.873   8.422 -13.730
  436    H    LEU  61           H        LEU  61  -6.320   6.625 -12.045
  437    HA   LEU  61           HA       LEU  61  -8.273   6.450 -14.239
  438    HB2  LEU  61           HB2      LEU  61  -6.555   4.370 -12.915
  439    HB3  LEU  61           HB3      LEU  61  -7.979   3.927 -13.837
  440    HG   LEU  61           HG       LEU  61  -6.919   5.253 -15.767
  441   HD11  LEU  61          HD11      LEU  61  -5.217   6.374 -14.382
  442   HD12  LEU  61          HD12      LEU  61  -4.513   5.465 -15.719
  443   HD13  LEU  61          HD13      LEU  61  -4.459   4.810 -14.083
  444   HD21  LEU  61          HD21      LEU  61  -6.203   2.584 -14.715
  445   HD22  LEU  61          HD22      LEU  61  -5.203   3.219 -16.022
  446   HD23  LEU  61          HD23      LEU  61  -6.942   3.040 -16.250
  447    H    MET  62           H        MET  62  -7.712   5.965 -10.822
  448    HA   MET  62           HA       MET  62 -10.064   4.605 -10.157
  449    HB2  MET  62           HB2      MET  62  -8.176   6.374  -8.654
  450    HB3  MET  62           HB3      MET  62  -9.688   5.893  -7.895
  451    HG2  MET  62           HG2      MET  62  -7.641   3.986  -9.003
  452    HG3  MET  62           HG3      MET  62  -7.780   4.445  -7.307
  453    HE1  MET  62           HE1      MET  62 -10.223   4.614  -6.366
  454    HE2  MET  62           HE2      MET  62 -11.170   3.131  -6.242
  455    HE3  MET  62           HE3      MET  62 -11.501   4.283  -7.535
  456    H    GLU  63           H        GLU  63  -9.375   8.071 -10.366
  457    HA   GLU  63           HA       GLU  63 -12.167   8.619 -10.870
  458    HB2  GLU  63           HB2      GLU  63 -11.499   8.666  -8.262
  459    HB3  GLU  63           HB3      GLU  63 -11.049  10.307  -8.703
  460    HG2  GLU  63           HG2      GLU  63 -13.282  10.341  -7.881
  461    HG3  GLU  63           HG3      GLU  63 -13.333  10.625  -9.621
  462    H    GLN  64           H        GLN  64 -11.436   9.371 -12.864
  463    HA   GLN  64           HA       GLN  64 -10.382  12.077 -12.803
  464    HB2  GLN  64           HB2      GLN  64  -8.571  10.088 -13.152
  465    HB3  GLN  64           HB3      GLN  64  -9.052  10.375 -14.819
  466    HG2  GLN  64           HG2      GLN  64  -8.488  12.808 -13.298
  467    HG3  GLN  64           HG3      GLN  64  -7.107  11.729 -13.490
  468   HE21  GLN  64          HE21      GLN  64  -9.214  13.955 -15.008
  469   HE22  GLN  64          HE22      GLN  64  -8.488  13.923 -16.575
  470    H    ARG  65           H        ARG  65 -11.048  13.321 -14.513
  471    HA   ARG  65           HA       ARG  65 -12.251  12.107 -16.845
  472    HB2  ARG  65           HB2      ARG  65 -14.435  13.141 -16.563
  473    HB3  ARG  65           HB3      ARG  65 -14.096  12.066 -15.214
  474    HG2  ARG  65           HG2      ARG  65 -14.883  13.828 -14.042
  475    HG3  ARG  65           HG3      ARG  65 -13.196  14.334 -14.152
  476    HD2  ARG  65           HD2      ARG  65 -13.661  16.031 -15.568
  477    HD3  ARG  65           HD3      ARG  65 -14.913  15.122 -16.413
  478    HE   ARG  65           HE       ARG  65 -15.659  15.920 -13.755
  479   HH11  ARG  65          HH11      ARG  65 -15.535  16.892 -17.104
  480   HH12  ARG  65          HH12      ARG  65 -16.814  18.049 -16.946
  481   HH21  ARG  65          HH21      ARG  65 -17.341  17.443 -13.544
  482   HH22  ARG  65          HH22      ARG  65 -17.838  18.362 -14.925
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  11.513  -1.084   1.875
    2    H2   GLY   1           H2       GLY   1  10.905  -0.256   0.532
    3    H3   GLY   1           H3       GLY   1   9.842  -0.981   1.631
    4    HA2  GLY   1           HA2      GLY   1  11.269   1.547   1.809
    5    HA3  GLY   1           HA3      GLY   1   9.680   1.113   2.421
    6    H    SER   2           H        SER   2  10.789  -1.321   3.727
    7    HA   SER   2           HA       SER   2  11.362  -0.143   6.251
    8    HB2  SER   2           HB2      SER   2  11.658  -2.482   7.019
    9    HB3  SER   2           HB3      SER   2  10.167  -2.266   6.101
   10    HG   SER   2           HG       SER   2  12.268  -3.878   5.590
   11    H    GLY   3           H        GLY   3  13.318  -1.649   3.743
   12    HA2  GLY   3           HA2      GLY   3  15.593  -0.939   3.417
   13    HA3  GLY   3           HA3      GLY   3  15.714  -0.673   5.150
   14    H    MET   4           H        MET   4  14.490  -3.175   5.902
   15    HA   MET   4           HA       MET   4  16.819  -4.871   5.566
   16    HB2  MET   4           HB2      MET   4  14.472  -4.802   7.395
   17    HB3  MET   4           HB3      MET   4  15.244  -6.358   7.124
   18    HG2  MET   4           HG2      MET   4  16.504  -5.722   8.867
   19    HG3  MET   4           HG3      MET   4  17.413  -4.868   7.622
   20    HE1  MET   4           HE1      MET   4  17.178  -4.633  10.691
   21    HE2  MET   4           HE2      MET   4  16.609  -3.069  11.275
   22    HE3  MET   4           HE3      MET   4  18.083  -3.168  10.312
   23    H    LYS   5           H        LYS   5  16.375  -7.288   5.301
   24    HA   LYS   5           HA       LYS   5  15.001  -7.645   2.804
   25    HB2  LYS   5           HB2      LYS   5  16.741  -9.310   4.554
   26    HB3  LYS   5           HB3      LYS   5  15.681 -10.148   3.430
   27    HG2  LYS   5           HG2      LYS   5  17.591  -7.982   2.596
   28    HG3  LYS   5           HG3      LYS   5  17.999  -9.699   2.597
   29    HD2  LYS   5           HD2      LYS   5  15.936 -10.024   1.140
   30    HD3  LYS   5           HD3      LYS   5  15.930  -8.270   0.947
   31    HE2  LYS   5           HE2      LYS   5  17.873  -8.263  -0.279
   32    HE3  LYS   5           HE3      LYS   5  18.456  -9.766   0.436
   33    HZ1  LYS   5           HZ1      LYS   5  16.071  -9.790  -1.290
   34    HZ2  LYS   5           HZ2      LYS   5  17.171 -11.035  -0.969
   35    HZ3  LYS   5           HZ3      LYS   5  17.612  -9.759  -1.986
   36    H    GLU   6           H        GLU   6  12.858  -7.808   2.756
   37    HA   GLU   6           HA       GLU   6  11.485  -9.939   3.976
   38    HB2  GLU   6           HB2      GLU   6  10.064  -8.718   5.550
   39    HB3  GLU   6           HB3      GLU   6  11.756  -8.613   6.016
   40    HG2  GLU   6           HG2      GLU   6  11.843  -6.372   4.940
   41    HG3  GLU   6           HG3      GLU   6  10.102  -6.485   4.682
   42    H    PHE   7           H        PHE   7   9.521 -10.261   3.027
   43    HA   PHE   7           HA       PHE   7   8.792  -8.363   0.925
   44    HB2  PHE   7           HB2      PHE   7   7.286 -10.893   1.119
   45    HB3  PHE   7           HB3      PHE   7   8.019 -10.122  -0.281
   46    HD1  PHE   7           HD1      PHE   7  10.802 -10.013   0.226
   47    HD2  PHE   7           HD2      PHE   7   8.029 -13.043   1.340
   48    HE1  PHE   7           HE1      PHE   7  12.628 -11.661   0.277
   49    HE2  PHE   7           HE2      PHE   7   9.850 -14.696   1.395
   50    HZ   PHE   7           HZ       PHE   7  12.154 -14.006   0.862
   51    HA   PRO   8           HA       PRO   8   4.963  -7.270   2.872
   52    HB2  PRO   8           HB2      PRO   8   3.230  -7.022   0.871
   53    HB3  PRO   8           HB3      PRO   8   4.695  -6.033   0.911
   54    HG2  PRO   8           HG2      PRO   8   4.115  -8.497  -0.683
   55    HG3  PRO   8           HG3      PRO   8   4.944  -7.014  -1.181
   56    HD2  PRO   8           HD2      PRO   8   6.202  -9.357  -0.386
   57    HD3  PRO   8           HD3      PRO   8   6.954  -7.751  -0.397
   58    H    CYS   9           H        CYS   9   2.356  -7.795   2.464
   59    HA   CYS   9           HA       CYS   9   2.171 -10.676   3.001
   60    HB2  CYS   9           HB2      CYS   9   0.203 -10.231   4.295
   61    HB3  CYS   9           HB3      CYS   9   1.436  -9.084   4.800
   62    H    TRP  10           H        TRP  10   1.047  -8.122   0.930
   63    HA   TRP  10           HA       TRP  10  -1.165  -9.518  -0.182
   64    HB2  TRP  10           HB2      TRP  10  -0.963  -7.787  -2.011
   65    HB3  TRP  10           HB3      TRP  10  -1.154  -7.149  -0.385
   66    HD1  TRP  10           HD1      TRP  10   0.892  -5.801   0.660
   67    HE1  TRP  10           HE1      TRP  10   2.987  -4.748  -0.403
   68    HE3  TRP  10           HE3      TRP  10   0.765  -8.152  -3.866
   69    HZ2  TRP  10           HZ2      TRP  10   4.401  -4.899  -2.843
   70    HZ3  TRP  10           HZ3      TRP  10   2.522  -7.645  -5.515
   71    HH2  TRP  10           HH2      TRP  10   4.302  -6.051  -5.011
   72    H    LEU  11           H        LEU  11   2.218  -9.753  -0.628
   73    HA   LEU  11           HA       LEU  11   2.091 -10.802  -3.305
   74    HB2  LEU  11           HB2      LEU  11   4.245 -10.384  -1.282
   75    HB3  LEU  11           HB3      LEU  11   4.540 -11.468  -2.630
   76    HG   LEU  11           HG       LEU  11   3.731  -8.569  -2.888
   77   HD11  LEU  11          HD11      LEU  11   6.265  -9.741  -2.321
   78   HD12  LEU  11          HD12      LEU  11   5.869  -8.047  -2.611
   79   HD13  LEU  11          HD13      LEU  11   6.299  -9.095  -3.962
   80   HD21  LEU  11          HD21      LEU  11   2.960  -9.711  -4.798
   81   HD22  LEU  11          HD22      LEU  11   4.412 -10.708  -4.890
   82   HD23  LEU  11          HD23      LEU  11   4.497  -8.988  -5.271
   83    H    VAL  12           H        VAL  12   1.751 -12.057  -0.130
   84    HA   VAL  12           HA       VAL  12   1.803 -14.789  -1.227
   85    HB   VAL  12           HB       VAL  12   2.528 -15.607   0.996
   86   HG11  VAL  12          HG11      VAL  12   4.873 -14.956   0.770
   87   HG12  VAL  12          HG12      VAL  12   4.405 -13.629  -0.294
   88   HG13  VAL  12          HG13      VAL  12   4.149 -15.298  -0.801
   89   HG21  VAL  12          HG21      VAL  12   3.752 -13.522   2.236
   90   HG22  VAL  12          HG22      VAL  12   2.171 -14.163   2.682
   91   HG23  VAL  12          HG23      VAL  12   2.286 -12.751   1.632
   92    H    GLU  13           H        GLU  13  -0.159 -12.445  -0.060
   93    HA   GLU  13           HA       GLU  13  -2.155 -14.405   0.802
   94    HB2  GLU  13           HB2      GLU  13  -1.612 -11.834   2.301
   95    HB3  GLU  13           HB3      GLU  13  -2.870 -13.002   2.668
   96    HG2  GLU  13           HG2      GLU  13  -1.493 -14.248   3.871
   97    HG3  GLU  13           HG3      GLU  13  -0.256 -14.234   2.619
   98    H    GLU  14           H        GLU  14  -4.361 -13.278   1.009
   99    HA   GLU  14           HA       GLU  14  -4.775 -11.749  -1.425
  100    HB2  GLU  14           HB2      GLU  14  -6.891 -12.571   0.553
  101    HB3  GLU  14           HB3      GLU  14  -7.089 -12.196  -1.151
  102    HG2  GLU  14           HG2      GLU  14  -5.798 -14.627   0.049
  103    HG3  GLU  14           HG3      GLU  14  -7.287 -14.545  -0.890
  104    H    PHE  15           H        PHE  15  -5.043  -9.610  -1.492
  105    HA   PHE  15           HA       PHE  15  -5.428  -8.203   1.064
  106    HB2  PHE  15           HB2      PHE  15  -4.092  -6.417   0.274
  107    HB3  PHE  15           HB3      PHE  15  -3.226  -7.885  -0.161
  108    HD1  PHE  15           HD1      PHE  15  -5.315  -5.144  -1.461
  109    HD2  PHE  15           HD2      PHE  15  -2.800  -8.438  -2.426
  110    HE1  PHE  15           HE1      PHE  15  -5.238  -4.393  -3.801
  111    HE2  PHE  15           HE2      PHE  15  -2.718  -7.693  -4.769
  112    HZ   PHE  15           HZ       PHE  15  -3.938  -5.668  -5.459
  113    H    VAL  16           H        VAL  16  -6.585  -6.194   1.022
  114    HA   VAL  16           HA       VAL  16  -8.463  -5.906  -1.211
  115    HB   VAL  16           HB       VAL  16 -10.247  -5.368   0.527
  116   HG11  VAL  16          HG11      VAL  16 -11.086  -7.439   0.232
  117   HG12  VAL  16          HG12      VAL  16  -9.644  -8.228   0.867
  118   HG13  VAL  16          HG13      VAL  16  -9.671  -7.650  -0.799
  119   HG21  VAL  16          HG21      VAL  16  -8.899  -7.159   2.440
  120   HG22  VAL  16          HG22      VAL  16  -9.942  -5.765   2.727
  121   HG23  VAL  16          HG23      VAL  16  -8.243  -5.526   2.321
  122    H    VAL  17           H        VAL  17  -8.379  -3.887  -1.955
  123    HA   VAL  17           HA       VAL  17  -6.940  -1.818  -0.749
  124    HB   VAL  17           HB       VAL  17  -9.185  -1.422  -2.727
  125   HG11  VAL  17          HG11      VAL  17  -8.542   0.699  -2.171
  126   HG12  VAL  17          HG12      VAL  17  -7.371   0.364  -3.446
  127   HG13  VAL  17          HG13      VAL  17  -6.900   0.212  -1.754
  128   HG21  VAL  17          HG21      VAL  17  -6.518  -2.656  -3.048
  129   HG22  VAL  17          HG22      VAL  17  -7.001  -1.491  -4.281
  130   HG23  VAL  17          HG23      VAL  17  -8.004  -2.906  -3.964
  131    H    ALA  18           H        ALA  18  -7.550  -1.426   1.355
  132    HA   ALA  18           HA       ALA  18 -10.313  -0.785   1.973
  133    HB1  ALA  18           HB1      ALA  18  -9.496  -0.525   4.282
  134    HB2  ALA  18           HB2      ALA  18  -7.848  -0.799   3.714
  135    HB3  ALA  18           HB3      ALA  18  -9.051  -2.083   3.585
  136    H    GLU  19           H        GLU  19  -7.314   0.835   1.324
  137    HA   GLU  19           HA       GLU  19  -8.694   3.414   1.515
  138    HB2  GLU  19           HB2      GLU  19  -5.876   2.974   2.512
  139    HB3  GLU  19           HB3      GLU  19  -6.814   4.457   2.607
  140    HG2  GLU  19           HG2      GLU  19  -8.370   2.540   3.891
  141    HG3  GLU  19           HG3      GLU  19  -6.717   2.220   4.416
  142    H    GLU  20           H        GLU  20  -8.692   4.166  -0.509
  143    HA   GLU  20           HA       GLU  20  -7.141   3.344  -2.625
  144    HB2  GLU  20           HB2      GLU  20  -8.329   6.081  -2.143
  145    HB3  GLU  20           HB3      GLU  20  -7.705   5.528  -3.690
  146    HG2  GLU  20           HG2      GLU  20  -9.911   4.120  -2.219
  147    HG3  GLU  20           HG3      GLU  20 -10.198   5.408  -3.388
  148    H    CYS  21           H        CYS  21  -5.319   4.256  -3.717
  149    HA   CYS  21           HA       CYS  21  -3.281   5.069  -1.891
  150    HB2  CYS  21           HB2      CYS  21  -1.757   4.924  -3.747
  151    HB3  CYS  21           HB3      CYS  21  -2.829   3.537  -3.776
  152    H    SER  22           H        SER  22  -2.225   6.979  -1.708
  153    HA   SER  22           HA       SER  22  -3.200   9.246  -3.298
  154    HB2  SER  22           HB2      SER  22  -3.381   8.870  -0.361
  155    HB3  SER  22           HB3      SER  22  -2.874  10.465  -0.913
  156    HG   SER  22           HG       SER  22  -5.286   9.097  -1.416
  157    HA   PRO  23           HA       PRO  23   0.854  10.832  -3.828
  158    HB2  PRO  23           HB2      PRO  23   0.707  13.236  -2.346
  159    HB3  PRO  23           HB3      PRO  23   0.401  13.032  -4.072
  160    HG2  PRO  23           HG2      PRO  23  -1.522  13.160  -1.809
  161    HG3  PRO  23           HG3      PRO  23  -1.710  13.721  -3.480
  162    HD2  PRO  23           HD2      PRO  23  -2.920  11.497  -2.625
  163    HD3  PRO  23           HD3      PRO  23  -2.235  11.594  -4.261
  164    H    CYS  24           H        CYS  24   2.864  11.191  -2.792
  165    HA   CYS  24           HA       CYS  24   2.904  10.347   0.030
  166    HB2  CYS  24           HB2      CYS  24   5.029   9.974  -2.088
  167    HB3  CYS  24           HB3      CYS  24   5.115   9.397  -0.431
  168    H    SER  25           H        SER  25   3.510  11.848   1.431
  169    HA   SER  25           HA       SER  25   4.375  14.410   0.749
  170    HB2  SER  25           HB2      SER  25   4.766  12.953   3.376
  171    HB3  SER  25           HB3      SER  25   4.870  14.698   3.140
  172    HG   SER  25           HG       SER  25   2.823  14.493   3.720
  173    H    ASN  26           H        ASN  26   6.506  15.203   2.104
  174    HA   ASN  26           HA       ASN  26   8.679  14.488   0.499
  175    HB2  ASN  26           HB2      ASN  26   8.337  16.056   3.011
  176    HB3  ASN  26           HB3      ASN  26   9.970  15.571   2.562
  177   HD21  ASN  26          HD21      ASN  26   9.021  18.227   2.711
  178   HD22  ASN  26          HD22      ASN  26   9.107  18.909   1.125
  179    H    PHE  27           H        PHE  27   7.542  13.198   3.540
  180    HA   PHE  27           HA       PHE  27   9.925  11.535   3.829
  181    HB2  PHE  27           HB2      PHE  27   8.447  12.785   5.709
  182    HB3  PHE  27           HB3      PHE  27   7.649  11.216   5.701
  183    HD1  PHE  27           HD1      PHE  27   9.649   9.262   5.419
  184    HD2  PHE  27           HD2      PHE  27   9.892  12.983   7.470
  185    HE1  PHE  27           HE1      PHE  27  11.425   8.349   6.856
  186    HE2  PHE  27           HE2      PHE  27  11.670  12.078   8.910
  187    HZ   PHE  27           HZ       PHE  27  12.438   9.758   8.603
  188    H    ARG  28           H        ARG  28   6.452  11.254   3.255
  189    HA   ARG  28           HA       ARG  28   6.248   8.466   3.335
  190    HB2  ARG  28           HB2      ARG  28   4.458  10.432   3.050
  191    HB3  ARG  28           HB3      ARG  28   4.587   9.944   1.366
  192    HG2  ARG  28           HG2      ARG  28   4.217   7.551   2.294
  193    HG3  ARG  28           HG3      ARG  28   3.590   8.392   3.714
  194    HD2  ARG  28           HD2      ARG  28   2.597   8.600   0.877
  195    HD3  ARG  28           HD3      ARG  28   1.758   7.887   2.253
  196    HE   ARG  28           HE       ARG  28   2.433  10.659   2.614
  197   HH11  ARG  28          HH11      ARG  28   0.063   8.429   1.350
  198   HH12  ARG  28          HH12      ARG  28  -1.241   9.562   1.454
  199   HH21  ARG  28          HH21      ARG  28   0.717  12.149   2.752
  200   HH22  ARG  28          HH22      ARG  28  -0.871  11.674   2.250
  201    H    ALA  29           H        ALA  29   7.090  10.648   0.689
  202    HA   ALA  29           HA       ALA  29   7.390   8.428  -1.162
  203    HB1  ALA  29           HB1      ALA  29   7.206   9.945  -2.803
  204    HB2  ALA  29           HB2      ALA  29   8.324  11.068  -2.028
  205    HB3  ALA  29           HB3      ALA  29   6.634  11.015  -1.523
  206    H    LYS  30           H        LYS  30   9.235   9.312   1.281
  207    HA   LYS  30           HA       LYS  30  11.778   9.311  -0.174
  208    HB2  LYS  30           HB2      LYS  30  10.874  10.320   2.439
  209    HB3  LYS  30           HB3      LYS  30  12.456   9.553   2.461
  210    HG2  LYS  30           HG2      LYS  30  11.684  11.751   0.557
  211    HG3  LYS  30           HG3      LYS  30  12.499  12.015   2.101
  212    HD2  LYS  30           HD2      LYS  30  14.449  10.955   1.391
  213    HD3  LYS  30           HD3      LYS  30  13.625  10.115   0.075
  214    HE2  LYS  30           HE2      LYS  30  13.375  12.179  -1.146
  215    HE3  LYS  30           HE3      LYS  30  14.046  13.098   0.201
  216    HZ1  LYS  30           HZ1      LYS  30  15.839  12.873  -1.205
  217    HZ2  LYS  30           HZ2      LYS  30  15.424  11.304  -1.684
  218    HZ3  LYS  30           HZ3      LYS  30  16.079  11.575  -0.148
  219    H    THR  31           H        THR  31   9.882   7.458   2.121
  220    HA   THR  31           HA       THR  31  11.974   5.399   2.196
  221    HB   THR  31           HB       THR  31  10.179   4.496   3.978
  222    HG1  THR  31           HG1      THR  31   8.852   6.397   3.518
  223   HG21  THR  31          HG21      THR  31  12.347   6.518   4.365
  224   HG22  THR  31          HG22      THR  31  12.339   4.800   4.763
  225   HG23  THR  31          HG23      THR  31  11.384   5.931   5.722
  226    H    THR  32           H        THR  32   8.507   5.841   1.602
  227    HA   THR  32           HA       THR  32   8.020   3.140   0.873
  228    HB   THR  32           HB       THR  32   6.431   5.595   0.109
  229    HG1  THR  32           HG1      THR  32   6.221   5.704   2.203
  230   HG21  THR  32          HG21      THR  32   5.868   2.686   0.001
  231   HG22  THR  32          HG22      THR  32   5.375   3.980  -1.092
  232   HG23  THR  32          HG23      THR  32   4.563   3.779   0.461
  233    HA   PRO  33           HA       PRO  33   9.987   3.592  -3.169
  234    HB2  PRO  33           HB2      PRO  33   9.856   0.977  -3.852
  235    HB3  PRO  33           HB3      PRO  33  11.068   1.609  -2.731
  236    HG2  PRO  33           HG2      PRO  33   8.493   0.199  -2.138
  237    HG3  PRO  33           HG3      PRO  33  10.090  -0.029  -1.399
  238    HD2  PRO  33           HD2      PRO  33   8.128   1.428  -0.225
  239    HD3  PRO  33           HD3      PRO  33   9.850   1.799  -0.018
  240    H    GLU  34           H        GLU  34   6.832   2.482  -2.363
  241    HA   GLU  34           HA       GLU  34   5.892   1.897  -4.976
  242    HB2  GLU  34           HB2      GLU  34   4.650   2.361  -2.310
  243    HB3  GLU  34           HB3      GLU  34   3.617   2.485  -3.727
  244    HG2  GLU  34           HG2      GLU  34   3.336   0.289  -3.391
  245    HG3  GLU  34           HG3      GLU  34   4.865   0.164  -4.260
  246    H    CYS  35           H        CYS  35   6.744   4.819  -3.531
  247    HA   CYS  35           HA       CYS  35   4.831   6.415  -5.044
  248    HB2  CYS  35           HB2      CYS  35   7.074   7.459  -3.326
  249    HB3  CYS  35           HB3      CYS  35   5.587   8.278  -3.793
  250    H    GLY  36           H        GLY  36   7.012   4.790  -6.320
  251    HA2  GLY  36           HA2      GLY  36   8.713   6.880  -7.455
  252    HA3  GLY  36           HA3      GLY  36   8.930   5.149  -7.653
  253    HA   PRO  37           HA       PRO  37   6.607   5.331 -11.415
  254    HB2  PRO  37           HB2      PRO  37   4.707   3.442 -11.351
  255    HB3  PRO  37           HB3      PRO  37   6.425   3.036 -11.282
  256    HG2  PRO  37           HG2      PRO  37   4.402   3.095  -9.099
  257    HG3  PRO  37           HG3      PRO  37   5.772   2.000  -9.334
  258    HD2  PRO  37           HD2      PRO  37   5.713   4.208  -7.625
  259    HD3  PRO  37           HD3      PRO  37   7.169   3.353  -8.166
  260    H    THR  38           H        THR  38   4.054   5.029  -8.927
  261    HA   THR  38           HA       THR  38   2.381   6.847 -10.508
  262    HB   THR  38           HB       THR  38   1.132   4.929  -9.967
  263    HG1  THR  38           HG1      THR  38  -0.487   5.844  -8.959
  264   HG21  THR  38          HG21      THR  38   2.208   5.119  -7.168
  265   HG22  THR  38          HG22      THR  38   2.538   3.858  -8.356
  266   HG23  THR  38          HG23      THR  38   0.918   4.031  -7.680
  267    H    GLY  39           H        GLY  39   3.941   6.497  -7.386
  268    HA2  GLY  39           HA2      GLY  39   4.560   8.199  -5.920
  269    HA3  GLY  39           HA3      GLY  39   3.669   9.344  -6.915
  270    H    TYR  40           H        TYR  40   1.584   6.905  -6.529
  271    HA   TYR  40           HA       TYR  40   0.357   8.087  -4.133
  272    HB2  TYR  40           HB2      TYR  40  -0.848   6.798  -6.586
  273    HB3  TYR  40           HB3      TYR  40  -1.774   7.108  -5.126
  274    HD1  TYR  40           HD1      TYR  40   0.725   9.167  -7.007
  275    HD2  TYR  40           HD2      TYR  40  -3.248   8.835  -5.520
  276    HE1  TYR  40           HE1      TYR  40   0.244  11.441  -7.801
  277    HE2  TYR  40           HE2      TYR  40  -3.740  11.108  -6.315
  278    HH   TYR  40           HH       TYR  40  -2.053  13.292  -6.809
  279    H    VAL  41           H        VAL  41   0.144   6.772  -2.389
  280    HA   VAL  41           HA       VAL  41   0.426   3.875  -2.852
  281    HB   VAL  41           HB       VAL  41   1.437   3.665  -0.647
  282   HG11  VAL  41          HG11      VAL  41   2.946   3.891  -2.481
  283   HG12  VAL  41          HG12      VAL  41   3.578   4.855  -1.146
  284   HG13  VAL  41          HG13      VAL  41   2.757   5.645  -2.493
  285   HG21  VAL  41          HG21      VAL  41   2.276   6.079   0.199
  286   HG22  VAL  41          HG22      VAL  41   0.810   5.296   0.789
  287   HG23  VAL  41          HG23      VAL  41   0.709   6.520  -0.477
  288    H    GLU  42           H        GLU  42  -1.129   2.588  -2.180
  289    HA   GLU  42           HA       GLU  42  -3.345   3.711  -0.626
  290    HB2  GLU  42           HB2      GLU  42  -4.484   1.542  -1.390
  291    HB3  GLU  42           HB3      GLU  42  -4.155   2.753  -2.617
  292    HG2  GLU  42           HG2      GLU  42  -2.784   1.409  -3.738
  293    HG3  GLU  42           HG3      GLU  42  -1.982   0.858  -2.271
  294    H    LYS  43           H        LYS  43  -4.502   2.019   0.772
  295    HA   LYS  43           HA       LYS  43  -2.495   0.542   2.344
  296    HB2  LYS  43           HB2      LYS  43  -4.037   2.664   3.206
  297    HB3  LYS  43           HB3      LYS  43  -4.942   1.269   3.771
  298    HG2  LYS  43           HG2      LYS  43  -3.319   0.629   5.235
  299    HG3  LYS  43           HG3      LYS  43  -2.017   1.325   4.268
  300    HD2  LYS  43           HD2      LYS  43  -2.028   2.918   5.863
  301    HD3  LYS  43           HD3      LYS  43  -3.386   3.559   4.933
  302    HE2  LYS  43           HE2      LYS  43  -3.831   3.398   7.372
  303    HE3  LYS  43           HE3      LYS  43  -4.964   2.480   6.381
  304    HZ1  LYS  43           HZ1      LYS  43  -2.584   1.142   7.470
  305    HZ2  LYS  43           HZ2      LYS  43  -4.094   0.489   7.073
  306    HZ3  LYS  43           HZ3      LYS  43  -3.914   1.411   8.479
  307    H    ILE  44           H        ILE  44  -2.784  -1.462   1.457
  308    HA   ILE  44           HA       ILE  44  -5.501  -2.572   1.400
  309    HB   ILE  44           HB       ILE  44  -4.373  -4.478   0.158
  310   HG12  ILE  44          HG12      ILE  44  -2.175  -2.689  -0.642
  311   HG13  ILE  44          HG13      ILE  44  -2.054  -3.306   1.003
  312   HG21  ILE  44          HG21      ILE  44  -4.752  -1.704  -0.822
  313   HG22  ILE  44          HG22      ILE  44  -5.599  -3.187  -1.260
  314   HG23  ILE  44          HG23      ILE  44  -3.991  -2.867  -1.909
  315   HD11  ILE  44          HD11      ILE  44  -2.284  -5.596   0.112
  316   HD12  ILE  44          HD12      ILE  44  -0.856  -4.750  -0.483
  317   HD13  ILE  44          HD13      ILE  44  -2.272  -4.927  -1.520
  318    H    THR  45           H        THR  45  -6.145  -4.131   2.758
  319    HA   THR  45           HA       THR  45  -4.205  -5.111   4.728
  320    HB   THR  45           HB       THR  45  -7.206  -5.369   4.872
  321    HG1  THR  45           HG1      THR  45  -5.580  -3.254   5.832
  322   HG21  THR  45          HG21      THR  45  -6.102  -6.744   6.482
  323   HG22  THR  45          HG22      THR  45  -6.783  -5.344   7.311
  324   HG23  THR  45          HG23      THR  45  -5.054  -5.411   6.970
  325    H    CYS  46           H        CYS  46  -3.842  -7.270   5.075
  326    HA   CYS  46           HA       CYS  46  -4.799  -9.050   2.967
  327    HB2  CYS  46           HB2      CYS  46  -2.544  -9.313   4.961
  328    HB3  CYS  46           HB3      CYS  46  -3.036 -10.610   3.887
  329    H    SER  47           H        SER  47  -6.446 -10.358   3.325
  330    HA   SER  47           HA       SER  47  -7.847 -10.644   5.676
  331    HB2  SER  47           HB2      SER  47  -8.861 -11.345   3.622
  332    HB3  SER  47           HB3      SER  47  -7.586 -12.527   3.326
  333    HG   SER  47           HG       SER  47  -8.725 -13.894   4.422
  334    H    SER  48           H        SER  48  -4.965 -12.262   4.620
  335    HA   SER  48           HA       SER  48  -5.085 -14.252   6.722
  336    HB2  SER  48           HB2      SER  48  -3.622 -13.912   4.253
  337    HB3  SER  48           HB3      SER  48  -2.514 -14.259   5.579
  338    HG   SER  48           HG       SER  48  -4.791 -15.780   4.829
  339    H    SER  49           H        SER  49  -4.842 -13.388   8.665
  340    HA   SER  49           HA       SER  49  -3.698 -12.665  10.506
  341    HB2  SER  49           HB2      SER  49  -1.558 -12.720   8.520
  342    HB3  SER  49           HB3      SER  49  -1.354 -11.418   9.687
  343    HG   SER  49           HG       SER  49  -1.779 -13.128  11.308
  344    H    LYS  50           H        LYS  50  -5.136 -10.952   8.257
  345    HA   LYS  50           HA       LYS  50  -5.648  -8.745   7.880
  346    HB2  LYS  50           HB2      LYS  50  -5.882  -9.343  10.744
  347    HB3  LYS  50           HB3      LYS  50  -5.767  -7.625  10.383
  348    HG2  LYS  50           HG2      LYS  50  -7.721  -9.429   8.991
  349    HG3  LYS  50           HG3      LYS  50  -8.091  -8.622  10.517
  350    HD2  LYS  50           HD2      LYS  50  -7.465  -6.454   9.377
  351    HD3  LYS  50           HD3      LYS  50  -7.445  -7.359   7.861
  352    HE2  LYS  50           HE2      LYS  50  -9.590  -6.169   8.326
  353    HE3  LYS  50           HE3      LYS  50  -9.759  -7.906   8.075
  354    HZ1  LYS  50           HZ1      LYS  50  -9.474  -6.824  10.800
  355    HZ2  LYS  50           HZ2      LYS  50 -10.188  -8.273  10.297
  356    HZ3  LYS  50           HZ3      LYS  50 -10.980  -6.803  10.033
  357    H    ARG  51           H        ARG  51  -3.474  -8.450   6.927
  358    HA   ARG  51           HA       ARG  51  -1.835  -6.632   8.555
  359    HB2  ARG  51           HB2      ARG  51  -1.113  -8.999   7.198
  360    HB3  ARG  51           HB3      ARG  51  -0.375  -7.673   6.324
  361    HG2  ARG  51           HG2      ARG  51   0.598  -6.871   8.458
  362    HG3  ARG  51           HG3      ARG  51  -0.053  -8.312   9.244
  363    HD2  ARG  51           HD2      ARG  51   1.312  -9.746   7.926
  364    HD3  ARG  51           HD3      ARG  51   1.791  -8.421   6.867
  365    HE   ARG  51           HE       ARG  51   2.996  -9.147   9.332
  366   HH11  ARG  51          HH11      ARG  51   2.195  -6.383   7.357
  367   HH12  ARG  51          HH12      ARG  51   3.476  -5.403   7.989
  368   HH21  ARG  51          HH21      ARG  51   4.680  -7.859  10.165
  369   HH22  ARG  51          HH22      ARG  51   4.887  -6.241   9.583
  370    H    ASN  52           H        ASN  52  -1.823  -4.607   7.927
  371    HA   ASN  52           HA       ASN  52  -2.808  -3.904   5.275
  372    HB2  ASN  52           HB2      ASN  52  -2.901  -1.606   6.144
  373    HB3  ASN  52           HB3      ASN  52  -3.755  -2.725   7.204
  374   HD21  ASN  52          HD21      ASN  52  -2.927  -3.180   9.227
  375   HD22  ASN  52          HD22      ASN  52  -1.675  -2.236   9.951
  376    H    GLU  53           H        GLU  53  -1.351  -3.858   3.703
  377    HA   GLU  53           HA       GLU  53   1.383  -2.990   4.306
  378    HB2  GLU  53           HB2      GLU  53   0.175  -4.849   2.394
  379    HB3  GLU  53           HB3      GLU  53   1.381  -3.798   1.671
  380    HG2  GLU  53           HG2      GLU  53   1.754  -5.667   3.997
  381    HG3  GLU  53           HG3      GLU  53   2.439  -5.818   2.380
  382    H    PHE  54           H        PHE  54   2.476  -1.640   2.662
  383    HA   PHE  54           HA       PHE  54   0.654   0.472   1.738
  384    HB2  PHE  54           HB2      PHE  54   3.459   0.448   2.738
  385    HB3  PHE  54           HB3      PHE  54   3.040   1.654   1.525
  386    HD1  PHE  54           HD1      PHE  54   1.331   3.353   2.008
  387    HD2  PHE  54           HD2      PHE  54   2.658   0.605   4.973
  388    HE1  PHE  54           HE1      PHE  54   0.364   4.784   3.761
  389    HE2  PHE  54           HE2      PHE  54   1.693   2.030   6.731
  390    HZ   PHE  54           HZ       PHE  54   0.546   4.123   6.127
  391    H    LYS  55           H        LYS  55   0.052  -0.198  -0.270
  392    HA   LYS  55           HA       LYS  55   2.184  -0.824  -2.197
  393    HB2  LYS  55           HB2      LYS  55  -0.238  -2.109  -1.663
  394    HB3  LYS  55           HB3      LYS  55  -0.518  -1.251  -3.173
  395    HG2  LYS  55           HG2      LYS  55   1.043  -2.480  -4.320
  396    HG3  LYS  55           HG3      LYS  55   1.971  -2.858  -2.869
  397    HD2  LYS  55           HD2      LYS  55   0.819  -4.836  -3.716
  398    HD3  LYS  55           HD3      LYS  55   0.203  -4.375  -2.128
  399    HE2  LYS  55           HE2      LYS  55  -1.616  -4.987  -3.634
  400    HE3  LYS  55           HE3      LYS  55  -1.710  -3.286  -3.179
  401    HZ1  LYS  55           HZ1      LYS  55  -1.275  -2.606  -5.273
  402    HZ2  LYS  55           HZ2      LYS  55  -1.919  -4.118  -5.677
  403    HZ3  LYS  55           HZ3      LYS  55  -0.243  -3.901  -5.617
  404    H    SER  56           H        SER  56   1.371  -0.186  -4.549
  405    HA   SER  56           HA       SER  56   0.536   2.639  -4.418
  406    HB2  SER  56           HB2      SER  56   1.912   2.383  -6.805
  407    HB3  SER  56           HB3      SER  56   2.564   3.061  -5.315
  408    HG   SER  56           HG       SER  56   2.745   0.365  -6.183
  409    H    CYS  57           H        CYS  57  -1.019   3.347  -5.844
  410    HA   CYS  57           HA       CYS  57  -1.979   1.417  -7.841
  411    HB2  CYS  57           HB2      CYS  57  -4.160   1.405  -7.120
  412    HB3  CYS  57           HB3      CYS  57  -3.333   1.555  -5.582
  413    H    ARG  58           H        ARG  58  -3.755   2.561  -9.241
  414    HA   ARG  58           HA       ARG  58  -2.488   4.993 -10.225
  415    HB2  ARG  58           HB2      ARG  58  -4.849   3.754 -11.570
  416    HB3  ARG  58           HB3      ARG  58  -3.457   4.560 -12.273
  417    HG2  ARG  58           HG2      ARG  58  -2.065   2.622 -11.764
  418    HG3  ARG  58           HG3      ARG  58  -3.459   1.810 -11.050
  419    HD2  ARG  58           HD2      ARG  58  -3.660   0.924 -13.114
  420    HD3  ARG  58           HD3      ARG  58  -4.473   2.450 -13.459
  421    HE   ARG  58           HE       ARG  58  -1.634   2.544 -13.876
  422   HH11  ARG  58          HH11      ARG  58  -4.703   1.720 -15.315
  423   HH12  ARG  58          HH12      ARG  58  -4.136   1.917 -16.940
  424   HH21  ARG  58          HH21      ARG  58  -0.885   2.805 -16.011
  425   HH22  ARG  58          HH22      ARG  58  -1.969   2.533 -17.336
  426    H    SER  59           H        SER  59  -3.240   6.943  -9.762
  427    HA   SER  59           HA       SER  59  -5.816   7.208  -8.445
  428    HB2  SER  59           HB2      SER  59  -3.354   8.502  -8.180
  429    HB3  SER  59           HB3      SER  59  -4.417   9.711  -8.902
  430    HG   SER  59           HG       SER  59  -5.103   8.172  -6.621
  431    H    ALA  60           H        ALA  60  -4.403   7.760 -11.543
  432    HA   ALA  60           HA       ALA  60  -5.971   9.803 -12.571
  433    HB1  ALA  60           HB1      ALA  60  -5.403   7.574 -14.412
  434    HB2  ALA  60           HB2      ALA  60  -4.012   8.257 -13.571
  435    HB3  ALA  60           HB3      ALA  60  -5.040   9.293 -14.560
  436    H    LEU  61           H        LEU  61  -6.859   6.558 -11.778
  437    HA   LEU  61           HA       LEU  61  -9.447   6.924 -13.134
  438    HB2  LEU  61           HB2      LEU  61  -7.764   4.874 -13.515
  439    HB3  LEU  61           HB3      LEU  61  -8.638   4.252 -12.126
  440    HG   LEU  61           HG       LEU  61 -10.238   5.298 -14.407
  441   HD11  LEU  61          HD11      LEU  61  -8.223   3.646 -15.063
  442   HD12  LEU  61          HD12      LEU  61  -9.792   3.639 -15.868
  443   HD13  LEU  61          HD13      LEU  61  -9.447   2.465 -14.598
  444   HD21  LEU  61          HD21      LEU  61 -10.517   3.003 -12.471
  445   HD22  LEU  61          HD22      LEU  61 -11.674   3.391 -13.744
  446   HD23  LEU  61          HD23      LEU  61 -11.387   4.536 -12.435
  447    H    MET  62           H        MET  62  -7.841   6.286 -10.112
  448    HA   MET  62           HA       MET  62 -10.208   5.560  -8.679
  449    HB2  MET  62           HB2      MET  62  -7.498   6.457  -7.688
  450    HB3  MET  62           HB3      MET  62  -8.779   5.819  -6.667
  451    HG2  MET  62           HG2      MET  62  -7.687   4.248  -8.969
  452    HG3  MET  62           HG3      MET  62  -6.908   4.238  -7.388
  453    HE1  MET  62           HE1      MET  62  -9.151   1.813  -9.334
  454    HE2  MET  62           HE2      MET  62  -8.790   0.817  -7.925
  455    HE3  MET  62           HE3      MET  62  -7.522   1.798  -8.660
  456    H    GLU  63           H        GLU  63  -8.094   8.428  -8.477
  457    HA   GLU  63           HA       GLU  63 -10.397  10.162  -8.265
  458    HB2  GLU  63           HB2      GLU  63  -9.618   9.174  -5.912
  459    HB3  GLU  63           HB3      GLU  63  -8.452  10.484  -6.034
  460    HG2  GLU  63           HG2      GLU  63  -9.990  12.061  -5.648
  461    HG3  GLU  63           HG3      GLU  63 -11.210  11.258  -6.636
  462    H    GLN  64           H        GLN  64  -9.622  11.174 -10.105
  463    HA   GLN  64           HA       GLN  64  -7.130  12.705  -9.739
  464    HB2  GLN  64           HB2      GLN  64  -7.418  10.783 -11.601
  465    HB3  GLN  64           HB3      GLN  64  -8.069  12.148 -12.497
  466    HG2  GLN  64           HG2      GLN  64  -5.806  13.236 -11.498
  467    HG3  GLN  64           HG3      GLN  64  -5.313  11.555 -11.692
  468   HE21  GLN  64          HE21      GLN  64  -3.834  12.479 -13.275
  469   HE22  GLN  64          HE22      GLN  64  -4.393  12.741 -14.889
  470    H    ARG  65           H        ARG  65  -7.993  14.613  -9.057
  471    HA   ARG  65           HA       ARG  65 -10.334  15.782 -10.163
  472    HB2  ARG  65           HB2      ARG  65  -8.968  16.205  -7.892
  473    HB3  ARG  65           HB3      ARG  65  -8.316  17.523  -8.857
  474    HG2  ARG  65           HG2      ARG  65 -10.078  18.638  -8.025
  475    HG3  ARG  65           HG3      ARG  65 -10.940  17.845  -9.346
  476    HD2  ARG  65           HD2      ARG  65 -11.590  16.037  -7.824
  477    HD3  ARG  65           HD3      ARG  65 -10.742  16.845  -6.507
  478    HE   ARG  65           HE       ARG  65 -13.324  17.513  -7.575
  479   HH11  ARG  65          HH11      ARG  65 -10.544  18.722  -5.844
  480   HH12  ARG  65          HH12      ARG  65 -11.423  19.999  -5.074
  481   HH21  ARG  65          HH21      ARG  65 -14.482  19.193  -6.563
  482   HH22  ARG  65          HH22      ARG  65 -13.659  20.267  -5.481
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  27.448 -11.751   0.453
    2    H2   GLY   1           H2       GLY   1  26.628 -10.851  -0.721
    3    H3   GLY   1           H3       GLY   1  26.346 -12.512  -0.581
    4    HA2  GLY   1           HA2      GLY   1  24.566 -11.914   0.612
    5    HA3  GLY   1           HA3      GLY   1  25.751 -11.725   1.896
    6    H    SER   2           H        SER   2  23.710 -10.275   2.398
    7    HA   SER   2           HA       SER   2  24.615  -7.569   2.071
    8    HB2  SER   2           HB2      SER   2  22.313  -8.605   0.506
    9    HB3  SER   2           HB3      SER   2  22.104  -7.029   1.270
   10    HG   SER   2           HG       SER   2  23.007  -6.928  -0.866
   11    H    GLY   3           H        GLY   3  21.371  -8.915   2.648
   12    HA2  GLY   3           HA2      GLY   3  21.617  -8.509   5.505
   13    HA3  GLY   3           HA3      GLY   3  20.536  -7.384   4.698
   14    H    MET   4           H        MET   4  18.673  -8.106   5.688
   15    HA   MET   4           HA       MET   4  17.929 -10.912   5.257
   16    HB2  MET   4           HB2      MET   4  16.099 -10.409   6.901
   17    HB3  MET   4           HB3      MET   4  17.728 -10.276   7.551
   18    HG2  MET   4           HG2      MET   4  17.557  -8.060   7.901
   19    HG3  MET   4           HG3      MET   4  16.568  -7.797   6.467
   20    HE1  MET   4           HE1      MET   4  16.525  -8.024  10.346
   21    HE2  MET   4           HE2      MET   4  16.507  -9.712   9.837
   22    HE3  MET   4           HE3      MET   4  15.099  -9.019  10.642
   23    H    LYS   5           H        LYS   5  16.493 -11.430   3.747
   24    HA   LYS   5           HA       LYS   5  15.373  -9.509   2.012
   25    HB2  LYS   5           HB2      LYS   5  14.080 -11.444   1.095
   26    HB3  LYS   5           HB3      LYS   5  15.816 -11.712   1.182
   27    HG2  LYS   5           HG2      LYS   5  15.305 -13.641   2.165
   28    HG3  LYS   5           HG3      LYS   5  14.942 -12.675   3.597
   29    HD2  LYS   5           HD2      LYS   5  12.598 -12.495   2.841
   30    HD3  LYS   5           HD3      LYS   5  12.982 -13.534   1.467
   31    HE2  LYS   5           HE2      LYS   5  12.065 -15.003   3.025
   32    HE3  LYS   5           HE3      LYS   5  13.804 -15.214   3.230
   33    HZ1  LYS   5           HZ1      LYS   5  11.882 -13.858   5.002
   34    HZ2  LYS   5           HZ2      LYS   5  13.516 -13.419   5.041
   35    HZ3  LYS   5           HZ3      LYS   5  13.058 -15.011   5.385
   36    H    GLU   6           H        GLU   6  13.632  -8.283   2.243
   37    HA   GLU   6           HA       GLU   6  11.576  -9.117   4.184
   38    HB2  GLU   6           HB2      GLU   6  12.737  -6.431   3.540
   39    HB3  GLU   6           HB3      GLU   6  11.089  -6.540   4.144
   40    HG2  GLU   6           HG2      GLU   6  13.343  -7.875   5.587
   41    HG3  GLU   6           HG3      GLU   6  13.008  -6.158   5.811
   42    H    PHE   7           H        PHE   7   9.512  -9.254   3.516
   43    HA   PHE   7           HA       PHE   7   8.795  -8.106   0.911
   44    HB2  PHE   7           HB2      PHE   7   7.345 -10.382   0.821
   45    HB3  PHE   7           HB3      PHE   7   8.933 -10.217   0.083
   46    HD1  PHE   7           HD1      PHE   7   7.776 -10.790   3.587
   47    HD2  PHE   7           HD2      PHE   7  10.126 -12.160   0.314
   48    HE1  PHE   7           HE1      PHE   7   8.596 -12.657   4.963
   49    HE2  PHE   7           HE2      PHE   7  10.950 -14.030   1.684
   50    HZ   PHE   7           HZ       PHE   7  10.186 -14.280   4.011
   51    HA   PRO   8           HA       PRO   8   4.996  -7.067   2.928
   52    HB2  PRO   8           HB2      PRO   8   3.278  -6.888   0.909
   53    HB3  PRO   8           HB3      PRO   8   4.712  -5.853   0.954
   54    HG2  PRO   8           HG2      PRO   8   4.231  -8.355  -0.617
   55    HG3  PRO   8           HG3      PRO   8   5.003  -6.845  -1.130
   56    HD2  PRO   8           HD2      PRO   8   6.355  -9.119  -0.309
   57    HD3  PRO   8           HD3      PRO   8   7.033  -7.481  -0.314
   58    H    CYS   9           H        CYS   9   2.415  -7.679   2.499
   59    HA   CYS   9           HA       CYS   9   2.315 -10.562   3.049
   60    HB2  CYS   9           HB2      CYS   9   0.302 -10.169   4.299
   61    HB3  CYS   9           HB3      CYS   9   1.506  -9.006   4.835
   62    H    TRP  10           H        TRP  10   1.104  -8.047   0.973
   63    HA   TRP  10           HA       TRP  10  -1.041  -9.510  -0.164
   64    HB2  TRP  10           HB2      TRP  10  -0.791  -7.802  -2.048
   65    HB3  TRP  10           HB3      TRP  10  -1.144  -7.175  -0.446
   66    HD1  TRP  10           HD1      TRP  10   0.785  -5.774   0.784
   67    HE1  TRP  10           HE1      TRP  10   2.874  -4.580  -0.130
   68    HE3  TRP  10           HE3      TRP  10   1.027  -7.978  -3.816
   69    HZ2  TRP  10           HZ2      TRP  10   4.421  -4.575  -2.493
   70    HZ3  TRP  10           HZ3      TRP  10   2.839  -7.323  -5.349
   71    HH2  TRP  10           HH2      TRP  10   4.501  -5.655  -4.698
   72    H    LEU  11           H        LEU  11   2.370  -9.554  -0.654
   73    HA   LEU  11           HA       LEU  11   2.299 -10.669  -3.288
   74    HB2  LEU  11           HB2      LEU  11   4.415 -10.243  -1.220
   75    HB3  LEU  11           HB3      LEU  11   4.745 -11.279  -2.597
   76    HG   LEU  11           HG       LEU  11   3.898  -8.385  -2.758
   77   HD11  LEU  11          HD11      LEU  11   6.468  -8.885  -3.867
   78   HD12  LEU  11          HD12      LEU  11   6.438  -9.540  -2.231
   79   HD13  LEU  11          HD13      LEU  11   6.037  -7.846  -2.510
   80   HD21  LEU  11          HD21      LEU  11   4.722  -8.767  -5.168
   81   HD22  LEU  11          HD22      LEU  11   3.126  -9.371  -4.721
   82   HD23  LEU  11          HD23      LEU  11   4.493 -10.480  -4.818
   83    H    VAL  12           H        VAL  12   1.937 -11.923  -0.111
   84    HA   VAL  12           HA       VAL  12   2.065 -14.661  -1.193
   85    HB   VAL  12           HB       VAL  12   2.617 -15.353   1.204
   86   HG11  VAL  12          HG11      VAL  12   4.176 -14.928  -0.944
   87   HG12  VAL  12          HG12      VAL  12   4.783 -15.539   0.595
   88   HG13  VAL  12          HG13      VAL  12   4.933 -13.826   0.206
   89   HG21  VAL  12          HG21      VAL  12   2.235 -12.681   1.728
   90   HG22  VAL  12          HG22      VAL  12   3.992 -12.832   1.702
   91   HG23  VAL  12          HG23      VAL  12   3.036 -13.836   2.792
   92    H    GLU  13           H        GLU  13   0.032 -12.337  -0.073
   93    HA   GLU  13           HA       GLU  13  -1.966 -14.326   0.718
   94    HB2  GLU  13           HB2      GLU  13  -1.482 -11.756   2.241
   95    HB3  GLU  13           HB3      GLU  13  -2.743 -12.931   2.569
   96    HG2  GLU  13           HG2      GLU  13  -1.393 -14.168   3.810
   97    HG3  GLU  13           HG3      GLU  13  -0.131 -14.158   2.584
   98    H    GLU  14           H        GLU  14  -4.188 -13.232   0.861
   99    HA   GLU  14           HA       GLU  14  -4.554 -11.693  -1.573
  100    HB2  GLU  14           HB2      GLU  14  -6.708 -12.553   0.349
  101    HB3  GLU  14           HB3      GLU  14  -6.874 -12.158  -1.353
  102    HG2  GLU  14           HG2      GLU  14  -5.581 -14.591  -0.156
  103    HG3  GLU  14           HG3      GLU  14  -7.052 -14.514  -1.125
  104    H    PHE  15           H        PHE  15  -4.842  -9.553  -1.633
  105    HA   PHE  15           HA       PHE  15  -5.295  -8.169   0.924
  106    HB2  PHE  15           HB2      PHE  15  -4.000  -6.340   0.141
  107    HB3  PHE  15           HB3      PHE  15  -3.083  -7.794  -0.234
  108    HD1  PHE  15           HD1      PHE  15  -5.122  -5.081  -1.633
  109    HD2  PHE  15           HD2      PHE  15  -2.637  -8.427  -2.492
  110    HE1  PHE  15           HE1      PHE  15  -4.984  -4.369  -3.983
  111    HE2  PHE  15           HE2      PHE  15  -2.493  -7.720  -4.846
  112    HZ   PHE  15           HZ       PHE  15  -3.668  -5.689  -5.592
  113    H    VAL  16           H        VAL  16  -6.482  -6.188   0.891
  114    HA   VAL  16           HA       VAL  16  -8.321  -5.879  -1.368
  115    HB   VAL  16           HB       VAL  16 -10.126  -5.378   0.401
  116   HG11  VAL  16          HG11      VAL  16  -9.592  -8.272   0.494
  117   HG12  VAL  16          HG12      VAL  16  -9.606  -7.550  -1.115
  118   HG13  VAL  16          HG13      VAL  16 -11.016  -7.396  -0.067
  119   HG21  VAL  16          HG21      VAL  16  -8.315  -7.128   2.062
  120   HG22  VAL  16          HG22      VAL  16  -9.916  -6.541   2.511
  121   HG23  VAL  16          HG23      VAL  16  -8.580  -5.404   2.326
  122    H    VAL  17           H        VAL  17  -8.259  -3.838  -2.053
  123    HA   VAL  17           HA       VAL  17  -6.875  -1.786  -0.757
  124    HB   VAL  17           HB       VAL  17  -9.077  -1.402  -2.788
  125   HG11  VAL  17          HG11      VAL  17  -7.001   0.332  -1.601
  126   HG12  VAL  17          HG12      VAL  17  -8.596   0.741  -2.236
  127   HG13  VAL  17          HG13      VAL  17  -7.246   0.482  -3.341
  128   HG21  VAL  17          HG21      VAL  17  -7.766  -2.183  -4.424
  129   HG22  VAL  17          HG22      VAL  17  -6.843  -2.962  -3.140
  130   HG23  VAL  17          HG23      VAL  17  -6.329  -1.398  -3.770
  131    H    ALA  18           H        ALA  18  -7.536  -1.470   1.347
  132    HA   ALA  18           HA       ALA  18 -10.314  -0.915   1.950
  133    HB1  ALA  18           HB1      ALA  18  -7.839  -0.895   3.673
  134    HB2  ALA  18           HB2      ALA  18  -9.067  -2.158   3.584
  135    HB3  ALA  18           HB3      ALA  18  -9.470  -0.583   4.267
  136    H    GLU  19           H        GLU  19  -7.357   0.820   1.380
  137    HA   GLU  19           HA       GLU  19  -8.839   3.346   1.530
  138    HB2  GLU  19           HB2      GLU  19  -6.020   3.038   2.566
  139    HB3  GLU  19           HB3      GLU  19  -7.050   4.457   2.681
  140    HG2  GLU  19           HG2      GLU  19  -8.517   2.468   3.920
  141    HG3  GLU  19           HG3      GLU  19  -6.856   2.154   4.421
  142    H    GLU  20           H        GLU  20  -8.777   4.208  -0.445
  143    HA   GLU  20           HA       GLU  20  -7.234   3.407  -2.572
  144    HB2  GLU  20           HB2      GLU  20  -8.358   6.156  -2.019
  145    HB3  GLU  20           HB3      GLU  20  -7.731   5.637  -3.577
  146    HG2  GLU  20           HG2      GLU  20  -9.441   3.836  -3.598
  147    HG3  GLU  20           HG3      GLU  20 -10.116   4.527  -2.123
  148    H    CYS  21           H        CYS  21  -5.476   4.544  -3.718
  149    HA   CYS  21           HA       CYS  21  -3.399   5.217  -1.823
  150    HB2  CYS  21           HB2      CYS  21  -1.851   5.004  -3.646
  151    HB3  CYS  21           HB3      CYS  21  -2.958   3.647  -3.688
  152    H    SER  22           H        SER  22  -2.297   7.113  -1.678
  153    HA   SER  22           HA       SER  22  -3.230   9.360  -3.317
  154    HB2  SER  22           HB2      SER  22  -3.433   9.057  -0.374
  155    HB3  SER  22           HB3      SER  22  -2.899  10.631  -0.963
  156    HG   SER  22           HG       SER  22  -5.350   9.333  -1.301
  157    HA   PRO  23           HA       PRO  23   0.813  10.951  -3.897
  158    HB2  PRO  23           HB2      PRO  23   0.093  13.198  -2.054
  159    HB3  PRO  23           HB3      PRO  23   0.868  13.252  -3.643
  160    HG2  PRO  23           HG2      PRO  23  -1.713  13.838  -3.380
  161    HG3  PRO  23           HG3      PRO  23  -1.128  12.914  -4.777
  162    HD2  PRO  23           HD2      PRO  23  -2.663  11.992  -2.407
  163    HD3  PRO  23           HD3      PRO  23  -2.660  11.365  -4.065
  164    H    CYS  24           H        CYS  24   2.849  11.296  -2.878
  165    HA   CYS  24           HA       CYS  24   2.948  10.330  -0.095
  166    HB2  CYS  24           HB2      CYS  24   5.005  10.012  -2.290
  167    HB3  CYS  24           HB3      CYS  24   5.153   9.395  -0.650
  168    H    SER  25           H        SER  25   3.558  11.809   1.330
  169    HA   SER  25           HA       SER  25   4.454  14.372   0.711
  170    HB2  SER  25           HB2      SER  25   4.727  14.706   3.033
  171    HB3  SER  25           HB3      SER  25   3.451  13.496   2.910
  172    HG   SER  25           HG       SER  25   4.686  12.337   4.142
  173    H    ASN  26           H        ASN  26   6.619  15.064   2.119
  174    HA   ASN  26           HA       ASN  26   8.761  14.326   0.443
  175    HB2  ASN  26           HB2      ASN  26   8.554  15.873   3.008
  176    HB3  ASN  26           HB3      ASN  26  10.133  15.485   2.331
  177   HD21  ASN  26          HD21      ASN  26   7.020  16.936   1.494
  178   HD22  ASN  26          HD22      ASN  26   7.662  18.108   0.401
  179    H    PHE  27           H        PHE  27   7.630  13.095   3.505
  180    HA   PHE  27           HA       PHE  27  10.012  11.442   3.836
  181    HB2  PHE  27           HB2      PHE  27   8.408  12.694   5.662
  182    HB3  PHE  27           HB3      PHE  27   7.769  11.054   5.705
  183    HD1  PHE  27           HD1      PHE  27  10.051   9.357   5.395
  184    HD2  PHE  27           HD2      PHE  27   9.721  13.035   7.511
  185    HE1  PHE  27           HE1      PHE  27  11.905   8.675   6.863
  186    HE2  PHE  27           HE2      PHE  27  11.575  12.358   8.982
  187    HZ   PHE  27           HZ       PHE  27  12.668  10.176   8.660
  188    H    ARG  28           H        ARG  28   6.635  11.194   2.962
  189    HA   ARG  28           HA       ARG  28   6.286   8.431   3.207
  190    HB2  ARG  28           HB2      ARG  28   4.475  10.096   2.789
  191    HB3  ARG  28           HB3      ARG  28   5.034  10.226   1.127
  192    HG2  ARG  28           HG2      ARG  28   3.588   8.608   0.657
  193    HG3  ARG  28           HG3      ARG  28   4.704   7.513   1.474
  194    HD2  ARG  28           HD2      ARG  28   2.336   8.933   2.683
  195    HD3  ARG  28           HD3      ARG  28   2.490   7.206   2.370
  196    HE   ARG  28           HE       ARG  28   3.592   8.679   4.587
  197   HH11  ARG  28          HH11      ARG  28   3.822   5.776   2.663
  198   HH12  ARG  28          HH12      ARG  28   4.618   4.867   3.904
  199   HH21  ARG  28          HH21      ARG  28   4.639   7.485   6.219
  200   HH22  ARG  28          HH22      ARG  28   5.080   5.838   5.923
  201    H    ALA  29           H        ALA  29   6.973  10.254   0.216
  202    HA   ALA  29           HA       ALA  29   7.510   7.989  -1.357
  203    HB1  ALA  29           HB1      ALA  29   8.881  10.523  -2.037
  204    HB2  ALA  29           HB2      ALA  29   7.121  10.562  -1.932
  205    HB3  ALA  29           HB3      ALA  29   7.914   9.448  -3.046
  206    H    LYS  30           H        LYS  30   9.482   9.760   0.883
  207    HA   LYS  30           HA       LYS  30  12.034   9.109  -0.033
  208    HB2  LYS  30           HB2      LYS  30  10.856   9.897   2.572
  209    HB3  LYS  30           HB3      LYS  30  12.445   9.146   2.622
  210    HG2  LYS  30           HG2      LYS  30  12.012  11.351   0.684
  211    HG3  LYS  30           HG3      LYS  30  12.137  11.756   2.397
  212    HD2  LYS  30           HD2      LYS  30  14.349  11.799   1.987
  213    HD3  LYS  30           HD3      LYS  30  14.223  10.043   2.113
  214    HE2  LYS  30           HE2      LYS  30  13.589  11.121  -0.539
  215    HE3  LYS  30           HE3      LYS  30  15.252  11.393  -0.022
  216    HZ1  LYS  30           HZ1      LYS  30  13.907   8.914  -0.703
  217    HZ2  LYS  30           HZ2      LYS  30  14.939   8.834   0.635
  218    HZ3  LYS  30           HZ3      LYS  30  15.535   9.344  -0.864
  219    H    THR  31           H        THR  31  10.211   7.463   2.557
  220    HA   THR  31           HA       THR  31  11.969   5.169   2.381
  221    HB   THR  31           HB       THR  31  11.169   5.987   4.569
  222    HG1  THR  31           HG1      THR  31  11.318   4.009   5.204
  223   HG21  THR  31          HG21      THR  31   8.944   5.734   5.317
  224   HG22  THR  31          HG22      THR  31   8.464   4.918   3.829
  225   HG23  THR  31          HG23      THR  31   8.874   6.633   3.803
  226    H    THR  32           H        THR  32   8.543   5.882   1.803
  227    HA   THR  32           HA       THR  32   7.801   3.277   1.025
  228    HB   THR  32           HB       THR  32   6.488   5.785   0.006
  229    HG1  THR  32           HG1      THR  32   6.532   6.272   2.090
  230   HG21  THR  32          HG21      THR  32   5.522   3.031   0.666
  231   HG22  THR  32          HG22      THR  32   5.358   3.933  -0.840
  232   HG23  THR  32          HG23      THR  32   4.427   4.410   0.579
  233    HA   PRO  33           HA       PRO  33   9.888   3.501  -2.975
  234    HB2  PRO  33           HB2      PRO  33   9.825   0.877  -3.525
  235    HB3  PRO  33           HB3      PRO  33  10.937   1.546  -2.325
  236    HG2  PRO  33           HG2      PRO  33   8.326   0.144  -1.913
  237    HG3  PRO  33           HG3      PRO  33   9.847  -0.039  -1.020
  238    HD2  PRO  33           HD2      PRO  33   7.733   1.476  -0.149
  239    HD3  PRO  33           HD3      PRO  33   9.420   1.772   0.313
  240    H    GLU  34           H        GLU  34   6.702   2.487  -2.198
  241    HA   GLU  34           HA       GLU  34   5.849   1.742  -4.811
  242    HB2  GLU  34           HB2      GLU  34   4.586   2.207  -2.182
  243    HB3  GLU  34           HB3      GLU  34   3.546   2.457  -3.578
  244    HG2  GLU  34           HG2      GLU  34   3.155   0.257  -3.236
  245    HG3  GLU  34           HG3      GLU  34   4.564   0.118  -4.286
  246    H    CYS  35           H        CYS  35   6.713   4.719  -3.559
  247    HA   CYS  35           HA       CYS  35   4.792   6.241  -5.140
  248    HB2  CYS  35           HB2      CYS  35   7.045   7.358  -3.479
  249    HB3  CYS  35           HB3      CYS  35   5.568   8.167  -3.996
  250    H    GLY  36           H        GLY  36   6.932   4.540  -6.353
  251    HA2  GLY  36           HA2      GLY  36   8.691   6.528  -7.568
  252    HA3  GLY  36           HA3      GLY  36   8.821   4.786  -7.738
  253    HA   PRO  37           HA       PRO  37   6.448   5.017 -11.466
  254    HB2  PRO  37           HB2      PRO  37   4.493   3.192 -11.348
  255    HB3  PRO  37           HB3      PRO  37   6.198   2.730 -11.290
  256    HG2  PRO  37           HG2      PRO  37   4.203   2.901  -9.084
  257    HG3  PRO  37           HG3      PRO  37   5.525   1.746  -9.318
  258    HD2  PRO  37           HD2      PRO  37   5.581   3.982  -7.645
  259    HD3  PRO  37           HD3      PRO  37   6.994   3.064  -8.196
  260    H    THR  38           H        THR  38   3.951   4.857  -8.908
  261    HA   THR  38           HA       THR  38   2.292   6.683 -10.496
  262    HB   THR  38           HB       THR  38   0.986   4.835  -9.878
  263    HG1  THR  38           HG1      THR  38  -0.546   5.931  -8.984
  264   HG21  THR  38          HG21      THR  38   2.161   5.017  -7.119
  265   HG22  THR  38          HG22      THR  38   2.414   3.734  -8.303
  266   HG23  THR  38          HG23      THR  38   0.822   3.966  -7.580
  267    H    GLY  39           H        GLY  39   3.808   6.332  -7.333
  268    HA2  GLY  39           HA2      GLY  39   4.539   8.069  -5.944
  269    HA3  GLY  39           HA3      GLY  39   3.670   9.214  -6.960
  270    H    TYR  40           H        TYR  40   1.487   6.905  -6.533
  271    HA   TYR  40           HA       TYR  40   0.333   8.151  -4.133
  272    HB2  TYR  40           HB2      TYR  40  -0.942   6.863  -6.552
  273    HB3  TYR  40           HB3      TYR  40  -1.842   7.260  -5.097
  274    HD1  TYR  40           HD1      TYR  40   0.707   9.080  -7.151
  275    HD2  TYR  40           HD2      TYR  40  -3.181   9.104  -5.425
  276    HE1  TYR  40           HE1      TYR  40   0.349  11.355  -8.006
  277    HE2  TYR  40           HE2      TYR  40  -3.551  11.379  -6.279
  278    HH   TYR  40           HH       TYR  40  -2.513  12.761  -8.347
  279    H    VAL  41           H        VAL  41   0.159   6.871  -2.365
  280    HA   VAL  41           HA       VAL  41   0.328   3.958  -2.790
  281    HB   VAL  41           HB       VAL  41   1.338   3.757  -0.583
  282   HG11  VAL  41          HG11      VAL  41   2.672   5.650  -2.501
  283   HG12  VAL  41          HG12      VAL  41   2.884   3.904  -2.364
  284   HG13  VAL  41          HG13      VAL  41   3.494   4.970  -1.098
  285   HG21  VAL  41          HG21      VAL  41   0.890   6.715  -0.510
  286   HG22  VAL  41          HG22      VAL  41   2.203   5.988   0.416
  287   HG23  VAL  41          HG23      VAL  41   0.535   5.500   0.719
  288    H    GLU  42           H        GLU  42  -1.208   2.692  -2.044
  289    HA   GLU  42           HA       GLU  42  -3.417   3.884  -0.523
  290    HB2  GLU  42           HB2      GLU  42  -4.565   1.682  -1.255
  291    HB3  GLU  42           HB3      GLU  42  -4.293   2.922  -2.465
  292    HG2  GLU  42           HG2      GLU  42  -2.887   1.649  -3.641
  293    HG3  GLU  42           HG3      GLU  42  -2.106   1.010  -2.200
  294    H    LYS  43           H        LYS  43  -4.621   2.039   0.786
  295    HA   LYS  43           HA       LYS  43  -2.594   0.688   2.442
  296    HB2  LYS  43           HB2      LYS  43  -4.183   2.718   3.296
  297    HB3  LYS  43           HB3      LYS  43  -5.183   1.331   3.700
  298    HG2  LYS  43           HG2      LYS  43  -3.722   0.554   5.273
  299    HG3  LYS  43           HG3      LYS  43  -2.319   1.283   4.488
  300    HD2  LYS  43           HD2      LYS  43  -2.474   2.783   6.162
  301    HD3  LYS  43           HD3      LYS  43  -3.729   3.496   5.147
  302    HE2  LYS  43           HE2      LYS  43  -4.654   3.317   7.316
  303    HE3  LYS  43           HE3      LYS  43  -5.378   2.023   6.361
  304    HZ1  LYS  43           HZ1      LYS  43  -4.796   0.958   8.302
  305    HZ2  LYS  43           HZ2      LYS  43  -3.365   1.839   8.502
  306    HZ3  LYS  43           HZ3      LYS  43  -3.455   0.626   7.326
  307    H    ILE  44           H        ILE  44  -2.757  -1.272   1.382
  308    HA   ILE  44           HA       ILE  44  -5.365  -2.562   1.183
  309    HB   ILE  44           HB       ILE  44  -4.182  -4.355  -0.008
  310   HG12  ILE  44          HG12      ILE  44  -1.730  -3.700  -0.669
  311   HG13  ILE  44          HG13      ILE  44  -1.775  -2.768   0.822
  312   HG21  ILE  44          HG21      ILE  44  -4.181  -3.223  -1.958
  313   HG22  ILE  44          HG22      ILE  44  -3.101  -1.967  -1.353
  314   HG23  ILE  44          HG23      ILE  44  -4.818  -1.922  -0.953
  315   HD11  ILE  44          HD11      ILE  44  -2.755  -5.420   1.288
  316   HD12  ILE  44          HD12      ILE  44  -1.393  -4.578   2.024
  317   HD13  ILE  44          HD13      ILE  44  -1.168  -5.469   0.520
  318    H    THR  45           H        THR  45  -6.022  -4.265   2.396
  319    HA   THR  45           HA       THR  45  -4.240  -5.087   4.592
  320    HB   THR  45           HB       THR  45  -7.247  -5.329   4.553
  321    HG1  THR  45           HG1      THR  45  -5.727  -3.244   5.724
  322   HG21  THR  45          HG21      THR  45  -5.160  -5.570   6.675
  323   HG22  THR  45          HG22      THR  45  -6.498  -6.652   6.292
  324   HG23  THR  45          HG23      THR  45  -6.814  -5.105   7.077
  325    H    CYS  46           H        CYS  46  -3.797  -7.214   4.915
  326    HA   CYS  46           HA       CYS  46  -4.689  -9.048   2.832
  327    HB2  CYS  46           HB2      CYS  46  -2.504  -9.254   4.908
  328    HB3  CYS  46           HB3      CYS  46  -2.941 -10.571   3.834
  329    H    SER  47           H        SER  47  -6.331 -10.363   3.148
  330    HA   SER  47           HA       SER  47  -7.796 -10.638   5.475
  331    HB2  SER  47           HB2      SER  47  -8.757 -11.322   3.382
  332    HB3  SER  47           HB3      SER  47  -7.491 -12.522   3.128
  333    HG   SER  47           HG       SER  47  -8.316 -13.691   4.877
  334    H    SER  48           H        SER  48  -4.891 -12.240   4.472
  335    HA   SER  48           HA       SER  48  -5.053 -14.246   6.559
  336    HB2  SER  48           HB2      SER  48  -3.516 -13.872   4.124
  337    HB3  SER  48           HB3      SER  48  -2.472 -14.296   5.482
  338    HG   SER  48           HG       SER  48  -3.267 -16.240   5.459
  339    H    SER  49           H        SER  49  -4.821 -13.412   8.510
  340    HA   SER  49           HA       SER  49  -3.689 -12.710  10.368
  341    HB2  SER  49           HB2      SER  49  -1.542 -12.673   8.387
  342    HB3  SER  49           HB3      SER  49  -1.371 -11.397   9.588
  343    HG   SER  49           HG       SER  49  -0.876 -14.002   9.850
  344    H    LYS  50           H        LYS  50  -5.137 -10.984   8.123
  345    HA   LYS  50           HA       LYS  50  -5.691  -8.782   7.781
  346    HB2  LYS  50           HB2      LYS  50  -5.973  -9.451  10.623
  347    HB3  LYS  50           HB3      LYS  50  -5.873  -7.724  10.313
  348    HG2  LYS  50           HG2      LYS  50  -7.761  -9.478   8.786
  349    HG3  LYS  50           HG3      LYS  50  -8.185  -8.810  10.363
  350    HD2  LYS  50           HD2      LYS  50  -7.493  -6.545   9.348
  351    HD3  LYS  50           HD3      LYS  50  -7.625  -7.368   7.793
  352    HE2  LYS  50           HE2      LYS  50  -9.884  -7.505   7.905
  353    HE3  LYS  50           HE3      LYS  50  -9.891  -7.711   9.656
  354    HZ1  LYS  50           HZ1      LYS  50 -10.814  -5.551   8.706
  355    HZ2  LYS  50           HZ2      LYS  50  -9.204  -5.117   8.421
  356    HZ3  LYS  50           HZ3      LYS  50  -9.730  -5.429   9.998
  357    H    ARG  51           H        ARG  51  -3.506  -8.422   6.875
  358    HA   ARG  51           HA       ARG  51  -1.931  -6.614   8.576
  359    HB2  ARG  51           HB2      ARG  51  -1.141  -8.919   7.158
  360    HB3  ARG  51           HB3      ARG  51  -0.431  -7.554   6.321
  361    HG2  ARG  51           HG2      ARG  51   0.497  -6.784   8.497
  362    HG3  ARG  51           HG3      ARG  51  -0.100  -8.280   9.220
  363    HD2  ARG  51           HD2      ARG  51   1.346  -9.606   7.915
  364    HD3  ARG  51           HD3      ARG  51   1.716  -8.271   6.825
  365    HE   ARG  51           HE       ARG  51   2.616  -7.386   9.217
  366   HH11  ARG  51          HH11      ARG  51   3.153 -10.314   7.399
  367   HH12  ARG  51          HH12      ARG  51   4.753 -10.554   8.017
  368   HH21  ARG  51          HH21      ARG  51   4.719  -7.698  10.032
  369   HH22  ARG  51          HH22      ARG  51   5.642  -9.068   9.513
  370    H    ASN  52           H        ASN  52  -2.009  -4.571   8.025
  371    HA   ASN  52           HA       ASN  52  -2.938  -3.812   5.370
  372    HB2  ASN  52           HB2      ASN  52  -3.129  -1.542   6.313
  373    HB3  ASN  52           HB3      ASN  52  -3.999  -2.727   7.286
  374   HD21  ASN  52          HD21      ASN  52  -3.139  -3.353   9.292
  375   HD22  ASN  52          HD22      ASN  52  -1.993  -2.364  10.126
  376    H    GLU  53           H        GLU  53  -1.343  -3.850   3.901
  377    HA   GLU  53           HA       GLU  53   1.275  -2.747   4.621
  378    HB2  GLU  53           HB2      GLU  53   0.351  -4.836   2.825
  379    HB3  GLU  53           HB3      GLU  53   1.428  -3.712   2.010
  380    HG2  GLU  53           HG2      GLU  53   2.001  -5.321   4.485
  381    HG3  GLU  53           HG3      GLU  53   2.717  -5.520   2.887
  382    H    PHE  54           H        PHE  54   2.380  -1.445   2.907
  383    HA   PHE  54           HA       PHE  54   0.497   0.554   1.883
  384    HB2  PHE  54           HB2      PHE  54   3.333   0.611   2.778
  385    HB3  PHE  54           HB3      PHE  54   2.873   1.732   1.500
  386    HD1  PHE  54           HD1      PHE  54   1.386   0.530   4.711
  387    HD2  PHE  54           HD2      PHE  54   2.383   3.840   2.228
  388    HE1  PHE  54           HE1      PHE  54   0.467   2.068   6.399
  389    HE2  PHE  54           HE2      PHE  54   1.466   5.383   3.912
  390    HZ   PHE  54           HZ       PHE  54   0.507   4.498   5.999
  391    H    LYS  55           H        LYS  55  -0.170  -0.030  -0.098
  392    HA   LYS  55           HA       LYS  55   1.846  -0.892  -2.058
  393    HB2  LYS  55           HB2      LYS  55  -0.848  -1.739  -1.482
  394    HB3  LYS  55           HB3      LYS  55  -0.733  -1.199  -3.151
  395    HG2  LYS  55           HG2      LYS  55   1.472  -2.727  -3.010
  396    HG3  LYS  55           HG3      LYS  55   0.450  -3.550  -1.831
  397    HD2  LYS  55           HD2      LYS  55  -0.431  -4.613  -3.593
  398    HD3  LYS  55           HD3      LYS  55  -1.279  -3.100  -3.917
  399    HE2  LYS  55           HE2      LYS  55   1.482  -3.304  -4.945
  400    HE3  LYS  55           HE3      LYS  55   0.284  -4.343  -5.715
  401    HZ1  LYS  55           HZ1      LYS  55  -0.813  -2.587  -6.596
  402    HZ2  LYS  55           HZ2      LYS  55   0.719  -1.874  -6.502
  403    HZ3  LYS  55           HZ3      LYS  55  -0.440  -1.545  -5.316
  404    H    SER  56           H        SER  56   1.038  -0.251  -4.404
  405    HA   SER  56           HA       SER  56   0.392   2.626  -4.349
  406    HB2  SER  56           HB2      SER  56   1.762   2.294  -6.703
  407    HB3  SER  56           HB3      SER  56   2.477   2.873  -5.199
  408    HG   SER  56           HG       SER  56   2.360   0.151  -5.995
  409    H    CYS  57           H        CYS  57  -1.175   3.347  -5.732
  410    HA   CYS  57           HA       CYS  57  -2.200   1.430  -7.713
  411    HB2  CYS  57           HB2      CYS  57  -4.377   1.534  -6.993
  412    HB3  CYS  57           HB3      CYS  57  -3.546   1.686  -5.458
  413    H    ARG  58           H        ARG  58  -4.060   2.733  -9.007
  414    HA   ARG  58           HA       ARG  58  -2.636   5.056 -10.080
  415    HB2  ARG  58           HB2      ARG  58  -5.049   3.927 -11.421
  416    HB3  ARG  58           HB3      ARG  58  -3.598   4.626 -12.124
  417    HG2  ARG  58           HG2      ARG  58  -2.347   2.629 -11.686
  418    HG3  ARG  58           HG3      ARG  58  -3.698   1.931 -10.789
  419    HD2  ARG  58           HD2      ARG  58  -5.006   1.705 -12.742
  420    HD3  ARG  58           HD3      ARG  58  -3.928   2.743 -13.674
  421    HE   ARG  58           HE       ARG  58  -2.569   0.938 -14.057
  422   HH11  ARG  58          HH11      ARG  58  -4.803   0.155 -11.492
  423   HH12  ARG  58          HH12      ARG  58  -4.363  -1.518 -11.449
  424   HH21  ARG  58          HH21      ARG  58  -1.990  -1.264 -14.003
  425   HH22  ARG  58          HH22      ARG  58  -2.767  -2.326 -12.875
  426    H    SER  59           H        SER  59  -3.311   7.039  -9.634
  427    HA   SER  59           HA       SER  59  -5.869   7.417  -8.314
  428    HB2  SER  59           HB2      SER  59  -3.351   8.640  -8.109
  429    HB3  SER  59           HB3      SER  59  -4.412   9.870  -8.793
  430    HG   SER  59           HG       SER  59  -5.070   8.334  -6.503
  431    H    ALA  60           H        ALA  60  -4.405   7.958 -11.406
  432    HA   ALA  60           HA       ALA  60  -6.007  10.000 -12.420
  433    HB1  ALA  60           HB1      ALA  60  -5.462   9.025 -14.655
  434    HB2  ALA  60           HB2      ALA  60  -4.693   7.679 -13.816
  435    HB3  ALA  60           HB3      ALA  60  -4.064   9.315 -13.620
  436    H    LEU  61           H        LEU  61  -6.811   6.735 -11.682
  437    HA   LEU  61           HA       LEU  61  -9.325   6.979 -13.194
  438    HB2  LEU  61           HB2      LEU  61  -7.867   4.531 -12.199
  439    HB3  LEU  61           HB3      LEU  61  -9.467   4.495 -12.916
  440    HG   LEU  61           HG       LEU  61  -7.283   5.757 -14.493
  441   HD11  LEU  61          HD11      LEU  61  -6.194   3.758 -13.675
  442   HD12  LEU  61          HD12      LEU  61  -6.612   3.563 -15.377
  443   HD13  LEU  61          HD13      LEU  61  -7.589   2.780 -14.135
  444   HD21  LEU  61          HD21      LEU  61  -9.881   5.299 -14.990
  445   HD22  LEU  61          HD22      LEU  61  -9.189   3.804 -15.617
  446   HD23  LEU  61          HD23      LEU  61  -8.647   5.358 -16.249
  447    H    MET  62           H        MET  62  -7.894   6.462 -10.057
  448    HA   MET  62           HA       MET  62 -10.244   5.638  -8.710
  449    HB2  MET  62           HB2      MET  62  -7.691   6.904  -7.718
  450    HB3  MET  62           HB3      MET  62  -8.979   6.368  -6.647
  451    HG2  MET  62           HG2      MET  62  -7.805   4.473  -8.630
  452    HG3  MET  62           HG3      MET  62  -6.956   4.819  -7.125
  453    HE1  MET  62           HE1      MET  62  -9.875   1.613  -7.671
  454    HE2  MET  62           HE2      MET  62  -8.192   1.850  -8.143
  455    HE3  MET  62           HE3      MET  62  -9.467   2.789  -8.921
  456    H    GLU  63           H        GLU  63  -8.549   8.777  -8.634
  457    HA   GLU  63           HA       GLU  63 -11.067  10.193  -8.711
  458    HB2  GLU  63           HB2      GLU  63  -9.492   9.874  -6.221
  459    HB3  GLU  63           HB3      GLU  63 -10.069  11.498  -6.570
  460    HG2  GLU  63           HG2      GLU  63 -12.108   9.445  -6.915
  461    HG3  GLU  63           HG3      GLU  63 -11.473   9.543  -5.274
  462    H    GLN  64           H        GLN  64 -10.255  11.106 -10.603
  463    HA   GLN  64           HA       GLN  64  -8.165  13.127 -10.169
  464    HB2  GLN  64           HB2      GLN  64  -7.642  10.922 -11.604
  465    HB3  GLN  64           HB3      GLN  64  -8.368  11.905 -12.868
  466    HG2  GLN  64           HG2      GLN  64  -6.649  13.680 -11.772
  467    HG3  GLN  64           HG3      GLN  64  -5.777  12.168 -11.522
  468   HE21  GLN  64          HE21      GLN  64  -4.208  13.007 -13.000
  469   HE22  GLN  64          HE22      GLN  64  -4.476  12.902 -14.704
  470    H    ARG  65           H        ARG  65 -10.032  14.519  -9.835
  471    HA   ARG  65           HA       ARG  65 -11.493  16.130 -10.500
  472    HB2  ARG  65           HB2      ARG  65 -10.186  15.754 -13.200
  473    HB3  ARG  65           HB3      ARG  65 -11.152  17.136 -12.703
  474    HG2  ARG  65           HG2      ARG  65  -9.298  17.161 -10.763
  475    HG3  ARG  65           HG3      ARG  65  -8.356  16.450 -12.076
  476    HD2  ARG  65           HD2      ARG  65  -8.003  18.735 -12.337
  477    HD3  ARG  65           HD3      ARG  65  -9.282  18.384 -13.500
  478    HE   ARG  65           HE       ARG  65 -10.617  19.817 -12.345
  479   HH11  ARG  65          HH11      ARG  65  -8.131  18.676 -10.178
  480   HH12  ARG  65          HH12      ARG  65  -8.639  19.683  -8.865
  481   HH21  ARG  65          HH21      ARG  65 -11.286  21.143 -10.618
  482   HH22  ARG  65          HH22      ARG  65 -10.431  21.083  -9.114
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  24.958 -16.398   5.866
    2    H2   GLY   1           H2       GLY   1  25.747 -15.712   4.536
    3    H3   GLY   1           H3       GLY   1  24.279 -16.522   4.321
    4    HA2  GLY   1           HA2      GLY   1  23.035 -14.787   4.959
    5    HA3  GLY   1           HA3      GLY   1  24.177 -14.347   6.220
    6    H    SER   2           H        SER   2  23.378 -14.034   2.825
    7    HA   SER   2           HA       SER   2  25.386 -11.902   2.561
    8    HB2  SER   2           HB2      SER   2  25.175 -13.947   0.919
    9    HB3  SER   2           HB3      SER   2  23.863 -12.994   0.224
   10    HG   SER   2           HG       SER   2  26.460 -12.721  -0.179
   11    H    GLY   3           H        GLY   3  22.844 -11.575   3.946
   12    HA2  GLY   3           HA2      GLY   3  21.927  -9.228   3.767
   13    HA3  GLY   3           HA3      GLY   3  21.502  -9.679   2.123
   14    H    MET   4           H        MET   4  19.829  -8.817   4.418
   15    HA   MET   4           HA       MET   4  18.318 -11.138   5.203
   16    HB2  MET   4           HB2      MET   4  18.653  -8.945   6.525
   17    HB3  MET   4           HB3      MET   4  17.389  -8.293   5.491
   18    HG2  MET   4           HG2      MET   4  15.759  -9.456   6.515
   19    HG3  MET   4           HG3      MET   4  16.782 -10.866   6.783
   20    HE1  MET   4           HE1      MET   4  15.307 -10.955   9.029
   21    HE2  MET   4           HE2      MET   4  16.226 -10.527  10.472
   22    HE3  MET   4           HE3      MET   4  16.942 -11.579   9.252
   23    H    LYS   5           H        LYS   5  15.880 -11.099   4.897
   24    HA   LYS   5           HA       LYS   5  15.152 -10.125   2.221
   25    HB2  LYS   5           HB2      LYS   5  14.037 -12.230   1.718
   26    HB3  LYS   5           HB3      LYS   5  15.741 -12.506   2.048
   27    HG2  LYS   5           HG2      LYS   5  14.897 -12.980   4.472
   28    HG3  LYS   5           HG3      LYS   5  13.351 -13.250   3.663
   29    HD2  LYS   5           HD2      LYS   5  14.324 -14.957   2.270
   30    HD3  LYS   5           HD3      LYS   5  15.934 -14.613   2.905
   31    HE2  LYS   5           HE2      LYS   5  15.480 -16.333   4.285
   32    HE3  LYS   5           HE3      LYS   5  14.595 -15.111   5.198
   33    HZ1  LYS   5           HZ1      LYS   5  12.652 -15.798   3.669
   34    HZ2  LYS   5           HZ2      LYS   5  13.058 -16.792   4.977
   35    HZ3  LYS   5           HZ3      LYS   5  13.551 -17.208   3.414
   36    H    GLU   6           H        GLU   6  13.531  -8.749   2.491
   37    HA   GLU   6           HA       GLU   6  11.418  -9.436   4.427
   38    HB2  GLU   6           HB2      GLU   6  12.696  -6.778   3.835
   39    HB3  GLU   6           HB3      GLU   6  11.090  -6.881   4.544
   40    HG2  GLU   6           HG2      GLU   6  12.409  -8.517   6.202
   41    HG3  GLU   6           HG3      GLU   6  13.729  -7.448   5.728
   42    H    PHE   7           H        PHE   7   9.415  -9.550   3.635
   43    HA   PHE   7           HA       PHE   7   8.844  -8.250   1.057
   44    HB2  PHE   7           HB2      PHE   7   7.457 -10.813   1.597
   45    HB3  PHE   7           HB3      PHE   7   8.051 -10.152   0.079
   46    HD1  PHE   7           HD1      PHE   7  10.823  -9.867   0.284
   47    HD2  PHE   7           HD2      PHE   7   8.373 -12.846   2.080
   48    HE1  PHE   7           HE1      PHE   7  12.751 -11.393   0.376
   49    HE2  PHE   7           HE2      PHE   7  10.296 -14.377   2.177
   50    HZ   PHE   7           HZ       PHE   7  12.489 -13.650   1.323
   51    HA   PRO   8           HA       PRO   8   5.040  -7.008   2.952
   52    HB2  PRO   8           HB2      PRO   8   3.314  -6.894   0.929
   53    HB3  PRO   8           HB3      PRO   8   4.770  -5.890   0.924
   54    HG2  PRO   8           HG2      PRO   8   4.227  -8.448  -0.528
   55    HG3  PRO   8           HG3      PRO   8   5.043  -6.986  -1.107
   56    HD2  PRO   8           HD2      PRO   8   6.328  -9.260  -0.179
   57    HD3  PRO   8           HD3      PRO   8   7.055  -7.644  -0.257
   58    H    CYS   9           H        CYS   9   2.435  -7.563   2.562
   59    HA   CYS   9           HA       CYS   9   2.253 -10.396   3.309
   60    HB2  CYS   9           HB2      CYS   9   0.209  -9.845   4.474
   61    HB3  CYS   9           HB3      CYS   9   1.470  -8.727   4.978
   62    H    TRP  10           H        TRP  10   1.095  -8.004   1.055
   63    HA   TRP  10           HA       TRP  10  -1.057  -9.528   0.005
   64    HB2  TRP  10           HB2      TRP  10  -0.802  -7.937  -1.977
   65    HB3  TRP  10           HB3      TRP  10  -1.167  -7.220  -0.417
   66    HD1  TRP  10           HD1      TRP  10   0.727  -5.721   0.726
   67    HE1  TRP  10           HE1      TRP  10   2.812  -4.564  -0.244
   68    HE3  TRP  10           HE3      TRP  10   1.058  -8.229  -3.713
   69    HZ2  TRP  10           HZ2      TRP  10   4.391  -4.701  -2.576
   70    HZ3  TRP  10           HZ3      TRP  10   2.884  -7.654  -5.260
   71    HH2  TRP  10           HH2      TRP  10   4.515  -5.924  -4.701
   72    H    LEU  11           H        LEU  11   2.343  -9.683  -0.421
   73    HA   LEU  11           HA       LEU  11   2.259 -10.934  -3.006
   74    HB2  LEU  11           HB2      LEU  11   4.396 -10.370  -0.991
   75    HB3  LEU  11           HB3      LEU  11   4.713 -11.489  -2.305
   76    HG   LEU  11           HG       LEU  11   3.869  -8.607  -2.627
   77   HD11  LEU  11          HD11      LEU  11   6.412  -9.747  -2.089
   78   HD12  LEU  11          HD12      LEU  11   6.015  -8.070  -2.460
   79   HD13  LEU  11          HD13      LEU  11   6.410  -9.191  -3.762
   80   HD21  LEU  11          HD21      LEU  11   4.638  -9.141  -5.028
   81   HD22  LEU  11          HD22      LEU  11   3.047  -9.698  -4.511
   82   HD23  LEU  11          HD23      LEU  11   4.400 -10.827  -4.571
   83    H    VAL  12           H        VAL  12   1.839 -11.976   0.220
   84    HA   VAL  12           HA       VAL  12   1.985 -14.775  -0.679
   85    HB   VAL  12           HB       VAL  12   2.551 -15.286   1.789
   86   HG11  VAL  12          HG11      VAL  12   4.595 -14.045  -0.048
   87   HG12  VAL  12          HG12      VAL  12   4.061 -15.726  -0.059
   88   HG13  VAL  12          HG13      VAL  12   4.954 -15.093   1.324
   89   HG21  VAL  12          HG21      VAL  12   2.357 -12.545   2.027
   90   HG22  VAL  12          HG22      VAL  12   4.098 -12.829   1.978
   91   HG23  VAL  12          HG23      VAL  12   3.104 -13.638   3.191
   92    H    GLU  13           H        GLU  13  -0.045 -12.402   0.285
   93    HA   GLU  13           HA       GLU  13  -2.007 -14.339   1.263
   94    HB2  GLU  13           HB2      GLU  13  -1.504 -11.669   2.593
   95    HB3  GLU  13           HB3      GLU  13  -2.772 -12.806   3.017
   96    HG2  GLU  13           HG2      GLU  13  -1.418 -13.920   4.359
   97    HG3  GLU  13           HG3      GLU  13  -0.217 -14.104   3.087
   98    H    GLU  14           H        GLU  14  -4.225 -13.108   1.471
   99    HA   GLU  14           HA       GLU  14  -4.648 -11.812  -1.109
  100    HB2  GLU  14           HB2      GLU  14  -6.877 -12.395   0.792
  101    HB3  GLU  14           HB3      GLU  14  -6.868 -12.446  -0.964
  102    HG2  GLU  14           HG2      GLU  14  -5.552 -14.504  -0.899
  103    HG3  GLU  14           HG3      GLU  14  -5.572 -14.457   0.864
  104    H    PHE  15           H        PHE  15  -4.673  -9.676  -1.248
  105    HA   PHE  15           HA       PHE  15  -5.230  -8.111   1.171
  106    HB2  PHE  15           HB2      PHE  15  -3.920  -6.365   0.271
  107    HB3  PHE  15           HB3      PHE  15  -3.032  -7.840  -0.090
  108    HD1  PHE  15           HD1      PHE  15  -5.140  -5.182  -1.510
  109    HD2  PHE  15           HD2      PHE  15  -2.654  -8.536  -2.332
  110    HE1  PHE  15           HE1      PHE  15  -5.092  -4.557  -3.888
  111    HE2  PHE  15           HE2      PHE  15  -2.602  -7.917  -4.714
  112    HZ   PHE  15           HZ       PHE  15  -3.822  -5.924  -5.492
  113    H    VAL  16           H        VAL  16  -6.473  -6.181   1.025
  114    HA   VAL  16           HA       VAL  16  -8.297  -6.030  -1.260
  115    HB   VAL  16           HB       VAL  16 -10.149  -5.511   0.438
  116   HG11  VAL  16          HG11      VAL  16  -9.123  -8.344   0.306
  117   HG12  VAL  16          HG12      VAL  16 -10.034  -7.539  -0.973
  118   HG13  VAL  16          HG13      VAL  16 -10.786  -7.833   0.596
  119   HG21  VAL  16          HG21      VAL  16  -8.197  -5.645   2.280
  120   HG22  VAL  16          HG22      VAL  16  -8.791  -7.304   2.350
  121   HG23  VAL  16          HG23      VAL  16  -9.895  -5.959   2.639
  122    H    VAL  17           H        VAL  17  -8.244  -4.029  -2.048
  123    HA   VAL  17           HA       VAL  17  -6.945  -1.878  -0.828
  124    HB   VAL  17           HB       VAL  17  -9.105  -1.636  -2.922
  125   HG11  VAL  17          HG11      VAL  17  -7.277   0.218  -3.556
  126   HG12  VAL  17          HG12      VAL  17  -7.042   0.165  -1.809
  127   HG13  VAL  17          HG13      VAL  17  -8.633   0.534  -2.473
  128   HG21  VAL  17          HG21      VAL  17  -7.118  -1.724  -4.514
  129   HG22  VAL  17          HG22      VAL  17  -7.641  -3.251  -3.801
  130   HG23  VAL  17          HG23      VAL  17  -6.216  -2.425  -3.170
  131    H    ALA  18           H        ALA  18  -7.667  -1.457   1.237
  132    HA   ALA  18           HA       ALA  18 -10.482  -0.894   1.695
  133    HB1  ALA  18           HB1      ALA  18  -9.018  -2.150   3.328
  134    HB2  ALA  18           HB2      ALA  18  -9.958  -0.818   4.002
  135    HB3  ALA  18           HB3      ALA  18  -8.236  -0.608   3.678
  136    H    GLU  19           H        GLU  19  -7.486   0.785   1.203
  137    HA   GLU  19           HA       GLU  19  -8.927   3.339   1.302
  138    HB2  GLU  19           HB2      GLU  19  -6.137   2.985   2.400
  139    HB3  GLU  19           HB3      GLU  19  -7.140   4.424   2.482
  140    HG2  GLU  19           HG2      GLU  19  -8.650   2.431   3.700
  141    HG3  GLU  19           HG3      GLU  19  -7.002   2.169   4.268
  142    H    GLU  20           H        GLU  20  -8.792   4.203  -0.676
  143    HA   GLU  20           HA       GLU  20  -7.206   3.356  -2.758
  144    HB2  GLU  20           HB2      GLU  20  -7.493   5.846  -3.570
  145    HB3  GLU  20           HB3      GLU  20  -8.869   4.758  -3.491
  146    HG2  GLU  20           HG2      GLU  20  -8.339   6.295  -1.043
  147    HG3  GLU  20           HG3      GLU  20  -8.824   7.241  -2.449
  148    H    CYS  21           H        CYS  21  -5.499   4.745  -3.911
  149    HA   CYS  21           HA       CYS  21  -3.409   5.239  -1.953
  150    HB2  CYS  21           HB2      CYS  21  -1.852   5.107  -3.791
  151    HB3  CYS  21           HB3      CYS  21  -2.938   3.733  -3.845
  152    H    SER  22           H        SER  22  -2.265   7.121  -1.753
  153    HA   SER  22           HA       SER  22  -3.189   9.436  -3.303
  154    HB2  SER  22           HB2      SER  22  -2.631   9.866  -0.411
  155    HB3  SER  22           HB3      SER  22  -3.771  10.691  -1.472
  156    HG   SER  22           HG       SER  22  -5.215   9.088  -1.194
  157    HA   PRO  23           HA       PRO  23   0.883  10.970  -3.859
  158    HB2  PRO  23           HB2      PRO  23   0.212  13.197  -1.976
  159    HB3  PRO  23           HB3      PRO  23   0.970  13.266  -3.572
  160    HG2  PRO  23           HG2      PRO  23  -1.597  13.891  -3.271
  161    HG3  PRO  23           HG3      PRO  23  -1.044  12.977  -4.687
  162    HD2  PRO  23           HD2      PRO  23  -2.558  12.044  -2.303
  163    HD3  PRO  23           HD3      PRO  23  -2.604  11.453  -3.975
  164    H    CYS  24           H        CYS  24   2.929  11.216  -2.850
  165    HA   CYS  24           HA       CYS  24   3.013  10.168  -0.102
  166    HB2  CYS  24           HB2      CYS  24   5.000   9.953  -2.364
  167    HB3  CYS  24           HB3      CYS  24   5.336   9.425  -0.724
  168    H    SER  25           H        SER  25   3.644  11.527   1.426
  169    HA   SER  25           HA       SER  25   4.487  14.156   0.947
  170    HB2  SER  25           HB2      SER  25   3.564  12.847   3.126
  171    HB3  SER  25           HB3      SER  25   5.278  12.936   3.529
  172    HG   SER  25           HG       SER  25   3.431  15.016   3.123
  173    H    ASN  26           H        ASN  26   6.625  14.657   2.606
  174    HA   ASN  26           HA       ASN  26   8.816  14.114   0.897
  175    HB2  ASN  26           HB2      ASN  26   8.652  15.291   3.673
  176    HB3  ASN  26           HB3      ASN  26  10.164  15.149   2.782
  177   HD21  ASN  26          HD21      ASN  26   8.509  17.469   3.722
  178   HD22  ASN  26          HD22      ASN  26   8.316  18.458   2.318
  179    H    PHE  27           H        PHE  27   7.577  12.571   3.767
  180    HA   PHE  27           HA       PHE  27   9.956  10.926   4.078
  181    HB2  PHE  27           HB2      PHE  27   7.511  11.459   5.674
  182    HB3  PHE  27           HB3      PHE  27   8.238   9.865   5.853
  183    HD1  PHE  27           HD1      PHE  27  10.825   9.866   6.269
  184    HD2  PHE  27           HD2      PHE  27   8.259  13.180   6.999
  185    HE1  PHE  27           HE1      PHE  27  12.478  10.795   7.839
  186    HE2  PHE  27           HE2      PHE  27   9.906  14.116   8.569
  187    HZ   PHE  27           HZ       PHE  27  12.019  12.922   8.991
  188    H    ARG  28           H        ARG  28   6.680  10.689   2.870
  189    HA   ARG  28           HA       ARG  28   6.524   7.876   2.699
  190    HB2  ARG  28           HB2      ARG  28   5.130  10.036   1.114
  191    HB3  ARG  28           HB3      ARG  28   4.726   8.328   1.012
  192    HG2  ARG  28           HG2      ARG  28   4.704   9.724   3.651
  193    HG3  ARG  28           HG3      ARG  28   3.342   9.880   2.539
  194    HD2  ARG  28           HD2      ARG  28   2.646   8.051   3.702
  195    HD3  ARG  28           HD3      ARG  28   3.594   7.244   2.454
  196    HE   ARG  28           HE       ARG  28   5.092   6.594   4.058
  197   HH11  ARG  28          HH11      ARG  28   3.061   9.114   5.365
  198   HH12  ARG  28          HH12      ARG  28   3.666   8.937   6.977
  199   HH21  ARG  28          HH21      ARG  28   5.889   6.360   6.180
  200   HH22  ARG  28          HH22      ARG  28   5.271   7.375   7.441
  201    H    ALA  29           H        ALA  29   7.338  10.320   0.237
  202    HA   ALA  29           HA       ALA  29   7.838   8.590  -1.879
  203    HB1  ALA  29           HB1      ALA  29   9.448  11.085  -1.494
  204    HB2  ALA  29           HB2      ALA  29   7.717  11.166  -1.825
  205    HB3  ALA  29           HB3      ALA  29   8.801  10.392  -2.982
  206    H    LYS  30           H        LYS  30   9.759   9.262   0.928
  207    HA   LYS  30           HA       LYS  30  12.144   8.064  -0.243
  208    HB2  LYS  30           HB2      LYS  30  11.581   9.371   2.414
  209    HB3  LYS  30           HB3      LYS  30  13.094   8.541   2.077
  210    HG2  LYS  30           HG2      LYS  30  13.098  10.128  -0.028
  211    HG3  LYS  30           HG3      LYS  30  12.054  11.107   1.005
  212    HD2  LYS  30           HD2      LYS  30  14.699  10.030   1.949
  213    HD3  LYS  30           HD3      LYS  30  14.556  11.576   1.110
  214    HE2  LYS  30           HE2      LYS  30  13.183  12.478   2.821
  215    HE3  LYS  30           HE3      LYS  30  12.960  10.897   3.568
  216    HZ1  LYS  30           HZ1      LYS  30  14.947  11.003   4.598
  217    HZ2  LYS  30           HZ2      LYS  30  14.725  12.673   4.430
  218    HZ3  LYS  30           HZ3      LYS  30  15.703  11.834   3.334
  219    H    THR  31           H        THR  31  10.322   7.561   2.786
  220    HA   THR  31           HA       THR  31  11.394   5.031   3.329
  221    HB   THR  31           HB       THR  31   9.462   4.775   4.876
  222    HG1  THR  31           HG1      THR  31   7.941   6.420   4.972
  223   HG21  THR  31          HG21      THR  31   9.935   6.605   6.337
  224   HG22  THR  31          HG22      THR  31  10.613   7.549   5.010
  225   HG23  THR  31          HG23      THR  31  11.438   6.092   5.568
  226    H    THR  32           H        THR  32   8.227   5.881   1.930
  227    HA   THR  32           HA       THR  32   7.683   3.128   1.262
  228    HB   THR  32           HB       THR  32   6.166   5.627   0.498
  229    HG1  THR  32           HG1      THR  32   5.219   5.510   2.379
  230   HG21  THR  32          HG21      THR  32   5.250   4.031  -0.875
  231   HG22  THR  32          HG22      THR  32   4.243   3.893   0.566
  232   HG23  THR  32          HG23      THR  32   5.532   2.725   0.276
  233    HA   PRO  33           HA       PRO  33   9.797   3.699  -2.688
  234    HB2  PRO  33           HB2      PRO  33   9.958   1.103  -3.347
  235    HB3  PRO  33           HB3      PRO  33  10.999   1.814  -2.108
  236    HG2  PRO  33           HG2      PRO  33   8.506   0.190  -1.783
  237    HG3  PRO  33           HG3      PRO  33  10.030   0.088  -0.886
  238    HD2  PRO  33           HD2      PRO  33   7.811   1.386   0.044
  239    HD3  PRO  33           HD3      PRO  33   9.468   1.816   0.509
  240    H    GLU  34           H        GLU  34   6.648   2.817  -2.021
  241    HA   GLU  34           HA       GLU  34   5.950   2.055  -4.738
  242    HB2  GLU  34           HB2      GLU  34   4.785   1.719  -2.134
  243    HB3  GLU  34           HB3      GLU  34   3.614   2.479  -3.202
  244    HG2  GLU  34           HG2      GLU  34   3.167   0.273  -3.574
  245    HG3  GLU  34           HG3      GLU  34   4.337   0.589  -4.855
  246    H    CYS  35           H        CYS  35   7.029   4.709  -4.296
  247    HA   CYS  35           HA       CYS  35   4.716   6.305  -5.171
  248    HB2  CYS  35           HB2      CYS  35   7.102   7.451  -3.724
  249    HB3  CYS  35           HB3      CYS  35   5.553   8.224  -4.044
  250    H    GLY  36           H        GLY  36   7.206   4.776  -6.393
  251    HA2  GLY  36           HA2      GLY  36   8.586   6.865  -7.803
  252    HA3  GLY  36           HA3      GLY  36   8.756   5.138  -8.068
  253    HA   PRO  37           HA       PRO  37   6.055   5.324 -11.543
  254    HB2  PRO  37           HB2      PRO  37   3.947   3.666 -11.133
  255    HB3  PRO  37           HB3      PRO  37   5.594   3.090 -11.403
  256    HG2  PRO  37           HG2      PRO  37   4.044   3.278  -8.874
  257    HG3  PRO  37           HG3      PRO  37   5.256   2.089  -9.368
  258    HD2  PRO  37           HD2      PRO  37   5.704   4.212  -7.644
  259    HD3  PRO  37           HD3      PRO  37   6.960   3.315  -8.515
  260    H    THR  38           H        THR  38   3.189   4.794  -9.553
  261    HA   THR  38           HA       THR  38   1.849   7.004 -10.747
  262    HB   THR  38           HB       THR  38   0.551   5.077 -10.131
  263    HG1  THR  38           HG1      THR  38  -0.071   7.122  -8.277
  264   HG21  THR  38          HG21      THR  38   0.837   3.888  -8.299
  265   HG22  THR  38          HG22      THR  38   0.488   5.289  -7.286
  266   HG23  THR  38          HG23      THR  38   2.137   4.984  -7.831
  267    H    GLY  39           H        GLY  39   3.577   6.500  -7.755
  268    HA2  GLY  39           HA2      GLY  39   4.400   8.128  -6.307
  269    HA3  GLY  39           HA3      GLY  39   3.513   9.346  -7.215
  270    H    TYR  40           H        TYR  40   1.347   6.982  -6.675
  271    HA   TYR  40           HA       TYR  40   0.341   8.239  -4.214
  272    HB2  TYR  40           HB2      TYR  40  -1.071   6.954  -6.554
  273    HB3  TYR  40           HB3      TYR  40  -1.883   7.293  -5.034
  274    HD1  TYR  40           HD1      TYR  40   0.532   9.290  -7.078
  275    HD2  TYR  40           HD2      TYR  40  -3.350   9.046  -5.355
  276    HE1  TYR  40           HE1      TYR  40   0.053  11.572  -7.851
  277    HE2  TYR  40           HE2      TYR  40  -3.842  11.326  -6.129
  278    HH   TYR  40           HH       TYR  40  -2.269  12.869  -8.428
  279    H    VAL  41           H        VAL  41  -0.020   6.952  -2.447
  280    HA   VAL  41           HA       VAL  41   0.337   4.054  -2.841
  281    HB   VAL  41           HB       VAL  41   1.299   3.914  -0.605
  282   HG11  VAL  41          HG11      VAL  41   3.378   5.402  -1.127
  283   HG12  VAL  41          HG12      VAL  41   2.549   5.681  -2.658
  284   HG13  VAL  41          HG13      VAL  41   2.979   4.040  -2.173
  285   HG21  VAL  41          HG21      VAL  41   2.060   6.201   0.371
  286   HG22  VAL  41          HG22      VAL  41   0.414   5.638   0.662
  287   HG23  VAL  41          HG23      VAL  41   0.725   6.848  -0.582
  288    H    GLU  42           H        GLU  42  -1.227   2.761  -2.201
  289    HA   GLU  42           HA       GLU  42  -3.473   3.876  -0.676
  290    HB2  GLU  42           HB2      GLU  42  -4.610   1.725  -1.479
  291    HB3  GLU  42           HB3      GLU  42  -4.248   2.939  -2.694
  292    HG2  GLU  42           HG2      GLU  42  -2.890   1.576  -3.804
  293    HG3  GLU  42           HG3      GLU  42  -2.087   1.042  -2.331
  294    H    LYS  43           H        LYS  43  -4.649   2.138   0.674
  295    HA   LYS  43           HA       LYS  43  -2.648   0.690   2.278
  296    HB2  LYS  43           HB2      LYS  43  -4.308   2.744   3.111
  297    HB3  LYS  43           HB3      LYS  43  -5.149   1.298   3.652
  298    HG2  LYS  43           HG2      LYS  43  -3.477   0.698   5.104
  299    HG3  LYS  43           HG3      LYS  43  -2.235   1.573   4.206
  300    HD2  LYS  43           HD2      LYS  43  -2.625   3.498   5.307
  301    HD3  LYS  43           HD3      LYS  43  -4.373   3.262   5.299
  302    HE2  LYS  43           HE2      LYS  43  -4.377   2.292   7.329
  303    HE3  LYS  43           HE3      LYS  43  -2.889   1.401   7.016
  304    HZ1  LYS  43           HZ1      LYS  43  -3.127   4.241   7.844
  305    HZ2  LYS  43           HZ2      LYS  43  -1.673   3.513   7.373
  306    HZ3  LYS  43           HZ3      LYS  43  -2.487   2.964   8.751
  307    H    ILE  44           H        ILE  44  -2.838  -1.316   1.383
  308    HA   ILE  44           HA       ILE  44  -5.504  -2.516   1.172
  309    HB   ILE  44           HB       ILE  44  -4.226  -4.408   0.057
  310   HG12  ILE  44          HG12      ILE  44  -2.028  -2.580  -0.627
  311   HG13  ILE  44          HG13      ILE  44  -2.017  -3.120   1.048
  312   HG21  ILE  44          HG21      ILE  44  -5.437  -3.094  -1.403
  313   HG22  ILE  44          HG22      ILE  44  -3.799  -2.930  -2.037
  314   HG23  ILE  44          HG23      ILE  44  -4.494  -1.647  -1.047
  315   HD11  ILE  44          HD11      ILE  44  -2.309  -5.087  -1.180
  316   HD12  ILE  44          HD12      ILE  44  -1.717  -5.337   0.462
  317   HD13  ILE  44          HD13      ILE  44  -0.724  -4.472  -0.710
  318    H    THR  45           H        THR  45  -6.221  -3.974   2.591
  319    HA   THR  45           HA       THR  45  -4.400  -4.879   4.694
  320    HB   THR  45           HB       THR  45  -7.409  -5.134   4.569
  321    HG1  THR  45           HG1      THR  45  -7.453  -3.285   5.827
  322   HG21  THR  45          HG21      THR  45  -6.065  -4.925   7.158
  323   HG22  THR  45          HG22      THR  45  -5.740  -6.414   6.272
  324   HG23  THR  45          HG23      THR  45  -7.401  -5.953   6.646
  325    H    CYS  46           H        CYS  46  -3.804  -6.956   4.948
  326    HA   CYS  46           HA       CYS  46  -4.649  -8.848   2.904
  327    HB2  CYS  46           HB2      CYS  46  -2.436  -8.935   4.959
  328    HB3  CYS  46           HB3      CYS  46  -2.811 -10.273   3.884
  329    H    SER  47           H        SER  47  -6.366 -10.061   3.290
  330    HA   SER  47           HA       SER  47  -7.686 -10.427   5.675
  331    HB2  SER  47           HB2      SER  47  -8.766 -11.035   3.620
  332    HB3  SER  47           HB3      SER  47  -7.531 -12.241   3.262
  333    HG   SER  47           HG       SER  47  -8.579 -13.616   4.445
  334    H    SER  48           H        SER  48  -5.393 -12.709   4.177
  335    HA   SER  48           HA       SER  48  -5.312 -14.369   6.513
  336    HB2  SER  48           HB2      SER  48  -3.958 -14.350   3.849
  337    HB3  SER  48           HB3      SER  48  -3.212 -15.271   5.156
  338    HG   SER  48           HG       SER  48  -4.594 -16.669   4.208
  339    H    SER  49           H        SER  49  -4.538 -13.392   8.262
  340    HA   SER  49           HA       SER  49  -2.636 -13.056   9.644
  341    HB2  SER  49           HB2      SER  49  -1.376 -11.643   7.281
  342    HB3  SER  49           HB3      SER  49  -0.617 -11.974   8.835
  343    HG   SER  49           HG       SER  49  -0.529 -14.106   8.352
  344    H    LYS  50           H        LYS  50  -4.602 -11.031   7.785
  345    HA   LYS  50           HA       LYS  50  -5.369  -8.894   8.022
  346    HB2  LYS  50           HB2      LYS  50  -5.228 -10.109  10.685
  347    HB3  LYS  50           HB3      LYS  50  -5.231  -8.351  10.722
  348    HG2  LYS  50           HG2      LYS  50  -7.272 -10.020   9.270
  349    HG3  LYS  50           HG3      LYS  50  -7.482  -9.371  10.898
  350    HD2  LYS  50           HD2      LYS  50  -7.826  -7.262  10.154
  351    HD3  LYS  50           HD3      LYS  50  -6.668  -7.429   8.831
  352    HE2  LYS  50           HE2      LYS  50  -8.229  -8.230   7.383
  353    HE3  LYS  50           HE3      LYS  50  -9.162  -9.018   8.655
  354    HZ1  LYS  50           HZ1      LYS  50  -9.217  -6.195   7.805
  355    HZ2  LYS  50           HZ2      LYS  50  -9.734  -6.634   9.356
  356    HZ3  LYS  50           HZ3      LYS  50 -10.507  -7.273   7.994
  357    H    ARG  51           H        ARG  51  -3.361  -8.209   6.930
  358    HA   ARG  51           HA       ARG  51  -1.856  -6.381   8.657
  359    HB2  ARG  51           HB2      ARG  51  -0.811  -8.717   7.464
  360    HB3  ARG  51           HB3      ARG  51  -0.153  -7.363   6.564
  361    HG2  ARG  51           HG2      ARG  51   0.540  -6.370   8.764
  362    HG3  ARG  51           HG3      ARG  51   0.083  -7.904   9.508
  363    HD2  ARG  51           HD2      ARG  51   1.631  -8.935   7.688
  364    HD3  ARG  51           HD3      ARG  51   2.306  -7.309   7.600
  365    HE   ARG  51           HE       ARG  51   2.353  -7.851  10.247
  366   HH11  ARG  51          HH11      ARG  51   3.513  -9.573   7.442
  367   HH12  ARG  51          HH12      ARG  51   4.823 -10.325   8.290
  368   HH21  ARG  51          HH21      ARG  51   4.076  -8.838  11.364
  369   HH22  ARG  51          HH22      ARG  51   5.142  -9.908  10.517
  370    H    ASN  52           H        ASN  52  -1.854  -4.378   7.908
  371    HA   ASN  52           HA       ASN  52  -2.794  -3.888   5.189
  372    HB2  ASN  52           HB2      ASN  52  -2.885  -1.481   5.994
  373    HB3  ASN  52           HB3      ASN  52  -3.966  -2.605   6.811
  374   HD21  ASN  52          HD21      ASN  52  -3.883  -0.757   8.366
  375   HD22  ASN  52          HD22      ASN  52  -2.665  -0.811   9.591
  376    H    GLU  53           H        GLU  53  -1.324  -3.744   3.646
  377    HA   GLU  53           HA       GLU  53   1.352  -2.743   4.297
  378    HB2  GLU  53           HB2      GLU  53   0.263  -4.653   2.352
  379    HB3  GLU  53           HB3      GLU  53   1.474  -3.568   1.683
  380    HG2  GLU  53           HG2      GLU  53   1.795  -5.418   4.032
  381    HG3  GLU  53           HG3      GLU  53   2.540  -5.572   2.442
  382    H    PHE  54           H        PHE  54   2.413  -1.354   2.648
  383    HA   PHE  54           HA       PHE  54   0.507   0.671   1.706
  384    HB2  PHE  54           HB2      PHE  54   3.308   0.759   2.704
  385    HB3  PHE  54           HB3      PHE  54   2.862   1.927   1.464
  386    HD1  PHE  54           HD1      PHE  54   0.744   3.329   1.903
  387    HD2  PHE  54           HD2      PHE  54   2.842   1.192   4.927
  388    HE1  PHE  54           HE1      PHE  54  -0.275   4.766   3.622
  389    HE2  PHE  54           HE2      PHE  54   1.825   2.624   6.650
  390    HZ   PHE  54           HZ       PHE  54   0.264   4.414   5.998
  391    H    LYS  55           H        LYS  55  -0.085  -0.038  -0.291
  392    HA   LYS  55           HA       LYS  55   2.026  -0.669  -2.231
  393    HB2  LYS  55           HB2      LYS  55  -0.520  -1.776  -1.715
  394    HB3  LYS  55           HB3      LYS  55  -0.617  -1.000  -3.290
  395    HG2  LYS  55           HG2      LYS  55   0.920  -2.406  -4.234
  396    HG3  LYS  55           HG3      LYS  55   1.720  -2.739  -2.697
  397    HD2  LYS  55           HD2      LYS  55   0.526  -4.596  -2.472
  398    HD3  LYS  55           HD3      LYS  55  -0.961  -3.650  -2.507
  399    HE2  LYS  55           HE2      LYS  55  -1.116  -5.258  -4.235
  400    HE3  LYS  55           HE3      LYS  55  -0.827  -3.702  -5.007
  401    HZ1  LYS  55           HZ1      LYS  55   1.654  -4.868  -4.507
  402    HZ2  LYS  55           HZ2      LYS  55   0.920  -4.592  -6.006
  403    HZ3  LYS  55           HZ3      LYS  55   0.684  -6.064  -5.207
  404    H    SER  56           H        SER  56   1.254   0.021  -4.575
  405    HA   SER  56           HA       SER  56   0.464   2.860  -4.436
  406    HB2  SER  56           HB2      SER  56   2.061   3.437  -6.056
  407    HB3  SER  56           HB3      SER  56   2.921   2.276  -5.046
  408    HG   SER  56           HG       SER  56   1.907   1.978  -7.641
  409    H    CYS  57           H        CYS  57  -1.137   3.532  -5.794
  410    HA   CYS  57           HA       CYS  57  -2.010   1.635  -7.869
  411    HB2  CYS  57           HB2      CYS  57  -4.208   1.629  -7.204
  412    HB3  CYS  57           HB3      CYS  57  -3.420   1.773  -5.646
  413    H    ARG  58           H        ARG  58  -3.739   2.791  -9.326
  414    HA   ARG  58           HA       ARG  58  -2.443   5.235 -10.250
  415    HB2  ARG  58           HB2      ARG  58  -3.036   3.253 -11.760
  416    HB3  ARG  58           HB3      ARG  58  -4.704   3.786 -11.614
  417    HG2  ARG  58           HG2      ARG  58  -3.299   6.082 -12.299
  418    HG3  ARG  58           HG3      ARG  58  -2.579   4.805 -13.280
  419    HD2  ARG  58           HD2      ARG  58  -5.512   5.490 -13.107
  420    HD3  ARG  58           HD3      ARG  58  -4.434   5.851 -14.455
  421    HE   ARG  58           HE       ARG  58  -5.731   3.368 -13.912
  422   HH11  ARG  58          HH11      ARG  58  -2.867   4.787 -15.312
  423   HH12  ARG  58          HH12      ARG  58  -2.577   3.453 -16.378
  424   HH21  ARG  58          HH21      ARG  58  -5.351   1.615 -15.314
  425   HH22  ARG  58          HH22      ARG  58  -3.987   1.653 -16.380
  426    H    SER  59           H        SER  59  -3.227   7.178  -9.804
  427    HA   SER  59           HA       SER  59  -5.822   7.431  -8.543
  428    HB2  SER  59           HB2      SER  59  -3.380   8.817  -8.368
  429    HB3  SER  59           HB3      SER  59  -4.530   9.963  -9.056
  430    HG   SER  59           HG       SER  59  -5.094   8.408  -6.758
  431    H    ALA  60           H        ALA  60  -4.373   8.006 -11.638
  432    HA   ALA  60           HA       ALA  60  -6.124   9.918 -12.684
  433    HB1  ALA  60           HB1      ALA  60  -4.326   9.632 -14.051
  434    HB2  ALA  60           HB2      ALA  60  -5.494   8.622 -14.905
  435    HB3  ALA  60           HB3      ALA  60  -4.301   7.881 -13.838
  436    H    LEU  61           H        LEU  61  -6.670   6.616 -11.914
  437    HA   LEU  61           HA       LEU  61  -9.151   6.626 -13.499
  438    HB2  LEU  61           HB2      LEU  61  -7.270   4.805 -13.759
  439    HB3  LEU  61           HB3      LEU  61  -8.002   4.135 -12.312
  440    HG   LEU  61           HG       LEU  61  -8.929   3.011 -14.209
  441   HD11  LEU  61          HD11      LEU  61 -10.427   3.796 -12.284
  442   HD12  LEU  61          HD12      LEU  61 -11.207   3.247 -13.768
  443   HD13  LEU  61          HD13      LEU  61 -11.059   4.973 -13.436
  444   HD21  LEU  61          HD21      LEU  61 -10.063   4.165 -16.014
  445   HD22  LEU  61          HD22      LEU  61  -8.398   4.730 -15.885
  446   HD23  LEU  61          HD23      LEU  61  -9.716   5.724 -15.265
  447    H    MET  62           H        MET  62  -7.737   6.056 -10.339
  448    HA   MET  62           HA       MET  62  -9.987   5.062  -9.017
  449    HB2  MET  62           HB2      MET  62  -7.542   6.545  -8.122
  450    HB3  MET  62           HB3      MET  62  -8.835   6.222  -6.976
  451    HG2  MET  62           HG2      MET  62  -7.334   4.155  -8.564
  452    HG3  MET  62           HG3      MET  62  -7.085   4.536  -6.862
  453    HE1  MET  62           HE1      MET  62  -8.195   3.580  -5.019
  454    HE2  MET  62           HE2      MET  62  -7.617   2.096  -5.780
  455    HE3  MET  62           HE3      MET  62  -9.251   2.171  -5.118
  456    H    GLU  63           H        GLU  63  -8.798   8.417  -9.188
  457    HA   GLU  63           HA       GLU  63 -11.538   9.382  -9.087
  458    HB2  GLU  63           HB2      GLU  63 -10.966  10.999  -7.254
  459    HB3  GLU  63           HB3      GLU  63 -11.065   9.318  -6.744
  460    HG2  GLU  63           HG2      GLU  63  -8.426   9.545  -7.355
  461    HG3  GLU  63           HG3      GLU  63  -8.792  11.159  -6.748
  462    H    GLN  64           H        GLN  64 -11.184  10.153 -11.173
  463    HA   GLN  64           HA       GLN  64  -9.443  12.521 -11.307
  464    HB2  GLN  64           HB2      GLN  64  -8.657  10.338 -12.541
  465    HB3  GLN  64           HB3      GLN  64  -9.857  10.818 -13.733
  466    HG2  GLN  64           HG2      GLN  64  -8.584  13.139 -13.496
  467    HG3  GLN  64           HG3      GLN  64  -7.268  12.062 -13.034
  468   HE21  GLN  64          HE21      GLN  64  -9.832  12.215 -15.486
  469   HE22  GLN  64          HE22      GLN  64  -8.825  11.757 -16.813
  470    H    ARG  65           H        ARG  65 -10.622  14.268 -11.672
  471    HA   ARG  65           HA       ARG  65 -12.877  14.099 -13.541
  472    HB2  ARG  65           HB2      ARG  65 -12.933  15.283 -10.766
  473    HB3  ARG  65           HB3      ARG  65 -14.128  15.682 -11.995
  474    HG2  ARG  65           HG2      ARG  65 -14.429  13.098 -12.143
  475    HG3  ARG  65           HG3      ARG  65 -13.689  13.117 -10.541
  476    HD2  ARG  65           HD2      ARG  65 -15.754  15.133 -10.797
  477    HD3  ARG  65           HD3      ARG  65 -16.372  13.520 -11.148
  478    HE   ARG  65           HE       ARG  65 -16.101  12.965  -8.939
  479   HH11  ARG  65          HH11      ARG  65 -14.403  15.946  -9.583
  480   HH12  ARG  65          HH12      ARG  65 -14.076  16.265  -7.913
  481   HH21  ARG  65          HH21      ARG  65 -15.671  13.384  -6.743
  482   HH22  ARG  65          HH22      ARG  65 -14.794  14.811  -6.301
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  23.212 -14.224   4.447
    2    H2   GLY   1           H2       GLY   1  23.382 -14.807   6.025
    3    H3   GLY   1           H3       GLY   1  23.980 -15.706   4.722
    4    HA2  GLY   1           HA2      GLY   1  25.873 -14.728   5.626
    5    HA3  GLY   1           HA3      GLY   1  25.474 -13.747   4.225
    6    H    SER   2           H        SER   2  24.346 -11.729   4.579
    7    HA   SER   2           HA       SER   2  23.969 -10.671   7.188
    8    HB2  SER   2           HB2      SER   2  26.547 -10.714   6.817
    9    HB3  SER   2           HB3      SER   2  26.247  -9.346   5.745
   10    HG   SER   2           HG       SER   2  26.582  -8.444   7.701
   11    H    GLY   3           H        GLY   3  22.106  -9.692   6.674
   12    HA2  GLY   3           HA2      GLY   3  21.089  -7.642   5.955
   13    HA3  GLY   3           HA3      GLY   3  22.213  -7.604   4.604
   14    H    MET   4           H        MET   4  19.208  -8.839   5.807
   15    HA   MET   4           HA       MET   4  18.707 -10.198   3.249
   16    HB2  MET   4           HB2      MET   4  17.593 -10.523   6.008
   17    HB3  MET   4           HB3      MET   4  16.621 -11.008   4.626
   18    HG2  MET   4           HG2      MET   4  19.427 -11.988   4.998
   19    HG3  MET   4           HG3      MET   4  18.054 -12.781   5.767
   20    HE1  MET   4           HE1      MET   4  18.747 -14.815   4.889
   21    HE2  MET   4           HE2      MET   4  18.572 -15.406   3.236
   22    HE3  MET   4           HE3      MET   4  17.142 -15.133   4.231
   23    H    LYS   5           H        LYS   5  16.539  -9.963   2.311
   24    HA   LYS   5           HA       LYS   5  15.617  -7.191   2.567
   25    HB2  LYS   5           HB2      LYS   5  14.475  -7.682   0.362
   26    HB3  LYS   5           HB3      LYS   5  16.232  -7.686   0.330
   27    HG2  LYS   5           HG2      LYS   5  14.927 -10.286   0.825
   28    HG3  LYS   5           HG3      LYS   5  14.733  -9.595  -0.788
   29    HD2  LYS   5           HD2      LYS   5  17.454  -9.601   0.409
   30    HD3  LYS   5           HD3      LYS   5  16.797 -11.138  -0.159
   31    HE2  LYS   5           HE2      LYS   5  16.455 -10.230  -2.365
   32    HE3  LYS   5           HE3      LYS   5  16.947  -8.626  -1.820
   33    HZ1  LYS   5           HZ1      LYS   5  18.907  -9.308  -2.673
   34    HZ2  LYS   5           HZ2      LYS   5  18.578 -10.954  -2.456
   35    HZ3  LYS   5           HZ3      LYS   5  19.093 -10.015  -1.148
   36    H    GLU   6           H        GLU   6  13.547  -6.675   3.087
   37    HA   GLU   6           HA       GLU   6  11.909  -8.827   4.170
   38    HB2  GLU   6           HB2      GLU   6  10.579  -7.030   5.178
   39    HB3  GLU   6           HB3      GLU   6  12.286  -6.853   5.561
   40    HG2  GLU   6           HG2      GLU   6  12.015  -4.732   4.945
   41    HG3  GLU   6           HG3      GLU   6  12.061  -5.353   3.295
   42    H    PHE   7           H        PHE   7   9.594  -8.898   3.742
   43    HA   PHE   7           HA       PHE   7   8.841  -7.812   1.117
   44    HB2  PHE   7           HB2      PHE   7   7.494 -10.149   1.067
   45    HB3  PHE   7           HB3      PHE   7   9.086  -9.936   0.348
   46    HD1  PHE   7           HD1      PHE   7   7.656 -10.691   3.717
   47    HD2  PHE   7           HD2      PHE   7  10.599 -11.596   0.779
   48    HE1  PHE   7           HE1      PHE   7   8.534 -12.483   5.155
   49    HE2  PHE   7           HE2      PHE   7  11.482 -13.391   2.211
   50    HZ   PHE   7           HZ       PHE   7  10.450 -13.837   4.402
   51    HA   PRO   8           HA       PRO   8   4.976  -6.917   3.080
   52    HB2  PRO   8           HB2      PRO   8   3.292  -6.804   1.032
   53    HB3  PRO   8           HB3      PRO   8   4.691  -5.724   1.093
   54    HG2  PRO   8           HG2      PRO   8   4.304  -8.236  -0.482
   55    HG3  PRO   8           HG3      PRO   8   5.063  -6.714  -0.974
   56    HD2  PRO   8           HD2      PRO   8   6.417  -8.982  -0.096
   57    HD3  PRO   8           HD3      PRO   8   7.087  -7.340  -0.143
   58    H    CYS   9           H        CYS   9   2.423  -7.623   2.586
   59    HA   CYS   9           HA       CYS   9   2.413 -10.510   3.139
   60    HB2  CYS   9           HB2      CYS   9   0.361 -10.174   4.368
   61    HB3  CYS   9           HB3      CYS   9   1.555  -9.020   4.944
   62    H    TRP  10           H        TRP  10   1.136  -8.014   1.078
   63    HA   TRP  10           HA       TRP  10  -0.972  -9.516  -0.070
   64    HB2  TRP  10           HB2      TRP  10  -0.782  -7.794  -1.929
   65    HB3  TRP  10           HB3      TRP  10  -1.092  -7.171  -0.318
   66    HD1  TRP  10           HD1      TRP  10   0.849  -5.742   0.852
   67    HE1  TRP  10           HE1      TRP  10   2.906  -4.538  -0.120
   68    HE3  TRP  10           HE3      TRP  10   1.004  -7.983  -3.729
   69    HZ2  TRP  10           HZ2      TRP  10   4.399  -4.542  -2.517
   70    HZ3  TRP  10           HZ3      TRP  10   2.775  -7.328  -5.310
   71    HH2  TRP  10           HH2      TRP  10   4.437  -5.642  -4.714
   72    H    LEU  11           H        LEU  11   2.446  -9.406  -0.617
   73    HA   LEU  11           HA       LEU  11   2.414 -10.516  -3.234
   74    HB2  LEU  11           HB2      LEU  11   4.495 -10.110  -1.129
   75    HB3  LEU  11           HB3      LEU  11   4.854 -11.132  -2.510
   76    HG   LEU  11           HG       LEU  11   3.970  -8.251  -2.684
   77   HD11  LEU  11          HD11      LEU  11   6.085  -7.651  -2.375
   78   HD12  LEU  11          HD12      LEU  11   6.605  -8.721  -3.676
   79   HD13  LEU  11          HD13      LEU  11   6.502  -9.328  -2.024
   80   HD21  LEU  11          HD21      LEU  11   4.833 -10.267  -4.749
   81   HD22  LEU  11          HD22      LEU  11   4.782  -8.531  -5.051
   82   HD23  LEU  11          HD23      LEU  11   3.301  -9.400  -4.652
   83    H    VAL  12           H        VAL  12   1.918 -11.840  -0.127
   84    HA   VAL  12           HA       VAL  12   2.067 -14.547  -1.267
   85    HB   VAL  12           HB       VAL  12   2.669 -15.321   1.088
   86   HG11  VAL  12          HG11      VAL  12   4.977 -13.775   0.110
   87   HG12  VAL  12          HG12      VAL  12   4.188 -14.812  -1.079
   88   HG13  VAL  12          HG13      VAL  12   4.814 -15.503   0.418
   89   HG21  VAL  12          HG21      VAL  12   4.052 -12.805   1.630
   90   HG22  VAL  12          HG22      VAL  12   3.159 -13.866   2.719
   91   HG23  VAL  12          HG23      VAL  12   2.295 -12.685   1.733
   92    H    GLU  13           H        GLU  13   0.035 -12.269  -0.144
   93    HA   GLU  13           HA       GLU  13  -1.926 -14.269   0.701
   94    HB2  GLU  13           HB2      GLU  13  -1.408 -11.703   2.220
   95    HB3  GLU  13           HB3      GLU  13  -2.691 -12.854   2.556
   96    HG2  GLU  13           HG2      GLU  13  -1.354 -14.143   3.762
   97    HG3  GLU  13           HG3      GLU  13  -0.086 -14.112   2.543
   98    H    GLU  14           H        GLU  14  -4.161 -13.220   0.858
   99    HA   GLU  14           HA       GLU  14  -4.570 -11.672  -1.562
  100    HB2  GLU  14           HB2      GLU  14  -6.139 -13.376  -1.424
  101    HB3  GLU  14           HB3      GLU  14  -6.338 -13.200   0.312
  102    HG2  GLU  14           HG2      GLU  14  -8.331 -12.489  -0.857
  103    HG3  GLU  14           HG3      GLU  14  -7.571 -11.122  -0.045
  104    H    PHE  15           H        PHE  15  -4.828  -9.540  -1.594
  105    HA   PHE  15           HA       PHE  15  -5.348  -8.178   0.963
  106    HB2  PHE  15           HB2      PHE  15  -4.066  -6.331   0.207
  107    HB3  PHE  15           HB3      PHE  15  -3.130  -7.769  -0.185
  108    HD1  PHE  15           HD1      PHE  15  -5.254  -5.102  -1.573
  109    HD2  PHE  15           HD2      PHE  15  -2.619  -8.330  -2.433
  110    HE1  PHE  15           HE1      PHE  15  -5.120  -4.362  -3.915
  111    HE2  PHE  15           HE2      PHE  15  -2.478  -7.595  -4.777
  112    HZ   PHE  15           HZ       PHE  15  -3.730  -5.609  -5.520
  113    H    VAL  16           H        VAL  16  -6.552  -6.195   0.910
  114    HA   VAL  16           HA       VAL  16  -8.383  -5.926  -1.362
  115    HB   VAL  16           HB       VAL  16 -10.224  -5.462   0.351
  116   HG11  VAL  16          HG11      VAL  16 -11.020  -7.535  -0.035
  117   HG12  VAL  16          HG12      VAL  16  -9.576  -8.323   0.600
  118   HG13  VAL  16          HG13      VAL  16  -9.580  -7.683  -1.043
  119   HG21  VAL  16          HG21      VAL  16  -8.854  -7.294   2.222
  120   HG22  VAL  16          HG22      VAL  16  -9.973  -5.969   2.543
  121   HG23  VAL  16          HG23      VAL  16  -8.279  -5.627   2.190
  122    H    VAL  17           H        VAL  17  -8.359  -3.886  -2.059
  123    HA   VAL  17           HA       VAL  17  -6.998  -1.807  -0.781
  124    HB   VAL  17           HB       VAL  17  -9.209  -1.473  -2.811
  125   HG11  VAL  17          HG11      VAL  17  -7.086   0.299  -1.711
  126   HG12  VAL  17          HG12      VAL  17  -8.751   0.673  -2.159
  127   HG13  VAL  17          HG13      VAL  17  -7.525   0.471  -3.410
  128   HG21  VAL  17          HG21      VAL  17  -7.874  -2.216  -4.450
  129   HG22  VAL  17          HG22      VAL  17  -6.960  -2.999  -3.160
  130   HG23  VAL  17          HG23      VAL  17  -6.450  -1.426  -3.774
  131    H    ALA  18           H        ALA  18  -7.653  -1.488   1.323
  132    HA   ALA  18           HA       ALA  18 -10.440  -0.937   1.917
  133    HB1  ALA  18           HB1      ALA  18  -8.118  -0.649   3.808
  134    HB2  ALA  18           HB2      ALA  18  -8.861  -2.207   3.447
  135    HB3  ALA  18           HB3      ALA  18  -9.816  -0.925   4.194
  136    H    GLU  19           H        GLU  19  -7.487   0.776   1.319
  137    HA   GLU  19           HA       GLU  19  -8.938   3.314   1.484
  138    HB2  GLU  19           HB2      GLU  19  -6.141   2.963   2.568
  139    HB3  GLU  19           HB3      GLU  19  -7.139   4.407   2.650
  140    HG2  GLU  19           HG2      GLU  19  -8.672   2.459   3.879
  141    HG3  GLU  19           HG3      GLU  19  -7.028   2.123   4.419
  142    H    GLU  20           H        GLU  20  -8.834   4.186  -0.485
  143    HA   GLU  20           HA       GLU  20  -7.273   3.368  -2.593
  144    HB2  GLU  20           HB2      GLU  20  -8.337   6.144  -2.058
  145    HB3  GLU  20           HB3      GLU  20  -7.737   5.586  -3.613
  146    HG2  GLU  20           HG2      GLU  20 -10.117   4.495  -2.128
  147    HG3  GLU  20           HG3      GLU  20 -10.156   5.536  -3.550
  148    H    CYS  21           H        CYS  21  -5.515   4.581  -3.731
  149    HA   CYS  21           HA       CYS  21  -3.441   5.168  -1.800
  150    HB2  CYS  21           HB2      CYS  21  -1.879   4.985  -3.624
  151    HB3  CYS  21           HB3      CYS  21  -2.984   3.624  -3.673
  152    H    SER  22           H        SER  22  -2.303   7.046  -1.623
  153    HA   SER  22           HA       SER  22  -3.208   9.336  -3.220
  154    HB2  SER  22           HB2      SER  22  -2.857  10.571  -0.859
  155    HB3  SER  22           HB3      SER  22  -4.413   9.918  -1.369
  156    HG   SER  22           HG       SER  22  -2.528   8.803   0.414
  157    HA   PRO  23           HA       PRO  23   0.876  10.828  -3.778
  158    HB2  PRO  23           HB2      PRO  23   0.198  13.124  -1.983
  159    HB3  PRO  23           HB3      PRO  23   0.963  13.131  -3.578
  160    HG2  PRO  23           HG2      PRO  23  -1.602  13.777  -3.313
  161    HG3  PRO  23           HG3      PRO  23  -1.049  12.806  -4.690
  162    HD2  PRO  23           HD2      PRO  23  -2.563  11.971  -2.268
  163    HD3  PRO  23           HD3      PRO  23  -2.626  11.324  -3.918
  164    H    CYS  24           H        CYS  24   2.911  11.182  -2.738
  165    HA   CYS  24           HA       CYS  24   2.963  10.237   0.053
  166    HB2  CYS  24           HB2      CYS  24   5.050   9.904  -2.112
  167    HB3  CYS  24           HB3      CYS  24   5.192   9.315  -0.461
  168    H    SER  25           H        SER  25   3.545  11.725   1.481
  169    HA   SER  25           HA       SER  25   4.410  14.293   0.897
  170    HB2  SER  25           HB2      SER  25   3.439  13.528   3.076
  171    HB3  SER  25           HB3      SER  25   4.995  12.788   3.455
  172    HG   SER  25           HG       SER  25   4.549  15.542   2.923
  173    H    ASN  26           H        ASN  26   6.576  15.051   2.212
  174    HA   ASN  26           HA       ASN  26   8.701  14.418   0.510
  175    HB2  ASN  26           HB2      ASN  26   8.410  15.911   3.067
  176    HB3  ASN  26           HB3      ASN  26  10.038  15.440   2.586
  177   HD21  ASN  26          HD21      ASN  26   7.121  17.022   1.365
  178   HD22  ASN  26          HD22      ASN  26   7.947  18.155   0.355
  179    H    PHE  27           H        PHE  27   7.640  12.956   3.487
  180    HA   PHE  27           HA       PHE  27  10.077  11.355   3.681
  181    HB2  PHE  27           HB2      PHE  27   8.594  12.474   5.633
  182    HB3  PHE  27           HB3      PHE  27   7.830  10.890   5.558
  183    HD1  PHE  27           HD1      PHE  27   9.650   8.901   5.387
  184    HD2  PHE  27           HD2      PHE  27  10.273  12.719   7.162
  185    HE1  PHE  27           HE1      PHE  27  11.461   7.962   6.762
  186    HE2  PHE  27           HE2      PHE  27  12.087  11.786   8.538
  187    HZ   PHE  27           HZ       PHE  27  12.683   9.405   8.339
  188    H    ARG  28           H        ARG  28   6.612  11.004   3.109
  189    HA   ARG  28           HA       ARG  28   6.440   8.224   3.098
  190    HB2  ARG  28           HB2      ARG  28   4.511   9.805   3.016
  191    HB3  ARG  28           HB3      ARG  28   4.892  10.120   1.329
  192    HG2  ARG  28           HG2      ARG  28   3.470   8.480   0.861
  193    HG3  ARG  28           HG3      ARG  28   4.736   7.381   1.411
  194    HD2  ARG  28           HD2      ARG  28   3.623   8.025   3.771
  195    HD3  ARG  28           HD3      ARG  28   2.217   8.195   2.722
  196    HE   ARG  28           HE       ARG  28   2.182   5.919   2.446
  197   HH11  ARG  28          HH11      ARG  28   5.224   6.847   3.881
  198   HH12  ARG  28          HH12      ARG  28   5.709   5.218   4.212
  199   HH21  ARG  28          HH21      ARG  28   2.817   3.776   2.881
  200   HH22  ARG  28          HH22      ARG  28   4.342   3.474   3.644
  201    H    ALA  29           H        ALA  29   7.282  10.456   0.480
  202    HA   ALA  29           HA       ALA  29   7.700   8.250  -1.366
  203    HB1  ALA  29           HB1      ALA  29   8.530  10.961  -2.162
  204    HB2  ALA  29           HB2      ALA  29   6.821  10.765  -1.770
  205    HB3  ALA  29           HB3      ALA  29   7.558   9.768  -3.024
  206    H    LYS  30           H        LYS  30   9.462   9.160   1.115
  207    HA   LYS  30           HA       LYS  30  12.032   9.279  -0.285
  208    HB2  LYS  30           HB2      LYS  30  11.114  10.685   1.881
  209    HB3  LYS  30           HB3      LYS  30  12.051   9.413   2.650
  210    HG2  LYS  30           HG2      LYS  30  13.637  11.041   2.383
  211    HG3  LYS  30           HG3      LYS  30  13.873  10.093   0.914
  212    HD2  LYS  30           HD2      LYS  30  12.154  11.746  -0.118
  213    HD3  LYS  30           HD3      LYS  30  12.580  12.771   1.254
  214    HE2  LYS  30           HE2      LYS  30  15.003  12.415   0.561
  215    HE3  LYS  30           HE3      LYS  30  14.362  11.756  -0.944
  216    HZ1  LYS  30           HZ1      LYS  30  14.848  14.060  -1.251
  217    HZ2  LYS  30           HZ2      LYS  30  13.949  14.498   0.115
  218    HZ3  LYS  30           HZ3      LYS  30  13.166  13.880  -1.251
  219    H    THR  31           H        THR  31  10.138   7.298   1.893
  220    HA   THR  31           HA       THR  31  12.288   5.287   1.900
  221    HB   THR  31           HB       THR  31  10.516   4.406   3.780
  222    HG1  THR  31           HG1      THR  31  10.545   7.235   3.954
  223   HG21  THR  31          HG21      THR  31  12.333   4.520   5.023
  224   HG22  THR  31          HG22      THR  31  12.205   6.277   5.091
  225   HG23  THR  31          HG23      THR  31  13.107   5.508   3.785
  226    H    THR  32           H        THR  32   8.808   5.749   1.465
  227    HA   THR  32           HA       THR  32   8.261   3.039   0.795
  228    HB   THR  32           HB       THR  32   6.617   5.429  -0.025
  229    HG1  THR  32           HG1      THR  32   6.847   4.175   2.494
  230   HG21  THR  32          HG21      THR  32   5.394   3.741  -0.862
  231   HG22  THR  32          HG22      THR  32   4.852   3.606   0.811
  232   HG23  THR  32          HG23      THR  32   6.118   2.538   0.206
  233    HA   PRO  33           HA       PRO  33  10.026   3.448  -3.344
  234    HB2  PRO  33           HB2      PRO  33   9.856   0.828  -3.994
  235    HB3  PRO  33           HB3      PRO  33  11.124   1.466  -2.941
  236    HG2  PRO  33           HG2      PRO  33   8.578   0.068  -2.209
  237    HG3  PRO  33           HG3      PRO  33  10.208  -0.158  -1.547
  238    HD2  PRO  33           HD2      PRO  33   8.308   1.316  -0.292
  239    HD3  PRO  33           HD3      PRO  33  10.041   1.680  -0.171
  240    H    GLU  34           H        GLU  34   6.920   2.342  -2.359
  241    HA   GLU  34           HA       GLU  34   5.832   1.730  -4.903
  242    HB2  GLU  34           HB2      GLU  34   4.846   2.057  -2.160
  243    HB3  GLU  34           HB3      GLU  34   3.679   2.515  -3.393
  244    HG2  GLU  34           HG2      GLU  34   3.237   0.271  -2.996
  245    HG3  GLU  34           HG3      GLU  34   4.205   0.260  -4.470
  246    H    CYS  35           H        CYS  35   6.754   4.678  -3.531
  247    HA   CYS  35           HA       CYS  35   4.791   6.250  -5.004
  248    HB2  CYS  35           HB2      CYS  35   7.088   7.308  -3.366
  249    HB3  CYS  35           HB3      CYS  35   5.605   8.142  -3.820
  250    H    GLY  36           H        GLY  36   6.985   4.601  -6.283
  251    HA2  GLY  36           HA2      GLY  36   8.623   6.677  -7.520
  252    HA3  GLY  36           HA3      GLY  36   8.845   4.946  -7.689
  253    HA   PRO  37           HA       PRO  37   6.414   5.018 -11.385
  254    HB2  PRO  37           HB2      PRO  37   4.456   3.196 -11.201
  255    HB3  PRO  37           HB3      PRO  37   6.163   2.738 -11.161
  256    HG2  PRO  37           HG2      PRO  37   4.205   2.955  -8.927
  257    HG3  PRO  37           HG3      PRO  37   5.522   1.796  -9.159
  258    HD2  PRO  37           HD2      PRO  37   5.610   4.052  -7.528
  259    HD3  PRO  37           HD3      PRO  37   7.015   3.137  -8.101
  260    H    THR  38           H        THR  38   3.920   4.902  -8.823
  261    HA   THR  38           HA       THR  38   2.281   6.732 -10.434
  262    HB   THR  38           HB       THR  38   0.963   4.877  -9.860
  263    HG1  THR  38           HG1      THR  38  -0.581   5.740  -8.575
  264   HG21  THR  38          HG21      THR  38   2.072   5.032  -7.072
  265   HG22  THR  38          HG22      THR  38   2.373   3.769  -8.265
  266   HG23  THR  38          HG23      THR  38   0.759   3.972  -7.585
  267    H    GLY  39           H        GLY  39   3.830   6.370  -7.303
  268    HA2  GLY  39           HA2      GLY  39   4.521   8.077  -5.871
  269    HA3  GLY  39           HA3      GLY  39   3.665   9.236  -6.882
  270    H    TYR  40           H        TYR  40   1.511   6.858  -6.436
  271    HA   TYR  40           HA       TYR  40   0.338   8.117  -4.051
  272    HB2  TYR  40           HB2      TYR  40  -0.930   6.872  -6.493
  273    HB3  TYR  40           HB3      TYR  40  -1.838   7.220  -5.030
  274    HD1  TYR  40           HD1      TYR  40   0.715   9.135  -6.989
  275    HD2  TYR  40           HD2      TYR  40  -3.207   9.046  -5.342
  276    HE1  TYR  40           HE1      TYR  40   0.338  11.430  -7.781
  277    HE2  TYR  40           HE2      TYR  40  -3.595  11.342  -6.132
  278    HH   TYR  40           HH       TYR  40  -2.045  12.799  -8.390
  279    H    VAL  41           H        VAL  41   0.103   6.826  -2.296
  280    HA   VAL  41           HA       VAL  41   0.296   3.918  -2.734
  281    HB   VAL  41           HB       VAL  41   1.291   3.697  -0.533
  282   HG11  VAL  41          HG11      VAL  41   2.597   5.629  -2.422
  283   HG12  VAL  41          HG12      VAL  41   2.888   3.900  -2.236
  284   HG13  VAL  41          HG13      VAL  41   3.420   5.023  -0.985
  285   HG21  VAL  41          HG21      VAL  41   0.579   6.560  -0.340
  286   HG22  VAL  41          HG22      VAL  41   2.115   6.079   0.381
  287   HG23  VAL  41          HG23      VAL  41   0.616   5.313   0.907
  288    H    GLU  42           H        GLU  42  -1.248   2.642  -2.013
  289    HA   GLU  42           HA       GLU  42  -3.477   3.824  -0.511
  290    HB2  GLU  42           HB2      GLU  42  -4.622   1.636  -1.275
  291    HB3  GLU  42           HB3      GLU  42  -4.329   2.881  -2.474
  292    HG2  GLU  42           HG2      GLU  42  -2.920   1.603  -3.640
  293    HG3  GLU  42           HG3      GLU  42  -2.152   0.960  -2.191
  294    H    LYS  43           H        LYS  43  -4.689   2.046   0.818
  295    HA   LYS  43           HA       LYS  43  -2.690   0.627   2.452
  296    HB2  LYS  43           HB2      LYS  43  -4.328   2.691   3.276
  297    HB3  LYS  43           HB3      LYS  43  -5.204   1.261   3.803
  298    HG2  LYS  43           HG2      LYS  43  -3.444   0.552   5.179
  299    HG3  LYS  43           HG3      LYS  43  -2.294   1.649   4.412
  300    HD2  LYS  43           HD2      LYS  43  -3.044   3.468   5.577
  301    HD3  LYS  43           HD3      LYS  43  -4.685   2.835   5.720
  302    HE2  LYS  43           HE2      LYS  43  -4.086   2.454   7.855
  303    HE3  LYS  43           HE3      LYS  43  -3.319   1.017   7.183
  304    HZ1  LYS  43           HZ1      LYS  43  -2.116   3.440   8.236
  305    HZ2  LYS  43           HZ2      LYS  43  -1.385   2.807   6.847
  306    HZ3  LYS  43           HZ3      LYS  43  -1.533   1.853   8.236
  307    H    ILE  44           H        ILE  44  -2.892  -1.358   1.492
  308    HA   ILE  44           HA       ILE  44  -5.556  -2.572   1.341
  309    HB   ILE  44           HB       ILE  44  -4.430  -4.378   0.066
  310   HG12  ILE  44          HG12      ILE  44  -2.038  -3.176  -0.731
  311   HG13  ILE  44          HG13      ILE  44  -2.065  -2.983   1.018
  312   HG21  ILE  44          HG21      ILE  44  -5.406  -2.869  -1.356
  313   HG22  ILE  44          HG22      ILE  44  -3.725  -2.771  -1.881
  314   HG23  ILE  44          HG23      ILE  44  -4.389  -1.534  -0.814
  315   HD11  ILE  44          HD11      ILE  44  -2.543  -5.445   1.166
  316   HD12  ILE  44          HD12      ILE  44  -0.943  -5.001   0.572
  317   HD13  ILE  44          HD13      ILE  44  -2.188  -5.529  -0.560
  318    H    THR  45           H        THR  45  -6.187  -4.220   2.614
  319    HA   THR  45           HA       THR  45  -4.298  -5.126   4.672
  320    HB   THR  45           HB       THR  45  -7.280  -5.526   4.733
  321    HG1  THR  45           HG1      THR  45  -5.813  -3.267   5.620
  322   HG21  THR  45          HG21      THR  45  -5.894  -6.735   6.390
  323   HG22  THR  45          HG22      THR  45  -7.031  -5.593   7.106
  324   HG23  THR  45          HG23      THR  45  -5.321  -5.177   6.986
  325    H    CYS  46           H        CYS  46  -3.782  -7.244   4.921
  326    HA   CYS  46           HA       CYS  46  -4.608  -9.042   2.791
  327    HB2  CYS  46           HB2      CYS  46  -2.489  -9.261   4.933
  328    HB3  CYS  46           HB3      CYS  46  -2.871 -10.567   3.826
  329    H    SER  47           H        SER  47  -6.236 -10.399   3.018
  330    HA   SER  47           HA       SER  47  -7.799 -10.747   5.255
  331    HB2  SER  47           HB2      SER  47  -8.628 -11.462   3.120
  332    HB3  SER  47           HB3      SER  47  -7.303 -12.609   2.924
  333    HG   SER  47           HG       SER  47  -8.520 -14.005   3.891
  334    H    SER  48           H        SER  48  -4.804 -12.283   4.405
  335    HA   SER  48           HA       SER  48  -5.026 -14.280   6.495
  336    HB2  SER  48           HB2      SER  48  -3.274 -13.804   4.187
  337    HB3  SER  48           HB3      SER  48  -2.423 -14.390   5.616
  338    HG   SER  48           HG       SER  48  -3.966 -15.754   3.913
  339    H    SER  49           H        SER  49  -4.923 -13.421   8.448
  340    HA   SER  49           HA       SER  49  -3.911 -12.682  10.360
  341    HB2  SER  49           HB2      SER  49  -1.654 -12.648   8.506
  342    HB3  SER  49           HB3      SER  49  -1.565 -11.353   9.696
  343    HG   SER  49           HG       SER  49  -1.270 -14.054  10.018
  344    H    LYS  50           H        LYS  50  -5.248 -10.995   8.021
  345    HA   LYS  50           HA       LYS  50  -5.803  -8.802   7.624
  346    HB2  LYS  50           HB2      LYS  50  -6.226  -9.437  10.459
  347    HB3  LYS  50           HB3      LYS  50  -6.134  -7.713  10.125
  348    HG2  LYS  50           HG2      LYS  50  -7.969  -9.625   8.699
  349    HG3  LYS  50           HG3      LYS  50  -8.434  -8.627  10.078
  350    HD2  LYS  50           HD2      LYS  50  -7.863  -6.612   8.793
  351    HD3  LYS  50           HD3      LYS  50  -7.435  -7.625   7.412
  352    HE2  LYS  50           HE2      LYS  50  -9.838  -8.555   7.664
  353    HE3  LYS  50           HE3      LYS  50 -10.128  -7.097   8.611
  354    HZ1  LYS  50           HZ1      LYS  50 -10.025  -5.792   6.796
  355    HZ2  LYS  50           HZ2      LYS  50 -10.436  -7.215   5.979
  356    HZ3  LYS  50           HZ3      LYS  50  -8.822  -6.713   6.044
  357    H    ARG  51           H        ARG  51  -3.576  -8.437   6.834
  358    HA   ARG  51           HA       ARG  51  -2.100  -6.602   8.595
  359    HB2  ARG  51           HB2      ARG  51  -1.234  -8.913   7.224
  360    HB3  ARG  51           HB3      ARG  51  -0.480  -7.545   6.432
  361    HG2  ARG  51           HG2      ARG  51   0.390  -6.787   8.598
  362    HG3  ARG  51           HG3      ARG  51  -0.343  -8.197   9.366
  363    HD2  ARG  51           HD2      ARG  51   1.646  -8.393   7.115
  364    HD3  ARG  51           HD3      ARG  51   2.114  -8.388   8.815
  365    HE   ARG  51           HE       ARG  51   0.131 -10.365   8.169
  366   HH11  ARG  51          HH11      ARG  51   3.550  -9.674   8.280
  367   HH12  ARG  51          HH12      ARG  51   4.010 -11.339   8.402
  368   HH21  ARG  51          HH21      ARG  51   0.734 -12.555   8.329
  369   HH22  ARG  51          HH22      ARG  51   2.411 -12.975   8.429
  370    H    ASN  52           H        ASN  52  -2.167  -4.566   8.024
  371    HA   ASN  52           HA       ASN  52  -3.030  -3.811   5.355
  372    HB2  ASN  52           HB2      ASN  52  -3.170  -1.535   6.272
  373    HB3  ASN  52           HB3      ASN  52  -4.040  -2.685   7.283
  374   HD21  ASN  52          HD21      ASN  52  -3.127  -3.313   9.275
  375   HD22  ASN  52          HD22      ASN  52  -1.957  -2.321  10.071
  376    H    GLU  53           H        GLU  53  -1.497  -3.802   3.846
  377    HA   GLU  53           HA       GLU  53   1.186  -2.844   4.534
  378    HB2  GLU  53           HB2      GLU  53   0.121  -4.816   2.680
  379    HB3  GLU  53           HB3      GLU  53   1.238  -3.714   1.892
  380    HG2  GLU  53           HG2      GLU  53   1.779  -5.445   4.290
  381    HG3  GLU  53           HG3      GLU  53   2.445  -5.625   2.668
  382    H    PHE  54           H        PHE  54   2.300  -1.522   2.849
  383    HA   PHE  54           HA       PHE  54   0.467   0.566   1.905
  384    HB2  PHE  54           HB2      PHE  54   3.462   0.623   2.348
  385    HB3  PHE  54           HB3      PHE  54   2.507   1.980   1.759
  386    HD1  PHE  54           HD1      PHE  54   0.515   2.696   3.291
  387    HD2  PHE  54           HD2      PHE  54   3.868   0.429   4.604
  388    HE1  PHE  54           HE1      PHE  54   0.073   3.391   5.609
  389    HE2  PHE  54           HE2      PHE  54   3.432   1.119   6.925
  390    HZ   PHE  54           HZ       PHE  54   1.532   2.602   7.430
  391    H    LYS  55           H        LYS  55  -0.221  -0.145  -0.060
  392    HA   LYS  55           HA       LYS  55   1.795  -0.936  -2.041
  393    HB2  LYS  55           HB2      LYS  55  -0.938  -1.718  -1.491
  394    HB3  LYS  55           HB3      LYS  55  -0.754  -1.224  -3.168
  395    HG2  LYS  55           HG2      LYS  55   1.381  -2.793  -2.990
  396    HG3  LYS  55           HG3      LYS  55   0.398  -3.540  -1.729
  397    HD2  LYS  55           HD2      LYS  55  -0.479  -4.713  -3.438
  398    HD3  LYS  55           HD3      LYS  55  -1.431  -3.253  -3.711
  399    HE2  LYS  55           HE2      LYS  55   1.237  -3.257  -4.945
  400    HE3  LYS  55           HE3      LYS  55   0.116  -4.455  -5.587
  401    HZ1  LYS  55           HZ1      LYS  55   0.223  -1.964  -6.465
  402    HZ2  LYS  55           HZ2      LYS  55  -0.928  -1.761  -5.240
  403    HZ3  LYS  55           HZ3      LYS  55  -1.201  -2.877  -6.482
  404    H    SER  56           H        SER  56   1.006  -0.270  -4.379
  405    HA   SER  56           HA       SER  56   0.381   2.612  -4.313
  406    HB2  SER  56           HB2      SER  56   2.018   3.071  -5.896
  407    HB3  SER  56           HB3      SER  56   2.792   1.782  -4.977
  408    HG   SER  56           HG       SER  56   2.997   1.206  -7.082
  409    H    CYS  57           H        CYS  57  -1.171   3.353  -5.716
  410    HA   CYS  57           HA       CYS  57  -2.182   1.448  -7.714
  411    HB2  CYS  57           HB2      CYS  57  -4.364   1.525  -7.007
  412    HB3  CYS  57           HB3      CYS  57  -3.544   1.663  -5.465
  413    H    ARG  58           H        ARG  58  -3.885   2.625  -9.149
  414    HA   ARG  58           HA       ARG  58  -2.525   4.979 -10.176
  415    HB2  ARG  58           HB2      ARG  58  -4.982   3.835 -11.443
  416    HB3  ARG  58           HB3      ARG  58  -3.580   4.579 -12.195
  417    HG2  ARG  58           HG2      ARG  58  -2.249   2.590 -11.681
  418    HG3  ARG  58           HG3      ARG  58  -3.668   1.841 -10.948
  419    HD2  ARG  58           HD2      ARG  58  -3.597   0.954 -13.111
  420    HD3  ARG  58           HD3      ARG  58  -4.812   2.228 -13.201
  421    HE   ARG  58           HE       ARG  58  -2.327   3.309 -13.909
  422   HH11  ARG  58          HH11      ARG  58  -4.684   1.041 -15.125
  423   HH12  ARG  58          HH12      ARG  58  -4.282   1.321 -16.785
  424   HH21  ARG  58          HH21      ARG  58  -1.796   3.679 -16.092
  425   HH22  ARG  58          HH22      ARG  58  -2.642   2.819 -17.335
  426    H    SER  59           H        SER  59  -3.157   6.977  -9.730
  427    HA   SER  59           HA       SER  59  -5.744   7.388  -8.442
  428    HB2  SER  59           HB2      SER  59  -3.232   8.411  -7.930
  429    HB3  SER  59           HB3      SER  59  -4.043   9.747  -8.746
  430    HG   SER  59           HG       SER  59  -5.102   8.320  -6.532
  431    H    ALA  60           H        ALA  60  -4.123   7.973 -11.435
  432    HA   ALA  60           HA       ALA  60  -5.491  10.181 -12.425
  433    HB1  ALA  60           HB1      ALA  60  -3.532   9.082 -13.491
  434    HB2  ALA  60           HB2      ALA  60  -4.843   9.446 -14.613
  435    HB3  ALA  60           HB3      ALA  60  -4.607   7.795 -14.039
  436    H    LEU  61           H        LEU  61  -6.637   6.982 -11.839
  437    HA   LEU  61           HA       LEU  61  -9.095   7.563 -13.351
  438    HB2  LEU  61           HB2      LEU  61  -7.768   4.967 -12.612
  439    HB3  LEU  61           HB3      LEU  61  -9.448   5.038 -13.108
  440    HG   LEU  61           HG       LEU  61  -7.880   4.406 -14.931
  441   HD11  LEU  61          HD11      LEU  61  -8.923   5.737 -16.605
  442   HD12  LEU  61          HD12      LEU  61  -9.244   7.036 -15.456
  443   HD13  LEU  61          HD13      LEU  61 -10.098   5.500 -15.312
  444   HD21  LEU  61          HD21      LEU  61  -6.996   7.252 -15.067
  445   HD22  LEU  61          HD22      LEU  61  -6.249   5.807 -15.750
  446   HD23  LEU  61          HD23      LEU  61  -6.140   6.123 -14.017
  447    H    MET  62           H        MET  62  -7.758   6.469 -10.297
  448    HA   MET  62           HA       MET  62 -10.241   5.955  -9.029
  449    HB2  MET  62           HB2      MET  62  -7.492   6.516  -7.914
  450    HB3  MET  62           HB3      MET  62  -8.874   6.084  -6.916
  451    HG2  MET  62           HG2      MET  62  -7.704   4.388  -9.107
  452    HG3  MET  62           HG3      MET  62  -7.427   4.170  -7.380
  453    HE1  MET  62           HE1      MET  62  -9.027   3.301 -10.318
  454    HE2  MET  62           HE2      MET  62 -10.685   3.863 -10.109
  455    HE3  MET  62           HE3      MET  62 -10.296   2.158  -9.879
  456    H    GLU  63           H        GLU  63  -7.993   8.709  -8.866
  457    HA   GLU  63           HA       GLU  63 -10.213  10.512  -8.423
  458    HB2  GLU  63           HB2      GLU  63  -9.158  11.503  -6.383
  459    HB3  GLU  63           HB3      GLU  63  -9.807   9.887  -6.146
  460    HG2  GLU  63           HG2      GLU  63  -7.002   9.909  -6.941
  461    HG3  GLU  63           HG3      GLU  63  -7.314  10.735  -5.415
  462    H    GLN  64           H        GLN  64  -9.587  11.449 -10.374
  463    HA   GLN  64           HA       GLN  64  -7.004  12.868 -10.316
  464    HB2  GLN  64           HB2      GLN  64  -7.509  11.055 -12.126
  465    HB3  GLN  64           HB3      GLN  64  -8.500  12.311 -12.854
  466    HG2  GLN  64           HG2      GLN  64  -6.335  13.752 -12.591
  467    HG3  GLN  64           HG3      GLN  64  -5.546  12.177 -12.528
  468   HE21  GLN  64          HE21      GLN  64  -7.543  14.299 -14.470
  469   HE22  GLN  64          HE22      GLN  64  -7.180  13.566 -15.991
  470    H    ARG  65           H        ARG  65  -6.952  15.031 -10.799
  471    HA   ARG  65           HA       ARG  65  -9.520  16.405 -10.674
  472    HB2  ARG  65           HB2      ARG  65  -8.067  18.448 -10.388
  473    HB3  ARG  65           HB3      ARG  65  -7.918  17.234  -9.124
  474    HG2  ARG  65           HG2      ARG  65  -6.022  16.971 -11.357
  475    HG3  ARG  65           HG3      ARG  65  -5.829  18.409 -10.352
  476    HD2  ARG  65           HD2      ARG  65  -6.163  16.507  -8.456
  477    HD3  ARG  65           HD3      ARG  65  -5.361  15.572  -9.718
  478    HE   ARG  65           HE       ARG  65  -4.206  17.642  -8.092
  479   HH11  ARG  65          HH11      ARG  65  -3.974  15.917 -11.117
  480   HH12  ARG  65          HH12      ARG  65  -2.286  16.243 -11.317
  481   HH21  ARG  65          HH21      ARG  65  -1.986  18.074  -8.354
  482   HH22  ARG  65          HH22      ARG  65  -1.156  17.468  -9.749
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  22.691 -14.724   2.178
    2    H2   GLY   1           H2       GLY   1  23.620 -15.009   0.793
    3    H3   GLY   1           H3       GLY   1  23.899 -15.907   2.198
    4    HA2  GLY   1           HA2      GLY   1  21.854 -16.226   0.161
    5    HA3  GLY   1           HA3      GLY   1  22.657 -17.443   1.143
    6    H    SER   2           H        SER   2  21.237 -18.509   2.336
    7    HA   SER   2           HA       SER   2  18.642 -17.617   2.924
    8    HB2  SER   2           HB2      SER   2  19.860 -20.023   3.037
    9    HB3  SER   2           HB3      SER   2  19.848 -19.616   4.753
   10    HG   SER   2           HG       SER   2  17.677 -19.598   4.752
   11    H    GLY   3           H        GLY   3  18.428 -15.728   4.008
   12    HA2  GLY   3           HA2      GLY   3  19.443 -15.694   6.769
   13    HA3  GLY   3           HA3      GLY   3  19.727 -14.307   5.731
   14    H    MET   4           H        MET   4  18.081 -12.871   5.324
   15    HA   MET   4           HA       MET   4  15.453 -13.451   6.490
   16    HB2  MET   4           HB2      MET   4  17.202 -11.074   7.098
   17    HB3  MET   4           HB3      MET   4  15.461 -11.036   7.340
   18    HG2  MET   4           HG2      MET   4  15.535 -12.427   9.132
   19    HG3  MET   4           HG3      MET   4  16.954 -13.291   8.543
   20    HE1  MET   4           HE1      MET   4  17.083  -9.007   9.729
   21    HE2  MET   4           HE2      MET   4  16.248  -9.821  11.052
   22    HE3  MET   4           HE3      MET   4  15.642  -9.970   9.402
   23    H    LYS   5           H        LYS   5  13.998 -13.206   4.940
   24    HA   LYS   5           HA       LYS   5  14.561 -11.455   2.679
   25    HB2  LYS   5           HB2      LYS   5  12.289 -13.396   3.145
   26    HB3  LYS   5           HB3      LYS   5  12.582 -12.510   1.654
   27    HG2  LYS   5           HG2      LYS   5  14.635 -14.356   2.822
   28    HG3  LYS   5           HG3      LYS   5  13.348 -14.936   1.762
   29    HD2  LYS   5           HD2      LYS   5  14.209 -13.893  -0.081
   30    HD3  LYS   5           HD3      LYS   5  14.937 -12.591   0.863
   31    HE2  LYS   5           HE2      LYS   5  15.968 -15.396   1.066
   32    HE3  LYS   5           HE3      LYS   5  16.474 -14.346  -0.257
   33    HZ1  LYS   5           HZ1      LYS   5  17.228 -12.729   1.402
   34    HZ2  LYS   5           HZ2      LYS   5  18.032 -14.210   1.555
   35    HZ3  LYS   5           HZ3      LYS   5  16.805 -13.798   2.643
   36    H    GLU   6           H        GLU   6  13.421  -9.646   2.168
   37    HA   GLU   6           HA       GLU   6  11.455  -8.738   4.164
   38    HB2  GLU   6           HB2      GLU   6  13.523  -7.298   2.551
   39    HB3  GLU   6           HB3      GLU   6  12.082  -6.434   3.066
   40    HG2  GLU   6           HG2      GLU   6  12.588  -7.003   5.396
   41    HG3  GLU   6           HG3      GLU   6  14.052  -7.830   4.865
   42    H    PHE   7           H        PHE   7   9.533  -9.372   3.316
   43    HA   PHE   7           HA       PHE   7   8.789  -8.171   0.744
   44    HB2  PHE   7           HB2      PHE   7   7.285 -10.413   0.657
   45    HB3  PHE   7           HB3      PHE   7   8.856 -10.269  -0.120
   46    HD1  PHE   7           HD1      PHE   7   7.773 -10.878   3.400
   47    HD2  PHE   7           HD2      PHE   7  10.022 -12.233   0.052
   48    HE1  PHE   7           HE1      PHE   7   8.592 -12.782   4.726
   49    HE2  PHE   7           HE2      PHE   7  10.844 -14.141   1.371
   50    HZ   PHE   7           HZ       PHE   7  10.130 -14.416   3.711
   51    HA   PRO   8           HA       PRO   8   5.062  -7.063   2.852
   52    HB2  PRO   8           HB2      PRO   8   3.297  -6.845   0.870
   53    HB3  PRO   8           HB3      PRO   8   4.738  -5.820   0.906
   54    HG2  PRO   8           HG2      PRO   8   4.206  -8.286  -0.701
   55    HG3  PRO   8           HG3      PRO   8   4.988  -6.777  -1.198
   56    HD2  PRO   8           HD2      PRO   8   6.326  -9.081  -0.448
   57    HD3  PRO   8           HD3      PRO   8   7.024  -7.450  -0.424
   58    H    CYS   9           H        CYS   9   2.453  -7.634   2.466
   59    HA   CYS   9           HA       CYS   9   2.335 -10.512   3.030
   60    HB2  CYS   9           HB2      CYS   9   0.346 -10.099   4.303
   61    HB3  CYS   9           HB3      CYS   9   1.549  -8.920   4.802
   62    H    TRP  10           H        TRP  10   1.139  -8.021   0.916
   63    HA   TRP  10           HA       TRP  10  -1.025  -9.499  -0.175
   64    HB2  TRP  10           HB2      TRP  10  -0.865  -7.797  -2.037
   65    HB3  TRP  10           HB3      TRP  10  -1.090  -7.140  -0.424
   66    HD1  TRP  10           HD1      TRP  10   0.940  -5.744   0.633
   67    HE1  TRP  10           HE1      TRP  10   2.991  -4.625  -0.448
   68    HE3  TRP  10           HE3      TRP  10   0.835  -8.082  -3.896
   69    HZ2  TRP  10           HZ2      TRP  10   4.385  -4.726  -2.904
   70    HZ3  TRP  10           HZ3      TRP  10   2.560  -7.519  -5.564
   71    HH2  TRP  10           HH2      TRP  10   4.298  -5.875  -5.074
   72    H    LEU  11           H        LEU  11   2.379  -9.534  -0.696
   73    HA   LEU  11           HA       LEU  11   2.273 -10.680  -3.321
   74    HB2  LEU  11           HB2      LEU  11   4.423 -10.164  -1.312
   75    HB3  LEU  11           HB3      LEU  11   4.745 -11.245  -2.655
   76    HG   LEU  11           HG       LEU  11   3.834  -8.379  -2.930
   77   HD11  LEU  11          HD11      LEU  11   5.951  -7.789  -2.626
   78   HD12  LEU  11          HD12      LEU  11   6.409  -8.784  -4.007
   79   HD13  LEU  11          HD13      LEU  11   6.420  -9.472  -2.384
   80   HD21  LEU  11          HD21      LEU  11   3.104  -9.538  -4.837
   81   HD22  LEU  11          HD22      LEU  11   4.570 -10.518  -4.909
   82   HD23  LEU  11          HD23      LEU  11   4.635  -8.802  -5.312
   83    H    VAL  12           H        VAL  12   1.914 -11.884  -0.144
   84    HA   VAL  12           HA       VAL  12   2.093 -14.633  -1.177
   85    HB   VAL  12           HB       VAL  12   4.016 -14.183   0.285
   86   HG11  VAL  12          HG11      VAL  12   2.385 -12.600   1.726
   87   HG12  VAL  12          HG12      VAL  12   3.900 -13.262   2.339
   88   HG13  VAL  12          HG13      VAL  12   2.372 -14.052   2.727
   89   HG21  VAL  12          HG21      VAL  12   2.404 -15.966   1.993
   90   HG22  VAL  12          HG22      VAL  12   3.953 -16.247   1.196
   91   HG23  VAL  12          HG23      VAL  12   2.453 -16.376   0.277
   92    H    GLU  13           H        GLU  13   0.028 -12.347  -0.090
   93    HA   GLU  13           HA       GLU  13  -1.887 -14.362   0.826
   94    HB2  GLU  13           HB2      GLU  13  -1.419 -11.741   2.264
   95    HB3  GLU  13           HB3      GLU  13  -2.672 -12.911   2.642
   96    HG2  GLU  13           HG2      GLU  13  -1.296 -14.137   3.873
   97    HG3  GLU  13           HG3      GLU  13  -0.029 -14.098   2.651
   98    H    GLU  14           H        GLU  14  -4.110 -13.104   1.171
   99    HA   GLU  14           HA       GLU  14  -4.597 -11.725  -1.363
  100    HB2  GLU  14           HB2      GLU  14  -6.791 -12.450   0.530
  101    HB3  GLU  14           HB3      GLU  14  -6.805 -12.408  -1.226
  102    HG2  GLU  14           HG2      GLU  14  -5.245 -14.418  -1.124
  103    HG3  GLU  14           HG3      GLU  14  -5.686 -14.525   0.580
  104    H    PHE  15           H        PHE  15  -4.641  -9.584  -1.377
  105    HA   PHE  15           HA       PHE  15  -5.170  -8.163   1.131
  106    HB2  PHE  15           HB2      PHE  15  -3.982  -6.309   0.232
  107    HB3  PHE  15           HB3      PHE  15  -3.035  -7.741  -0.153
  108    HD1  PHE  15           HD1      PHE  15  -5.238  -5.139  -1.518
  109    HD2  PHE  15           HD2      PHE  15  -2.693  -8.430  -2.414
  110    HE1  PHE  15           HE1      PHE  15  -5.249  -4.495  -3.891
  111    HE2  PHE  15           HE2      PHE  15  -2.698  -7.791  -4.790
  112    HZ   PHE  15           HZ       PHE  15  -3.978  -5.822  -5.530
  113    H    VAL  16           H        VAL  16  -6.443  -6.230   1.113
  114    HA   VAL  16           HA       VAL  16  -8.415  -6.088  -1.054
  115    HB   VAL  16           HB       VAL  16 -10.137  -5.561   0.769
  116   HG11  VAL  16          HG11      VAL  16 -10.647  -7.511  -0.279
  117   HG12  VAL  16          HG12      VAL  16 -10.234  -8.168   1.305
  118   HG13  VAL  16          HG13      VAL  16  -9.050  -8.208  -0.002
  119   HG21  VAL  16          HG21      VAL  16  -8.596  -7.299   2.601
  120   HG22  VAL  16          HG22      VAL  16  -9.724  -5.990   2.956
  121   HG23  VAL  16          HG23      VAL  16  -8.070  -5.621   2.468
  122    H    VAL  17           H        VAL  17  -8.361  -4.105  -1.882
  123    HA   VAL  17           HA       VAL  17  -7.022  -1.929  -0.753
  124    HB   VAL  17           HB       VAL  17  -9.257  -1.765  -2.778
  125   HG11  VAL  17          HG11      VAL  17  -7.197   0.119  -1.779
  126   HG12  VAL  17          HG12      VAL  17  -8.844   0.426  -2.334
  127   HG13  VAL  17          HG13      VAL  17  -7.555   0.149  -3.506
  128   HG21  VAL  17          HG21      VAL  17  -6.982  -3.271  -3.047
  129   HG22  VAL  17          HG22      VAL  17  -6.511  -1.736  -3.776
  130   HG23  VAL  17          HG23      VAL  17  -7.927  -2.599  -4.375
  131    H    ALA  18           H        ALA  18  -7.662  -1.473   1.333
  132    HA   ALA  18           HA       ALA  18 -10.462  -0.907   1.885
  133    HB1  ALA  18           HB1      ALA  18  -9.948  -1.052   4.115
  134    HB2  ALA  18           HB2      ALA  18  -8.312  -0.432   3.891
  135    HB3  ALA  18           HB3      ALA  18  -8.697  -2.091   3.433
  136    H    GLU  19           H        GLU  19  -7.477   0.762   1.292
  137    HA   GLU  19           HA       GLU  19  -8.912   3.316   1.381
  138    HB2  GLU  19           HB2      GLU  19  -6.118   2.980   2.476
  139    HB3  GLU  19           HB3      GLU  19  -7.124   4.418   2.545
  140    HG2  GLU  19           HG2      GLU  19  -8.646   2.477   3.796
  141    HG3  GLU  19           HG3      GLU  19  -7.000   2.151   4.335
  142    H    GLU  20           H        GLU  20  -8.767   4.192  -0.590
  143    HA   GLU  20           HA       GLU  20  -7.213   3.312  -2.682
  144    HB2  GLU  20           HB2      GLU  20  -7.467   5.782  -3.519
  145    HB3  GLU  20           HB3      GLU  20  -8.878   4.747  -3.375
  146    HG2  GLU  20           HG2      GLU  20  -9.755   5.942  -1.670
  147    HG3  GLU  20           HG3      GLU  20  -8.177   6.355  -1.000
  148    H    CYS  21           H        CYS  21  -5.501   4.687  -3.855
  149    HA   CYS  21           HA       CYS  21  -3.392   5.158  -1.907
  150    HB2  CYS  21           HB2      CYS  21  -1.845   4.997  -3.764
  151    HB3  CYS  21           HB3      CYS  21  -2.918   3.615  -3.747
  152    H    SER  22           H        SER  22  -2.323   7.036  -1.640
  153    HA   SER  22           HA       SER  22  -3.200   9.346  -3.238
  154    HB2  SER  22           HB2      SER  22  -2.552  10.058  -0.490
  155    HB3  SER  22           HB3      SER  22  -3.986  10.445  -1.441
  156    HG   SER  22           HG       SER  22  -3.534   8.361   0.339
  157    HA   PRO  23           HA       PRO  23   0.902  10.771  -3.868
  158    HB2  PRO  23           HB2      PRO  23   0.890  13.170  -2.373
  159    HB3  PRO  23           HB3      PRO  23   0.531  12.988  -4.092
  160    HG2  PRO  23           HG2      PRO  23  -1.325  13.181  -1.776
  161    HG3  PRO  23           HG3      PRO  23  -1.533  13.757  -3.441
  162    HD2  PRO  23           HD2      PRO  23  -2.810  11.580  -2.563
  163    HD3  PRO  23           HD3      PRO  23  -2.166  11.659  -4.216
  164    H    CYS  24           H        CYS  24   2.953  11.138  -2.852
  165    HA   CYS  24           HA       CYS  24   3.030  10.173  -0.072
  166    HB2  CYS  24           HB2      CYS  24   4.997   9.867  -2.339
  167    HB3  CYS  24           HB3      CYS  24   5.379   9.447  -0.679
  168    H    SER  25           H        SER  25   3.698  11.556   1.418
  169    HA   SER  25           HA       SER  25   4.524  14.181   0.839
  170    HB2  SER  25           HB2      SER  25   4.184  12.526   3.258
  171    HB3  SER  25           HB3      SER  25   5.366  13.825   3.412
  172    HG   SER  25           HG       SER  25   2.670  14.102   2.565
  173    H    ASN  26           H        ASN  26   6.638  14.880   2.310
  174    HA   ASN  26           HA       ASN  26   8.837  14.237   0.705
  175    HB2  ASN  26           HB2      ASN  26   8.672  15.480   3.453
  176    HB3  ASN  26           HB3      ASN  26  10.181  15.327   2.558
  177   HD21  ASN  26          HD21      ASN  26  10.703  16.880   1.179
  178   HD22  ASN  26          HD22      ASN  26   9.648  18.135   0.634
  179    H    PHE  27           H        PHE  27   7.594  12.746   3.597
  180    HA   PHE  27           HA       PHE  27   9.985  11.134   3.968
  181    HB2  PHE  27           HB2      PHE  27   7.554  11.728   5.536
  182    HB3  PHE  27           HB3      PHE  27   8.184  10.094   5.717
  183    HD1  PHE  27           HD1      PHE  27  10.773   9.953   6.146
  184    HD2  PHE  27           HD2      PHE  27   8.374  13.388   6.894
  185    HE1  PHE  27           HE1      PHE  27  12.459  10.778   7.737
  186    HE2  PHE  27           HE2      PHE  27  10.056  14.220   8.487
  187    HZ   PHE  27           HZ       PHE  27  12.101  12.914   8.911
  188    H    ARG  28           H        ARG  28   6.627  10.741   2.946
  189    HA   ARG  28           HA       ARG  28   6.565   7.955   2.753
  190    HB2  ARG  28           HB2      ARG  28   5.116  10.049   1.133
  191    HB3  ARG  28           HB3      ARG  28   4.746   8.333   1.071
  192    HG2  ARG  28           HG2      ARG  28   4.719   9.770   3.686
  193    HG3  ARG  28           HG3      ARG  28   3.352   9.908   2.578
  194    HD2  ARG  28           HD2      ARG  28   2.662   8.085   3.748
  195    HD3  ARG  28           HD3      ARG  28   3.632   7.266   2.524
  196    HE   ARG  28           HE       ARG  28   4.975   6.543   4.207
  197   HH11  ARG  28          HH11      ARG  28   3.441   9.497   5.256
  198   HH12  ARG  28          HH12      ARG  28   4.154   9.455   6.832
  199   HH21  ARG  28          HH21      ARG  28   5.914   6.486   6.281
  200   HH22  ARG  28          HH22      ARG  28   5.558   7.746   7.415
  201    H    ALA  29           H        ALA  29   7.331  10.366   0.246
  202    HA   ALA  29           HA       ALA  29   7.834   8.616  -1.851
  203    HB1  ALA  29           HB1      ALA  29   7.745  11.231  -1.740
  204    HB2  ALA  29           HB2      ALA  29   8.683  10.417  -2.992
  205    HB3  ALA  29           HB3      ALA  29   9.493  11.076  -1.571
  206    H    LYS  30           H        LYS  30   9.747   9.292   0.953
  207    HA   LYS  30           HA       LYS  30  12.145   8.120  -0.221
  208    HB2  LYS  30           HB2      LYS  30  11.610   9.312   2.503
  209    HB3  LYS  30           HB3      LYS  30  13.157   8.639   2.009
  210    HG2  LYS  30           HG2      LYS  30  12.973  10.322   0.043
  211    HG3  LYS  30           HG3      LYS  30  11.797  11.129   1.083
  212    HD2  LYS  30           HD2      LYS  30  13.379  11.630   2.701
  213    HD3  LYS  30           HD3      LYS  30  14.470  10.345   2.175
  214    HE2  LYS  30           HE2      LYS  30  15.353  12.537   1.582
  215    HE3  LYS  30           HE3      LYS  30  14.971  11.598   0.139
  216    HZ1  LYS  30           HZ1      LYS  30  13.759  14.043   1.135
  217    HZ2  LYS  30           HZ2      LYS  30  12.686  12.905   0.489
  218    HZ3  LYS  30           HZ3      LYS  30  13.956  13.501  -0.454
  219    H    THR  31           H        THR  31  10.323   7.590   2.804
  220    HA   THR  31           HA       THR  31  11.414   5.058   3.325
  221    HB   THR  31           HB       THR  31   8.658   5.610   4.273
  222    HG1  THR  31           HG1      THR  31  10.866   7.284   4.814
  223   HG21  THR  31          HG21      THR  31   9.606   5.043   6.443
  224   HG22  THR  31          HG22      THR  31  11.205   4.908   5.711
  225   HG23  THR  31          HG23      THR  31   9.925   3.786   5.248
  226    H    THR  32           H        THR  32   8.233   5.919   1.964
  227    HA   THR  32           HA       THR  32   7.683   3.169   1.284
  228    HB   THR  32           HB       THR  32   6.164   5.700   0.633
  229    HG1  THR  32           HG1      THR  32   6.155   5.364   2.823
  230   HG21  THR  32          HG21      THR  32   5.579   2.842   0.105
  231   HG22  THR  32          HG22      THR  32   5.186   4.277  -0.844
  232   HG23  THR  32          HG23      THR  32   4.255   3.894   0.604
  233    HA   PRO  33           HA       PRO  33   9.766   3.774  -2.678
  234    HB2  PRO  33           HB2      PRO  33   9.852   1.180  -3.387
  235    HB3  PRO  33           HB3      PRO  33  10.945   1.860  -2.176
  236    HG2  PRO  33           HG2      PRO  33   8.438   0.271  -1.788
  237    HG3  PRO  33           HG3      PRO  33   9.988   0.139  -0.938
  238    HD2  PRO  33           HD2      PRO  33   7.822   1.453   0.079
  239    HD3  PRO  33           HD3      PRO  33   9.499   1.872   0.481
  240    H    GLU  34           H        GLU  34   6.609   2.888  -1.985
  241    HA   GLU  34           HA       GLU  34   5.865   2.229  -4.715
  242    HB2  GLU  34           HB2      GLU  34   4.467   2.257  -2.075
  243    HB3  GLU  34           HB3      GLU  34   3.501   2.351  -3.542
  244    HG2  GLU  34           HG2      GLU  34   3.763   0.057  -2.676
  245    HG3  GLU  34           HG3      GLU  34   4.366   0.258  -4.320
  246    H    CYS  35           H        CYS  35   6.996   4.776  -4.465
  247    HA   CYS  35           HA       CYS  35   4.700   6.447  -5.199
  248    HB2  CYS  35           HB2      CYS  35   7.051   7.595  -3.715
  249    HB3  CYS  35           HB3      CYS  35   5.454   8.291  -3.951
  250    H    GLY  36           H        GLY  36   7.202   4.943  -6.420
  251    HA2  GLY  36           HA2      GLY  36   8.495   7.146  -7.801
  252    HA3  GLY  36           HA3      GLY  36   8.906   5.447  -7.935
  253    HA   PRO  37           HA       PRO  37   6.352   5.115 -11.537
  254    HB2  PRO  37           HB2      PRO  37   4.443   3.259 -11.175
  255    HB3  PRO  37           HB3      PRO  37   6.162   2.850 -11.183
  256    HG2  PRO  37           HG2      PRO  37   4.290   3.134  -8.884
  257    HG3  PRO  37           HG3      PRO  37   5.639   2.010  -9.105
  258    HD2  PRO  37           HD2      PRO  37   5.712   4.347  -7.600
  259    HD3  PRO  37           HD3      PRO  37   7.126   3.459  -8.194
  260    H    THR  38           H        THR  38   3.896   5.057  -8.936
  261    HA   THR  38           HA       THR  38   2.219   6.817 -10.591
  262    HB   THR  38           HB       THR  38   0.960   4.908 -10.023
  263    HG1  THR  38           HG1      THR  38  -0.666   5.793  -8.933
  264   HG21  THR  38          HG21      THR  38   0.691   4.206  -7.603
  265   HG22  THR  38          HG22      THR  38   2.156   5.138  -7.290
  266   HG23  THR  38          HG23      THR  38   2.200   3.772  -8.406
  267    H    GLY  39           H        GLY  39   3.827   6.525  -7.503
  268    HA2  GLY  39           HA2      GLY  39   4.442   8.234  -6.052
  269    HA3  GLY  39           HA3      GLY  39   3.551   9.370  -7.056
  270    H    TYR  40           H        TYR  40   1.503   6.880  -6.563
  271    HA   TYR  40           HA       TYR  40   0.296   8.126  -4.186
  272    HB2  TYR  40           HB2      TYR  40  -0.944   6.851  -6.626
  273    HB3  TYR  40           HB3      TYR  40  -1.854   7.127  -5.149
  274    HD1  TYR  40           HD1      TYR  40   0.586   9.211  -7.076
  275    HD2  TYR  40           HD2      TYR  40  -3.323   8.875  -5.434
  276    HE1  TYR  40           HE1      TYR  40   0.082  11.497  -7.823
  277    HE2  TYR  40           HE2      TYR  40  -3.839  11.160  -6.178
  278    HH   TYR  40           HH       TYR  40  -2.892  12.721  -8.122
  279    H    VAL  41           H        VAL  41   0.061   6.835  -2.429
  280    HA   VAL  41           HA       VAL  41   0.332   3.930  -2.852
  281    HB   VAL  41           HB       VAL  41   1.363   3.736  -0.668
  282   HG11  VAL  41          HG11      VAL  41   3.420   5.277  -1.187
  283   HG12  VAL  41          HG12      VAL  41   2.557   5.559  -2.699
  284   HG13  VAL  41          HG13      VAL  41   3.022   3.920  -2.242
  285   HG21  VAL  41          HG21      VAL  41   2.157   6.090   0.273
  286   HG22  VAL  41          HG22      VAL  41   0.624   5.360   0.751
  287   HG23  VAL  41          HG23      VAL  41   0.656   6.613  -0.489
  288    H    GLU  42           H        GLU  42  -1.221   2.651  -2.143
  289    HA   GLU  42           HA       GLU  42  -3.433   3.820  -0.609
  290    HB2  GLU  42           HB2      GLU  42  -4.593   1.650  -1.372
  291    HB3  GLU  42           HB3      GLU  42  -4.278   2.880  -2.583
  292    HG2  GLU  42           HG2      GLU  42  -2.880   1.571  -3.726
  293    HG3  GLU  42           HG3      GLU  42  -2.126   0.939  -2.268
  294    H    LYS  43           H        LYS  43  -4.627   2.126   0.770
  295    HA   LYS  43           HA       LYS  43  -2.639   0.676   2.387
  296    HB2  LYS  43           HB2      LYS  43  -4.300   2.730   3.198
  297    HB3  LYS  43           HB3      LYS  43  -5.158   1.292   3.729
  298    HG2  LYS  43           HG2      LYS  43  -3.385   0.606   5.104
  299    HG3  LYS  43           HG3      LYS  43  -2.255   1.727   4.341
  300    HD2  LYS  43           HD2      LYS  43  -2.941   3.472   5.597
  301    HD3  LYS  43           HD3      LYS  43  -4.631   2.969   5.554
  302    HE2  LYS  43           HE2      LYS  43  -4.441   1.693   7.429
  303    HE3  LYS  43           HE3      LYS  43  -2.755   1.285   7.110
  304    HZ1  LYS  43           HZ1      LYS  43  -3.650   3.971   7.996
  305    HZ2  LYS  43           HZ2      LYS  43  -2.061   3.397   7.903
  306    HZ3  LYS  43           HZ3      LYS  43  -3.123   2.766   9.059
  307    H    ILE  44           H        ILE  44  -2.821  -1.320   1.457
  308    HA   ILE  44           HA       ILE  44  -5.480  -2.546   1.293
  309    HB   ILE  44           HB       ILE  44  -4.334  -4.356   0.035
  310   HG12  ILE  44          HG12      ILE  44  -1.956  -3.073  -0.750
  311   HG13  ILE  44          HG13      ILE  44  -1.994  -2.970   1.007
  312   HG21  ILE  44          HG21      ILE  44  -3.684  -2.793  -1.941
  313   HG22  ILE  44          HG22      ILE  44  -4.290  -1.517  -0.885
  314   HG23  ILE  44          HG23      ILE  44  -5.352  -2.838  -1.370
  315   HD11  ILE  44          HD11      ILE  44  -0.830  -4.946   0.411
  316   HD12  ILE  44          HD12      ILE  44  -2.120  -5.449  -0.680
  317   HD13  ILE  44          HD13      ILE  44  -2.396  -5.427   1.061
  318    H    THR  45           H        THR  45  -6.118  -4.120   2.640
  319    HA   THR  45           HA       THR  45  -4.197  -5.048   4.657
  320    HB   THR  45           HB       THR  45  -7.209  -5.253   4.745
  321    HG1  THR  45           HG1      THR  45  -7.238  -3.356   5.790
  322   HG21  THR  45          HG21      THR  45  -6.651  -5.195   7.262
  323   HG22  THR  45          HG22      THR  45  -5.047  -5.715   6.747
  324   HG23  THR  45          HG23      THR  45  -6.458  -6.704   6.370
  325    H    CYS  46           H        CYS  46  -3.737  -7.174   4.943
  326    HA   CYS  46           HA       CYS  46  -4.673  -8.990   2.867
  327    HB2  CYS  46           HB2      CYS  46  -2.462  -9.214   4.916
  328    HB3  CYS  46           HB3      CYS  46  -2.920 -10.529   3.848
  329    H    SER  47           H        SER  47  -6.317 -10.308   3.195
  330    HA   SER  47           HA       SER  47  -7.771 -10.591   5.516
  331    HB2  SER  47           HB2      SER  47  -8.726 -11.318   3.440
  332    HB3  SER  47           HB3      SER  47  -7.435 -12.493   3.189
  333    HG   SER  47           HG       SER  47  -9.602 -12.583   4.977
  334    H    SER  48           H        SER  48  -4.852 -12.186   4.537
  335    HA   SER  48           HA       SER  48  -4.991 -14.168   6.641
  336    HB2  SER  48           HB2      SER  48  -3.941 -15.027   4.730
  337    HB3  SER  48           HB3      SER  48  -3.033 -13.543   4.449
  338    HG   SER  48           HG       SER  48  -2.347 -15.718   5.891
  339    H    SER  49           H        SER  49  -4.813 -13.294   8.589
  340    HA   SER  49           HA       SER  49  -3.730 -12.546  10.457
  341    HB2  SER  49           HB2      SER  49  -1.539 -12.584   8.529
  342    HB3  SER  49           HB3      SER  49  -1.383 -11.268   9.688
  343    HG   SER  49           HG       SER  49  -0.840 -13.817  10.063
  344    H    LYS  50           H        LYS  50  -5.149 -10.870   8.180
  345    HA   LYS  50           HA       LYS  50  -5.673  -8.671   7.767
  346    HB2  LYS  50           HB2      LYS  50  -5.971  -9.249  10.633
  347    HB3  LYS  50           HB3      LYS  50  -5.880  -7.534  10.255
  348    HG2  LYS  50           HG2      LYS  50  -7.769  -9.405   8.858
  349    HG3  LYS  50           HG3      LYS  50  -8.188  -8.549  10.343
  350    HD2  LYS  50           HD2      LYS  50  -7.281  -6.485   8.911
  351    HD3  LYS  50           HD3      LYS  50  -7.822  -7.520   7.589
  352    HE2  LYS  50           HE2      LYS  50  -9.752  -6.371   8.006
  353    HE3  LYS  50           HE3      LYS  50  -9.972  -7.741   9.092
  354    HZ1  LYS  50           HZ1      LYS  50  -8.688  -6.079  10.700
  355    HZ2  LYS  50           HZ2      LYS  50 -10.374  -6.091  10.555
  356    HZ3  LYS  50           HZ3      LYS  50  -9.461  -4.944   9.712
  357    H    ARG  51           H        ARG  51  -3.479  -8.356   6.872
  358    HA   ARG  51           HA       ARG  51  -1.894  -6.523   8.538
  359    HB2  ARG  51           HB2      ARG  51  -1.128  -8.869   7.183
  360    HB3  ARG  51           HB3      ARG  51  -0.404  -7.537   6.305
  361    HG2  ARG  51           HG2      ARG  51   0.535  -6.715   8.459
  362    HG3  ARG  51           HG3      ARG  51  -0.076  -8.185   9.223
  363    HD2  ARG  51           HD2      ARG  51   1.353  -9.560   7.944
  364    HD3  ARG  51           HD3      ARG  51   1.742  -8.251   6.830
  365    HE   ARG  51           HE       ARG  51   2.959  -8.782   9.379
  366   HH11  ARG  51          HH11      ARG  51   2.294  -6.335   6.983
  367   HH12  ARG  51          HH12      ARG  51   3.616  -5.325   7.464
  368   HH21  ARG  51          HH21      ARG  51   4.698  -7.456  10.014
  369   HH22  ARG  51          HH22      ARG  51   4.982  -5.962   9.186
  370    H    ASN  52           H        ASN  52  -1.988  -4.495   7.951
  371    HA   ASN  52           HA       ASN  52  -2.911  -3.770   5.289
  372    HB2  ASN  52           HB2      ASN  52  -3.066  -1.489   6.187
  373    HB3  ASN  52           HB3      ASN  52  -3.909  -2.639   7.223
  374   HD21  ASN  52          HD21      ASN  52  -2.942  -3.252   9.201
  375   HD22  ASN  52          HD22      ASN  52  -1.780  -2.233   9.972
  376    H    GLU  53           H        GLU  53  -1.400  -3.754   3.761
  377    HA   GLU  53           HA       GLU  53   1.284  -2.774   4.409
  378    HB2  GLU  53           HB2      GLU  53   0.193  -4.729   2.531
  379    HB3  GLU  53           HB3      GLU  53   1.350  -3.639   1.783
  380    HG2  GLU  53           HG2      GLU  53   1.806  -5.411   4.170
  381    HG3  GLU  53           HG3      GLU  53   2.498  -5.589   2.558
  382    H    PHE  54           H        PHE  54   2.363  -1.430   2.728
  383    HA   PHE  54           HA       PHE  54   0.480   0.602   1.749
  384    HB2  PHE  54           HB2      PHE  54   3.330   0.698   2.664
  385    HB3  PHE  54           HB3      PHE  54   2.745   1.921   1.541
  386    HD1  PHE  54           HD1      PHE  54   1.555   0.270   4.674
  387    HD2  PHE  54           HD2      PHE  54   2.069   3.886   2.490
  388    HE1  PHE  54           HE1      PHE  54   0.607   1.537   6.558
  389    HE2  PHE  54           HE2      PHE  54   1.122   5.161   4.371
  390    HZ   PHE  54           HZ       PHE  54   0.391   3.986   6.408
  391    H    LYS  55           H        LYS  55  -0.093  -0.132  -0.248
  392    HA   LYS  55           HA       LYS  55   2.063  -0.762  -2.142
  393    HB2  LYS  55           HB2      LYS  55  -0.317  -2.080  -1.615
  394    HB3  LYS  55           HB3      LYS  55  -0.654  -1.206  -3.104
  395    HG2  LYS  55           HG2      LYS  55   0.892  -2.389  -4.312
  396    HG3  LYS  55           HG3      LYS  55   1.879  -2.754  -2.896
  397    HD2  LYS  55           HD2      LYS  55   0.777  -4.763  -3.696
  398    HD3  LYS  55           HD3      LYS  55   0.147  -4.312  -2.110
  399    HE2  LYS  55           HE2      LYS  55  -1.651  -4.991  -3.613
  400    HE3  LYS  55           HE3      LYS  55  -1.799  -3.292  -3.168
  401    HZ1  LYS  55           HZ1      LYS  55  -1.989  -4.135  -5.658
  402    HZ2  LYS  55           HZ2      LYS  55  -0.316  -3.885  -5.605
  403    HZ3  LYS  55           HZ3      LYS  55  -1.373  -2.609  -5.266
  404    H    SER  56           H        SER  56   1.280  -0.170  -4.516
  405    HA   SER  56           HA       SER  56   0.469   2.665  -4.445
  406    HB2  SER  56           HB2      SER  56   1.811   2.446  -6.804
  407    HB3  SER  56           HB3      SER  56   2.561   2.957  -5.292
  408    HG   SER  56           HG       SER  56   3.824   1.325  -5.922
  409    H    CYS  57           H        CYS  57  -1.102   3.358  -5.850
  410    HA   CYS  57           HA       CYS  57  -2.089   1.422  -7.828
  411    HB2  CYS  57           HB2      CYS  57  -4.262   1.414  -7.089
  412    HB3  CYS  57           HB3      CYS  57  -3.422   1.563  -5.559
  413    H    ARG  58           H        ARG  58  -3.876   2.554  -9.210
  414    HA   ARG  58           HA       ARG  58  -2.626   4.993 -10.203
  415    HB2  ARG  58           HB2      ARG  58  -4.911   3.555 -11.524
  416    HB3  ARG  58           HB3      ARG  58  -3.682   4.575 -12.254
  417    HG2  ARG  58           HG2      ARG  58  -2.385   2.832 -12.668
  418    HG3  ARG  58           HG3      ARG  58  -2.450   2.316 -10.983
  419    HD2  ARG  58           HD2      ARG  58  -4.424   1.052 -11.357
  420    HD3  ARG  58           HD3      ARG  58  -4.658   1.766 -12.951
  421    HE   ARG  58           HE       ARG  58  -2.177   0.413 -12.830
  422   HH11  ARG  58          HH11      ARG  58  -5.610  -0.181 -13.028
  423   HH12  ARG  58          HH12      ARG  58  -5.427  -1.701 -13.836
  424   HH21  ARG  58          HH21      ARG  58  -1.933  -1.585 -13.893
  425   HH22  ARG  58          HH22      ARG  58  -3.340  -2.499 -14.327
  426    H    SER  59           H        SER  59  -3.425   6.928  -9.767
  427    HA   SER  59           HA       SER  59  -5.984   7.172  -8.439
  428    HB2  SER  59           HB2      SER  59  -3.560   8.613  -8.403
  429    HB3  SER  59           HB3      SER  59  -4.772   9.715  -9.055
  430    HG   SER  59           HG       SER  59  -5.194   8.189  -6.708
  431    H    ALA  60           H        ALA  60  -4.622   7.759 -11.584
  432    HA   ALA  60           HA       ALA  60  -6.520   9.564 -12.595
  433    HB1  ALA  60           HB1      ALA  60  -4.246   8.657 -13.568
  434    HB2  ALA  60           HB2      ALA  60  -5.519   9.263 -14.628
  435    HB3  ALA  60           HB3      ALA  60  -5.317   7.526 -14.396
  436    H    LEU  61           H        LEU  61  -6.813   6.243 -11.808
  437    HA   LEU  61           HA       LEU  61  -9.278   6.035 -13.402
  438    HB2  LEU  61           HB2      LEU  61  -7.382   3.941 -12.364
  439    HB3  LEU  61           HB3      LEU  61  -8.999   3.540 -12.912
  440    HG   LEU  61           HG       LEU  61  -7.228   3.155 -14.614
  441   HD11  LEU  61          HD11      LEU  61  -9.604   4.864 -15.006
  442   HD12  LEU  61          HD12      LEU  61  -9.198   3.300 -15.713
  443   HD13  LEU  61          HD13      LEU  61  -8.462   4.773 -16.347
  444   HD21  LEU  61          HD21      LEU  61  -7.064   6.093 -15.064
  445   HD22  LEU  61          HD22      LEU  61  -5.924   4.818 -15.496
  446   HD23  LEU  61          HD23      LEU  61  -6.045   5.363 -13.824
  447    H    MET  62           H        MET  62  -7.847   5.632 -10.224
  448    HA   MET  62           HA       MET  62  -9.997   4.505  -8.868
  449    HB2  MET  62           HB2      MET  62  -7.688   6.216  -8.057
  450    HB3  MET  62           HB3      MET  62  -8.970   5.923  -6.891
  451    HG2  MET  62           HG2      MET  62  -7.350   3.811  -8.294
  452    HG3  MET  62           HG3      MET  62  -7.131   4.349  -6.629
  453    HE1  MET  62           HE1      MET  62 -10.463   3.347  -4.975
  454    HE2  MET  62           HE2      MET  62 -10.856   4.448  -6.294
  455    HE3  MET  62           HE3      MET  62  -9.429   4.737  -5.300
  456    H    GLU  63           H        GLU  63  -9.221   7.925  -9.416
  457    HA   GLU  63           HA       GLU  63 -12.025   8.608  -9.257
  458    HB2  GLU  63           HB2      GLU  63 -10.907   8.654  -6.879
  459    HB3  GLU  63           HB3      GLU  63 -10.234  10.176  -7.445
  460    HG2  GLU  63           HG2      GLU  63 -12.856  10.465  -8.103
  461    HG3  GLU  63           HG3      GLU  63 -12.960   9.505  -6.627
  462    H    GLN  64           H        GLN  64 -11.770   9.270 -11.395
  463    HA   GLN  64           HA       GLN  64 -10.614  11.919 -11.690
  464    HB2  GLN  64           HB2      GLN  64  -9.019   9.851 -12.386
  465    HB3  GLN  64           HB3      GLN  64  -9.894  10.080 -13.894
  466    HG2  GLN  64           HG2      GLN  64  -8.896  12.556 -12.705
  467    HG3  GLN  64           HG3      GLN  64  -7.638  11.411 -13.163
  468   HE21  GLN  64          HE21      GLN  64  -7.220  13.339 -14.608
  469   HE22  GLN  64          HE22      GLN  64  -7.975  13.315 -16.163
  470    H    ARG  65           H        ARG  65 -11.620  13.153 -13.234
  471    HA   ARG  65           HA       ARG  65 -13.994  11.941 -14.462
  472    HB2  ARG  65           HB2      ARG  65 -14.649  14.391 -14.795
  473    HB3  ARG  65           HB3      ARG  65 -14.645  13.778 -13.148
  474    HG2  ARG  65           HG2      ARG  65 -12.130  15.005 -14.062
  475    HG3  ARG  65           HG3      ARG  65 -13.507  16.093 -13.888
  476    HD2  ARG  65           HD2      ARG  65 -12.795  14.154 -11.718
  477    HD3  ARG  65           HD3      ARG  65 -11.956  15.698 -11.857
  478    HE   ARG  65           HE       ARG  65 -14.562  16.413 -11.904
  479   HH11  ARG  65          HH11      ARG  65 -12.678  14.426  -9.740
  480   HH12  ARG  65          HH12      ARG  65 -13.643  14.805  -8.352
  481   HH21  ARG  65          HH21      ARG  65 -15.831  16.913 -10.080
  482   HH22  ARG  65          HH22      ARG  65 -15.432  16.216  -8.545
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  24.672  -4.311   1.199
    2    H2   GLY   1           H2       GLY   1  24.553  -3.033   0.099
    3    H3   GLY   1           H3       GLY   1  23.446  -4.310   0.033
    4    HA2  GLY   1           HA2      GLY   1  23.590  -2.939   2.581
    5    HA3  GLY   1           HA3      GLY   1  22.968  -1.977   1.249
    6    H    SER   2           H        SER   2  22.609  -5.263   2.589
    7    HA   SER   2           HA       SER   2  19.865  -5.007   3.114
    8    HB2  SER   2           HB2      SER   2  19.838  -4.976   0.575
    9    HB3  SER   2           HB3      SER   2  20.399  -6.647   0.632
   10    HG   SER   2           HG       SER   2  18.492  -7.284   1.356
   11    H    GLY   3           H        GLY   3  20.214  -6.125   4.970
   12    HA2  GLY   3           HA2      GLY   3  21.811  -8.410   5.256
   13    HA3  GLY   3           HA3      GLY   3  20.525  -7.930   6.352
   14    H    MET   4           H        MET   4  18.248  -8.263   5.142
   15    HA   MET   4           HA       MET   4  18.278 -10.947   3.939
   16    HB2  MET   4           HB2      MET   4  17.514 -10.542   6.506
   17    HB3  MET   4           HB3      MET   4  15.981 -10.294   5.683
   18    HG2  MET   4           HG2      MET   4  16.804 -12.561   4.486
   19    HG3  MET   4           HG3      MET   4  17.547 -12.750   6.074
   20    HE1  MET   4           HE1      MET   4  14.526 -14.883   5.256
   21    HE2  MET   4           HE2      MET   4  15.118 -15.067   6.908
   22    HE3  MET   4           HE3      MET   4  16.258 -14.821   5.584
   23    H    LYS   5           H        LYS   5  16.063 -11.480   2.979
   24    HA   LYS   5           HA       LYS   5  15.227  -9.172   1.389
   25    HB2  LYS   5           HB2      LYS   5  15.894 -11.632   0.565
   26    HB3  LYS   5           HB3      LYS   5  14.174 -11.893   0.821
   27    HG2  LYS   5           HG2      LYS   5  15.178  -9.590  -0.812
   28    HG3  LYS   5           HG3      LYS   5  14.951 -11.196  -1.510
   29    HD2  LYS   5           HD2      LYS   5  12.588 -11.098  -0.572
   30    HD3  LYS   5           HD3      LYS   5  12.884  -9.382  -0.289
   31    HE2  LYS   5           HE2      LYS   5  12.060  -9.149  -2.370
   32    HE3  LYS   5           HE3      LYS   5  13.691  -9.608  -2.859
   33    HZ1  LYS   5           HZ1      LYS   5  12.423 -11.060  -4.068
   34    HZ2  LYS   5           HZ2      LYS   5  11.228 -11.208  -2.877
   35    HZ3  LYS   5           HZ3      LYS   5  12.714 -11.996  -2.688
   36    H    GLU   6           H        GLU   6  13.726  -8.055   2.524
   37    HA   GLU   6           HA       GLU   6  11.604  -9.444   3.935
   38    HB2  GLU   6           HB2      GLU   6  12.888  -7.148   4.489
   39    HB3  GLU   6           HB3      GLU   6  11.516  -6.497   3.602
   40    HG2  GLU   6           HG2      GLU   6  10.080  -6.922   5.262
   41    HG3  GLU   6           HG3      GLU   6  10.810  -8.483   5.633
   42    H    PHE   7           H        PHE   7   9.441  -9.412   3.402
   43    HA   PHE   7           HA       PHE   7   8.696  -8.164   0.853
   44    HB2  PHE   7           HB2      PHE   7   7.203 -10.409   0.714
   45    HB3  PHE   7           HB3      PHE   7   8.779 -10.247  -0.048
   46    HD1  PHE   7           HD1      PHE   7   7.319 -11.209   3.249
   47    HD2  PHE   7           HD2      PHE   7  10.299 -11.928   0.298
   48    HE1  PHE   7           HE1      PHE   7   8.131 -13.136   4.545
   49    HE2  PHE   7           HE2      PHE   7  11.118 -13.856   1.589
   50    HZ   PHE   7           HZ       PHE   7  10.033 -14.463   3.715
   51    HA   PRO   8           HA       PRO   8   4.957  -7.128   2.979
   52    HB2  PRO   8           HB2      PRO   8   3.209  -6.838   0.999
   53    HB3  PRO   8           HB3      PRO   8   4.663  -5.833   1.060
   54    HG2  PRO   8           HG2      PRO   8   4.105  -8.257  -0.602
   55    HG3  PRO   8           HG3      PRO   8   4.905  -6.746  -1.066
   56    HD2  PRO   8           HD2      PRO   8   6.212  -9.085  -0.355
   57    HD3  PRO   8           HD3      PRO   8   6.932  -7.465  -0.313
   58    H    CYS   9           H        CYS   9   2.354  -7.672   2.570
   59    HA   CYS   9           HA       CYS   9   2.207 -10.568   3.028
   60    HB2  CYS   9           HB2      CYS   9   0.233 -10.185   4.326
   61    HB3  CYS   9           HB3      CYS   9   1.442  -9.027   4.859
   62    H    TRP  10           H        TRP  10   1.036  -7.978   1.022
   63    HA   TRP  10           HA       TRP  10  -1.145  -9.380  -0.132
   64    HB2  TRP  10           HB2      TRP  10  -0.967  -7.605  -1.917
   65    HB3  TRP  10           HB3      TRP  10  -1.164  -7.004  -0.277
   66    HD1  TRP  10           HD1      TRP  10   0.874  -5.658   0.795
   67    HE1  TRP  10           HE1      TRP  10   2.956  -4.562  -0.250
   68    HE3  TRP  10           HE3      TRP  10   0.756  -7.907  -3.782
   69    HZ2  TRP  10           HZ2      TRP  10   4.364  -4.643  -2.698
   70    HZ3  TRP  10           HZ3      TRP  10   2.502  -7.345  -5.425
   71    HH2  TRP  10           HH2      TRP  10   4.269  -5.747  -4.892
   72    H    LEU  11           H        LEU  11   2.239  -9.569  -0.563
   73    HA   LEU  11           HA       LEU  11   2.130 -10.570  -3.264
   74    HB2  LEU  11           HB2      LEU  11   4.280 -10.128  -1.240
   75    HB3  LEU  11           HB3      LEU  11   4.597 -11.187  -2.602
   76    HG   LEU  11           HG       LEU  11   3.725  -8.305  -2.819
   77   HD11  LEU  11          HD11      LEU  11   5.853  -7.751  -2.517
   78   HD12  LEU  11          HD12      LEU  11   6.293  -8.735  -3.912
   79   HD13  LEU  11          HD13      LEU  11   6.292  -9.445  -2.299
   80   HD21  LEU  11          HD21      LEU  11   4.589  -8.747  -5.216
   81   HD22  LEU  11          HD22      LEU  11   2.981  -9.316  -4.770
   82   HD23  LEU  11          HD23      LEU  11   4.333 -10.446  -4.821
   83    H    VAL  12           H        VAL  12   1.814 -11.871  -0.107
   84    HA   VAL  12           HA       VAL  12   1.959 -14.591  -1.230
   85    HB   VAL  12           HB       VAL  12   2.572 -15.320   1.138
   86   HG11  VAL  12          HG11      VAL  12   4.308 -13.993  -0.859
   87   HG12  VAL  12          HG12      VAL  12   4.323 -15.653  -0.264
   88   HG13  VAL  12          HG13      VAL  12   5.024 -14.362   0.710
   89   HG21  VAL  12          HG21      VAL  12   2.137 -12.687   1.750
   90   HG22  VAL  12          HG22      VAL  12   3.895 -12.762   1.644
   91   HG23  VAL  12          HG23      VAL  12   3.032 -13.832   2.749
   92    H    GLU  13           H        GLU  13  -0.093 -12.318  -0.062
   93    HA   GLU  13           HA       GLU  13  -2.026 -14.354   0.772
   94    HB2  GLU  13           HB2      GLU  13  -1.557 -11.773   2.277
   95    HB3  GLU  13           HB3      GLU  13  -2.813 -12.949   2.623
   96    HG2  GLU  13           HG2      GLU  13  -1.445 -14.195   3.838
   97    HG3  GLU  13           HG3      GLU  13  -0.188 -14.162   2.605
   98    H    GLU  14           H        GLU  14  -4.264 -13.209   1.053
   99    HA   GLU  14           HA       GLU  14  -4.745 -11.773  -1.432
  100    HB2  GLU  14           HB2      GLU  14  -6.912 -12.448   0.515
  101    HB3  GLU  14           HB3      GLU  14  -6.972 -12.392  -1.239
  102    HG2  GLU  14           HG2      GLU  14  -5.629 -14.449  -1.330
  103    HG3  GLU  14           HG3      GLU  14  -5.643 -14.514   0.431
  104    H    PHE  15           H        PHE  15  -4.793  -9.631  -1.488
  105    HA   PHE  15           HA       PHE  15  -5.289  -8.176   1.014
  106    HB2  PHE  15           HB2      PHE  15  -3.955  -6.416   0.207
  107    HB3  PHE  15           HB3      PHE  15  -3.103  -7.875  -0.284
  108    HD1  PHE  15           HD1      PHE  15  -5.291  -5.152  -1.473
  109    HD2  PHE  15           HD2      PHE  15  -2.701  -8.348  -2.560
  110    HE1  PHE  15           HE1      PHE  15  -5.295  -4.358  -3.801
  111    HE2  PHE  15           HE2      PHE  15  -2.700  -7.559  -4.890
  112    HZ   PHE  15           HZ       PHE  15  -4.000  -5.561  -5.512
  113    H    VAL  16           H        VAL  16  -6.524  -6.237   0.976
  114    HA   VAL  16           HA       VAL  16  -8.385  -5.986  -1.277
  115    HB   VAL  16           HB       VAL  16 -10.189  -5.483   0.470
  116   HG11  VAL  16          HG11      VAL  16  -9.409  -8.358   0.587
  117   HG12  VAL  16          HG12      VAL  16  -9.773  -7.628  -0.976
  118   HG13  VAL  16          HG13      VAL  16 -10.989  -7.629   0.300
  119   HG21  VAL  16          HG21      VAL  16  -9.925  -6.587   2.633
  120   HG22  VAL  16          HG22      VAL  16  -8.707  -5.332   2.407
  121   HG23  VAL  16          HG23      VAL  16  -8.272  -7.030   2.212
  122    H    VAL  17           H        VAL  17  -8.303  -3.969  -2.022
  123    HA   VAL  17           HA       VAL  17  -6.942  -1.872  -0.779
  124    HB   VAL  17           HB       VAL  17  -9.136  -1.531  -2.821
  125   HG11  VAL  17          HG11      VAL  17  -6.995   0.184  -1.718
  126   HG12  VAL  17          HG12      VAL  17  -8.591   0.614  -2.334
  127   HG13  VAL  17          HG13      VAL  17  -7.273   0.285  -3.457
  128   HG21  VAL  17          HG21      VAL  17  -7.793  -3.114  -3.853
  129   HG22  VAL  17          HG22      VAL  17  -6.318  -2.494  -3.112
  130   HG23  VAL  17          HG23      VAL  17  -7.094  -1.596  -4.416
  131    H    ALA  18           H        ALA  18  -7.615  -1.488   1.307
  132    HA   ALA  18           HA       ALA  18 -10.405  -0.885   1.846
  133    HB1  ALA  18           HB1      ALA  18  -9.878  -0.984   4.101
  134    HB2  ALA  18           HB2      ALA  18  -8.198  -0.519   3.834
  135    HB3  ALA  18           HB3      ALA  18  -8.744  -2.137   3.397
  136    H    GLU  19           H        GLU  19  -7.399   0.760   1.300
  137    HA   GLU  19           HA       GLU  19  -8.805   3.329   1.425
  138    HB2  GLU  19           HB2      GLU  19  -6.009   2.926   2.497
  139    HB3  GLU  19           HB3      GLU  19  -6.975   4.392   2.575
  140    HG2  GLU  19           HG2      GLU  19  -8.521   2.434   3.818
  141    HG3  GLU  19           HG3      GLU  19  -6.874   2.159   4.383
  142    H    GLU  20           H        GLU  20  -8.729   4.106  -0.589
  143    HA   GLU  20           HA       GLU  20  -7.142   3.260  -2.666
  144    HB2  GLU  20           HB2      GLU  20  -8.293   6.015  -2.202
  145    HB3  GLU  20           HB3      GLU  20  -7.627   5.466  -3.733
  146    HG2  GLU  20           HG2      GLU  20  -9.330   3.772  -3.918
  147    HG3  GLU  20           HG3      GLU  20  -9.954   4.183  -2.321
  148    H    CYS  21           H        CYS  21  -5.386   4.433  -3.821
  149    HA   CYS  21           HA       CYS  21  -3.330   5.090  -1.906
  150    HB2  CYS  21           HB2      CYS  21  -1.775   4.954  -3.737
  151    HB3  CYS  21           HB3      CYS  21  -2.851   3.574  -3.793
  152    H    SER  22           H        SER  22  -2.271   6.985  -1.668
  153    HA   SER  22           HA       SER  22  -3.205   9.282  -3.240
  154    HB2  SER  22           HB2      SER  22  -2.681   9.762  -0.358
  155    HB3  SER  22           HB3      SER  22  -3.872  10.501  -1.427
  156    HG   SER  22           HG       SER  22  -3.993   7.969  -0.165
  157    HA   PRO  23           HA       PRO  23   0.826  10.919  -3.755
  158    HB2  PRO  23           HB2      PRO  23   0.089  13.106  -1.850
  159    HB3  PRO  23           HB3      PRO  23   0.860  13.212  -3.437
  160    HG2  PRO  23           HG2      PRO  23  -1.723  13.773  -3.158
  161    HG3  PRO  23           HG3      PRO  23  -1.136  12.885  -4.576
  162    HD2  PRO  23           HD2      PRO  23  -2.648  11.895  -2.214
  163    HD3  PRO  23           HD3      PRO  23  -2.665  11.317  -3.890
  164    H    CYS  24           H        CYS  24   2.858  11.268  -2.720
  165    HA   CYS  24           HA       CYS  24   2.960  10.229   0.037
  166    HB2  CYS  24           HB2      CYS  24   4.982   9.938  -2.195
  167    HB3  CYS  24           HB3      CYS  24   5.196   9.343  -0.555
  168    H    SER  25           H        SER  25   3.608  11.653   1.502
  169    HA   SER  25           HA       SER  25   4.477  14.241   0.943
  170    HB2  SER  25           HB2      SER  25   3.642  12.985   3.184
  171    HB3  SER  25           HB3      SER  25   5.372  13.067   3.513
  172    HG   SER  25           HG       SER  25   3.493  15.073   3.434
  173    H    ASN  26           H        ASN  26   6.654  14.949   2.266
  174    HA   ASN  26           HA       ASN  26   8.771  14.285   0.557
  175    HB2  ASN  26           HB2      ASN  26   9.045  15.410   3.348
  176    HB3  ASN  26           HB3      ASN  26  10.167  15.602   2.005
  177   HD21  ASN  26          HD21      ASN  26   9.247  16.687   0.057
  178   HD22  ASN  26          HD22      ASN  26   8.180  18.020   0.323
  179    H    PHE  27           H        PHE  27   7.713  12.888   3.575
  180    HA   PHE  27           HA       PHE  27  10.106  11.228   3.760
  181    HB2  PHE  27           HB2      PHE  27   7.853  11.905   5.589
  182    HB3  PHE  27           HB3      PHE  27   8.653  10.354   5.814
  183    HD1  PHE  27           HD1      PHE  27  11.282  10.472   5.877
  184    HD2  PHE  27           HD2      PHE  27   8.682  13.742   6.690
  185    HE1  PHE  27           HE1      PHE  27  13.077  11.579   7.144
  186    HE2  PHE  27           HE2      PHE  27  10.473  14.856   7.958
  187    HZ   PHE  27           HZ       PHE  27  12.674  13.774   8.186
  188    H    ARG  28           H        ARG  28   6.717  11.021   2.939
  189    HA   ARG  28           HA       ARG  28   6.512   8.190   2.995
  190    HB2  ARG  28           HB2      ARG  28   4.617   9.911   3.000
  191    HB3  ARG  28           HB3      ARG  28   4.855  10.010   1.261
  192    HG2  ARG  28           HG2      ARG  28   3.859   8.039   0.880
  193    HG3  ARG  28           HG3      ARG  28   4.571   7.286   2.308
  194    HD2  ARG  28           HD2      ARG  28   2.725   7.630   3.505
  195    HD3  ARG  28           HD3      ARG  28   2.664   9.329   3.039
  196    HE   ARG  28           HE       ARG  28   1.741   8.061   0.840
  197   HH11  ARG  28          HH11      ARG  28   0.876   7.898   4.216
  198   HH12  ARG  28          HH12      ARG  28  -0.781   7.507   3.902
  199   HH21  ARG  28          HH21      ARG  28  -0.438   7.547   0.424
  200   HH22  ARG  28          HH22      ARG  28  -1.527   7.307   1.749
  201    H    ALA  29           H        ALA  29   7.245  10.525   0.438
  202    HA   ALA  29           HA       ALA  29   7.401   8.556  -1.628
  203    HB1  ALA  29           HB1      ALA  29   7.005  11.142  -1.770
  204    HB2  ALA  29           HB2      ALA  29   7.847  10.291  -3.065
  205    HB3  ALA  29           HB3      ALA  29   8.765  11.196  -1.862
  206    H    LYS  30           H        LYS  30   9.647   9.924   0.661
  207    HA   LYS  30           HA       LYS  30  11.969   8.860  -0.703
  208    HB2  LYS  30           HB2      LYS  30  11.611  10.288   1.932
  209    HB3  LYS  30           HB3      LYS  30  13.166   9.689   1.368
  210    HG2  LYS  30           HG2      LYS  30  11.680  11.389  -0.524
  211    HG3  LYS  30           HG3      LYS  30  12.278  12.183   0.935
  212    HD2  LYS  30           HD2      LYS  30  14.196  10.399  -0.412
  213    HD3  LYS  30           HD3      LYS  30  13.737  11.841  -1.320
  214    HE2  LYS  30           HE2      LYS  30  14.934  11.713   1.441
  215    HE3  LYS  30           HE3      LYS  30  15.674  12.368  -0.019
  216    HZ1  LYS  30           HZ1      LYS  30  14.936  14.261   0.997
  217    HZ2  LYS  30           HZ2      LYS  30  13.577  13.520   1.680
  218    HZ3  LYS  30           HZ3      LYS  30  13.590  13.910   0.035
  219    H    THR  31           H        THR  31   9.844   7.970   1.914
  220    HA   THR  31           HA       THR  31  11.589   5.814   2.786
  221    HB   THR  31           HB       THR  31   8.812   6.557   3.724
  222    HG1  THR  31           HG1      THR  31  11.385   7.294   4.628
  223   HG21  THR  31          HG21      THR  31  10.185   4.231   4.243
  224   HG22  THR  31          HG22      THR  31   8.877   4.915   5.210
  225   HG23  THR  31          HG23      THR  31  10.557   5.255   5.630
  226    H    THR  32           H        THR  32   8.281   6.127   1.497
  227    HA   THR  32           HA       THR  32   8.098   3.293   1.006
  228    HB   THR  32           HB       THR  32   6.231   5.489   0.100
  229    HG1  THR  32           HG1      THR  32   6.329   5.593   2.305
  230   HG21  THR  32          HG21      THR  32   4.526   3.663   0.294
  231   HG22  THR  32          HG22      THR  32   5.869   2.526   0.403
  232   HG23  THR  32          HG23      THR  32   5.660   3.508  -1.047
  233    HA   PRO  33           HA       PRO  33  10.103   3.830  -3.003
  234    HB2  PRO  33           HB2      PRO  33  10.260   1.194  -3.605
  235    HB3  PRO  33           HB3      PRO  33  11.375   1.987  -2.486
  236    HG2  PRO  33           HG2      PRO  33   8.951   0.332  -1.891
  237    HG3  PRO  33           HG3      PRO  33  10.546   0.298  -1.115
  238    HD2  PRO  33           HD2      PRO  33   8.419   1.572  -0.025
  239    HD3  PRO  33           HD3      PRO  33  10.087   2.137   0.194
  240    H    GLU  34           H        GLU  34   7.014   2.642  -2.238
  241    HA   GLU  34           HA       GLU  34   6.238   1.833  -4.878
  242    HB2  GLU  34           HB2      GLU  34   5.111   1.779  -2.238
  243    HB3  GLU  34           HB3      GLU  34   3.943   2.473  -3.354
  244    HG2  GLU  34           HG2      GLU  34   3.458   0.216  -3.420
  245    HG3  GLU  34           HG3      GLU  34   4.476   0.445  -4.841
  246    H    CYS  35           H        CYS  35   6.910   4.817  -3.630
  247    HA   CYS  35           HA       CYS  35   4.797   6.221  -5.079
  248    HB2  CYS  35           HB2      CYS  35   7.015   7.461  -3.458
  249    HB3  CYS  35           HB3      CYS  35   5.477   8.183  -3.921
  250    H    GLY  36           H        GLY  36   7.061   4.719  -6.370
  251    HA2  GLY  36           HA2      GLY  36   8.592   6.867  -7.614
  252    HA3  GLY  36           HA3      GLY  36   8.874   5.147  -7.808
  253    HA   PRO  37           HA       PRO  37   6.405   5.147 -11.476
  254    HB2  PRO  37           HB2      PRO  37   4.460   3.309 -11.259
  255    HB3  PRO  37           HB3      PRO  37   6.171   2.868 -11.255
  256    HG2  PRO  37           HG2      PRO  37   4.262   3.078  -8.975
  257    HG3  PRO  37           HG3      PRO  37   5.568   1.914  -9.242
  258    HD2  PRO  37           HD2      PRO  37   5.720   4.140  -7.596
  259    HD3  PRO  37           HD3      PRO  37   7.110   3.258  -8.255
  260    H    THR  38           H        THR  38   3.928   5.003  -8.899
  261    HA   THR  38           HA       THR  38   2.265   6.825 -10.492
  262    HB   THR  38           HB       THR  38   0.972   4.949  -9.918
  263    HG1  THR  38           HG1      THR  38  -0.600   5.939  -8.931
  264   HG21  THR  38          HG21      THR  38   2.133   5.116  -7.154
  265   HG22  THR  38          HG22      THR  38   2.359   3.829  -8.337
  266   HG23  THR  38          HG23      THR  38   0.776   4.085  -7.605
  267    H    GLY  39           H        GLY  39   3.846   6.466  -7.380
  268    HA2  GLY  39           HA2      GLY  39   4.530   8.173  -5.944
  269    HA3  GLY  39           HA3      GLY  39   3.647   9.326  -6.939
  270    H    TYR  40           H        TYR  40   1.544   6.900  -6.473
  271    HA   TYR  40           HA       TYR  40   0.374   8.131  -4.071
  272    HB2  TYR  40           HB2      TYR  40  -0.902   6.891  -6.511
  273    HB3  TYR  40           HB3      TYR  40  -1.800   7.209  -5.035
  274    HD1  TYR  40           HD1      TYR  40   0.695   9.174  -7.017
  275    HD2  TYR  40           HD2      TYR  40  -3.192   9.026  -5.298
  276    HE1  TYR  40           HE1      TYR  40   0.276  11.471  -7.784
  277    HE2  TYR  40           HE2      TYR  40  -3.624  11.322  -6.064
  278    HH   TYR  40           HH       TYR  40  -2.239  13.355  -6.661
  279    H    VAL  41           H        VAL  41   0.177   6.823  -2.324
  280    HA   VAL  41           HA       VAL  41   0.401   3.921  -2.788
  281    HB   VAL  41           HB       VAL  41   1.368   3.711  -0.556
  282   HG11  VAL  41          HG11      VAL  41   2.948   3.848  -2.297
  283   HG12  VAL  41          HG12      VAL  41   3.529   4.941  -1.041
  284   HG13  VAL  41          HG13      VAL  41   2.722   5.589  -2.471
  285   HG21  VAL  41          HG21      VAL  41   0.405   5.553   0.609
  286   HG22  VAL  41          HG22      VAL  41   1.122   6.713  -0.510
  287   HG23  VAL  41          HG23      VAL  41   2.151   5.801   0.595
  288    H    GLU  42           H        GLU  42  -1.129   2.616  -2.063
  289    HA   GLU  42           HA       GLU  42  -3.370   3.774  -0.558
  290    HB2  GLU  42           HB2      GLU  42  -4.524   1.621  -1.336
  291    HB3  GLU  42           HB3      GLU  42  -4.165   2.826  -2.560
  292    HG2  GLU  42           HG2      GLU  42  -2.781   1.472  -3.659
  293    HG3  GLU  42           HG3      GLU  42  -2.031   0.888  -2.179
  294    H    LYS  43           H        LYS  43  -4.568   2.009   0.770
  295    HA   LYS  43           HA       LYS  43  -2.579   0.555   2.383
  296    HB2  LYS  43           HB2      LYS  43  -4.175   2.643   3.234
  297    HB3  LYS  43           HB3      LYS  43  -5.068   1.226   3.761
  298    HG2  LYS  43           HG2      LYS  43  -3.344   0.501   5.148
  299    HG3  LYS  43           HG3      LYS  43  -2.146   1.512   4.338
  300    HD2  LYS  43           HD2      LYS  43  -2.463   2.871   6.108
  301    HD3  LYS  43           HD3      LYS  43  -3.887   3.394   5.206
  302    HE2  LYS  43           HE2      LYS  43  -4.883   1.237   6.487
  303    HE3  LYS  43           HE3      LYS  43  -3.680   1.773   7.659
  304    HZ1  LYS  43           HZ1      LYS  43  -5.598   2.916   8.243
  305    HZ2  LYS  43           HZ2      LYS  43  -6.034   3.234   6.639
  306    HZ3  LYS  43           HZ3      LYS  43  -4.736   4.059   7.342
  307    H    ILE  44           H        ILE  44  -2.812  -1.449   1.508
  308    HA   ILE  44           HA       ILE  44  -5.512  -2.588   1.353
  309    HB   ILE  44           HB       ILE  44  -4.348  -4.483   0.137
  310   HG12  ILE  44          HG12      ILE  44  -2.171  -3.613  -0.995
  311   HG13  ILE  44          HG13      ILE  44  -2.064  -2.550   0.400
  312   HG21  ILE  44          HG21      ILE  44  -5.549  -3.188  -1.297
  313   HG22  ILE  44          HG22      ILE  44  -3.929  -2.883  -1.923
  314   HG23  ILE  44          HG23      ILE  44  -4.696  -1.709  -0.854
  315   HD11  ILE  44          HD11      ILE  44  -1.356  -4.192   1.721
  316   HD12  ILE  44          HD12      ILE  44  -1.059  -5.084   0.229
  317   HD13  ILE  44          HD13      ILE  44  -2.565  -5.323   1.114
  318    H    THR  45           H        THR  45  -6.181  -4.179   2.659
  319    HA   THR  45           HA       THR  45  -4.306  -5.125   4.707
  320    HB   THR  45           HB       THR  45  -7.269  -5.560   4.826
  321    HG1  THR  45           HG1      THR  45  -5.968  -3.182   5.649
  322   HG21  THR  45          HG21      THR  45  -6.938  -5.284   7.219
  323   HG22  THR  45          HG22      THR  45  -5.218  -5.000   6.953
  324   HG23  THR  45          HG23      THR  45  -5.922  -6.572   6.574
  325    H    CYS  46           H        CYS  46  -3.903  -7.272   5.042
  326    HA   CYS  46           HA       CYS  46  -4.783  -9.068   2.914
  327    HB2  CYS  46           HB2      CYS  46  -2.578  -9.296   4.967
  328    HB3  CYS  46           HB3      CYS  46  -3.012 -10.593   3.868
  329    H    SER  47           H        SER  47  -6.417 -10.400   3.230
  330    HA   SER  47           HA       SER  47  -7.864 -10.715   5.555
  331    HB2  SER  47           HB2      SER  47  -8.830 -11.410   3.475
  332    HB3  SER  47           HB3      SER  47  -7.538 -12.577   3.195
  333    HG   SER  47           HG       SER  47  -9.596 -12.684   5.137
  334    H    SER  48           H        SER  48  -4.943 -12.285   4.541
  335    HA   SER  48           HA       SER  48  -5.076 -14.294   6.624
  336    HB2  SER  48           HB2      SER  48  -3.561 -13.907   4.186
  337    HB3  SER  48           HB3      SER  48  -2.490 -14.286   5.535
  338    HG   SER  48           HG       SER  48  -3.161 -16.211   4.671
  339    H    SER  49           H        SER  49  -4.866 -13.455   8.577
  340    HA   SER  49           HA       SER  49  -3.752 -12.742  10.440
  341    HB2  SER  49           HB2      SER  49  -1.592 -12.701   8.474
  342    HB3  SER  49           HB3      SER  49  -1.432 -11.422   9.673
  343    HG   SER  49           HG       SER  49  -1.438 -12.947  11.283
  344    H    LYS  50           H        LYS  50  -5.171 -11.014   8.164
  345    HA   LYS  50           HA       LYS  50  -5.743  -8.817   7.832
  346    HB2  LYS  50           HB2      LYS  50  -6.011  -9.475  10.678
  347    HB3  LYS  50           HB3      LYS  50  -5.909  -7.750  10.362
  348    HG2  LYS  50           HG2      LYS  50  -7.830  -9.554   8.922
  349    HG3  LYS  50           HG3      LYS  50  -8.224  -8.740  10.437
  350    HD2  LYS  50           HD2      LYS  50  -8.069  -6.611   9.463
  351    HD3  LYS  50           HD3      LYS  50  -7.196  -7.225   8.058
  352    HE2  LYS  50           HE2      LYS  50  -9.116  -8.147   7.116
  353    HE3  LYS  50           HE3      LYS  50  -9.986  -8.142   8.649
  354    HZ1  LYS  50           HZ1      LYS  50 -10.400  -6.342   6.767
  355    HZ2  LYS  50           HZ2      LYS  50  -9.158  -5.552   7.601
  356    HZ3  LYS  50           HZ3      LYS  50 -10.577  -5.989   8.411
  357    H    ARG  51           H        ARG  51  -3.565  -8.462   6.913
  358    HA   ARG  51           HA       ARG  51  -1.994  -6.626   8.590
  359    HB2  ARG  51           HB2      ARG  51  -1.199  -8.963   7.186
  360    HB3  ARG  51           HB3      ARG  51  -0.434  -7.590   6.410
  361    HG2  ARG  51           HG2      ARG  51   0.552  -6.903   8.502
  362    HG3  ARG  51           HG3      ARG  51  -0.301  -8.191   9.355
  363    HD2  ARG  51           HD2      ARG  51   0.906  -9.764   7.694
  364    HD3  ARG  51           HD3      ARG  51   1.977  -8.390   7.421
  365    HE   ARG  51           HE       ARG  51   1.955 -10.116   9.683
  366   HH11  ARG  51          HH11      ARG  51   2.538  -6.815   8.709
  367   HH12  ARG  51          HH12      ARG  51   3.625  -6.490  10.019
  368   HH21  ARG  51          HH21      ARG  51   3.384  -9.689  11.404
  369   HH22  ARG  51          HH22      ARG  51   4.105  -8.121  11.548
  370    H    ASN  52           H        ASN  52  -2.006  -4.599   7.969
  371    HA   ASN  52           HA       ASN  52  -2.924  -3.915   5.286
  372    HB2  ASN  52           HB2      ASN  52  -2.882  -1.544   6.251
  373    HB3  ASN  52           HB3      ASN  52  -4.066  -2.661   6.923
  374   HD21  ASN  52          HD21      ASN  52  -4.156  -1.322   8.774
  375   HD22  ASN  52          HD22      ASN  52  -2.929  -1.407   9.988
  376    H    GLU  53           H        GLU  53  -1.388  -3.883   3.790
  377    HA   GLU  53           HA       GLU  53   1.283  -2.911   4.498
  378    HB2  GLU  53           HB2      GLU  53   0.234  -4.884   2.636
  379    HB3  GLU  53           HB3      GLU  53   1.359  -3.783   1.857
  380    HG2  GLU  53           HG2      GLU  53   1.872  -5.521   4.258
  381    HG3  GLU  53           HG3      GLU  53   2.564  -5.687   2.644
  382    H    PHE  54           H        PHE  54   2.411  -1.589   2.826
  383    HA   PHE  54           HA       PHE  54   0.577   0.481   1.835
  384    HB2  PHE  54           HB2      PHE  54   3.371   0.503   2.862
  385    HB3  PHE  54           HB3      PHE  54   2.957   1.679   1.618
  386    HD1  PHE  54           HD1      PHE  54   0.293   2.513   2.233
  387    HD2  PHE  54           HD2      PHE  54   3.477   1.565   4.893
  388    HE1  PHE  54           HE1      PHE  54  -0.705   3.973   3.943
  389    HE2  PHE  54           HE2      PHE  54   2.484   3.023   6.608
  390    HZ   PHE  54           HZ       PHE  54   0.390   4.230   6.134
  391    H    LYS  55           H        LYS  55   0.004  -0.103  -0.187
  392    HA   LYS  55           HA       LYS  55   2.151  -0.788  -2.081
  393    HB2  LYS  55           HB2      LYS  55  -0.243  -2.098  -1.557
  394    HB3  LYS  55           HB3      LYS  55  -0.564  -1.220  -3.046
  395    HG2  LYS  55           HG2      LYS  55   1.043  -2.382  -4.232
  396    HG3  LYS  55           HG3      LYS  55   1.930  -2.842  -2.778
  397    HD2  LYS  55           HD2      LYS  55   0.760  -4.756  -3.751
  398    HD3  LYS  55           HD3      LYS  55   0.127  -4.364  -2.151
  399    HE2  LYS  55           HE2      LYS  55  -1.891  -4.402  -3.105
  400    HE3  LYS  55           HE3      LYS  55  -1.448  -2.858  -3.830
  401    HZ1  LYS  55           HZ1      LYS  55  -1.041  -5.527  -5.069
  402    HZ2  LYS  55           HZ2      LYS  55  -0.627  -4.042  -5.767
  403    HZ3  LYS  55           HZ3      LYS  55  -2.251  -4.422  -5.487
  404    H    SER  56           H        SER  56   1.359  -0.169  -4.446
  405    HA   SER  56           HA       SER  56   0.515   2.655  -4.344
  406    HB2  SER  56           HB2      SER  56   2.107   3.235  -5.940
  407    HB3  SER  56           HB3      SER  56   2.969   2.013  -5.009
  408    HG   SER  56           HG       SER  56   2.706   0.576  -6.618
  409    H    CYS  57           H        CYS  57  -1.063   3.327  -5.754
  410    HA   CYS  57           HA       CYS  57  -2.001   1.351  -7.724
  411    HB2  CYS  57           HB2      CYS  57  -4.191   1.427  -7.049
  412    HB3  CYS  57           HB3      CYS  57  -3.392   1.630  -5.502
  413    H    ARG  58           H        ARG  58  -4.038   2.730  -8.869
  414    HA   ARG  58           HA       ARG  58  -2.603   4.963 -10.115
  415    HB2  ARG  58           HB2      ARG  58  -5.074   3.784 -11.311
  416    HB3  ARG  58           HB3      ARG  58  -3.673   4.489 -12.103
  417    HG2  ARG  58           HG2      ARG  58  -2.358   2.510 -11.583
  418    HG3  ARG  58           HG3      ARG  58  -3.742   1.802 -10.749
  419    HD2  ARG  58           HD2      ARG  58  -4.171   0.839 -12.729
  420    HD3  ARG  58           HD3      ARG  58  -4.827   2.416 -13.165
  421    HE   ARG  58           HE       ARG  58  -3.150   2.589 -14.688
  422   HH11  ARG  58          HH11      ARG  58  -2.085   0.431 -12.161
  423   HH12  ARG  58          HH12      ARG  58  -0.571   0.082 -12.925
  424   HH21  ARG  58          HH21      ARG  58  -1.159   2.133 -15.694
  425   HH22  ARG  58          HH22      ARG  58  -0.044   1.048 -14.931
  426    H    SER  59           H        SER  59  -3.250   6.951  -9.686
  427    HA   SER  59           HA       SER  59  -5.849   7.336  -8.402
  428    HB2  SER  59           HB2      SER  59  -4.703   9.733  -8.138
  429    HB3  SER  59           HB3      SER  59  -4.366   8.407  -7.030
  430    HG   SER  59           HG       SER  59  -2.485   7.975  -8.158
  431    H    ALA  60           H        ALA  60  -4.060   8.124 -11.277
  432    HA   ALA  60           HA       ALA  60  -5.849  10.211 -12.131
  433    HB1  ALA  60           HB1      ALA  60  -3.478   8.841 -13.315
  434    HB2  ALA  60           HB2      ALA  60  -3.734  10.552 -12.969
  435    HB3  ALA  60           HB3      ALA  60  -4.539   9.801 -14.348
  436    H    LEU  61           H        LEU  61  -6.275   6.958 -11.924
  437    HA   LEU  61           HA       LEU  61  -7.946   6.861 -14.347
  438    HB2  LEU  61           HB2      LEU  61  -6.262   4.849 -12.975
  439    HB3  LEU  61           HB3      LEU  61  -7.789   4.273 -13.616
  440    HG   LEU  61           HG       LEU  61  -6.090   5.882 -15.442
  441   HD11  LEU  61          HD11      LEU  61  -5.471   2.979 -15.129
  442   HD12  LEU  61          HD12      LEU  61  -4.651   4.168 -14.118
  443   HD13  LEU  61          HD13      LEU  61  -4.513   4.258 -15.874
  444   HD21  LEU  61          HD21      LEU  61  -7.974   3.557 -15.638
  445   HD22  LEU  61          HD22      LEU  61  -6.900   3.987 -16.969
  446   HD23  LEU  61          HD23      LEU  61  -8.093   5.149 -16.388
  447    H    MET  62           H        MET  62  -7.835   6.376 -10.886
  448    HA   MET  62           HA       MET  62 -10.313   5.123 -10.522
  449    HB2  MET  62           HB2      MET  62  -8.852   7.032  -8.688
  450    HB3  MET  62           HB3      MET  62 -10.199   6.008  -8.211
  451    HG2  MET  62           HG2      MET  62  -7.879   4.674  -9.465
  452    HG3  MET  62           HG3      MET  62  -7.653   5.328  -7.845
  453    HE1  MET  62           HE1      MET  62  -9.149   1.339  -8.808
  454    HE2  MET  62           HE2      MET  62  -7.525   1.987  -8.567
  455    HE3  MET  62           HE3      MET  62  -8.509   2.551  -9.918
  456    H    GLU  63           H        GLU  63  -9.480   8.580 -10.317
  457    HA   GLU  63           HA       GLU  63 -12.064   9.300 -11.390
  458    HB2  GLU  63           HB2      GLU  63 -11.293   9.880  -8.541
  459    HB3  GLU  63           HB3      GLU  63 -12.419  10.914  -9.408
  460    HG2  GLU  63           HG2      GLU  63 -13.467   8.453  -9.887
  461    HG3  GLU  63           HG3      GLU  63 -12.798   8.247  -8.269
  462    H    GLN  64           H        GLN  64 -10.875  10.235 -13.059
  463    HA   GLN  64           HA       GLN  64  -9.682  12.817 -12.373
  464    HB2  GLN  64           HB2      GLN  64  -8.049  10.720 -12.895
  465    HB3  GLN  64           HB3      GLN  64  -8.297  11.334 -14.524
  466    HG2  GLN  64           HG2      GLN  64  -6.335  12.348 -13.663
  467    HG3  GLN  64           HG3      GLN  64  -7.595  13.581 -13.706
  468   HE21  GLN  64          HE21      GLN  64  -5.219  12.180 -11.860
  469   HE22  GLN  64          HE22      GLN  64  -5.704  12.755 -10.305
  470    H    ARG  65           H        ARG  65 -10.881  14.255 -13.418
  471    HA   ARG  65           HA       ARG  65 -12.160  13.548 -15.937
  472    HB2  ARG  65           HB2      ARG  65 -13.491  14.669 -14.206
  473    HB3  ARG  65           HB3      ARG  65 -12.394  16.042 -14.245
  474    HG2  ARG  65           HG2      ARG  65 -13.077  15.949 -16.833
  475    HG3  ARG  65           HG3      ARG  65 -14.540  15.273 -16.114
  476    HD2  ARG  65           HD2      ARG  65 -13.464  17.671 -14.788
  477    HD3  ARG  65           HD3      ARG  65 -14.077  17.921 -16.422
  478    HE   ARG  65           HE       ARG  65 -15.915  16.428 -14.858
  479   HH11  ARG  65          HH11      ARG  65 -14.717  19.664 -15.374
  480   HH12  ARG  65          HH12      ARG  65 -16.178  20.424 -14.839
  481   HH21  ARG  65          HH21      ARG  65 -17.838  17.426 -14.154
  482   HH22  ARG  65          HH22      ARG  65 -17.950  19.154 -14.146
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  10.597   3.527  12.077
    2    H2   GLY   1           H2       GLY   1  10.725   1.844  12.189
    3    H3   GLY   1           H3       GLY   1  10.558   2.580  10.675
    4    HA2  GLY   1           HA2      GLY   1  12.705   3.463  10.706
    5    HA3  GLY   1           HA3      GLY   1  12.857   3.175  12.433
    6    H    SER   2           H        SER   2  11.973   1.180   9.611
    7    HA   SER   2           HA       SER   2  13.794  -0.891  10.624
    8    HB2  SER   2           HB2      SER   2  12.457  -2.212   8.729
    9    HB3  SER   2           HB3      SER   2  11.807  -2.008  10.355
   10    HG   SER   2           HG       SER   2  11.188  -0.502   8.037
   11    H    GLY   3           H        GLY   3  15.718  -1.016   9.686
   12    HA2  GLY   3           HA2      GLY   3  16.007  -0.019   6.930
   13    HA3  GLY   3           HA3      GLY   3  17.306  -0.137   8.106
   14    H    MET   4           H        MET   4  15.003  -2.716   7.659
   15    HA   MET   4           HA       MET   4  17.163  -4.361   6.526
   16    HB2  MET   4           HB2      MET   4  14.945  -4.922   8.427
   17    HB3  MET   4           HB3      MET   4  15.425  -6.216   7.338
   18    HG2  MET   4           HG2      MET   4  17.391  -6.552   8.379
   19    HG3  MET   4           HG3      MET   4  17.616  -4.842   8.740
   20    HE1  MET   4           HE1      MET   4  18.641  -5.291  10.791
   21    HE2  MET   4           HE2      MET   4  18.362  -6.957  11.295
   22    HE3  MET   4           HE3      MET   4  17.819  -5.625  12.315
   23    H    LYS   5           H        LYS   5  16.296  -6.251   5.180
   24    HA   LYS   5           HA       LYS   5  14.311  -5.181   3.290
   25    HB2  LYS   5           HB2      LYS   5  15.369  -6.653   1.612
   26    HB3  LYS   5           HB3      LYS   5  16.499  -5.487   2.288
   27    HG2  LYS   5           HG2      LYS   5  17.438  -7.199   3.732
   28    HG3  LYS   5           HG3      LYS   5  16.277  -8.375   3.112
   29    HD2  LYS   5           HD2      LYS   5  17.358  -8.600   1.119
   30    HD3  LYS   5           HD3      LYS   5  17.954  -6.938   1.131
   31    HE2  LYS   5           HE2      LYS   5  19.925  -7.913   1.607
   32    HE3  LYS   5           HE3      LYS   5  19.285  -7.954   3.249
   33    HZ1  LYS   5           HZ1      LYS   5  18.291 -10.215   2.349
   34    HZ2  LYS   5           HZ2      LYS   5  19.840 -10.122   3.021
   35    HZ3  LYS   5           HZ3      LYS   5  19.646 -10.132   1.342
   36    H    GLU   6           H        GLU   6  12.428  -6.193   3.089
   37    HA   GLU   6           HA       GLU   6  12.222  -9.052   3.553
   38    HB2  GLU   6           HB2      GLU   6  11.766  -7.502   5.704
   39    HB3  GLU   6           HB3      GLU   6  10.165  -7.459   4.977
   40    HG2  GLU   6           HG2      GLU   6   9.750  -9.634   5.423
   41    HG3  GLU   6           HG3      GLU   6  11.434 -10.113   5.220
   42    H    PHE   7           H        PHE   7   9.629  -9.524   3.430
   43    HA   PHE   7           HA       PHE   7   8.758  -8.188   0.953
   44    HB2  PHE   7           HB2      PHE   7   7.328 -10.474   0.911
   45    HB3  PHE   7           HB3      PHE   7   8.916 -10.314   0.171
   46    HD1  PHE   7           HD1      PHE   7   7.030 -11.689   2.989
   47    HD2  PHE   7           HD2      PHE   7  10.849 -11.378   1.140
   48    HE1  PHE   7           HE1      PHE   7   7.860 -13.521   4.405
   49    HE2  PHE   7           HE2      PHE   7  11.687 -13.211   2.551
   50    HZ   PHE   7           HZ       PHE   7  10.192 -14.285   4.187
   51    HA   PRO   8           HA       PRO   8   4.956  -7.169   2.980
   52    HB2  PRO   8           HB2      PRO   8   3.255  -6.964   0.954
   53    HB3  PRO   8           HB3      PRO   8   4.698  -5.943   1.008
   54    HG2  PRO   8           HG2      PRO   8   4.188  -8.421  -0.587
   55    HG3  PRO   8           HG3      PRO   8   5.005  -6.928  -1.073
   56    HD2  PRO   8           HD2      PRO   8   6.271  -9.261  -0.231
   57    HD3  PRO   8           HD3      PRO   8   7.010  -7.649  -0.277
   58    H    CYS   9           H        CYS   9   2.374  -7.769   2.514
   59    HA   CYS   9           HA       CYS   9   2.256 -10.660   3.028
   60    HB2  CYS   9           HB2      CYS   9   0.261 -10.274   4.310
   61    HB3  CYS   9           HB3      CYS   9   1.480  -9.129   4.853
   62    H    TRP  10           H        TRP  10   1.066  -8.090   1.008
   63    HA   TRP  10           HA       TRP  10  -1.112  -9.499  -0.138
   64    HB2  TRP  10           HB2      TRP  10  -0.916  -7.750  -1.949
   65    HB3  TRP  10           HB3      TRP  10  -1.118  -7.128  -0.318
   66    HD1  TRP  10           HD1      TRP  10   0.912  -5.772   0.747
   67    HE1  TRP  10           HE1      TRP  10   3.003  -4.693  -0.298
   68    HE3  TRP  10           HE3      TRP  10   0.823  -8.087  -3.797
   69    HZ2  TRP  10           HZ2      TRP  10   4.428  -4.812  -2.734
   70    HZ3  TRP  10           HZ3      TRP  10   2.582  -7.551  -5.436
   71    HH2  TRP  10           HH2      TRP  10   4.347  -5.947  -4.913
   72    H    LEU  11           H        LEU  11   2.284  -9.651  -0.606
   73    HA   LEU  11           HA       LEU  11   2.185 -10.676  -3.282
   74    HB2  LEU  11           HB2      LEU  11   4.311 -10.300  -1.221
   75    HB3  LEU  11           HB3      LEU  11   4.625 -11.359  -2.585
   76    HG   LEU  11           HG       LEU  11   3.811  -8.460  -2.807
   77   HD11  LEU  11          HD11      LEU  11   5.941  -7.914  -2.509
   78   HD12  LEU  11          HD12      LEU  11   6.417  -8.990  -3.821
   79   HD13  LEU  11          HD13      LEU  11   6.330  -9.600  -2.169
   80   HD21  LEU  11          HD21      LEU  11   4.665  -8.855  -5.180
   81   HD22  LEU  11          HD22      LEU  11   3.096  -9.543  -4.761
   82   HD23  LEU  11          HD23      LEU  11   4.524 -10.576  -4.818
   83    H    VAL  12           H        VAL  12   1.754 -12.000  -0.156
   84    HA   VAL  12           HA       VAL  12   1.809 -14.703  -1.315
   85    HB   VAL  12           HB       VAL  12   2.560 -15.591   0.869
   86   HG11  VAL  12          HG11      VAL  12   4.892 -14.993   0.623
   87   HG12  VAL  12          HG12      VAL  12   4.454 -13.560  -0.308
   88   HG13  VAL  12          HG13      VAL  12   4.149 -15.167  -0.967
   89   HG21  VAL  12          HG21      VAL  12   3.788 -13.598   2.202
   90   HG22  VAL  12          HG22      VAL  12   2.166 -14.175   2.584
   91   HG23  VAL  12          HG23      VAL  12   2.377 -12.736   1.587
   92    H    GLU  13           H        GLU  13  -0.151 -12.393  -0.136
   93    HA   GLU  13           HA       GLU  13  -2.125 -14.360   0.755
   94    HB2  GLU  13           HB2      GLU  13  -1.531 -11.805   2.264
   95    HB3  GLU  13           HB3      GLU  13  -2.822 -12.938   2.630
   96    HG2  GLU  13           HG2      GLU  13  -1.472 -14.247   3.800
   97    HG3  GLU  13           HG3      GLU  13  -0.233 -14.232   2.550
   98    H    GLU  14           H        GLU  14  -4.342 -13.312   0.929
   99    HA   GLU  14           HA       GLU  14  -4.781 -11.752  -1.471
  100    HB2  GLU  14           HB2      GLU  14  -6.387 -13.410  -1.288
  101    HB3  GLU  14           HB3      GLU  14  -6.524 -13.240   0.454
  102    HG2  GLU  14           HG2      GLU  14  -8.540 -12.483  -0.644
  103    HG3  GLU  14           HG3      GLU  14  -7.728 -11.136   0.151
  104    H    PHE  15           H        PHE  15  -4.928  -9.619  -1.502
  105    HA   PHE  15           HA       PHE  15  -5.382  -8.218   1.045
  106    HB2  PHE  15           HB2      PHE  15  -4.053  -6.424   0.258
  107    HB3  PHE  15           HB3      PHE  15  -3.177  -7.890  -0.168
  108    HD1  PHE  15           HD1      PHE  15  -5.277  -5.166  -1.488
  109    HD2  PHE  15           HD2      PHE  15  -2.727  -8.441  -2.426
  110    HE1  PHE  15           HE1      PHE  15  -5.190  -4.420  -3.831
  111    HE2  PHE  15           HE2      PHE  15  -2.635  -7.701  -4.772
  112    HZ   PHE  15           HZ       PHE  15  -3.867  -5.689  -5.476
  113    H    VAL  16           H        VAL  16  -6.596  -6.265   1.038
  114    HA   VAL  16           HA       VAL  16  -8.445  -5.963  -1.221
  115    HB   VAL  16           HB       VAL  16 -10.246  -5.455   0.511
  116   HG11  VAL  16          HG11      VAL  16  -9.189  -8.080  -0.310
  117   HG12  VAL  16          HG12      VAL  16 -10.792  -7.379  -0.535
  118   HG13  VAL  16          HG13      VAL  16 -10.354  -8.100   1.014
  119   HG21  VAL  16          HG21      VAL  16  -8.236  -6.849   2.270
  120   HG22  VAL  16          HG22      VAL  16  -9.942  -6.666   2.679
  121   HG23  VAL  16          HG23      VAL  16  -8.924  -5.240   2.487
  122    H    VAL  17           H        VAL  17  -8.359  -3.940  -1.954
  123    HA   VAL  17           HA       VAL  17  -6.961  -1.866  -0.709
  124    HB   VAL  17           HB       VAL  17  -9.170  -1.495  -2.731
  125   HG11  VAL  17          HG11      VAL  17  -6.935   0.186  -1.708
  126   HG12  VAL  17          HG12      VAL  17  -8.592   0.636  -2.112
  127   HG13  VAL  17          HG13      VAL  17  -7.417   0.354  -3.397
  128   HG21  VAL  17          HG21      VAL  17  -6.926  -1.487  -4.215
  129   HG22  VAL  17          HG22      VAL  17  -7.925  -2.920  -3.967
  130   HG23  VAL  17          HG23      VAL  17  -6.477  -2.674  -2.989
  131    H    ALA  18           H        ALA  18  -7.614  -1.499   1.389
  132    HA   ALA  18           HA       ALA  18 -10.392  -0.881   1.961
  133    HB1  ALA  18           HB1      ALA  18  -8.520  -2.076   3.458
  134    HB2  ALA  18           HB2      ALA  18  -9.888  -1.202   4.147
  135    HB3  ALA  18           HB3      ALA  18  -8.316  -0.414   4.015
  136    H    GLU  19           H        GLU  19  -7.396   0.757   1.363
  137    HA   GLU  19           HA       GLU  19  -8.788   3.329   1.538
  138    HB2  GLU  19           HB2      GLU  19  -5.982   2.910   2.574
  139    HB3  GLU  19           HB3      GLU  19  -6.942   4.378   2.672
  140    HG2  GLU  19           HG2      GLU  19  -8.493   2.444   3.923
  141    HG3  GLU  19           HG3      GLU  19  -6.845   2.110   4.451
  142    H    GLU  20           H        GLU  20  -8.734   4.125  -0.467
  143    HA   GLU  20           HA       GLU  20  -7.175   3.295  -2.573
  144    HB2  GLU  20           HB2      GLU  20  -8.297   6.056  -2.077
  145    HB3  GLU  20           HB3      GLU  20  -7.684   5.493  -3.625
  146    HG2  GLU  20           HG2      GLU  20  -9.941   4.153  -2.162
  147    HG3  GLU  20           HG3      GLU  20 -10.177   5.440  -3.343
  148    H    CYS  21           H        CYS  21  -5.404   4.402  -3.716
  149    HA   CYS  21           HA       CYS  21  -3.342   5.087  -1.822
  150    HB2  CYS  21           HB2      CYS  21  -1.801   4.940  -3.678
  151    HB3  CYS  21           HB3      CYS  21  -2.866   3.546  -3.681
  152    H    SER  22           H        SER  22  -2.245   6.985  -1.645
  153    HA   SER  22           HA       SER  22  -3.202   9.261  -3.236
  154    HB2  SER  22           HB2      SER  22  -3.305   8.905  -0.291
  155    HB3  SER  22           HB3      SER  22  -2.802  10.491  -0.875
  156    HG   SER  22           HG       SER  22  -4.818  10.866  -1.273
  157    HA   PRO  23           HA       PRO  23   0.867  10.764  -3.881
  158    HB2  PRO  23           HB2      PRO  23   0.800  13.177  -2.406
  159    HB3  PRO  23           HB3      PRO  23   0.456  12.972  -4.123
  160    HG2  PRO  23           HG2      PRO  23  -1.419  13.149  -1.823
  161    HG3  PRO  23           HG3      PRO  23  -1.630  13.700  -3.495
  162    HD2  PRO  23           HD2      PRO  23  -2.863  11.506  -2.597
  163    HD3  PRO  23           HD3      PRO  23  -2.212  11.578  -4.247
  164    H    CYS  24           H        CYS  24   2.911  11.090  -2.901
  165    HA   CYS  24           HA       CYS  24   3.014  10.225  -0.088
  166    HB2  CYS  24           HB2      CYS  24   5.051   9.885  -2.296
  167    HB3  CYS  24           HB3      CYS  24   5.274   9.365  -0.633
  168    H    SER  25           H        SER  25   3.588  11.742   1.312
  169    HA   SER  25           HA       SER  25   4.444  14.309   0.646
  170    HB2  SER  25           HB2      SER  25   4.978  12.917   3.277
  171    HB3  SER  25           HB3      SER  25   4.819  14.651   2.998
  172    HG   SER  25           HG       SER  25   2.691  14.456   2.852
  173    H    ASN  26           H        ASN  26   6.591  15.014   2.141
  174    HA   ASN  26           HA       ASN  26   8.762  14.442   0.481
  175    HB2  ASN  26           HB2      ASN  26   8.405  15.780   3.112
  176    HB3  ASN  26           HB3      ASN  26  10.041  15.290   2.677
  177   HD21  ASN  26          HD21      ASN  26   7.226  17.007   1.394
  178   HD22  ASN  26          HD22      ASN  26   8.129  18.183   0.507
  179    H    PHE  27           H        PHE  27   8.187  13.319   3.817
  180    HA   PHE  27           HA       PHE  27  10.330  11.409   3.661
  181    HB2  PHE  27           HB2      PHE  27   8.389  12.301   5.721
  182    HB3  PHE  27           HB3      PHE  27   9.013  10.662   5.887
  183    HD1  PHE  27           HD1      PHE  27  11.676  10.545   5.477
  184    HD2  PHE  27           HD2      PHE  27   9.506  13.933   6.864
  185    HE1  PHE  27           HE1      PHE  27  13.725  11.428   6.516
  186    HE2  PHE  27           HE2      PHE  27  11.551  14.823   7.905
  187    HZ   PHE  27           HZ       PHE  27  13.665  13.569   7.731
  188    H    ARG  28           H        ARG  28   6.904  11.411   3.110
  189    HA   ARG  28           HA       ARG  28   6.322   8.698   3.408
  190    HB2  ARG  28           HB2      ARG  28   4.883  10.894   2.733
  191    HB3  ARG  28           HB3      ARG  28   4.984  10.092   1.173
  192    HG2  ARG  28           HG2      ARG  28   3.882   8.933   3.724
  193    HG3  ARG  28           HG3      ARG  28   2.964   9.433   2.302
  194    HD2  ARG  28           HD2      ARG  28   3.801   7.665   1.005
  195    HD3  ARG  28           HD3      ARG  28   5.108   7.338   2.141
  196    HE   ARG  28           HE       ARG  28   2.405   6.370   2.281
  197   HH11  ARG  28          HH11      ARG  28   5.288   7.084   4.113
  198   HH12  ARG  28          HH12      ARG  28   4.898   5.985   5.394
  199   HH21  ARG  28          HH21      ARG  28   1.889   4.925   3.964
  200   HH22  ARG  28          HH22      ARG  28   2.967   4.759   5.308
  201    H    ALA  29           H        ALA  29   7.193  10.459   0.429
  202    HA   ALA  29           HA       ALA  29   7.461   8.027  -1.075
  203    HB1  ALA  29           HB1      ALA  29   7.553   9.346  -2.903
  204    HB2  ALA  29           HB2      ALA  29   8.651  10.502  -2.148
  205    HB3  ALA  29           HB3      ALA  29   6.924  10.562  -1.791
  206    H    LYS  30           H        LYS  30   9.624  10.242   0.575
  207    HA   LYS  30           HA       LYS  30  12.057   9.423  -0.519
  208    HB2  LYS  30           HB2      LYS  30  11.221  10.716   2.027
  209    HB3  LYS  30           HB3      LYS  30  12.850  10.062   1.944
  210    HG2  LYS  30           HG2      LYS  30  11.705  12.031  -0.024
  211    HG3  LYS  30           HG3      LYS  30  12.702  12.464   1.366
  212    HD2  LYS  30           HD2      LYS  30  14.605  11.751   0.385
  213    HD3  LYS  30           HD3      LYS  30  13.814  10.374  -0.385
  214    HE2  LYS  30           HE2      LYS  30  14.630  11.983  -2.038
  215    HE3  LYS  30           HE3      LYS  30  12.873  11.843  -2.081
  216    HZ1  LYS  30           HZ1      LYS  30  13.735  14.157  -2.199
  217    HZ2  LYS  30           HZ2      LYS  30  14.309  13.985  -0.617
  218    HZ3  LYS  30           HZ3      LYS  30  12.650  13.891  -0.929
  219    H    THR  31           H        THR  31   9.995   7.890   1.826
  220    HA   THR  31           HA       THR  31  12.051   5.841   2.309
  221    HB   THR  31           HB       THR  31  10.616   5.179   4.248
  222    HG1  THR  31           HG1      THR  31   9.010   6.695   4.874
  223   HG21  THR  31          HG21      THR  31  11.768   6.532   5.565
  224   HG22  THR  31          HG22      THR  31  10.939   7.958   4.941
  225   HG23  THR  31          HG23      THR  31  12.356   7.325   4.103
  226    H    THR  32           H        THR  32   8.619   6.274   1.524
  227    HA   THR  32           HA       THR  32   8.154   3.490   1.085
  228    HB   THR  32           HB       THR  32   6.506   5.826   0.108
  229    HG1  THR  32           HG1      THR  32   6.579   4.516   2.609
  230   HG21  THR  32          HG21      THR  32   6.076   2.931   0.169
  231   HG22  THR  32          HG22      THR  32   5.322   4.177  -0.825
  232   HG23  THR  32          HG23      THR  32   4.753   3.899   0.821
  233    HA   PRO  33           HA       PRO  33   9.998   3.626  -3.026
  234    HB2  PRO  33           HB2      PRO  33   9.989   0.972  -3.471
  235    HB3  PRO  33           HB3      PRO  33  11.153   1.737  -2.384
  236    HG2  PRO  33           HG2      PRO  33   8.627   0.272  -1.726
  237    HG3  PRO  33           HG3      PRO  33  10.213   0.175  -0.940
  238    HD2  PRO  33           HD2      PRO  33   8.137   1.649   0.041
  239    HD3  PRO  33           HD3      PRO  33   9.842   2.056   0.319
  240    H    GLU  34           H        GLU  34   6.859   2.904  -2.098
  241    HA   GLU  34           HA       GLU  34   5.981   2.058  -4.745
  242    HB2  GLU  34           HB2      GLU  34   4.952   1.848  -2.040
  243    HB3  GLU  34           HB3      GLU  34   3.726   2.459  -3.142
  244    HG2  GLU  34           HG2      GLU  34   3.338   0.267  -3.448
  245    HG3  GLU  34           HG3      GLU  34   4.648   0.435  -4.617
  246    H    CYS  35           H        CYS  35   7.084   4.737  -4.318
  247    HA   CYS  35           HA       CYS  35   4.744   6.305  -5.170
  248    HB2  CYS  35           HB2      CYS  35   7.077   7.465  -3.652
  249    HB3  CYS  35           HB3      CYS  35   5.526   8.222  -3.999
  250    H    GLY  36           H        GLY  36   7.221   4.838  -6.424
  251    HA2  GLY  36           HA2      GLY  36   8.493   7.047  -7.817
  252    HA3  GLY  36           HA3      GLY  36   8.909   5.350  -7.957
  253    HA   PRO  37           HA       PRO  37   6.321   5.003 -11.533
  254    HB2  PRO  37           HB2      PRO  37   4.426   3.138 -11.150
  255    HB3  PRO  37           HB3      PRO  37   6.147   2.737 -11.168
  256    HG2  PRO  37           HG2      PRO  37   4.293   3.039  -8.853
  257    HG3  PRO  37           HG3      PRO  37   5.625   1.897  -9.085
  258    HD2  PRO  37           HD2      PRO  37   5.752   4.223  -7.582
  259    HD3  PRO  37           HD3      PRO  37   7.150   3.339  -8.219
  260    H    THR  38           H        THR  38   3.913   4.962  -8.888
  261    HA   THR  38           HA       THR  38   2.197   6.694 -10.534
  262    HB   THR  38           HB       THR  38   0.920   4.823  -9.940
  263    HG1  THR  38           HG1      THR  38  -0.634   5.661  -8.675
  264   HG21  THR  38          HG21      THR  38   1.880   3.478  -8.428
  265   HG22  THR  38          HG22      THR  38   0.823   4.336  -7.307
  266   HG23  THR  38          HG23      THR  38   2.511   4.821  -7.473
  267    H    GLY  39           H        GLY  39   3.821   6.424  -7.446
  268    HA2  GLY  39           HA2      GLY  39   4.468   8.158  -6.034
  269    HA3  GLY  39           HA3      GLY  39   3.553   9.279  -7.034
  270    H    TYR  40           H        TYR  40   1.501   6.817  -6.510
  271    HA   TYR  40           HA       TYR  40   0.330   8.077  -4.125
  272    HB2  TYR  40           HB2      TYR  40  -0.938   6.719  -6.505
  273    HB3  TYR  40           HB3      TYR  40  -1.824   7.054  -5.026
  274    HD1  TYR  40           HD1      TYR  40   0.596   9.077  -7.042
  275    HD2  TYR  40           HD2      TYR  40  -3.312   8.771  -5.390
  276    HE1  TYR  40           HE1      TYR  40   0.075  11.330  -7.872
  277    HE2  TYR  40           HE2      TYR  40  -3.844  11.025  -6.217
  278    HH   TYR  40           HH       TYR  40  -1.543  13.195  -7.249
  279    H    VAL  41           H        VAL  41   0.015   6.807  -2.350
  280    HA   VAL  41           HA       VAL  41   0.406   3.908  -2.708
  281    HB   VAL  41           HB       VAL  41   1.391   3.792  -0.494
  282   HG11  VAL  41          HG11      VAL  41   2.592   5.636  -2.512
  283   HG12  VAL  41          HG12      VAL  41   3.051   3.988  -2.086
  284   HG13  VAL  41          HG13      VAL  41   3.432   5.319  -0.994
  285   HG21  VAL  41          HG21      VAL  41   0.690   5.404   0.920
  286   HG22  VAL  41          HG22      VAL  41   0.499   6.594  -0.366
  287   HG23  VAL  41          HG23      VAL  41   2.096   6.277   0.311
  288    H    GLU  42           H        GLU  42  -1.153   2.615  -2.061
  289    HA   GLU  42           HA       GLU  42  -3.399   3.728  -0.534
  290    HB2  GLU  42           HB2      GLU  42  -4.521   1.556  -1.325
  291    HB3  GLU  42           HB3      GLU  42  -4.194   2.783  -2.536
  292    HG2  GLU  42           HG2      GLU  42  -2.797   1.465  -3.660
  293    HG3  GLU  42           HG3      GLU  42  -2.015   0.889  -2.192
  294    H    LYS  43           H        LYS  43  -4.568   1.990   0.818
  295    HA   LYS  43           HA       LYS  43  -2.566   0.521   2.404
  296    HB2  LYS  43           HB2      LYS  43  -4.155   2.615   3.265
  297    HB3  LYS  43           HB3      LYS  43  -5.033   1.195   3.816
  298    HG2  LYS  43           HG2      LYS  43  -3.446   0.620   5.321
  299    HG3  LYS  43           HG3      LYS  43  -2.124   1.246   4.333
  300    HD2  LYS  43           HD2      LYS  43  -2.090   2.892   5.874
  301    HD3  LYS  43           HD3      LYS  43  -3.427   3.539   4.921
  302    HE2  LYS  43           HE2      LYS  43  -4.982   3.001   6.485
  303    HE3  LYS  43           HE3      LYS  43  -4.115   1.557   7.006
  304    HZ1  LYS  43           HZ1      LYS  43  -2.787   2.761   8.425
  305    HZ2  LYS  43           HZ2      LYS  43  -4.253   3.594   8.565
  306    HZ3  LYS  43           HZ3      LYS  43  -3.012   4.220   7.601
  307    H    ILE  44           H        ILE  44  -2.823  -1.475   1.493
  308    HA   ILE  44           HA       ILE  44  -5.527  -2.613   1.378
  309    HB   ILE  44           HB       ILE  44  -4.346  -4.493   0.133
  310   HG12  ILE  44          HG12      ILE  44  -2.187  -2.657  -0.649
  311   HG13  ILE  44          HG13      ILE  44  -2.062  -3.254   1.003
  312   HG21  ILE  44          HG21      ILE  44  -5.602  -3.210  -1.271
  313   HG22  ILE  44          HG22      ILE  44  -3.998  -2.869  -1.920
  314   HG23  ILE  44          HG23      ILE  44  -4.771  -1.718  -0.830
  315   HD11  ILE  44          HD11      ILE  44  -2.267  -5.564   0.102
  316   HD12  ILE  44          HD12      ILE  44  -0.818  -4.702  -0.411
  317   HD13  ILE  44          HD13      ILE  44  -2.177  -4.879  -1.521
  318    H    THR  45           H        THR  45  -6.182  -4.148   2.745
  319    HA   THR  45           HA       THR  45  -4.262  -5.157   4.717
  320    HB   THR  45           HB       THR  45  -7.219  -5.602   4.895
  321    HG1  THR  45           HG1      THR  45  -5.876  -3.196   5.564
  322   HG21  THR  45          HG21      THR  45  -6.698  -5.095   7.326
  323   HG22  THR  45          HG22      THR  45  -5.000  -5.246   6.875
  324   HG23  THR  45          HG23      THR  45  -6.092  -6.616   6.671
  325    H    CYS  46           H        CYS  46  -3.829  -7.303   4.983
  326    HA   CYS  46           HA       CYS  46  -4.730  -9.064   2.844
  327    HB2  CYS  46           HB2      CYS  46  -2.559  -9.341   4.928
  328    HB3  CYS  46           HB3      CYS  46  -3.000 -10.632   3.823
  329    H    SER  47           H        SER  47  -6.374 -10.395   3.109
  330    HA   SER  47           HA       SER  47  -7.886 -10.721   5.386
  331    HB2  SER  47           HB2      SER  47  -8.783 -11.412   3.272
  332    HB3  SER  47           HB3      SER  47  -7.486 -12.582   3.037
  333    HG   SER  47           HG       SER  47  -9.601 -13.391   3.817
  334    H    SER  48           H        SER  48  -4.942 -12.307   4.454
  335    HA   SER  48           HA       SER  48  -5.146 -14.312   6.534
  336    HB2  SER  48           HB2      SER  48  -3.600 -13.971   4.129
  337    HB3  SER  48           HB3      SER  48  -2.520 -14.269   5.491
  338    HG   SER  48           HG       SER  48  -4.550 -15.897   4.435
  339    H    SER  49           H        SER  49  -4.996 -13.463   8.492
  340    HA   SER  49           HA       SER  49  -3.941 -12.746  10.388
  341    HB2  SER  49           HB2      SER  49  -1.714 -12.767   8.500
  342    HB3  SER  49           HB3      SER  49  -1.574 -11.472   9.685
  343    HG   SER  49           HG       SER  49  -2.068 -13.208  11.269
  344    H    LYS  50           H        LYS  50  -5.292 -11.029   8.089
  345    HA   LYS  50           HA       LYS  50  -5.809  -8.825   7.705
  346    HB2  LYS  50           HB2      LYS  50  -6.161  -9.445  10.553
  347    HB3  LYS  50           HB3      LYS  50  -6.049  -7.724  10.208
  348    HG2  LYS  50           HG2      LYS  50  -7.909  -9.512   8.683
  349    HG3  LYS  50           HG3      LYS  50  -8.365  -8.797  10.231
  350    HD2  LYS  50           HD2      LYS  50  -7.200  -6.882   8.355
  351    HD3  LYS  50           HD3      LYS  50  -8.689  -7.625   7.769
  352    HE2  LYS  50           HE2      LYS  50  -9.965  -6.705   9.428
  353    HE3  LYS  50           HE3      LYS  50  -8.625  -6.644  10.574
  354    HZ1  LYS  50           HZ1      LYS  50  -8.603  -4.918   8.189
  355    HZ2  LYS  50           HZ2      LYS  50  -7.835  -4.690   9.679
  356    HZ3  LYS  50           HZ3      LYS  50  -9.505  -4.467   9.547
  357    H    ARG  51           H        ARG  51  -3.599  -8.504   6.849
  358    HA   ARG  51           HA       ARG  51  -2.053  -6.673   8.555
  359    HB2  ARG  51           HB2      ARG  51  -1.244  -9.032   7.228
  360    HB3  ARG  51           HB3      ARG  51  -0.477  -7.695   6.395
  361    HG2  ARG  51           HG2      ARG  51   0.384  -6.894   8.576
  362    HG3  ARG  51           HG3      ARG  51  -0.293  -8.342   9.326
  363    HD2  ARG  51           HD2      ARG  51   1.144  -9.762   8.067
  364    HD3  ARG  51           HD3      ARG  51   1.670  -8.424   7.045
  365    HE   ARG  51           HE       ARG  51   2.748  -9.161   9.564
  366   HH11  ARG  51          HH11      ARG  51   2.035  -6.389   7.568
  367   HH12  ARG  51          HH12      ARG  51   3.274  -5.406   8.272
  368   HH21  ARG  51          HH21      ARG  51   4.379  -7.870  10.493
  369   HH22  ARG  51          HH22      ARG  51   4.606  -6.246   9.932
  370    H    ASN  52           H        ASN  52  -2.079  -4.651   7.931
  371    HA   ASN  52           HA       ASN  52  -2.927  -3.967   5.231
  372    HB2  ASN  52           HB2      ASN  52  -2.807  -1.580   6.215
  373    HB3  ASN  52           HB3      ASN  52  -4.075  -2.656   6.791
  374   HD21  ASN  52          HD21      ASN  52  -0.819  -1.514   7.537
  375   HD22  ASN  52          HD22      ASN  52  -0.987  -1.613   9.253
  376    H    GLU  53           H        GLU  53  -1.438  -3.839   3.715
  377    HA   GLU  53           HA       GLU  53   1.270  -2.973   4.429
  378    HB2  GLU  53           HB2      GLU  53   0.144  -4.827   2.463
  379    HB3  GLU  53           HB3      GLU  53   1.371  -3.765   1.791
  380    HG2  GLU  53           HG2      GLU  53   1.669  -5.645   4.120
  381    HG3  GLU  53           HG3      GLU  53   2.412  -5.784   2.527
  382    H    PHE  54           H        PHE  54   2.411  -1.606   2.825
  383    HA   PHE  54           HA       PHE  54   0.610   0.509   1.871
  384    HB2  PHE  54           HB2      PHE  54   3.499   0.499   2.717
  385    HB3  PHE  54           HB3      PHE  54   2.837   1.819   1.759
  386    HD1  PHE  54           HD1      PHE  54   0.408   2.595   2.763
  387    HD2  PHE  54           HD2      PHE  54   3.653   0.927   4.953
  388    HE1  PHE  54           HE1      PHE  54  -0.433   3.662   4.815
  389    HE2  PHE  54           HE2      PHE  54   2.819   1.991   7.009
  390    HZ   PHE  54           HZ       PHE  54   0.773   3.361   6.941
  391    H    LYS  55           H        LYS  55   0.036  -0.148  -0.150
  392    HA   LYS  55           HA       LYS  55   2.197  -0.761  -2.049
  393    HB2  LYS  55           HB2      LYS  55  -0.208  -2.075  -1.548
  394    HB3  LYS  55           HB3      LYS  55  -0.499  -1.202  -3.045
  395    HG2  LYS  55           HG2      LYS  55   1.082  -2.395  -4.208
  396    HG3  LYS  55           HG3      LYS  55   2.006  -2.790  -2.757
  397    HD2  LYS  55           HD2      LYS  55   0.873  -4.763  -3.640
  398    HD3  LYS  55           HD3      LYS  55   0.240  -4.329  -2.051
  399    HE2  LYS  55           HE2      LYS  55  -1.562  -4.930  -3.581
  400    HE3  LYS  55           HE3      LYS  55  -1.671  -3.236  -3.104
  401    HZ1  LYS  55           HZ1      LYS  55  -1.012  -2.520  -5.180
  402    HZ2  LYS  55           HZ2      LYS  55  -1.964  -3.864  -5.568
  403    HZ3  LYS  55           HZ3      LYS  55  -0.278  -3.988  -5.588
  404    H    SER  56           H        SER  56   1.420  -0.122  -4.407
  405    HA   SER  56           HA       SER  56   0.544   2.691  -4.286
  406    HB2  SER  56           HB2      SER  56   2.149   3.313  -5.847
  407    HB3  SER  56           HB3      SER  56   3.016   2.072  -4.943
  408    HG   SER  56           HG       SER  56   3.004   0.823  -6.644
  409    H    CYS  57           H        CYS  57  -1.034   3.353  -5.690
  410    HA   CYS  57           HA       CYS  57  -1.902   1.426  -7.734
  411    HB2  CYS  57           HB2      CYS  57  -4.091   1.354  -7.048
  412    HB3  CYS  57           HB3      CYS  57  -3.293   1.510  -5.497
  413    H    ARG  58           H        ARG  58  -3.703   2.542  -9.136
  414    HA   ARG  58           HA       ARG  58  -2.483   5.020 -10.075
  415    HB2  ARG  58           HB2      ARG  58  -4.725   3.610 -11.481
  416    HB3  ARG  58           HB3      ARG  58  -3.434   4.591 -12.156
  417    HG2  ARG  58           HG2      ARG  58  -2.346   2.735 -12.656
  418    HG3  ARG  58           HG3      ARG  58  -2.166   2.418 -10.930
  419    HD2  ARG  58           HD2      ARG  58  -4.162   1.119 -10.881
  420    HD3  ARG  58           HD3      ARG  58  -4.598   1.618 -12.514
  421    HE   ARG  58           HE       ARG  58  -2.890  -0.532 -11.794
  422   HH11  ARG  58          HH11      ARG  58  -3.341   1.952 -14.204
  423   HH12  ARG  58          HH12      ARG  58  -2.538   1.061 -15.453
  424   HH21  ARG  58          HH21      ARG  58  -1.834  -1.706 -13.435
  425   HH22  ARG  58          HH22      ARG  58  -1.682  -1.016 -15.016
  426    H    SER  59           H        SER  59  -3.336   6.930  -9.618
  427    HA   SER  59           HA       SER  59  -5.951   7.075  -8.372
  428    HB2  SER  59           HB2      SER  59  -3.562   8.505  -8.088
  429    HB3  SER  59           HB3      SER  59  -4.687   9.646  -8.824
  430    HG   SER  59           HG       SER  59  -5.319   8.076  -6.550
  431    H    ALA  60           H        ALA  60  -4.428   7.872 -11.401
  432    HA   ALA  60           HA       ALA  60  -6.312   9.691 -12.408
  433    HB1  ALA  60           HB1      ALA  60  -4.966   7.795 -14.262
  434    HB2  ALA  60           HB2      ALA  60  -3.966   8.888 -13.305
  435    HB3  ALA  60           HB3      ALA  60  -5.191   9.540 -14.393
  436    H    LEU  61           H        LEU  61  -6.556   6.318 -11.851
  437    HA   LEU  61           HA       LEU  61  -8.932   6.161 -13.582
  438    HB2  LEU  61           HB2      LEU  61  -7.002   4.068 -12.623
  439    HB3  LEU  61           HB3      LEU  61  -8.598   3.634 -13.205
  440    HG   LEU  61           HG       LEU  61  -7.921   4.985 -15.326
  441   HD11  LEU  61          HD11      LEU  61  -5.721   5.596 -13.937
  442   HD12  LEU  61          HD12      LEU  61  -5.743   5.473 -15.697
  443   HD13  LEU  61          HD13      LEU  61  -5.159   4.122 -14.725
  444   HD21  LEU  61          HD21      LEU  61  -8.323   2.564 -15.236
  445   HD22  LEU  61          HD22      LEU  61  -6.657   2.315 -14.717
  446   HD23  LEU  61          HD23      LEU  61  -6.991   2.973 -16.319
  447    H    MET  62           H        MET  62  -7.694   5.743 -10.344
  448    HA   MET  62           HA       MET  62  -9.906   4.429  -9.212
  449    HB2  MET  62           HB2      MET  62  -7.649   6.066  -8.148
  450    HB3  MET  62           HB3      MET  62  -9.004   5.719  -7.082
  451    HG2  MET  62           HG2      MET  62  -7.310   3.679  -8.506
  452    HG3  MET  62           HG3      MET  62  -7.203   4.109  -6.800
  453    HE1  MET  62           HE1      MET  62  -8.888   0.799  -8.550
  454    HE2  MET  62           HE2      MET  62  -8.198   0.615  -6.938
  455    HE3  MET  62           HE3      MET  62  -7.326   1.525  -8.172
  456    H    GLU  63           H        GLU  63  -9.063   7.890  -9.240
  457    HA   GLU  63           HA       GLU  63 -11.888   8.568  -9.300
  458    HB2  GLU  63           HB2      GLU  63 -10.779   8.430  -6.852
  459    HB3  GLU  63           HB3      GLU  63 -10.333  10.077  -7.275
  460    HG2  GLU  63           HG2      GLU  63 -12.337  10.413  -6.230
  461    HG3  GLU  63           HG3      GLU  63 -12.849  10.295  -7.913
  462    H    GLN  64           H        GLN  64 -11.482   9.416 -11.347
  463    HA   GLN  64           HA       GLN  64 -10.167  12.027 -11.317
  464    HB2  GLN  64           HB2      GLN  64  -8.806   9.917 -12.321
  465    HB3  GLN  64           HB3      GLN  64  -9.691  10.418 -13.755
  466    HG2  GLN  64           HG2      GLN  64  -8.746  12.798 -12.854
  467    HG3  GLN  64           HG3      GLN  64  -7.454  11.700 -12.373
  468   HE21  GLN  64          HE21      GLN  64  -7.606   9.855 -14.434
  469   HE22  GLN  64          HE22      GLN  64  -7.126  10.619 -15.908
  470    H    ARG  65           H        ARG  65 -12.037  13.156 -11.572
  471    HA   ARG  65           HA       ARG  65 -13.832  14.083 -12.616
  472    HB2  ARG  65           HB2      ARG  65 -12.274  12.943 -14.899
  473    HB3  ARG  65           HB3      ARG  65 -13.882  13.585 -15.203
  474    HG2  ARG  65           HG2      ARG  65 -12.889  15.635 -13.829
  475    HG3  ARG  65           HG3      ARG  65 -11.382  14.986 -14.477
  476    HD2  ARG  65           HD2      ARG  65 -12.401  16.719 -15.922
  477    HD3  ARG  65           HD3      ARG  65 -12.216  15.161 -16.727
  478    HE   ARG  65           HE       ARG  65 -14.798  15.540 -15.523
  479   HH11  ARG  65          HH11      ARG  65 -12.863  16.091 -18.375
  480   HH12  ARG  65          HH12      ARG  65 -14.230  16.209 -19.432
  481   HH21  ARG  65          HH21      ARG  65 -16.596  15.695 -16.912
  482   HH22  ARG  65          HH22      ARG  65 -16.349  15.985 -18.602
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  19.412 -19.950   2.715
    2    H2   GLY   1           H2       GLY   1  19.067 -18.429   2.061
    3    H3   GLY   1           H3       GLY   1  19.683 -18.553   3.631
    4    HA2  GLY   1           HA2      GLY   1  21.584 -19.834   2.255
    5    HA3  GLY   1           HA3      GLY   1  21.059 -18.634   1.085
    6    H    SER   2           H        SER   2  21.882 -16.643   1.228
    7    HA   SER   2           HA       SER   2  22.986 -15.738   3.787
    8    HB2  SER   2           HB2      SER   2  24.879 -14.746   2.155
    9    HB3  SER   2           HB3      SER   2  25.033 -16.312   2.950
   10    HG   SER   2           HG       SER   2  24.314 -15.743   0.283
   11    H    GLY   3           H        GLY   3  21.339 -14.241   4.007
   12    HA2  GLY   3           HA2      GLY   3  21.718 -11.707   2.917
   13    HA3  GLY   3           HA3      GLY   3  20.484 -12.496   1.946
   14    H    MET   4           H        MET   4  18.816 -11.152   2.564
   15    HA   MET   4           HA       MET   4  17.905 -11.514   5.336
   16    HB2  MET   4           HB2      MET   4  18.149  -8.974   3.763
   17    HB3  MET   4           HB3      MET   4  16.902  -9.125   4.992
   18    HG2  MET   4           HG2      MET   4  18.464  -9.342   6.717
   19    HG3  MET   4           HG3      MET   4  19.778  -9.700   5.598
   20    HE1  MET   4           HE1      MET   4  17.108  -6.669   5.229
   21    HE2  MET   4           HE2      MET   4  17.905  -5.570   6.354
   22    HE3  MET   4           HE3      MET   4  17.294  -7.123   6.923
   23    H    LYS   5           H        LYS   5  15.520 -10.838   5.528
   24    HA   LYS   5           HA       LYS   5  14.048 -11.619   3.102
   25    HB2  LYS   5           HB2      LYS   5  13.948 -12.800   5.830
   26    HB3  LYS   5           HB3      LYS   5  12.426 -12.640   4.966
   27    HG2  LYS   5           HG2      LYS   5  12.966 -14.675   4.187
   28    HG3  LYS   5           HG3      LYS   5  13.940 -13.752   3.041
   29    HD2  LYS   5           HD2      LYS   5  15.917 -14.107   4.293
   30    HD3  LYS   5           HD3      LYS   5  15.013 -14.710   5.683
   31    HE2  LYS   5           HE2      LYS   5  14.476 -16.725   4.587
   32    HE3  LYS   5           HE3      LYS   5  14.956 -16.089   3.015
   33    HZ1  LYS   5           HZ1      LYS   5  16.736 -16.790   5.282
   34    HZ2  LYS   5           HZ2      LYS   5  17.261 -15.977   3.894
   35    HZ3  LYS   5           HZ3      LYS   5  16.652 -17.549   3.773
   36    H    GLU   6           H        GLU   6  13.213  -9.670   2.564
   37    HA   GLU   6           HA       GLU   6  11.437  -8.409   4.538
   38    HB2  GLU   6           HB2      GLU   6  12.077  -6.193   3.637
   39    HB3  GLU   6           HB3      GLU   6  13.418  -7.025   4.414
   40    HG2  GLU   6           HG2      GLU   6  13.704  -7.827   1.831
   41    HG3  GLU   6           HG3      GLU   6  13.071  -6.193   1.633
   42    H    PHE   7           H        PHE   7   9.552  -9.176   3.683
   43    HA   PHE   7           HA       PHE   7   8.855  -8.160   1.019
   44    HB2  PHE   7           HB2      PHE   7   7.399 -10.433   1.036
   45    HB3  PHE   7           HB3      PHE   7   8.992 -10.310   0.301
   46    HD1  PHE   7           HD1      PHE   7   7.156 -11.424   3.299
   47    HD2  PHE   7           HD2      PHE   7  10.833 -11.521   1.157
   48    HE1  PHE   7           HE1      PHE   7   7.964 -13.221   4.773
   49    HE2  PHE   7           HE2      PHE   7  11.646 -13.319   2.627
   50    HZ   PHE   7           HZ       PHE   7  10.210 -14.171   4.438
   51    HA   PRO   8           HA       PRO   8   5.048  -7.013   2.960
   52    HB2  PRO   8           HB2      PRO   8   3.345  -6.921   0.923
   53    HB3  PRO   8           HB3      PRO   8   4.782  -5.890   0.930
   54    HG2  PRO   8           HG2      PRO   8   4.301  -8.457  -0.531
   55    HG3  PRO   8           HG3      PRO   8   5.090  -6.978  -1.102
   56    HD2  PRO   8           HD2      PRO   8   6.413  -9.225  -0.163
   57    HD3  PRO   8           HD3      PRO   8   7.108  -7.596  -0.245
   58    H    CYS   9           H        CYS   9   2.468  -7.629   2.543
   59    HA   CYS   9           HA       CYS   9   2.344 -10.483   3.232
   60    HB2  CYS   9           HB2      CYS   9   0.279  -9.996   4.403
   61    HB3  CYS   9           HB3      CYS   9   1.533  -8.894   4.954
   62    H    TRP  10           H        TRP  10   1.160  -8.058   1.033
   63    HA   TRP  10           HA       TRP  10  -0.986  -9.561  -0.045
   64    HB2  TRP  10           HB2      TRP  10  -0.709  -7.946  -2.012
   65    HB3  TRP  10           HB3      TRP  10  -1.090  -7.251  -0.446
   66    HD1  TRP  10           HD1      TRP  10   0.815  -5.792   0.755
   67    HE1  TRP  10           HE1      TRP  10   2.905  -4.619  -0.181
   68    HE3  TRP  10           HE3      TRP  10   1.134  -8.179  -3.749
   69    HZ2  TRP  10           HZ2      TRP  10   4.483  -4.696  -2.521
   70    HZ3  TRP  10           HZ3      TRP  10   2.961  -7.570  -5.283
   71    HH2  TRP  10           HH2      TRP  10   4.600  -5.863  -4.679
   72    H    LEU  11           H        LEU  11   2.428  -9.614  -0.545
   73    HA   LEU  11           HA       LEU  11   2.360 -10.862  -3.112
   74    HB2  LEU  11           HB2      LEU  11   4.474 -10.370  -1.053
   75    HB3  LEU  11           HB3      LEU  11   4.798 -11.454  -2.395
   76    HG   LEU  11           HG       LEU  11   3.973  -8.560  -2.654
   77   HD11  LEU  11          HD11      LEU  11   6.499  -9.705  -2.072
   78   HD12  LEU  11          HD12      LEU  11   6.116  -8.024  -2.441
   79   HD13  LEU  11          HD13      LEU  11   6.544  -9.136  -3.740
   80   HD21  LEU  11          HD21      LEU  11   4.818  -9.050  -5.050
   81   HD22  LEU  11          HD22      LEU  11   3.198  -9.574  -4.590
   82   HD23  LEU  11          HD23      LEU  11   4.524 -10.739  -4.634
   83    H    VAL  12           H        VAL  12   1.867 -11.966   0.079
   84    HA   VAL  12           HA       VAL  12   2.005 -14.749  -0.868
   85    HB   VAL  12           HB       VAL  12   2.543 -15.341   1.565
   86   HG11  VAL  12          HG11      VAL  12   5.025 -14.693   1.164
   87   HG12  VAL  12          HG12      VAL  12   4.438 -14.113  -0.394
   88   HG13  VAL  12          HG13      VAL  12   4.228 -15.806   0.052
   89   HG21  VAL  12          HG21      VAL  12   4.013 -12.875   1.970
   90   HG22  VAL  12          HG22      VAL  12   2.949 -13.749   3.071
   91   HG23  VAL  12          HG23      VAL  12   2.272 -12.604   1.914
   92    H    GLU  13           H        GLU  13  -0.017 -12.369   0.103
   93    HA   GLU  13           HA       GLU  13  -2.019 -14.300   1.013
   94    HB2  GLU  13           HB2      GLU  13  -1.497 -11.657   2.388
   95    HB3  GLU  13           HB3      GLU  13  -2.801 -12.769   2.767
   96    HG2  GLU  13           HG2      GLU  13  -1.508 -13.962   4.102
   97    HG3  GLU  13           HG3      GLU  13  -0.253 -14.102   2.876
   98    H    GLU  14           H        GLU  14  -4.221 -13.015   1.220
   99    HA   GLU  14           HA       GLU  14  -4.575 -11.668  -1.350
  100    HB2  GLU  14           HB2      GLU  14  -6.861 -12.301   0.466
  101    HB3  GLU  14           HB3      GLU  14  -6.797 -12.305  -1.288
  102    HG2  GLU  14           HG2      GLU  14  -5.377 -14.354  -1.154
  103    HG3  GLU  14           HG3      GLU  14  -5.686 -14.381   0.581
  104    H    PHE  15           H        PHE  15  -4.609  -9.527  -1.429
  105    HA   PHE  15           HA       PHE  15  -5.197  -8.038   1.028
  106    HB2  PHE  15           HB2      PHE  15  -3.895  -6.255   0.181
  107    HB3  PHE  15           HB3      PHE  15  -2.992  -7.717  -0.198
  108    HD1  PHE  15           HD1      PHE  15  -5.094  -5.041  -1.592
  109    HD2  PHE  15           HD2      PHE  15  -2.586  -8.370  -2.450
  110    HE1  PHE  15           HE1      PHE  15  -5.020  -4.370  -3.957
  111    HE2  PHE  15           HE2      PHE  15  -2.507  -7.705  -4.817
  112    HZ   PHE  15           HZ       PHE  15  -3.726  -5.702  -5.572
  113    H    VAL  16           H        VAL  16  -6.426  -6.092   0.923
  114    HA   VAL  16           HA       VAL  16  -8.240  -5.869  -1.363
  115    HB   VAL  16           HB       VAL  16 -10.099  -5.402   0.354
  116   HG11  VAL  16          HG11      VAL  16 -10.568  -7.260  -0.863
  117   HG12  VAL  16          HG12      VAL  16 -10.287  -8.036   0.696
  118   HG13  VAL  16          HG13      VAL  16  -9.011  -8.014  -0.521
  119   HG21  VAL  16          HG21      VAL  16  -9.851  -5.949   2.531
  120   HG22  VAL  16          HG22      VAL  16  -8.145  -5.664   2.189
  121   HG23  VAL  16          HG23      VAL  16  -8.783  -7.308   2.178
  122    H    VAL  17           H        VAL  17  -8.250  -3.831  -2.064
  123    HA   VAL  17           HA       VAL  17  -6.920  -1.733  -0.788
  124    HB   VAL  17           HB       VAL  17  -9.134  -1.409  -2.815
  125   HG11  VAL  17          HG11      VAL  17  -8.671   0.744  -2.275
  126   HG12  VAL  17          HG12      VAL  17  -7.343   0.492  -3.408
  127   HG13  VAL  17          HG13      VAL  17  -7.057   0.360  -1.674
  128   HG21  VAL  17          HG21      VAL  17  -6.389  -2.466  -3.074
  129   HG22  VAL  17          HG22      VAL  17  -6.894  -1.293  -4.290
  130   HG23  VAL  17          HG23      VAL  17  -7.823  -2.774  -4.054
  131    H    ALA  18           H        ALA  18  -7.586  -1.414   1.313
  132    HA   ALA  18           HA       ALA  18 -10.379  -0.894   1.900
  133    HB1  ALA  18           HB1      ALA  18  -8.247  -0.371   3.906
  134    HB2  ALA  18           HB2      ALA  18  -8.514  -2.039   3.396
  135    HB3  ALA  18           HB3      ALA  18  -9.835  -1.114   4.108
  136    H    GLU  19           H        GLU  19  -7.436   0.851   1.322
  137    HA   GLU  19           HA       GLU  19  -8.923   3.373   1.439
  138    HB2  GLU  19           HB2      GLU  19  -6.121   3.086   2.526
  139    HB3  GLU  19           HB3      GLU  19  -7.160   4.500   2.614
  140    HG2  GLU  19           HG2      GLU  19  -8.638   2.521   3.847
  141    HG3  GLU  19           HG3      GLU  19  -6.984   2.207   4.372
  142    H    GLU  20           H        GLU  20  -8.806   4.252  -0.529
  143    HA   GLU  20           HA       GLU  20  -7.251   3.413  -2.631
  144    HB2  GLU  20           HB2      GLU  20  -8.321   6.187  -2.102
  145    HB3  GLU  20           HB3      GLU  20  -7.685   5.647  -3.650
  146    HG2  GLU  20           HG2      GLU  20  -9.443   3.823  -3.568
  147    HG3  GLU  20           HG3      GLU  20 -10.160   4.722  -2.231
  148    H    CYS  21           H        CYS  21  -5.502   4.653  -3.786
  149    HA   CYS  21           HA       CYS  21  -3.419   5.228  -1.851
  150    HB2  CYS  21           HB2      CYS  21  -1.856   5.015  -3.678
  151    HB3  CYS  21           HB3      CYS  21  -2.960   3.652  -3.691
  152    H    SER  22           H        SER  22  -2.264   7.100  -1.702
  153    HA   SER  22           HA       SER  22  -3.158   9.376  -3.326
  154    HB2  SER  22           HB2      SER  22  -2.573   9.892  -0.454
  155    HB3  SER  22           HB3      SER  22  -3.717  10.691  -1.532
  156    HG   SER  22           HG       SER  22  -4.285   8.913   0.265
  157    HA   PRO  23           HA       PRO  23   0.947  10.796  -3.933
  158    HB2  PRO  23           HB2      PRO  23   0.315  13.162  -2.218
  159    HB3  PRO  23           HB3      PRO  23   1.054  13.101  -3.824
  160    HG2  PRO  23           HG2      PRO  23  -1.496  13.793  -3.542
  161    HG3  PRO  23           HG3      PRO  23  -0.980  12.764  -4.892
  162    HD2  PRO  23           HD2      PRO  23  -2.451  12.037  -2.405
  163    HD3  PRO  23           HD3      PRO  23  -2.575  11.346  -4.034
  164    H    CYS  24           H        CYS  24   2.989  11.129  -2.915
  165    HA   CYS  24           HA       CYS  24   3.036  10.256  -0.103
  166    HB2  CYS  24           HB2      CYS  24   5.141   9.928  -2.249
  167    HB3  CYS  24           HB3      CYS  24   5.281   9.364  -0.591
  168    H    SER  25           H        SER  25   3.572  11.779   1.306
  169    HA   SER  25           HA       SER  25   4.456  14.338   0.677
  170    HB2  SER  25           HB2      SER  25   4.142  12.743   3.132
  171    HB3  SER  25           HB3      SER  25   5.347  14.026   3.247
  172    HG   SER  25           HG       SER  25   3.808  15.522   2.844
  173    H    ASN  26           H        ASN  26   6.589  15.078   2.110
  174    HA   ASN  26           HA       ASN  26   8.767  14.369   0.481
  175    HB2  ASN  26           HB2      ASN  26   8.572  15.841   3.102
  176    HB3  ASN  26           HB3      ASN  26  10.116  15.571   2.300
  177   HD21  ASN  26          HD21      ASN  26  10.389  16.435   0.158
  178   HD22  ASN  26          HD22      ASN  26   9.527  17.858  -0.307
  179    H    PHE  27           H        PHE  27   7.603  13.084   3.508
  180    HA   PHE  27           HA       PHE  27  10.018  11.499   3.893
  181    HB2  PHE  27           HB2      PHE  27   8.312  12.654   5.679
  182    HB3  PHE  27           HB3      PHE  27   7.710  11.000   5.656
  183    HD1  PHE  27           HD1      PHE  27  10.183   9.465   5.284
  184    HD2  PHE  27           HD2      PHE  27   9.400  12.875   7.707
  185    HE1  PHE  27           HE1      PHE  27  11.988   8.787   6.813
  186    HE2  PHE  27           HE2      PHE  27  11.204  12.204   9.240
  187    HZ   PHE  27           HZ       PHE  27  12.500  10.159   8.794
  188    H    ARG  28           H        ARG  28   6.635  11.095   3.013
  189    HA   ARG  28           HA       ARG  28   6.379   8.346   3.165
  190    HB2  ARG  28           HB2      ARG  28   5.185  10.347   1.264
  191    HB3  ARG  28           HB3      ARG  28   4.764   8.643   1.199
  192    HG2  ARG  28           HG2      ARG  28   4.520  10.191   3.748
  193    HG3  ARG  28           HG3      ARG  28   3.253  10.240   2.520
  194    HD2  ARG  28           HD2      ARG  28   2.461   8.452   3.639
  195    HD3  ARG  28           HD3      ARG  28   3.659   7.582   2.681
  196    HE   ARG  28           HE       ARG  28   4.808   8.534   5.088
  197   HH11  ARG  28          HH11      ARG  28   2.660   6.072   3.862
  198   HH12  ARG  28          HH12      ARG  28   3.012   4.954   5.136
  199   HH21  ARG  28          HH21      ARG  28   5.272   7.064   6.765
  200   HH22  ARG  28          HH22      ARG  28   4.494   5.517   6.785
  201    H    ALA  29           H        ALA  29   7.036  10.088   0.121
  202    HA   ALA  29           HA       ALA  29   7.822   7.820  -1.318
  203    HB1  ALA  29           HB1      ALA  29   7.262   9.610  -2.660
  204    HB2  ALA  29           HB2      ALA  29   9.022   9.618  -2.770
  205    HB3  ALA  29           HB3      ALA  29   8.200  10.757  -1.705
  206    H    LYS  30           H        LYS  30   9.524   9.661   1.031
  207    HA   LYS  30           HA       LYS  30  12.172   9.294   0.217
  208    HB2  LYS  30           HB2      LYS  30  11.042  10.596   2.257
  209    HB3  LYS  30           HB3      LYS  30  11.545   9.150   3.121
  210    HG2  LYS  30           HG2      LYS  30  13.374  10.486   3.417
  211    HG3  LYS  30           HG3      LYS  30  13.840   9.619   1.952
  212    HD2  LYS  30           HD2      LYS  30  12.391  12.241   1.808
  213    HD3  LYS  30           HD3      LYS  30  14.142  12.179   2.018
  214    HE2  LYS  30           HE2      LYS  30  14.123  10.612  -0.018
  215    HE3  LYS  30           HE3      LYS  30  12.487  11.210  -0.289
  216    HZ1  LYS  30           HZ1      LYS  30  13.240  13.322  -0.743
  217    HZ2  LYS  30           HZ2      LYS  30  14.473  12.380  -1.420
  218    HZ3  LYS  30           HZ3      LYS  30  14.698  13.115   0.087
  219    H    THR  31           H        THR  31  10.228   7.304   2.452
  220    HA   THR  31           HA       THR  31  12.217   5.165   2.164
  221    HB   THR  31           HB       THR  31  10.305   4.425   4.099
  222    HG1  THR  31           HG1      THR  31  11.138   7.117   4.407
  223   HG21  THR  31          HG21      THR  31  12.736   3.977   4.172
  224   HG22  THR  31          HG22      THR  31  12.083   4.614   5.682
  225   HG23  THR  31          HG23      THR  31  12.995   5.668   4.602
  226    H    THR  32           H        THR  32   8.779   5.859   1.841
  227    HA   THR  32           HA       THR  32   7.940   3.236   1.229
  228    HB   THR  32           HB       THR  32   6.665   5.814   0.308
  229    HG1  THR  32           HG1      THR  32   6.340   4.416   2.754
  230   HG21  THR  32          HG21      THR  32   5.385   4.226  -0.707
  231   HG22  THR  32          HG22      THR  32   4.586   4.327   0.862
  232   HG23  THR  32          HG23      THR  32   5.711   3.011   0.528
  233    HA   PRO  33           HA       PRO  33   9.782   3.242  -2.893
  234    HB2  PRO  33           HB2      PRO  33   9.567   0.604  -3.347
  235    HB3  PRO  33           HB3      PRO  33  10.789   1.266  -2.256
  236    HG2  PRO  33           HG2      PRO  33   8.159  -0.006  -1.606
  237    HG3  PRO  33           HG3      PRO  33   9.733  -0.225  -0.819
  238    HD2  PRO  33           HD2      PRO  33   7.760   1.406   0.153
  239    HD3  PRO  33           HD3      PRO  33   9.488   1.656   0.465
  240    H    GLU  34           H        GLU  34   6.612   2.790  -1.922
  241    HA   GLU  34           HA       GLU  34   5.626   2.008  -4.552
  242    HB2  GLU  34           HB2      GLU  34   4.345   2.357  -1.856
  243    HB3  GLU  34           HB3      GLU  34   3.365   2.247  -3.311
  244    HG2  GLU  34           HG2      GLU  34   3.382   0.060  -2.769
  245    HG3  GLU  34           HG3      GLU  34   4.885   0.098  -3.690
  246    H    CYS  35           H        CYS  35   6.959   4.535  -4.321
  247    HA   CYS  35           HA       CYS  35   4.740   6.300  -5.085
  248    HB2  CYS  35           HB2      CYS  35   7.186   7.256  -3.598
  249    HB3  CYS  35           HB3      CYS  35   5.728   8.169  -3.968
  250    H    GLY  36           H        GLY  36   7.112   4.629  -6.329
  251    HA2  GLY  36           HA2      GLY  36   8.567   6.676  -7.759
  252    HA3  GLY  36           HA3      GLY  36   8.739   4.942  -7.956
  253    HA   PRO  37           HA       PRO  37   6.062   5.010 -11.459
  254    HB2  PRO  37           HB2      PRO  37   3.941   3.377 -11.009
  255    HB3  PRO  37           HB3      PRO  37   5.587   2.786 -11.246
  256    HG2  PRO  37           HG2      PRO  37   4.012   3.051  -8.743
  257    HG3  PRO  37           HG3      PRO  37   5.244   1.859  -9.180
  258    HD2  PRO  37           HD2      PRO  37   5.633   4.062  -7.529
  259    HD3  PRO  37           HD3      PRO  37   6.912   3.123  -8.317
  260    H    THR  38           H        THR  38   3.194   4.580  -9.441
  261    HA   THR  38           HA       THR  38   1.878   6.765 -10.730
  262    HB   THR  38           HB       THR  38   0.564   4.848 -10.082
  263    HG1  THR  38           HG1      THR  38  -1.050   5.895  -8.903
  264   HG21  THR  38          HG21      THR  38   0.808   3.726  -8.203
  265   HG22  THR  38          HG22      THR  38   0.423   5.161  -7.253
  266   HG23  THR  38          HG23      THR  38   2.089   4.846  -7.736
  267    H    GLY  39           H        GLY  39   3.596   6.317  -7.731
  268    HA2  GLY  39           HA2      GLY  39   4.415   7.961  -6.303
  269    HA3  GLY  39           HA3      GLY  39   3.540   9.168  -7.238
  270    H    TYR  40           H        TYR  40   1.367   6.811  -6.650
  271    HA   TYR  40           HA       TYR  40   0.355   8.126  -4.222
  272    HB2  TYR  40           HB2      TYR  40  -1.054   6.817  -6.550
  273    HB3  TYR  40           HB3      TYR  40  -1.873   7.178  -5.040
  274    HD1  TYR  40           HD1      TYR  40   0.562   9.141  -7.094
  275    HD2  TYR  40           HD2      TYR  40  -3.329   8.933  -5.387
  276    HE1  TYR  40           HE1      TYR  40   0.094  11.414  -7.899
  277    HE2  TYR  40           HE2      TYR  40  -3.807  11.207  -6.189
  278    HH   TYR  40           HH       TYR  40  -2.786  12.682  -8.259
  279    H    VAL  41           H        VAL  41   0.032   6.879  -2.430
  280    HA   VAL  41           HA       VAL  41   0.321   3.965  -2.773
  281    HB   VAL  41           HB       VAL  41   1.316   3.844  -0.557
  282   HG11  VAL  41          HG11      VAL  41   2.571   5.627  -2.603
  283   HG12  VAL  41          HG12      VAL  41   2.955   3.956  -2.187
  284   HG13  VAL  41          HG13      VAL  41   3.413   5.263  -1.096
  285   HG21  VAL  41          HG21      VAL  41   0.641   6.735  -0.514
  286   HG22  VAL  41          HG22      VAL  41   2.122   6.225   0.296
  287   HG23  VAL  41          HG23      VAL  41   0.571   5.537   0.778
  288    H    GLU  42           H        GLU  42  -1.241   2.709  -2.064
  289    HA   GLU  42           HA       GLU  42  -3.458   3.899  -0.554
  290    HB2  GLU  42           HB2      GLU  42  -4.604   1.700  -1.295
  291    HB3  GLU  42           HB3      GLU  42  -4.319   2.938  -2.504
  292    HG2  GLU  42           HG2      GLU  42  -2.893   1.666  -3.661
  293    HG3  GLU  42           HG3      GLU  42  -2.146   1.010  -2.208
  294    H    LYS  43           H        LYS  43  -4.664   2.153   0.805
  295    HA   LYS  43           HA       LYS  43  -2.664   0.770   2.467
  296    HB2  LYS  43           HB2      LYS  43  -4.296   2.800   3.276
  297    HB3  LYS  43           HB3      LYS  43  -5.263   1.396   3.699
  298    HG2  LYS  43           HG2      LYS  43  -3.698   0.613   5.219
  299    HG3  LYS  43           HG3      LYS  43  -2.389   1.556   4.503
  300    HD2  LYS  43           HD2      LYS  43  -3.054   3.509   5.533
  301    HD3  LYS  43           HD3      LYS  43  -4.728   2.974   5.700
  302    HE2  LYS  43           HE2      LYS  43  -3.457   3.075   7.846
  303    HE3  LYS  43           HE3      LYS  43  -4.151   1.494   7.483
  304    HZ1  LYS  43           HZ1      LYS  43  -1.364   2.131   6.746
  305    HZ2  LYS  43           HZ2      LYS  43  -2.082   0.615   6.976
  306    HZ3  LYS  43           HZ3      LYS  43  -1.748   1.604   8.307
  307    H    ILE  44           H        ILE  44  -2.812  -1.192   1.403
  308    HA   ILE  44           HA       ILE  44  -5.415  -2.482   1.166
  309    HB   ILE  44           HB       ILE  44  -4.216  -4.269  -0.011
  310   HG12  ILE  44          HG12      ILE  44  -1.718  -3.390  -0.591
  311   HG13  ILE  44          HG13      ILE  44  -1.872  -2.823   1.069
  312   HG21  ILE  44          HG21      ILE  44  -4.152  -3.131  -1.961
  313   HG22  ILE  44          HG22      ILE  44  -3.111  -1.863  -1.315
  314   HG23  ILE  44          HG23      ILE  44  -4.840  -1.846  -0.967
  315   HD11  ILE  44          HD11      ILE  44  -1.974  -5.626   0.035
  316   HD12  ILE  44          HD12      ILE  44  -2.592  -5.200   1.628
  317   HD13  ILE  44          HD13      ILE  44  -0.894  -4.928   1.241
  318    H    THR  45           H        THR  45  -6.129  -4.089   2.441
  319    HA   THR  45           HA       THR  45  -4.383  -4.938   4.646
  320    HB   THR  45           HB       THR  45  -7.397  -5.092   4.434
  321    HG1  THR  45           HG1      THR  45  -5.776  -3.292   5.907
  322   HG21  THR  45          HG21      THR  45  -7.121  -6.569   6.099
  323   HG22  THR  45          HG22      THR  45  -6.876  -5.116   7.067
  324   HG23  THR  45          HG23      THR  45  -5.486  -6.018   6.465
  325    H    CYS  46           H        CYS  46  -3.757  -7.001   4.832
  326    HA   CYS  46           HA       CYS  46  -4.578  -8.872   2.772
  327    HB2  CYS  46           HB2      CYS  46  -2.447  -8.986   4.908
  328    HB3  CYS  46           HB3      CYS  46  -2.802 -10.333   3.840
  329    H    SER  47           H        SER  47  -6.321 -10.079   3.072
  330    HA   SER  47           HA       SER  47  -7.750 -10.446   5.392
  331    HB2  SER  47           HB2      SER  47  -8.756 -11.050   3.310
  332    HB3  SER  47           HB3      SER  47  -7.497 -12.236   2.971
  333    HG   SER  47           HG       SER  47  -8.450 -13.633   4.254
  334    H    SER  48           H        SER  48  -5.483 -12.814   3.980
  335    HA   SER  48           HA       SER  48  -5.486 -14.425   6.348
  336    HB2  SER  48           HB2      SER  48  -5.086 -15.320   4.031
  337    HB3  SER  48           HB3      SER  48  -3.520 -14.509   4.048
  338    HG   SER  48           HG       SER  48  -2.759 -16.003   5.328
  339    H    SER  49           H        SER  49  -4.739 -13.426   8.096
  340    HA   SER  49           HA       SER  49  -2.834 -13.134   9.505
  341    HB2  SER  49           HB2      SER  49  -1.567 -11.726   7.138
  342    HB3  SER  49           HB3      SER  49  -0.825 -11.976   8.714
  343    HG   SER  49           HG       SER  49  -1.738 -14.295   7.573
  344    H    LYS  50           H        LYS  50  -4.739 -11.072   7.594
  345    HA   LYS  50           HA       LYS  50  -5.522  -8.942   7.848
  346    HB2  LYS  50           HB2      LYS  50  -5.477 -10.205  10.493
  347    HB3  LYS  50           HB3      LYS  50  -5.489  -8.448  10.559
  348    HG2  LYS  50           HG2      LYS  50  -7.423  -9.781   8.747
  349    HG3  LYS  50           HG3      LYS  50  -7.715  -9.863  10.485
  350    HD2  LYS  50           HD2      LYS  50  -7.111  -7.238  10.193
  351    HD3  LYS  50           HD3      LYS  50  -7.877  -7.574   8.640
  352    HE2  LYS  50           HE2      LYS  50  -9.748  -7.078   9.819
  353    HE3  LYS  50           HE3      LYS  50  -9.635  -8.787  10.235
  354    HZ1  LYS  50           HZ1      LYS  50  -8.283  -6.787  11.918
  355    HZ2  LYS  50           HZ2      LYS  50  -8.874  -8.318  12.337
  356    HZ3  LYS  50           HZ3      LYS  50  -9.948  -7.035  12.091
  357    H    ARG  51           H        ARG  51  -3.479  -8.227   6.844
  358    HA   ARG  51           HA       ARG  51  -2.015  -6.471   8.682
  359    HB2  ARG  51           HB2      ARG  51  -0.951  -8.728   7.381
  360    HB3  ARG  51           HB3      ARG  51  -0.305  -7.332   6.536
  361    HG2  ARG  51           HG2      ARG  51   0.361  -6.431   8.799
  362    HG3  ARG  51           HG3      ARG  51  -0.039  -8.025   9.445
  363    HD2  ARG  51           HD2      ARG  51   1.546  -8.990   7.746
  364    HD3  ARG  51           HD3      ARG  51   2.055  -7.339   7.391
  365    HE   ARG  51           HE       ARG  51   2.366  -7.513  10.070
  366   HH11  ARG  51          HH11      ARG  51   3.453  -9.498   7.414
  367   HH12  ARG  51          HH12      ARG  51   4.890 -10.018   8.227
  368   HH21  ARG  51          HH21      ARG  51   4.257  -8.194  11.141
  369   HH22  ARG  51          HH22      ARG  51   5.348  -9.278  10.342
  370    H    ASN  52           H        ASN  52  -2.053  -4.429   8.065
  371    HA   ASN  52           HA       ASN  52  -2.960  -3.769   5.374
  372    HB2  ASN  52           HB2      ASN  52  -3.227  -1.483   6.245
  373    HB3  ASN  52           HB3      ASN  52  -4.065  -2.657   7.258
  374   HD21  ASN  52          HD21      ASN  52  -3.210  -3.171   9.292
  375   HD22  ASN  52          HD22      ASN  52  -2.089  -2.126  10.090
  376    H    GLU  53           H        GLU  53  -1.382  -3.737   3.902
  377    HA   GLU  53           HA       GLU  53   1.230  -2.626   4.630
  378    HB2  GLU  53           HB2      GLU  53   0.316  -4.702   2.816
  379    HB3  GLU  53           HB3      GLU  53   1.378  -3.561   2.007
  380    HG2  GLU  53           HG2      GLU  53   1.986  -5.178   4.467
  381    HG3  GLU  53           HG3      GLU  53   2.684  -5.371   2.860
  382    H    PHE  54           H        PHE  54   2.326  -1.303   2.930
  383    HA   PHE  54           HA       PHE  54   0.433   0.690   1.912
  384    HB2  PHE  54           HB2      PHE  54   3.309   0.771   2.736
  385    HB3  PHE  54           HB3      PHE  54   2.723   1.958   1.576
  386    HD1  PHE  54           HD1      PHE  54   0.434   3.110   2.304
  387    HD2  PHE  54           HD2      PHE  54   3.249   1.334   4.955
  388    HE1  PHE  54           HE1      PHE  54  -0.444   4.481   4.148
  389    HE2  PHE  54           HE2      PHE  54   2.376   2.700   6.804
  390    HZ   PHE  54           HZ       PHE  54   0.528   4.278   6.403
  391    H    LYS  55           H        LYS  55  -0.224  -0.093  -0.036
  392    HA   LYS  55           HA       LYS  55   1.813  -0.886  -1.988
  393    HB2  LYS  55           HB2      LYS  55  -0.908  -1.688  -1.442
  394    HB3  LYS  55           HB3      LYS  55  -0.742  -1.189  -3.119
  395    HG2  LYS  55           HG2      LYS  55   1.414  -2.736  -2.954
  396    HG3  LYS  55           HG3      LYS  55   0.438  -3.500  -1.697
  397    HD2  LYS  55           HD2      LYS  55  -0.424  -4.671  -3.417
  398    HD3  LYS  55           HD3      LYS  55  -1.398  -3.222  -3.670
  399    HE2  LYS  55           HE2      LYS  55   1.264  -3.175  -4.917
  400    HE3  LYS  55           HE3      LYS  55   0.157  -4.383  -5.566
  401    HZ1  LYS  55           HZ1      LYS  55  -0.060  -2.337  -6.781
  402    HZ2  LYS  55           HZ2      LYS  55  -0.349  -1.464  -5.361
  403    HZ3  LYS  55           HZ3      LYS  55  -1.478  -2.601  -5.899
  404    H    SER  56           H        SER  56   1.039  -0.257  -4.346
  405    HA   SER  56           HA       SER  56   0.416   2.626  -4.324
  406    HB2  SER  56           HB2      SER  56   1.800   2.400  -6.617
  407    HB3  SER  56           HB3      SER  56   2.578   2.743  -5.072
  408    HG   SER  56           HG       SER  56   2.991   0.501  -4.874
  409    H    CYS  57           H        CYS  57  -1.135   3.346  -5.733
  410    HA   CYS  57           HA       CYS  57  -2.127   1.428  -7.724
  411    HB2  CYS  57           HB2      CYS  57  -4.314   1.488  -7.026
  412    HB3  CYS  57           HB3      CYS  57  -3.498   1.633  -5.483
  413    H    ARG  58           H        ARG  58  -3.848   2.613  -9.168
  414    HA   ARG  58           HA       ARG  58  -2.509   5.027 -10.121
  415    HB2  ARG  58           HB2      ARG  58  -3.111   3.030 -11.615
  416    HB3  ARG  58           HB3      ARG  58  -4.773   3.589 -11.490
  417    HG2  ARG  58           HG2      ARG  58  -3.409   5.869 -12.194
  418    HG3  ARG  58           HG3      ARG  58  -2.573   4.605 -13.097
  419    HD2  ARG  58           HD2      ARG  58  -5.017   3.841 -13.671
  420    HD3  ARG  58           HD3      ARG  58  -5.408   5.514 -13.275
  421    HE   ARG  58           HE       ARG  58  -3.347   5.766 -15.000
  422   HH11  ARG  58          HH11      ARG  58  -6.357   4.007 -15.140
  423   HH12  ARG  58          HH12      ARG  58  -6.493   4.128 -16.862
  424   HH21  ARG  58          HH21      ARG  58  -3.524   5.927 -17.265
  425   HH22  ARG  58          HH22      ARG  58  -4.884   5.218 -18.069
  426    H    SER  59           H        SER  59  -3.283   6.979  -9.698
  427    HA   SER  59           HA       SER  59  -5.865   7.269  -8.432
  428    HB2  SER  59           HB2      SER  59  -3.423   8.675  -8.356
  429    HB3  SER  59           HB3      SER  59  -4.604   9.791  -9.041
  430    HG   SER  59           HG       SER  59  -5.106   8.287  -6.696
  431    H    ALA  60           H        ALA  60  -4.457   7.778 -11.562
  432    HA   ALA  60           HA       ALA  60  -6.243   9.639 -12.639
  433    HB1  ALA  60           HB1      ALA  60  -5.294   7.522 -14.456
  434    HB2  ALA  60           HB2      ALA  60  -4.046   8.393 -13.565
  435    HB3  ALA  60           HB3      ALA  60  -5.176   9.276 -14.591
  436    H    LEU  61           H        LEU  61  -6.737   6.345 -11.782
  437    HA   LEU  61           HA       LEU  61  -9.242   6.287 -13.326
  438    HB2  LEU  61           HB2      LEU  61  -7.284   4.458 -13.428
  439    HB3  LEU  61           HB3      LEU  61  -8.190   3.814 -12.073
  440    HG   LEU  61           HG       LEU  61 -10.227   3.788 -13.520
  441   HD11  LEU  61          HD11      LEU  61  -8.908   5.488 -15.129
  442   HD12  LEU  61          HD12      LEU  61 -10.244   4.471 -15.668
  443   HD13  LEU  61          HD13      LEU  61  -8.580   3.966 -15.957
  444   HD21  LEU  61          HD21      LEU  61  -9.419   1.872 -14.947
  445   HD22  LEU  61          HD22      LEU  61  -9.093   1.732 -13.220
  446   HD23  LEU  61          HD23      LEU  61  -7.802   2.201 -14.326
  447    H    MET  62           H        MET  62  -7.809   6.030 -10.160
  448    HA   MET  62           HA       MET  62 -10.087   5.030  -8.806
  449    HB2  MET  62           HB2      MET  62  -7.593   6.452  -7.924
  450    HB3  MET  62           HB3      MET  62  -8.884   6.109  -6.780
  451    HG2  MET  62           HG2      MET  62  -7.434   4.057  -8.435
  452    HG3  MET  62           HG3      MET  62  -7.117   4.417  -6.739
  453    HE1  MET  62           HE1      MET  62 -10.171   1.617  -8.462
  454    HE2  MET  62           HE2      MET  62  -8.411   1.556  -8.562
  455    HE3  MET  62           HE3      MET  62  -9.296   2.851  -9.368
  456    H    GLU  63           H        GLU  63  -8.712   8.321  -8.906
  457    HA   GLU  63           HA       GLU  63 -11.385   9.447  -8.933
  458    HB2  GLU  63           HB2      GLU  63  -9.463   9.824  -6.646
  459    HB3  GLU  63           HB3      GLU  63 -10.715  11.005  -7.007
  460    HG2  GLU  63           HG2      GLU  63 -11.245   8.098  -6.446
  461    HG3  GLU  63           HG3      GLU  63 -11.318   9.377  -5.234
  462    H    GLN  64           H        GLN  64 -10.835  10.271 -10.956
  463    HA   GLN  64           HA       GLN  64  -8.950  12.529 -10.871
  464    HB2  GLN  64           HB2      GLN  64  -8.258  10.316 -12.155
  465    HB3  GLN  64           HB3      GLN  64  -9.280  10.999 -13.411
  466    HG2  GLN  64           HG2      GLN  64  -7.255  12.779 -12.194
  467    HG3  GLN  64           HG3      GLN  64  -6.678  11.492 -13.250
  468   HE21  GLN  64          HE21      GLN  64  -8.905  14.218 -13.075
  469   HE22  GLN  64          HE22      GLN  64  -8.870  14.590 -14.762
  470    H    ARG  65           H        ARG  65 -10.881  13.787 -10.479
  471    HA   ARG  65           HA       ARG  65 -12.545  15.197 -11.124
  472    HB2  ARG  65           HB2      ARG  65 -10.684  15.385 -13.059
  473    HB3  ARG  65           HB3      ARG  65 -12.035  14.797 -14.017
  474    HG2  ARG  65           HG2      ARG  65 -12.446  17.104 -12.175
  475    HG3  ARG  65           HG3      ARG  65 -11.634  17.354 -13.722
  476    HD2  ARG  65           HD2      ARG  65 -13.636  16.088 -14.731
  477    HD3  ARG  65           HD3      ARG  65 -14.430  16.410 -13.191
  478    HE   ARG  65           HE       ARG  65 -14.777  18.541 -13.904
  479   HH11  ARG  65          HH11      ARG  65 -12.064  17.239 -15.672
  480   HH12  ARG  65          HH12      ARG  65 -11.881  18.642 -16.670
  481   HH21  ARG  65          HH21      ARG  65 -14.537  20.388 -15.215
  482   HH22  ARG  65          HH22      ARG  65 -13.285  20.430 -16.411
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  26.720 -12.552   2.015
    2    H2   GLY   1           H2       GLY   1  26.178 -11.912   3.484
    3    H3   GLY   1           H3       GLY   1  25.099 -12.106   2.197
    4    HA2  GLY   1           HA2      GLY   1  25.813 -14.596   2.369
    5    HA3  GLY   1           HA3      GLY   1  26.220 -14.121   4.011
    6    H    SER   2           H        SER   2  24.597 -15.545   4.793
    7    HA   SER   2           HA       SER   2  22.539 -16.050   5.615
    8    HB2  SER   2           HB2      SER   2  22.266 -13.105   5.079
    9    HB3  SER   2           HB3      SER   2  20.884 -14.039   5.652
   10    HG   SER   2           HG       SER   2  22.109 -13.107   7.364
   11    H    GLY   3           H        GLY   3  20.021 -15.726   4.987
   12    HA2  GLY   3           HA2      GLY   3  19.637 -15.701   2.105
   13    HA3  GLY   3           HA3      GLY   3  19.398 -17.258   2.884
   14    H    MET   4           H        MET   4  18.427 -13.853   3.308
   15    HA   MET   4           HA       MET   4  15.677 -14.798   3.741
   16    HB2  MET   4           HB2      MET   4  17.157 -13.910   5.800
   17    HB3  MET   4           HB3      MET   4  16.541 -12.372   5.214
   18    HG2  MET   4           HG2      MET   4  14.239 -13.554   5.280
   19    HG3  MET   4           HG3      MET   4  15.052 -14.696   6.348
   20    HE1  MET   4           HE1      MET   4  16.410 -14.131   8.153
   21    HE2  MET   4           HE2      MET   4  15.413 -13.497   9.463
   22    HE3  MET   4           HE3      MET   4  16.716 -12.516   8.790
   23    H    LYS   5           H        LYS   5  14.041 -13.463   2.974
   24    HA   LYS   5           HA       LYS   5  14.878 -11.072   1.485
   25    HB2  LYS   5           HB2      LYS   5  13.105 -13.298   0.470
   26    HB3  LYS   5           HB3      LYS   5  13.261 -11.734  -0.318
   27    HG2  LYS   5           HG2      LYS   5  15.400 -12.157  -1.039
   28    HG3  LYS   5           HG3      LYS   5  15.714 -13.331   0.239
   29    HD2  LYS   5           HD2      LYS   5  14.847 -15.043  -0.947
   30    HD3  LYS   5           HD3      LYS   5  13.550 -14.052  -1.618
   31    HE2  LYS   5           HE2      LYS   5  14.709 -14.276  -3.535
   32    HE3  LYS   5           HE3      LYS   5  15.690 -12.974  -2.864
   33    HZ1  LYS   5           HZ1      LYS   5  16.315 -15.828  -2.382
   34    HZ2  LYS   5           HZ2      LYS   5  17.320 -14.485  -2.162
   35    HZ3  LYS   5           HZ3      LYS   5  16.913 -14.990  -3.724
   36    H    GLU   6           H        GLU   6  13.712  -9.345   1.996
   37    HA   GLU   6           HA       GLU   6  11.424  -9.590   3.718
   38    HB2  GLU   6           HB2      GLU   6  13.326  -7.703   3.484
   39    HB3  GLU   6           HB3      GLU   6  12.076  -6.973   2.485
   40    HG2  GLU   6           HG2      GLU   6  10.795  -6.461   4.244
   41    HG3  GLU   6           HG3      GLU   6  11.121  -7.993   5.054
   42    H    PHE   7           H        PHE   7   9.403  -9.862   3.065
   43    HA   PHE   7           HA       PHE   7   8.555  -8.658   0.526
   44    HB2  PHE   7           HB2      PHE   7   7.042 -10.888   0.487
   45    HB3  PHE   7           HB3      PHE   7   8.595 -10.763  -0.330
   46    HD1  PHE   7           HD1      PHE   7   7.402 -11.490   3.136
   47    HD2  PHE   7           HD2      PHE   7   9.936 -12.599  -0.098
   48    HE1  PHE   7           HE1      PHE   7   8.235 -13.397   4.449
   49    HE2  PHE   7           HE2      PHE   7  10.773 -14.510   1.208
   50    HZ   PHE   7           HZ       PHE   7   9.921 -14.911   3.484
   51    HA   PRO   8           HA       PRO   8   4.906  -7.597   2.810
   52    HB2  PRO   8           HB2      PRO   8   3.114  -7.235   0.892
   53    HB3  PRO   8           HB3      PRO   8   4.605  -6.282   0.897
   54    HG2  PRO   8           HG2      PRO   8   3.891  -8.673  -0.751
   55    HG3  PRO   8           HG3      PRO   8   4.747  -7.201  -1.232
   56    HD2  PRO   8           HD2      PRO   8   5.947  -9.619  -0.539
   57    HD3  PRO   8           HD3      PRO   8   6.758  -8.043  -0.586
   58    H    CYS   9           H        CYS   9   2.293  -8.079   2.477
   59    HA   CYS   9           HA       CYS   9   2.093 -10.974   2.914
   60    HB2  CYS   9           HB2      CYS   9  -0.104 -10.373   4.019
   61    HB3  CYS   9           HB3      CYS   9   1.342  -9.797   4.837
   62    H    TRP  10           H        TRP  10   0.701  -8.281   1.118
   63    HA   TRP  10           HA       TRP  10  -1.444  -9.647  -0.053
   64    HB2  TRP  10           HB2      TRP  10  -1.299  -7.851  -1.813
   65    HB3  TRP  10           HB3      TRP  10  -1.421  -7.275  -0.159
   66    HD1  TRP  10           HD1      TRP  10   0.638  -5.925   0.833
   67    HE1  TRP  10           HE1      TRP  10   2.702  -4.852  -0.273
   68    HE3  TRP  10           HE3      TRP  10   0.393  -8.218  -3.711
   69    HZ2  TRP  10           HZ2      TRP  10   4.050  -4.968  -2.754
   70    HZ3  TRP  10           HZ3      TRP  10   2.102  -7.685  -5.405
   71    HH2  TRP  10           HH2      TRP  10   3.893  -6.094  -4.933
   72    H    LEU  11           H        LEU  11   1.903  -9.980  -0.566
   73    HA   LEU  11           HA       LEU  11   1.667 -10.924  -3.287
   74    HB2  LEU  11           HB2      LEU  11   3.907 -10.552  -1.349
   75    HB3  LEU  11           HB3      LEU  11   4.141 -11.614  -2.726
   76    HG   LEU  11           HG       LEU  11   3.353  -8.704  -2.884
   77   HD11  LEU  11          HD11      LEU  11   5.514  -8.215  -2.758
   78   HD12  LEU  11          HD12      LEU  11   5.844  -9.278  -4.126
   79   HD13  LEU  11          HD13      LEU  11   5.891  -9.915  -2.483
   80   HD21  LEU  11          HD21      LEU  11   3.999  -9.111  -5.325
   81   HD22  LEU  11          HD22      LEU  11   2.444  -9.739  -4.778
   82   HD23  LEU  11          HD23      LEU  11   3.822 -10.826  -4.957
   83    H    VAL  12           H        VAL  12   0.620 -12.244  -0.570
   84    HA   VAL  12           HA       VAL  12   0.760 -14.922  -1.586
   85    HB   VAL  12           HB       VAL  12   1.644 -15.831   0.633
   86   HG11  VAL  12          HG11      VAL  12   3.777 -14.362  -0.863
   87   HG12  VAL  12          HG12      VAL  12   2.840 -15.628  -1.658
   88   HG13  VAL  12          HG13      VAL  12   3.788 -16.004  -0.219
   89   HG21  VAL  12          HG21      VAL  12   2.628 -12.987   0.835
   90   HG22  VAL  12          HG22      VAL  12   3.236 -14.328   1.805
   91   HG23  VAL  12          HG23      VAL  12   1.552 -13.822   1.956
   92    H    GLU  13           H        GLU  13  -1.241 -12.910  -0.886
   93    HA   GLU  13           HA       GLU  13  -3.046 -14.610   0.552
   94    HB2  GLU  13           HB2      GLU  13  -3.470 -13.219   2.449
   95    HB3  GLU  13           HB3      GLU  13  -1.732 -13.473   2.384
   96    HG2  GLU  13           HG2      GLU  13  -1.803 -11.242   2.793
   97    HG3  GLU  13           HG3      GLU  13  -1.777 -11.233   1.032
   98    H    GLU  14           H        GLU  14  -5.095 -13.046   1.136
   99    HA   GLU  14           HA       GLU  14  -5.817 -11.877  -1.444
  100    HB2  GLU  14           HB2      GLU  14  -8.111 -12.052  -0.703
  101    HB3  GLU  14           HB3      GLU  14  -7.296 -13.580  -0.413
  102    HG2  GLU  14           HG2      GLU  14  -6.936 -12.199   1.943
  103    HG3  GLU  14           HG3      GLU  14  -8.576 -11.777   1.453
  104    H    PHE  15           H        PHE  15  -5.019  -9.818  -1.496
  105    HA   PHE  15           HA       PHE  15  -5.447  -8.094   0.816
  106    HB2  PHE  15           HB2      PHE  15  -3.778  -6.723   0.013
  107    HB3  PHE  15           HB3      PHE  15  -3.262  -8.276  -0.627
  108    HD1  PHE  15           HD1      PHE  15  -5.046  -5.152  -1.511
  109    HD2  PHE  15           HD2      PHE  15  -2.971  -8.587  -2.927
  110    HE1  PHE  15           HE1      PHE  15  -5.012  -4.192  -3.773
  111    HE2  PHE  15           HE2      PHE  15  -2.937  -7.633  -5.195
  112    HZ   PHE  15           HZ       PHE  15  -3.958  -5.432  -5.617
  113    H    VAL  16           H        VAL  16  -6.775  -6.370   0.877
  114    HA   VAL  16           HA       VAL  16  -8.394  -5.827  -1.525
  115    HB   VAL  16           HB       VAL  16 -10.238  -5.213   0.148
  116   HG11  VAL  16          HG11      VAL  16  -9.764  -7.451  -1.285
  117   HG12  VAL  16          HG12      VAL  16 -11.211  -7.194  -0.312
  118   HG13  VAL  16          HG13      VAL  16  -9.865  -8.127   0.341
  119   HG21  VAL  16          HG21      VAL  16  -9.135  -7.210   2.014
  120   HG22  VAL  16          HG22      VAL  16 -10.086  -5.759   2.332
  121   HG23  VAL  16          HG23      VAL  16  -8.354  -5.628   2.029
  122    H    VAL  17           H        VAL  17  -8.296  -3.783  -2.188
  123    HA   VAL  17           HA       VAL  17  -6.799  -1.812  -0.851
  124    HB   VAL  17           HB       VAL  17  -8.894  -1.302  -2.965
  125   HG11  VAL  17          HG11      VAL  17  -7.105   0.496  -3.535
  126   HG12  VAL  17          HG12      VAL  17  -6.576   0.240  -1.871
  127   HG13  VAL  17          HG13      VAL  17  -8.223   0.776  -2.201
  128   HG21  VAL  17          HG21      VAL  17  -7.559  -2.958  -3.936
  129   HG22  VAL  17          HG22      VAL  17  -6.086  -2.337  -3.193
  130   HG23  VAL  17          HG23      VAL  17  -6.852  -1.449  -4.510
  131    H    ALA  18           H        ALA  18  -7.533  -1.453   1.222
  132    HA   ALA  18           HA       ALA  18 -10.299  -0.779   1.719
  133    HB1  ALA  18           HB1      ALA  18  -8.261  -0.270   3.799
  134    HB2  ALA  18           HB2      ALA  18  -8.452  -1.941   3.270
  135    HB3  ALA  18           HB3      ALA  18  -9.833  -1.058   3.919
  136    H    GLU  19           H        GLU  19  -7.306   0.873   1.135
  137    HA   GLU  19           HA       GLU  19  -8.725   3.435   1.282
  138    HB2  GLU  19           HB2      GLU  19  -5.916   3.038   2.316
  139    HB3  GLU  19           HB3      GLU  19  -6.873   4.509   2.391
  140    HG2  GLU  19           HG2      GLU  19  -8.413   2.563   3.665
  141    HG3  GLU  19           HG3      GLU  19  -6.762   2.295   4.220
  142    H    GLU  20           H        GLU  20  -8.698   4.207  -0.733
  143    HA   GLU  20           HA       GLU  20  -7.124   3.394  -2.837
  144    HB2  GLU  20           HB2      GLU  20  -8.318   6.129  -2.352
  145    HB3  GLU  20           HB3      GLU  20  -7.675   5.586  -3.896
  146    HG2  GLU  20           HG2      GLU  20  -9.800   5.025  -4.307
  147    HG3  GLU  20           HG3      GLU  20  -9.409   3.590  -3.360
  148    H    CYS  21           H        CYS  21  -5.249   4.221  -3.859
  149    HA   CYS  21           HA       CYS  21  -3.262   5.070  -2.007
  150    HB2  CYS  21           HB2      CYS  21  -1.698   4.912  -3.831
  151    HB3  CYS  21           HB3      CYS  21  -2.771   3.525  -3.870
  152    H    SER  22           H        SER  22  -2.189   6.976  -1.825
  153    HA   SER  22           HA       SER  22  -3.133   9.236  -3.444
  154    HB2  SER  22           HB2      SER  22  -2.643   9.715  -0.541
  155    HB3  SER  22           HB3      SER  22  -3.753  10.529  -1.643
  156    HG   SER  22           HG       SER  22  -4.072   8.106  -0.258
  157    HA   PRO  23           HA       PRO  23   0.927  10.820  -3.944
  158    HB2  PRO  23           HB2      PRO  23   0.172  13.115  -2.182
  159    HB3  PRO  23           HB3      PRO  23   0.956  13.125  -3.767
  160    HG2  PRO  23           HG2      PRO  23  -1.625  13.717  -3.539
  161    HG3  PRO  23           HG3      PRO  23  -1.035  12.746  -4.901
  162    HD2  PRO  23           HD2      PRO  23  -2.555  11.899  -2.486
  163    HD3  PRO  23           HD3      PRO  23  -2.591  11.240  -4.132
  164    H    CYS  24           H        CYS  24   2.938  11.140  -2.895
  165    HA   CYS  24           HA       CYS  24   2.965  10.211  -0.103
  166    HB2  CYS  24           HB2      CYS  24   5.099  10.010  -2.237
  167    HB3  CYS  24           HB3      CYS  24   5.265   9.432  -0.585
  168    H    SER  25           H        SER  25   3.461  11.679   1.376
  169    HA   SER  25           HA       SER  25   4.244  14.299   0.833
  170    HB2  SER  25           HB2      SER  25   3.330  13.037   3.036
  171    HB3  SER  25           HB3      SER  25   5.033  13.189   3.467
  172    HG   SER  25           HG       SER  25   3.246  15.273   2.749
  173    H    ASN  26           H        ASN  26   6.311  15.080   2.331
  174    HA   ASN  26           HA       ASN  26   8.552  14.526   0.739
  175    HB2  ASN  26           HB2      ASN  26   8.604  15.631   3.552
  176    HB3  ASN  26           HB3      ASN  26   9.805  15.876   2.288
  177   HD21  ASN  26          HD21      ASN  26   8.577  16.654   0.150
  178   HD22  ASN  26          HD22      ASN  26   7.601  18.057   0.406
  179    H    PHE  27           H        PHE  27   7.429  13.128   3.753
  180    HA   PHE  27           HA       PHE  27   9.849  11.547   4.060
  181    HB2  PHE  27           HB2      PHE  27   7.458  12.129   5.724
  182    HB3  PHE  27           HB3      PHE  27   8.246  10.575   5.979
  183    HD1  PHE  27           HD1      PHE  27  10.861  10.703   6.248
  184    HD2  PHE  27           HD2      PHE  27   8.188  13.945   6.923
  185    HE1  PHE  27           HE1      PHE  27  12.547  11.791   7.672
  186    HE2  PHE  27           HE2      PHE  27   9.870  15.039   8.349
  187    HZ   PHE  27           HZ       PHE  27  12.052  13.961   8.725
  188    H    ARG  28           H        ARG  28   6.543  11.184   2.992
  189    HA   ARG  28           HA       ARG  28   6.503   8.340   2.987
  190    HB2  ARG  28           HB2      ARG  28   4.508   9.946   2.936
  191    HB3  ARG  28           HB3      ARG  28   4.824  10.099   1.214
  192    HG2  ARG  28           HG2      ARG  28   4.224   7.911   0.772
  193    HG3  ARG  28           HG3      ARG  28   4.486   7.397   2.440
  194    HD2  ARG  28           HD2      ARG  28   2.258   9.170   1.443
  195    HD3  ARG  28           HD3      ARG  28   2.109   7.481   1.924
  196    HE   ARG  28           HE       ARG  28   2.245   9.772   3.654
  197   HH11  ARG  28          HH11      ARG  28   2.800   6.334   3.415
  198   HH12  ARG  28          HH12      ARG  28   2.640   6.064   5.119
  199   HH21  ARG  28          HH21      ARG  28   2.034   9.418   5.893
  200   HH22  ARG  28          HH22      ARG  28   2.204   7.814   6.525
  201    H    ALA  29           H        ALA  29   7.156  10.782   0.505
  202    HA   ALA  29           HA       ALA  29   7.431   9.054  -1.678
  203    HB1  ALA  29           HB1      ALA  29   8.996  11.597  -1.323
  204    HB2  ALA  29           HB2      ALA  29   7.277  11.578  -1.710
  205    HB3  ALA  29           HB3      ALA  29   8.438  10.857  -2.824
  206    H    LYS  30           H        LYS  30   9.625   9.835   0.917
  207    HA   LYS  30           HA       LYS  30  11.861   8.528  -0.418
  208    HB2  LYS  30           HB2      LYS  30  11.823  10.658   1.219
  209    HB3  LYS  30           HB3      LYS  30  12.081   9.392   2.411
  210    HG2  LYS  30           HG2      LYS  30  14.065   8.648   1.214
  211    HG3  LYS  30           HG3      LYS  30  13.798   9.889  -0.012
  212    HD2  LYS  30           HD2      LYS  30  14.100  10.582   2.895
  213    HD3  LYS  30           HD3      LYS  30  15.500  10.386   1.839
  214    HE2  LYS  30           HE2      LYS  30  13.347  12.106   0.799
  215    HE3  LYS  30           HE3      LYS  30  14.198  12.724   2.215
  216    HZ1  LYS  30           HZ1      LYS  30  16.297  12.370   0.999
  217    HZ2  LYS  30           HZ2      LYS  30  15.282  13.491   0.239
  218    HZ3  LYS  30           HZ3      LYS  30  15.415  11.919  -0.371
  219    H    THR  31           H        THR  31  10.150   8.200   2.697
  220    HA   THR  31           HA       THR  31  11.316   5.772   3.447
  221    HB   THR  31           HB       THR  31   9.454   5.554   5.018
  222    HG1  THR  31           HG1      THR  31   8.303   7.654   3.504
  223   HG21  THR  31          HG21      THR  31   9.438   7.989   5.909
  224   HG22  THR  31          HG22      THR  31  10.670   8.251   4.676
  225   HG23  THR  31          HG23      THR  31  10.930   7.049   5.940
  226    H    THR  32           H        THR  32   8.067   6.291   2.058
  227    HA   THR  32           HA       THR  32   7.716   3.493   1.546
  228    HB   THR  32           HB       THR  32   6.091   5.857   0.591
  229    HG1  THR  32           HG1      THR  32   4.806   5.425   2.367
  230   HG21  THR  32          HG21      THR  32   5.521   2.915   0.589
  231   HG22  THR  32          HG22      THR  32   5.419   4.061  -0.748
  232   HG23  THR  32          HG23      THR  32   4.242   4.129   0.563
  233    HA   PRO  33           HA       PRO  33   9.934   3.824  -2.372
  234    HB2  PRO  33           HB2      PRO  33  10.036   1.176  -2.888
  235    HB3  PRO  33           HB3      PRO  33  11.107   1.959  -1.722
  236    HG2  PRO  33           HG2      PRO  33   8.607   0.388  -1.240
  237    HG3  PRO  33           HG3      PRO  33  10.144   0.342  -0.359
  238    HD2  PRO  33           HD2      PRO  33   7.960   1.706   0.526
  239    HD3  PRO  33           HD3      PRO  33   9.627   2.197   0.892
  240    H    GLU  34           H        GLU  34   6.756   2.914  -1.738
  241    HA   GLU  34           HA       GLU  34   6.140   2.121  -4.466
  242    HB2  GLU  34           HB2      GLU  34   4.854   1.894  -1.864
  243    HB3  GLU  34           HB3      GLU  34   3.735   2.440  -3.103
  244    HG2  GLU  34           HG2      GLU  34   3.462   0.252  -3.473
  245    HG3  GLU  34           HG3      GLU  34   4.949   0.418  -4.407
  246    H    CYS  35           H        CYS  35   7.190   4.707  -4.251
  247    HA   CYS  35           HA       CYS  35   4.872   6.307  -5.083
  248    HB2  CYS  35           HB2      CYS  35   7.241   7.448  -3.605
  249    HB3  CYS  35           HB3      CYS  35   5.723   8.251  -3.993
  250    H    GLY  36           H        GLY  36   7.449   4.791  -6.215
  251    HA2  GLY  36           HA2      GLY  36   8.806   6.859  -7.657
  252    HA3  GLY  36           HA3      GLY  36   8.983   5.132  -7.903
  253    HA   PRO  37           HA       PRO  37   6.327   5.276 -11.412
  254    HB2  PRO  37           HB2      PRO  37   4.263   3.564 -11.037
  255    HB3  PRO  37           HB3      PRO  37   5.931   3.027 -11.256
  256    HG2  PRO  37           HG2      PRO  37   4.320   3.234  -8.759
  257    HG3  PRO  37           HG3      PRO  37   5.534   2.035  -9.219
  258    HD2  PRO  37           HD2      PRO  37   5.973   4.160  -7.511
  259    HD3  PRO  37           HD3      PRO  37   7.240   3.280  -8.385
  260    H    THR  38           H        THR  38   3.391   4.630  -9.600
  261    HA   THR  38           HA       THR  38   2.040   6.825 -10.762
  262    HB   THR  38           HB       THR  38   0.771   4.882 -10.146
  263    HG1  THR  38           HG1      THR  38  -0.852   5.848  -8.940
  264   HG21  THR  38          HG21      THR  38   2.350   4.809  -7.845
  265   HG22  THR  38          HG22      THR  38   1.058   3.700  -8.309
  266   HG23  THR  38          HG23      THR  38   0.697   5.100  -7.299
  267    H    GLY  39           H        GLY  39   3.744   6.386  -7.745
  268    HA2  GLY  39           HA2      GLY  39   4.515   8.041  -6.301
  269    HA3  GLY  39           HA3      GLY  39   3.616   9.233  -7.233
  270    H    TYR  40           H        TYR  40   1.497   6.821  -6.686
  271    HA   TYR  40           HA       TYR  40   0.431   8.096  -4.262
  272    HB2  TYR  40           HB2      TYR  40  -0.920   6.733  -6.593
  273    HB3  TYR  40           HB3      TYR  40  -1.760   7.078  -5.091
  274    HD1  TYR  40           HD1      TYR  40   0.633   9.107  -7.131
  275    HD2  TYR  40           HD2      TYR  40  -3.272   8.780  -5.473
  276    HE1  TYR  40           HE1      TYR  40   0.102  11.359  -7.953
  277    HE2  TYR  40           HE2      TYR  40  -3.814  11.032  -6.296
  278    HH   TYR  40           HH       TYR  40  -2.699  13.064  -6.973
  279    H    VAL  41           H        VAL  41   0.053   6.832  -2.478
  280    HA   VAL  41           HA       VAL  41   0.498   3.938  -2.810
  281    HB   VAL  41           HB       VAL  41   1.457   3.850  -0.585
  282   HG11  VAL  41          HG11      VAL  41   2.646   5.721  -2.587
  283   HG12  VAL  41          HG12      VAL  41   3.133   4.083  -2.157
  284   HG13  VAL  41          HG13      VAL  41   3.472   5.420  -1.059
  285   HG21  VAL  41          HG21      VAL  41   2.018   5.980   0.594
  286   HG22  VAL  41          HG22      VAL  41   0.292   5.622   0.529
  287   HG23  VAL  41          HG23      VAL  41   0.985   6.828  -0.556
  288    H    GLU  42           H        GLU  42  -1.064   2.635  -2.205
  289    HA   GLU  42           HA       GLU  42  -3.357   3.713  -0.727
  290    HB2  GLU  42           HB2      GLU  42  -4.404   1.495  -1.514
  291    HB3  GLU  42           HB3      GLU  42  -4.101   2.731  -2.723
  292    HG2  GLU  42           HG2      GLU  42  -2.631   1.466  -3.821
  293    HG3  GLU  42           HG3      GLU  42  -1.877   0.890  -2.339
  294    H    LYS  43           H        LYS  43  -4.512   2.053   0.671
  295    HA   LYS  43           HA       LYS  43  -2.534   0.607   2.306
  296    HB2  LYS  43           HB2      LYS  43  -4.059   2.706   3.135
  297    HB3  LYS  43           HB3      LYS  43  -5.089   1.351   3.576
  298    HG2  LYS  43           HG2      LYS  43  -3.570   0.518   5.099
  299    HG3  LYS  43           HG3      LYS  43  -2.203   1.335   4.339
  300    HD2  LYS  43           HD2      LYS  43  -2.577   3.274   5.447
  301    HD3  LYS  43           HD3      LYS  43  -4.331   3.079   5.414
  302    HE2  LYS  43           HE2      LYS  43  -4.376   1.932   7.370
  303    HE3  LYS  43           HE3      LYS  43  -2.814   1.165   7.081
  304    HZ1  LYS  43           HZ1      LYS  43  -1.702   2.855   8.055
  305    HZ2  LYS  43           HZ2      LYS  43  -3.165   3.061   8.880
  306    HZ3  LYS  43           HZ3      LYS  43  -2.798   4.040   7.551
  307    H    ILE  44           H        ILE  44  -2.756  -1.394   1.372
  308    HA   ILE  44           HA       ILE  44  -5.429  -2.569   1.179
  309    HB   ILE  44           HB       ILE  44  -4.182  -4.482   0.084
  310   HG12  ILE  44          HG12      ILE  44  -1.915  -2.745  -0.578
  311   HG13  ILE  44          HG13      ILE  44  -1.955  -3.231   1.113
  312   HG21  ILE  44          HG21      ILE  44  -5.346  -3.080  -1.364
  313   HG22  ILE  44          HG22      ILE  44  -3.706  -3.076  -2.015
  314   HG23  ILE  44          HG23      ILE  44  -4.277  -1.712  -1.052
  315   HD11  ILE  44          HD11      ILE  44  -2.447  -5.430  -0.728
  316   HD12  ILE  44          HD12      ILE  44  -1.335  -5.313   0.636
  317   HD13  ILE  44          HD13      ILE  44  -0.871  -4.668  -0.937
  318    H    THR  45           H        THR  45  -6.177  -4.036   2.577
  319    HA   THR  45           HA       THR  45  -4.450  -4.866   4.776
  320    HB   THR  45           HB       THR  45  -7.413  -5.348   4.434
  321    HG1  THR  45           HG1      THR  45  -6.096  -3.223   5.770
  322   HG21  THR  45          HG21      THR  45  -6.411  -6.739   6.153
  323   HG22  THR  45          HG22      THR  45  -7.449  -5.502   6.863
  324   HG23  THR  45          HG23      THR  45  -5.695  -5.312   6.903
  325    H    CYS  46           H        CYS  46  -4.062  -7.011   5.334
  326    HA   CYS  46           HA       CYS  46  -4.629  -8.954   3.194
  327    HB2  CYS  46           HB2      CYS  46  -2.374  -8.942   5.213
  328    HB3  CYS  46           HB3      CYS  46  -2.640 -10.179   4.004
  329    H    SER  47           H        SER  47  -5.999 -10.547   3.640
  330    HA   SER  47           HA       SER  47  -7.187 -10.898   6.165
  331    HB2  SER  47           HB2      SER  47  -8.373 -11.649   4.218
  332    HB3  SER  47           HB3      SER  47  -7.044 -12.707   3.748
  333    HG   SER  47           HG       SER  47  -7.923 -14.186   4.934
  334    H    SER  48           H        SER  48  -4.242 -12.045   4.816
  335    HA   SER  48           HA       SER  48  -3.920 -14.233   6.670
  336    HB2  SER  48           HB2      SER  48  -2.224 -13.025   4.502
  337    HB3  SER  48           HB3      SER  48  -1.517 -14.147   5.664
  338    HG   SER  48           HG       SER  48  -2.980 -15.710   4.997
  339    H    SER  49           H        SER  49  -3.781 -13.578   8.708
  340    HA   SER  49           HA       SER  49  -2.799 -12.842  10.625
  341    HB2  SER  49           HB2      SER  49  -0.648 -12.575   8.682
  342    HB3  SER  49           HB3      SER  49  -0.565 -11.329   9.926
  343    HG   SER  49           HG       SER  49   0.303 -13.728  10.169
  344    H    LYS  50           H        LYS  50  -4.432 -11.124   8.577
  345    HA   LYS  50           HA       LYS  50  -5.195  -8.970   8.383
  346    HB2  LYS  50           HB2      LYS  50  -5.121  -9.705  11.230
  347    HB3  LYS  50           HB3      LYS  50  -5.236  -7.976  10.931
  348    HG2  LYS  50           HG2      LYS  50  -7.080  -9.975   9.656
  349    HG3  LYS  50           HG3      LYS  50  -7.413  -9.211  11.212
  350    HD2  LYS  50           HD2      LYS  50  -6.992  -6.996   9.924
  351    HD3  LYS  50           HD3      LYS  50  -7.274  -7.979   8.486
  352    HE2  LYS  50           HE2      LYS  50  -9.299  -6.799   9.380
  353    HE3  LYS  50           HE3      LYS  50  -9.469  -8.545   9.206
  354    HZ1  LYS  50           HZ1      LYS  50  -8.614  -7.414  11.785
  355    HZ2  LYS  50           HZ2      LYS  50  -9.428  -8.864  11.468
  356    HZ3  LYS  50           HZ3      LYS  50 -10.253  -7.391  11.365
  357    H    ARG  51           H        ARG  51  -3.155  -8.401   7.278
  358    HA   ARG  51           HA       ARG  51  -1.673  -6.388   8.831
  359    HB2  ARG  51           HB2      ARG  51  -0.675  -8.754   7.567
  360    HB3  ARG  51           HB3      ARG  51  -0.003  -7.352   6.752
  361    HG2  ARG  51           HG2      ARG  51   0.812  -6.495   8.889
  362    HG3  ARG  51           HG3      ARG  51   0.131  -7.904   9.708
  363    HD2  ARG  51           HD2      ARG  51   1.567  -9.328   8.208
  364    HD3  ARG  51           HD3      ARG  51   2.362  -7.843   7.686
  365    HE   ARG  51           HE       ARG  51   3.556  -7.881   9.622
  366   HH11  ARG  51          HH11      ARG  51   0.670  -9.784  10.092
  367   HH12  ARG  51          HH12      ARG  51   1.121 -10.305  11.681
  368   HH21  ARG  51          HH21      ARG  51   4.152  -8.565  11.711
  369   HH22  ARG  51          HH22      ARG  51   3.098  -9.613  12.600
  370    H    ASN  52           H        ASN  52  -1.692  -4.420   7.992
  371    HA   ASN  52           HA       ASN  52  -2.709  -4.059   5.271
  372    HB2  ASN  52           HB2      ASN  52  -2.924  -1.649   5.968
  373    HB3  ASN  52           HB3      ASN  52  -3.905  -2.772   6.906
  374   HD21  ASN  52          HD21      ASN  52  -3.690  -0.587   8.161
  375   HD22  ASN  52          HD22      ASN  52  -2.480  -0.591   9.394
  376    H    GLU  53           H        GLU  53  -1.257  -3.863   3.707
  377    HA   GLU  53           HA       GLU  53   1.410  -2.840   4.357
  378    HB2  GLU  53           HB2      GLU  53   0.335  -4.761   2.424
  379    HB3  GLU  53           HB3      GLU  53   1.516  -3.659   1.734
  380    HG2  GLU  53           HG2      GLU  53   1.905  -5.491   4.086
  381    HG3  GLU  53           HG3      GLU  53   2.630  -5.639   2.485
  382    H    PHE  54           H        PHE  54   2.469  -1.441   2.750
  383    HA   PHE  54           HA       PHE  54   0.568   0.561   1.743
  384    HB2  PHE  54           HB2      PHE  54   3.316   0.708   2.878
  385    HB3  PHE  54           HB3      PHE  54   2.893   1.879   1.632
  386    HD1  PHE  54           HD1      PHE  54   0.637   3.141   1.998
  387    HD2  PHE  54           HD2      PHE  54   2.825   1.179   5.076
  388    HE1  PHE  54           HE1      PHE  54  -0.498   4.528   3.684
  389    HE2  PHE  54           HE2      PHE  54   1.693   2.562   6.767
  390    HZ   PHE  54           HZ       PHE  54   0.030   4.240   6.073
  391    H    LYS  55           H        LYS  55   0.100  -0.154  -0.284
  392    HA   LYS  55           HA       LYS  55   2.347  -0.673  -2.107
  393    HB2  LYS  55           HB2      LYS  55  -0.011  -2.081  -1.685
  394    HB3  LYS  55           HB3      LYS  55  -0.313  -1.203  -3.179
  395    HG2  LYS  55           HG2      LYS  55   1.482  -2.239  -4.278
  396    HG3  LYS  55           HG3      LYS  55   2.187  -2.810  -2.766
  397    HD2  LYS  55           HD2      LYS  55   1.106  -4.627  -4.008
  398    HD3  LYS  55           HD3      LYS  55   0.320  -4.341  -2.455
  399    HE2  LYS  55           HE2      LYS  55  -1.344  -4.683  -4.185
  400    HE3  LYS  55           HE3      LYS  55  -1.414  -3.024  -3.590
  401    HZ1  LYS  55           HZ1      LYS  55  -0.085  -2.354  -5.529
  402    HZ2  LYS  55           HZ2      LYS  55  -1.567  -3.039  -5.973
  403    HZ3  LYS  55           HZ3      LYS  55  -0.143  -3.940  -6.113
  404    H    SER  56           H        SER  56   1.624  -0.056  -4.499
  405    HA   SER  56           HA       SER  56   0.668   2.732  -4.389
  406    HB2  SER  56           HB2      SER  56   2.258   3.380  -5.981
  407    HB3  SER  56           HB3      SER  56   3.156   2.244  -4.974
  408    HG   SER  56           HG       SER  56   3.462   1.123  -6.710
  409    H    CYS  57           H        CYS  57  -0.910   3.355  -5.801
  410    HA   CYS  57           HA       CYS  57  -1.700   1.404  -7.858
  411    HB2  CYS  57           HB2      CYS  57  -3.907   1.341  -7.227
  412    HB3  CYS  57           HB3      CYS  57  -3.147   1.525  -5.659
  413    H    ARG  58           H        ARG  58  -3.415   2.480  -9.374
  414    HA   ARG  58           HA       ARG  58  -2.177   4.945 -10.308
  415    HB2  ARG  58           HB2      ARG  58  -2.807   2.862 -11.748
  416    HB3  ARG  58           HB3      ARG  58  -4.426   3.544 -11.711
  417    HG2  ARG  58           HG2      ARG  58  -3.008   5.718 -12.435
  418    HG3  ARG  58           HG3      ARG  58  -2.026   4.440 -13.152
  419    HD2  ARG  58           HD2      ARG  58  -4.855   4.008 -13.607
  420    HD3  ARG  58           HD3      ARG  58  -4.327   5.574 -14.221
  421    HE   ARG  58           HE       ARG  58  -3.110   4.500 -15.840
  422   HH11  ARG  58          HH11      ARG  58  -4.091   2.181 -13.423
  423   HH12  ARG  58          HH12      ARG  58  -3.571   0.811 -14.348
  424   HH21  ARG  58          HH21      ARG  58  -2.425   2.701 -17.056
  425   HH22  ARG  58          HH22      ARG  58  -2.626   1.106 -16.409
  426    H    SER  59           H        SER  59  -3.004   6.878  -9.893
  427    HA   SER  59           HA       SER  59  -5.635   7.083  -8.685
  428    HB2  SER  59           HB2      SER  59  -3.226   8.471  -8.372
  429    HB3  SER  59           HB3      SER  59  -4.315   9.625  -9.142
  430    HG   SER  59           HG       SER  59  -5.018   8.093  -6.863
  431    H    ALA  60           H        ALA  60  -4.130   7.638 -11.742
  432    HA   ALA  60           HA       ALA  60  -5.755   9.596 -12.853
  433    HB1  ALA  60           HB1      ALA  60  -4.695   9.133 -14.783
  434    HB2  ALA  60           HB2      ALA  60  -5.005   7.401 -14.661
  435    HB3  ALA  60           HB3      ALA  60  -3.679   8.126 -13.753
  436    H    LEU  61           H        LEU  61  -6.513   6.326 -12.044
  437    HA   LEU  61           HA       LEU  61  -9.044   6.529 -13.534
  438    HB2  LEU  61           HB2      LEU  61  -7.272   4.239 -12.852
  439    HB3  LEU  61           HB3      LEU  61  -8.998   3.943 -12.915
  440    HG   LEU  61           HG       LEU  61  -8.757   5.160 -15.265
  441   HD11  LEU  61          HD11      LEU  61  -6.256   5.457 -14.730
  442   HD12  LEU  61          HD12      LEU  61  -6.713   4.888 -16.335
  443   HD13  LEU  61          HD13      LEU  61  -6.122   3.744 -15.129
  444   HD21  LEU  61          HD21      LEU  61  -8.066   2.707 -16.079
  445   HD22  LEU  61          HD22      LEU  61  -9.671   3.100 -15.462
  446   HD23  LEU  61          HD23      LEU  61  -8.479   2.347 -14.403
  447    H    MET  62           H        MET  62  -7.566   6.019 -10.420
  448    HA   MET  62           HA       MET  62  -9.928   5.179  -9.073
  449    HB2  MET  62           HB2      MET  62  -7.358   6.367  -8.018
  450    HB3  MET  62           HB3      MET  62  -8.635   5.708  -7.005
  451    HG2  MET  62           HG2      MET  62  -7.380   4.043  -9.145
  452    HG3  MET  62           HG3      MET  62  -6.595   4.245  -7.580
  453    HE1  MET  62           HE1      MET  62 -10.108   1.902  -8.905
  454    HE2  MET  62           HE2      MET  62  -8.534   1.106  -8.894
  455    HE3  MET  62           HE3      MET  62  -8.747   2.628  -9.757
  456    H    GLU  63           H        GLU  63  -8.121   8.253  -8.907
  457    HA   GLU  63           HA       GLU  63 -10.634   9.714  -8.788
  458    HB2  GLU  63           HB2      GLU  63  -8.578   9.748  -6.581
  459    HB3  GLU  63           HB3      GLU  63  -9.772  11.021  -6.789
  460    HG2  GLU  63           HG2      GLU  63 -11.555   9.581  -6.301
  461    HG3  GLU  63           HG3      GLU  63 -10.557   8.142  -6.508
  462    H    GLN  64           H        GLN  64 -10.069  10.625 -10.763
  463    HA   GLN  64           HA       GLN  64  -7.999  12.692 -10.588
  464    HB2  GLN  64           HB2      GLN  64  -7.344  10.475 -11.870
  465    HB3  GLN  64           HB3      GLN  64  -8.290  11.203 -13.161
  466    HG2  GLN  64           HG2      GLN  64  -6.122  11.880 -13.616
  467    HG3  GLN  64           HG3      GLN  64  -6.830  13.275 -12.803
  468   HE21  GLN  64          HE21      GLN  64  -4.436  13.673 -12.597
  469   HE22  GLN  64          HE22      GLN  64  -3.666  13.068 -11.172
  470    H    ARG  65           H        ARG  65  -8.741  14.611 -11.209
  471    HA   ARG  65           HA       ARG  65 -11.243  14.698 -12.750
  472    HB2  ARG  65           HB2      ARG  65 -10.068  16.435 -10.630
  473    HB3  ARG  65           HB3      ARG  65 -11.098  17.188 -11.841
  474    HG2  ARG  65           HG2      ARG  65 -12.643  16.687 -10.242
  475    HG3  ARG  65           HG3      ARG  65 -12.721  15.220 -11.219
  476    HD2  ARG  65           HD2      ARG  65 -11.301  14.049  -9.684
  477    HD3  ARG  65           HD3      ARG  65 -10.986  15.527  -8.775
  478    HE   ARG  65           HE       ARG  65 -13.767  14.897  -8.868
  479   HH11  ARG  65          HH11      ARG  65 -10.769  14.114  -7.261
  480   HH12  ARG  65          HH12      ARG  65 -11.543  13.579  -5.807
  481   HH21  ARG  65          HH21      ARG  65 -14.786  14.195  -6.956
  482   HH22  ARG  65          HH22      ARG  65 -13.823  13.625  -5.633
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  26.522 -18.635   6.221
    2    H2   GLY   1           H2       GLY   1  24.888 -19.061   6.116
    3    H3   GLY   1           H3       GLY   1  25.674 -19.094   7.613
    4    HA2  GLY   1           HA2      GLY   1  25.879 -16.746   7.681
    5    HA3  GLY   1           HA3      GLY   1  25.330 -16.621   6.016
    6    H    SER   2           H        SER   2  23.739 -15.119   6.830
    7    HA   SER   2           HA       SER   2  21.385 -16.522   7.896
    8    HB2  SER   2           HB2      SER   2  22.387 -15.207   9.716
    9    HB3  SER   2           HB3      SER   2  22.309 -13.757   8.715
   10    HG   SER   2           HG       SER   2  20.498 -13.684   9.929
   11    H    GLY   3           H        GLY   3  20.057 -16.579   6.187
   12    HA2  GLY   3           HA2      GLY   3  19.933 -14.320   4.351
   13    HA3  GLY   3           HA3      GLY   3  19.140 -15.875   4.144
   14    H    MET   4           H        MET   4  18.567 -12.699   4.626
   15    HA   MET   4           HA       MET   4  15.927 -13.259   5.783
   16    HB2  MET   4           HB2      MET   4  17.713 -12.144   7.360
   17    HB3  MET   4           HB3      MET   4  17.308 -10.692   6.456
   18    HG2  MET   4           HG2      MET   4  15.219 -10.553   7.337
   19    HG3  MET   4           HG3      MET   4  15.071 -12.297   7.547
   20    HE1  MET   4           HE1      MET   4  18.128  -9.988   9.776
   21    HE2  MET   4           HE2      MET   4  16.667  -9.010   9.933
   22    HE3  MET   4           HE3      MET   4  17.264  -9.455   8.333
   23    H    LYS   5           H        LYS   5  14.533 -12.838   4.204
   24    HA   LYS   5           HA       LYS   5  15.035 -10.524   2.456
   25    HB2  LYS   5           HB2      LYS   5  14.879 -12.768   1.366
   26    HB3  LYS   5           HB3      LYS   5  13.219 -12.883   1.936
   27    HG2  LYS   5           HG2      LYS   5  12.477 -11.212   0.505
   28    HG3  LYS   5           HG3      LYS   5  14.101 -10.564   0.264
   29    HD2  LYS   5           HD2      LYS   5  13.748 -11.678  -1.725
   30    HD3  LYS   5           HD3      LYS   5  14.574 -12.912  -0.774
   31    HE2  LYS   5           HE2      LYS   5  11.597 -12.762  -0.688
   32    HE3  LYS   5           HE3      LYS   5  12.378 -13.473  -2.101
   33    HZ1  LYS   5           HZ1      LYS   5  11.909 -15.203  -0.559
   34    HZ2  LYS   5           HZ2      LYS   5  12.632 -14.360   0.719
   35    HZ3  LYS   5           HZ3      LYS   5  13.583 -14.962  -0.543
   36    H    GLU   6           H        GLU   6  13.759  -8.809   2.649
   37    HA   GLU   6           HA       GLU   6  11.427  -8.959   4.379
   38    HB2  GLU   6           HB2      GLU   6  13.334  -7.075   4.160
   39    HB3  GLU   6           HB3      GLU   6  12.150  -6.413   3.040
   40    HG2  GLU   6           HG2      GLU   6  10.460  -6.715   4.931
   41    HG3  GLU   6           HG3      GLU   6  11.864  -6.930   5.976
   42    H    PHE   7           H        PHE   7   9.478  -9.349   3.587
   43    HA   PHE   7           HA       PHE   7   8.767  -8.253   0.959
   44    HB2  PHE   7           HB2      PHE   7   7.330 -10.531   0.894
   45    HB3  PHE   7           HB3      PHE   7   8.929 -10.380   0.176
   46    HD1  PHE   7           HD1      PHE   7   7.237 -11.351   3.345
   47    HD2  PHE   7           HD2      PHE   7  10.603 -11.853   0.789
   48    HE1  PHE   7           HE1      PHE   7   8.040 -13.191   4.768
   49    HE2  PHE   7           HE2      PHE   7  11.411 -13.693   2.208
   50    HZ   PHE   7           HZ       PHE   7  10.129 -14.365   4.200
   51    HA   PRO   8           HA       PRO   8   4.941  -7.249   2.964
   52    HB2  PRO   8           HB2      PRO   8   3.276  -6.989   0.922
   53    HB3  PRO   8           HB3      PRO   8   4.741  -5.997   0.994
   54    HG2  PRO   8           HG2      PRO   8   4.197  -8.458  -0.618
   55    HG3  PRO   8           HG3      PRO   8   5.042  -6.977  -1.093
   56    HD2  PRO   8           HD2      PRO   8   6.261  -9.336  -0.243
   57    HD3  PRO   8           HD3      PRO   8   7.030  -7.739  -0.291
   58    H    CYS   9           H        CYS   9   2.377  -7.816   2.488
   59    HA   CYS   9           HA       CYS   9   2.227 -10.709   2.956
   60    HB2  CYS   9           HB2      CYS   9  -0.058 -10.139   3.915
   61    HB3  CYS   9           HB3      CYS   9   1.332  -9.564   4.825
   62    H    TRP  10           H        TRP  10   0.833  -8.066   1.082
   63    HA   TRP  10           HA       TRP  10  -1.191  -9.492  -0.214
   64    HB2  TRP  10           HB2      TRP  10  -0.839  -7.737  -2.061
   65    HB3  TRP  10           HB3      TRP  10  -1.302  -7.173  -0.465
   66    HD1  TRP  10           HD1      TRP  10   0.513  -5.774   0.925
   67    HE1  TRP  10           HE1      TRP  10   2.637  -4.523   0.185
   68    HE3  TRP  10           HE3      TRP  10   1.107  -7.855  -3.699
   69    HZ2  TRP  10           HZ2      TRP  10   4.342  -4.434  -2.063
   70    HZ3  TRP  10           HZ3      TRP  10   3.008  -7.132  -5.088
   71    HH2  TRP  10           HH2      TRP  10   4.592  -5.456  -4.284
   72    H    LEU  11           H        LEU  11   2.202  -9.720  -0.551
   73    HA   LEU  11           HA       LEU  11   2.145 -10.733  -3.248
   74    HB2  LEU  11           HB2      LEU  11   4.267 -10.357  -1.173
   75    HB3  LEU  11           HB3      LEU  11   4.586 -11.351  -2.584
   76    HG   LEU  11           HG       LEU  11   3.793  -8.437  -2.610
   77   HD11  LEU  11          HD11      LEU  11   6.301  -9.070  -3.860
   78   HD12  LEU  11          HD12      LEU  11   6.293  -9.641  -2.192
   79   HD13  LEU  11          HD13      LEU  11   5.958  -7.947  -2.546
   80   HD21  LEU  11          HD21      LEU  11   4.255 -10.434  -4.806
   81   HD22  LEU  11          HD22      LEU  11   4.432  -8.699  -5.067
   82   HD23  LEU  11          HD23      LEU  11   2.877  -9.360  -4.561
   83    H    VAL  12           H        VAL  12   0.984 -12.041  -0.557
   84    HA   VAL  12           HA       VAL  12   1.199 -14.723  -1.548
   85    HB   VAL  12           HB       VAL  12   2.005 -15.605   0.711
   86   HG11  VAL  12          HG11      VAL  12   3.291 -15.383  -1.538
   87   HG12  VAL  12          HG12      VAL  12   4.173 -15.771  -0.061
   88   HG13  VAL  12          HG13      VAL  12   4.188 -14.123  -0.690
   89   HG21  VAL  12          HG21      VAL  12   2.971 -12.756   0.932
   90   HG22  VAL  12          HG22      VAL  12   3.510 -14.089   1.954
   91   HG23  VAL  12          HG23      VAL  12   1.826 -13.569   1.999
   92    H    GLU  13           H        GLU  13  -0.868 -12.766  -0.986
   93    HA   GLU  13           HA       GLU  13  -2.700 -14.462   0.414
   94    HB2  GLU  13           HB2      GLU  13  -3.219 -13.058   2.276
   95    HB3  GLU  13           HB3      GLU  13  -1.475 -13.284   2.282
   96    HG2  GLU  13           HG2      GLU  13  -1.588 -11.050   2.656
   97    HG3  GLU  13           HG3      GLU  13  -1.511 -11.061   0.895
   98    H    GLU  14           H        GLU  14  -4.790 -12.924   0.907
   99    HA   GLU  14           HA       GLU  14  -5.408 -11.739  -1.700
  100    HB2  GLU  14           HB2      GLU  14  -7.729 -12.056  -1.140
  101    HB3  GLU  14           HB3      GLU  14  -6.866 -13.547  -0.798
  102    HG2  GLU  14           HG2      GLU  14  -6.749 -12.231   1.597
  103    HG3  GLU  14           HG3      GLU  14  -8.343 -11.792   0.987
  104    H    PHE  15           H        PHE  15  -4.723  -9.644  -1.645
  105    HA   PHE  15           HA       PHE  15  -5.350  -8.023   0.696
  106    HB2  PHE  15           HB2      PHE  15  -3.738  -6.510  -0.014
  107    HB3  PHE  15           HB3      PHE  15  -3.083  -8.042  -0.576
  108    HD1  PHE  15           HD1      PHE  15  -4.960  -5.040  -1.660
  109    HD2  PHE  15           HD2      PHE  15  -2.617  -8.390  -2.844
  110    HE1  PHE  15           HE1      PHE  15  -4.813  -4.126  -3.937
  111    HE2  PHE  15           HE2      PHE  15  -2.464  -7.478  -5.125
  112    HZ   PHE  15           HZ       PHE  15  -3.564  -5.344  -5.671
  113    H    VAL  16           H        VAL  16  -6.728  -6.330   0.731
  114    HA   VAL  16           HA       VAL  16  -8.252  -5.779  -1.729
  115    HB   VAL  16           HB       VAL  16 -10.183  -5.261  -0.092
  116   HG11  VAL  16          HG11      VAL  16 -11.112  -7.315  -0.549
  117   HG12  VAL  16          HG12      VAL  16  -9.611  -8.185  -0.234
  118   HG13  VAL  16          HG13      VAL  16  -9.802  -7.265  -1.728
  119   HG21  VAL  16          HG21      VAL  16  -8.386  -5.776   1.832
  120   HG22  VAL  16          HG22      VAL  16  -9.101  -7.378   1.658
  121   HG23  VAL  16          HG23      VAL  16 -10.122  -5.995   2.047
  122    H    VAL  17           H        VAL  17  -8.228  -3.708  -2.317
  123    HA   VAL  17           HA       VAL  17  -6.848  -1.737  -0.859
  124    HB   VAL  17           HB       VAL  17  -8.867  -1.227  -3.045
  125   HG11  VAL  17          HG11      VAL  17  -6.859   0.398  -1.633
  126   HG12  VAL  17          HG12      VAL  17  -8.347   0.884  -2.445
  127   HG13  VAL  17          HG13      VAL  17  -6.887   0.580  -3.386
  128   HG21  VAL  17          HG21      VAL  17  -6.776  -1.259  -4.511
  129   HG22  VAL  17          HG22      VAL  17  -7.421  -2.815  -3.987
  130   HG23  VAL  17          HG23      VAL  17  -6.007  -2.131  -3.185
  131    H    ALA  18           H        ALA  18  -7.678  -1.466   1.192
  132    HA   ALA  18           HA       ALA  18 -10.481  -0.881   1.594
  133    HB1  ALA  18           HB1      ALA  18  -9.607  -2.060   3.386
  134    HB2  ALA  18           HB2      ALA  18  -9.587  -0.401   3.984
  135    HB3  ALA  18           HB3      ALA  18  -8.101  -1.142   3.389
  136    H    GLU  19           H        GLU  19  -7.501   0.846   1.197
  137    HA   GLU  19           HA       GLU  19  -8.973   3.381   1.322
  138    HB2  GLU  19           HB2      GLU  19  -6.186   3.036   2.432
  139    HB3  GLU  19           HB3      GLU  19  -7.205   4.465   2.533
  140    HG2  GLU  19           HG2      GLU  19  -8.695   2.420   3.703
  141    HG3  GLU  19           HG3      GLU  19  -7.049   2.191   4.287
  142    H    GLU  20           H        GLU  20  -8.840   4.284  -0.629
  143    HA   GLU  20           HA       GLU  20  -7.267   3.485  -2.733
  144    HB2  GLU  20           HB2      GLU  20  -8.338   6.251  -2.162
  145    HB3  GLU  20           HB3      GLU  20  -7.694   5.738  -3.714
  146    HG2  GLU  20           HG2      GLU  20 -10.136   4.675  -2.319
  147    HG3  GLU  20           HG3      GLU  20 -10.082   5.647  -3.790
  148    H    CYS  21           H        CYS  21  -5.467   4.614  -3.826
  149    HA   CYS  21           HA       CYS  21  -3.418   5.218  -1.874
  150    HB2  CYS  21           HB2      CYS  21  -1.834   5.004  -3.682
  151    HB3  CYS  21           HB3      CYS  21  -2.941   3.645  -3.713
  152    H    SER  22           H        SER  22  -2.262   7.091  -1.712
  153    HA   SER  22           HA       SER  22  -3.132   9.365  -3.353
  154    HB2  SER  22           HB2      SER  22  -3.311   9.071  -0.402
  155    HB3  SER  22           HB3      SER  22  -2.784  10.637  -1.017
  156    HG   SER  22           HG       SER  22  -4.710  10.970  -1.873
  157    HA   PRO  23           HA       PRO  23   0.968  10.812  -3.921
  158    HB2  PRO  23           HB2      PRO  23   0.305  13.129  -2.147
  159    HB3  PRO  23           HB3      PRO  23   1.080  13.116  -3.736
  160    HG2  PRO  23           HG2      PRO  23  -1.481  13.787  -3.492
  161    HG3  PRO  23           HG3      PRO  23  -0.927  12.805  -4.860
  162    HD2  PRO  23           HD2      PRO  23  -2.474  11.998  -2.451
  163    HD3  PRO  23           HD3      PRO  23  -2.516  11.336  -4.096
  164    H    CYS  24           H        CYS  24   3.003  11.157  -2.877
  165    HA   CYS  24           HA       CYS  24   3.040  10.227  -0.080
  166    HB2  CYS  24           HB2      CYS  24   5.114   9.863  -2.251
  167    HB3  CYS  24           HB3      CYS  24   5.280   9.310  -0.590
  168    H    SER  25           H        SER  25   3.631  11.711   1.346
  169    HA   SER  25           HA       SER  25   4.537  14.270   0.729
  170    HB2  SER  25           HB2      SER  25   4.300  12.644   3.196
  171    HB3  SER  25           HB3      SER  25   5.404  14.017   3.275
  172    HG   SER  25           HG       SER  25   2.757  14.240   2.301
  173    H    ASN  26           H        ASN  26   6.675  15.010   2.106
  174    HA   ASN  26           HA       ASN  26   8.843  14.290   0.490
  175    HB2  ASN  26           HB2      ASN  26   8.629  15.735   3.118
  176    HB3  ASN  26           HB3      ASN  26  10.200  15.405   2.393
  177   HD21  ASN  26          HD21      ASN  26  10.600  17.606   2.142
  178   HD22  ASN  26          HD22      ASN  26   9.824  18.542   0.914
  179    H    PHE  27           H        PHE  27   7.719  13.023   3.553
  180    HA   PHE  27           HA       PHE  27  10.079  11.350   3.862
  181    HB2  PHE  27           HB2      PHE  27   8.503  12.540   5.704
  182    HB3  PHE  27           HB3      PHE  27   7.742  10.953   5.639
  183    HD1  PHE  27           HD1      PHE  27  11.012  12.636   6.129
  184    HD2  PHE  27           HD2      PHE  27   8.660   9.153   6.792
  185    HE1  PHE  27           HE1      PHE  27  12.757  11.746   7.618
  186    HE2  PHE  27           HE2      PHE  27  10.400   8.256   8.283
  187    HZ   PHE  27           HZ       PHE  27  12.453   9.553   8.697
  188    H    ARG  28           H        ARG  28   6.721  11.100   2.912
  189    HA   ARG  28           HA       ARG  28   6.554   8.266   2.984
  190    HB2  ARG  28           HB2      ARG  28   4.634   9.953   2.927
  191    HB3  ARG  28           HB3      ARG  28   4.924  10.058   1.196
  192    HG2  ARG  28           HG2      ARG  28   4.214   7.894   0.812
  193    HG3  ARG  28           HG3      ARG  28   4.489   7.398   2.482
  194    HD2  ARG  28           HD2      ARG  28   2.295   9.181   1.443
  195    HD3  ARG  28           HD3      ARG  28   2.124   7.560   2.109
  196    HE   ARG  28           HE       ARG  28   2.285   9.999   3.569
  197   HH11  ARG  28          HH11      ARG  28   3.111   6.611   3.700
  198   HH12  ARG  28          HH12      ARG  28   3.095   6.546   5.431
  199   HH21  ARG  28          HH21      ARG  28   2.264   9.916   5.844
  200   HH22  ARG  28          HH22      ARG  28   2.614   8.422   6.649
  201    H    ALA  29           H        ALA  29   7.253  10.593   0.405
  202    HA   ALA  29           HA       ALA  29   7.407   8.786  -1.722
  203    HB1  ALA  29           HB1      ALA  29   9.110  10.628  -2.572
  204    HB2  ALA  29           HB2      ALA  29   8.437  11.522  -1.209
  205    HB3  ALA  29           HB3      ALA  29   7.375  10.931  -2.487
  206    H    LYS  30           H        LYS  30   9.701   9.574   0.788
  207    HA   LYS  30           HA       LYS  30  11.858   8.148  -0.539
  208    HB2  LYS  30           HB2      LYS  30  11.906  10.284   1.095
  209    HB3  LYS  30           HB3      LYS  30  12.137   9.011   2.284
  210    HG2  LYS  30           HG2      LYS  30  14.305   9.399   1.773
  211    HG3  LYS  30           HG3      LYS  30  13.948   8.217   0.511
  212    HD2  LYS  30           HD2      LYS  30  13.505  11.126  -0.010
  213    HD3  LYS  30           HD3      LYS  30  15.137  10.458  -0.098
  214    HE2  LYS  30           HE2      LYS  30  14.118   8.682  -1.638
  215    HE3  LYS  30           HE3      LYS  30  12.728   9.763  -1.751
  216    HZ1  LYS  30           HZ1      LYS  30  14.805   9.882  -3.394
  217    HZ2  LYS  30           HZ2      LYS  30  15.331  10.972  -2.212
  218    HZ3  LYS  30           HZ3      LYS  30  13.861  11.230  -3.007
  219    H    THR  31           H        THR  31  10.175   7.901   2.597
  220    HA   THR  31           HA       THR  31  11.247   5.428   3.338
  221    HB   THR  31           HB       THR  31   8.498   6.423   4.090
  222    HG1  THR  31           HG1      THR  31   9.597   7.527   5.776
  223   HG21  THR  31          HG21      THR  31   9.890   5.420   6.302
  224   HG22  THR  31          HG22      THR  31  10.110   4.248   5.002
  225   HG23  THR  31          HG23      THR  31   8.485   4.722   5.496
  226    H    THR  32           H        THR  32   7.987   6.072   2.030
  227    HA   THR  32           HA       THR  32   7.506   3.296   1.524
  228    HB   THR  32           HB       THR  32   5.988   5.732   0.577
  229    HG1  THR  32           HG1      THR  32   5.847   5.726   2.747
  230   HG21  THR  32          HG21      THR  32   5.091   4.092  -0.745
  231   HG22  THR  32          HG22      THR  32   4.076   3.973   0.692
  232   HG23  THR  32          HG23      THR  32   5.388   2.821   0.440
  233    HA   PRO  33           HA       PRO  33   9.694   3.486  -2.419
  234    HB2  PRO  33           HB2      PRO  33   9.634   0.834  -2.928
  235    HB3  PRO  33           HB3      PRO  33  10.762   1.556  -1.776
  236    HG2  PRO  33           HG2      PRO  33   8.177   0.138  -1.263
  237    HG3  PRO  33           HG3      PRO  33   9.719   0.001  -0.398
  238    HD2  PRO  33           HD2      PRO  33   7.632   1.496   0.509
  239    HD3  PRO  33           HD3      PRO  33   9.328   1.889   0.851
  240    H    GLU  34           H        GLU  34   6.475   2.767  -1.751
  241    HA   GLU  34           HA       GLU  34   5.784   2.008  -4.472
  242    HB2  GLU  34           HB2      GLU  34   4.408   2.046  -1.850
  243    HB3  GLU  34           HB3      GLU  34   3.394   2.338  -3.256
  244    HG2  GLU  34           HG2      GLU  34   3.469  -0.027  -2.578
  245    HG3  GLU  34           HG3      GLU  34   4.033   0.241  -4.226
  246    H    CYS  35           H        CYS  35   6.980   4.534  -4.265
  247    HA   CYS  35           HA       CYS  35   4.755   6.246  -5.119
  248    HB2  CYS  35           HB2      CYS  35   7.112   7.301  -3.565
  249    HB3  CYS  35           HB3      CYS  35   5.612   8.132  -3.958
  250    H    GLY  36           H        GLY  36   7.252   4.629  -6.223
  251    HA2  GLY  36           HA2      GLY  36   8.644   6.741  -7.642
  252    HA3  GLY  36           HA3      GLY  36   8.990   5.024  -7.727
  253    HA   PRO  37           HA       PRO  37   6.497   4.702 -11.371
  254    HB2  PRO  37           HB2      PRO  37   4.551   2.890 -11.012
  255    HB3  PRO  37           HB3      PRO  37   6.260   2.447 -10.959
  256    HG2  PRO  37           HG2      PRO  37   4.336   2.851  -8.718
  257    HG3  PRO  37           HG3      PRO  37   5.642   1.667  -8.879
  258    HD2  PRO  37           HD2      PRO  37   5.784   4.028  -7.425
  259    HD3  PRO  37           HD3      PRO  37   7.176   3.085  -7.989
  260    H    THR  38           H        THR  38   4.046   4.805  -8.771
  261    HA   THR  38           HA       THR  38   2.400   6.526 -10.498
  262    HB   THR  38           HB       THR  38   1.048   4.724  -9.895
  263    HG1  THR  38           HG1      THR  38  -0.474   5.595  -8.580
  264   HG21  THR  38          HG21      THR  38   0.862   3.778  -7.659
  265   HG22  THR  38          HG22      THR  38   2.129   4.869  -7.095
  266   HG23  THR  38          HG23      THR  38   2.500   3.633  -8.297
  267    H    GLY  39           H        GLY  39   3.916   6.286  -7.344
  268    HA2  GLY  39           HA2      GLY  39   4.579   8.047  -5.968
  269    HA3  GLY  39           HA3      GLY  39   3.721   9.164  -7.022
  270    H    TYR  40           H        TYR  40   1.586   6.781  -6.508
  271    HA   TYR  40           HA       TYR  40   0.397   8.102  -4.164
  272    HB2  TYR  40           HB2      TYR  40  -0.863   6.807  -6.585
  273    HB3  TYR  40           HB3      TYR  40  -1.776   7.187  -5.133
  274    HD1  TYR  40           HD1      TYR  40   0.780   9.049  -7.139
  275    HD2  TYR  40           HD2      TYR  40  -3.135   9.014  -5.476
  276    HE1  TYR  40           HE1      TYR  40   0.409  11.327  -7.982
  277    HE2  TYR  40           HE2      TYR  40  -3.518  11.293  -6.315
  278    HH   TYR  40           HH       TYR  40  -2.003  12.689  -8.606
  279    H    VAL  41           H        VAL  41   0.130   6.849  -2.385
  280    HA   VAL  41           HA       VAL  41   0.334   3.932  -2.759
  281    HB   VAL  41           HB       VAL  41   1.311   3.755  -0.549
  282   HG11  VAL  41          HG11      VAL  41   3.417   5.178  -1.003
  283   HG12  VAL  41          HG12      VAL  41   2.598   5.625  -2.500
  284   HG13  VAL  41          HG13      VAL  41   2.966   3.933  -2.168
  285   HG21  VAL  41          HG21      VAL  41   0.583   5.387   0.853
  286   HG22  VAL  41          HG22      VAL  41   0.586   6.623  -0.406
  287   HG23  VAL  41          HG23      VAL  41   2.099   6.142   0.361
  288    H    GLU  42           H        GLU  42  -1.226   2.672  -2.040
  289    HA   GLU  42           HA       GLU  42  -3.462   3.883  -0.570
  290    HB2  GLU  42           HB2      GLU  42  -4.621   1.702  -1.341
  291    HB3  GLU  42           HB3      GLU  42  -4.308   2.946  -2.537
  292    HG2  GLU  42           HG2      GLU  42  -2.879   1.668  -3.685
  293    HG3  GLU  42           HG3      GLU  42  -2.159   0.992  -2.228
  294    H    LYS  43           H        LYS  43  -4.710   2.097   0.733
  295    HA   LYS  43           HA       LYS  43  -2.740   0.705   2.424
  296    HB2  LYS  43           HB2      LYS  43  -4.344   2.731   3.240
  297    HB3  LYS  43           HB3      LYS  43  -5.379   1.352   3.584
  298    HG2  LYS  43           HG2      LYS  43  -4.035   0.576   5.240
  299    HG3  LYS  43           HG3      LYS  43  -2.564   1.200   4.491
  300    HD2  LYS  43           HD2      LYS  43  -2.804   3.274   5.423
  301    HD3  LYS  43           HD3      LYS  43  -4.565   3.162   5.480
  302    HE2  LYS  43           HE2      LYS  43  -4.569   2.173   7.510
  303    HE3  LYS  43           HE3      LYS  43  -3.106   1.246   7.177
  304    HZ1  LYS  43           HZ1      LYS  43  -2.063   3.656   7.318
  305    HZ2  LYS  43           HZ2      LYS  43  -2.282   2.691   8.690
  306    HZ3  LYS  43           HZ3      LYS  43  -3.395   3.912   8.327
  307    H    ILE  44           H        ILE  44  -2.845  -1.284   1.451
  308    HA   ILE  44           HA       ILE  44  -5.433  -2.554   1.039
  309    HB   ILE  44           HB       ILE  44  -4.190  -4.368  -0.008
  310   HG12  ILE  44          HG12      ILE  44  -1.634  -3.809  -0.343
  311   HG13  ILE  44          HG13      ILE  44  -1.845  -2.920   1.161
  312   HG21  ILE  44          HG21      ILE  44  -3.193  -3.103  -1.877
  313   HG22  ILE  44          HG22      ILE  44  -3.303  -1.633  -0.909
  314   HG23  ILE  44          HG23      ILE  44  -4.770  -2.481  -1.393
  315   HD11  ILE  44          HD11      ILE  44  -1.444  -5.701   0.769
  316   HD12  ILE  44          HD12      ILE  44  -3.020  -5.457   1.521
  317   HD13  ILE  44          HD13      ILE  44  -1.569  -4.800   2.279
  318    H    THR  45           H        THR  45  -6.245  -4.200   2.230
  319    HA   THR  45           HA       THR  45  -4.805  -4.886   4.692
  320    HB   THR  45           HB       THR  45  -7.701  -5.428   4.016
  321    HG1  THR  45           HG1      THR  45  -7.770  -3.313   4.148
  322   HG21  THR  45          HG21      THR  45  -7.853  -6.424   5.976
  323   HG22  THR  45          HG22      THR  45  -7.209  -4.992   6.780
  324   HG23  THR  45          HG23      THR  45  -6.112  -6.244   6.194
  325    H    CYS  46           H        CYS  46  -4.042  -6.889   5.054
  326    HA   CYS  46           HA       CYS  46  -4.530  -8.903   2.981
  327    HB2  CYS  46           HB2      CYS  46  -2.362  -8.773   5.089
  328    HB3  CYS  46           HB3      CYS  46  -2.509 -10.015   3.864
  329    H    SER  47           H        SER  47  -5.827 -10.563   3.367
  330    HA   SER  47           HA       SER  47  -7.081 -10.992   5.854
  331    HB2  SER  47           HB2      SER  47  -8.177 -11.752   3.854
  332    HB3  SER  47           HB3      SER  47  -6.796 -12.760   3.419
  333    HG   SER  47           HG       SER  47  -8.816 -13.204   5.276
  334    H    SER  48           H        SER  48  -4.045 -11.968   4.590
  335    HA   SER  48           HA       SER  48  -3.691 -14.184   6.408
  336    HB2  SER  48           HB2      SER  48  -2.673 -13.882   4.018
  337    HB3  SER  48           HB3      SER  48  -1.456 -12.919   4.855
  338    HG   SER  48           HG       SER  48  -2.020 -15.659   5.065
  339    H    SER  49           H        SER  49  -3.623 -13.563   8.460
  340    HA   SER  49           HA       SER  49  -2.710 -12.831  10.412
  341    HB2  SER  49           HB2      SER  49  -0.532 -12.427   8.523
  342    HB3  SER  49           HB3      SER  49  -0.526 -11.215   9.801
  343    HG   SER  49           HG       SER  49   0.618 -12.953  10.551
  344    H    LYS  50           H        LYS  50  -4.339 -11.118   8.330
  345    HA   LYS  50           HA       LYS  50  -5.174  -8.989   8.166
  346    HB2  LYS  50           HB2      LYS  50  -5.197  -9.811  10.987
  347    HB3  LYS  50           HB3      LYS  50  -5.346  -8.076  10.743
  348    HG2  LYS  50           HG2      LYS  50  -7.084 -10.090   9.345
  349    HG3  LYS  50           HG3      LYS  50  -7.502  -9.349  10.892
  350    HD2  LYS  50           HD2      LYS  50  -6.707  -7.488   8.746
  351    HD3  LYS  50           HD3      LYS  50  -8.231  -8.342   8.497
  352    HE2  LYS  50           HE2      LYS  50  -7.826  -7.214  11.187
  353    HE3  LYS  50           HE3      LYS  50  -7.989  -6.035   9.886
  354    HZ1  LYS  50           HZ1      LYS  50  -9.932  -8.069  10.782
  355    HZ2  LYS  50           HZ2      LYS  50 -10.032  -7.394   9.234
  356    HZ3  LYS  50           HZ3      LYS  50 -10.154  -6.402  10.598
  357    H    ARG  51           H        ARG  51  -3.105  -8.327   7.166
  358    HA   ARG  51           HA       ARG  51  -1.742  -6.336   8.848
  359    HB2  ARG  51           HB2      ARG  51  -0.638  -8.594   7.487
  360    HB3  ARG  51           HB3      ARG  51   0.003  -7.130   6.761
  361    HG2  ARG  51           HG2      ARG  51   0.785  -6.363   8.920
  362    HG3  ARG  51           HG3      ARG  51   0.069  -7.775   9.701
  363    HD2  ARG  51           HD2      ARG  51   1.547  -9.122   8.049
  364    HD3  ARG  51           HD3      ARG  51   2.447  -7.615   7.889
  365    HE   ARG  51           HE       ARG  51   2.525  -9.425  10.082
  366   HH11  ARG  51          HH11      ARG  51   2.726  -6.037   9.268
  367   HH12  ARG  51          HH12      ARG  51   3.688  -5.634  10.651
  368   HH21  ARG  51          HH21      ARG  51   3.790  -8.897  11.901
  369   HH22  ARG  51          HH22      ARG  51   4.292  -7.257  12.145
  370    H    ASN  52           H        ASN  52  -1.886  -4.333   8.142
  371    HA   ASN  52           HA       ASN  52  -2.861  -3.839   5.436
  372    HB2  ASN  52           HB2      ASN  52  -3.152  -1.490   6.249
  373    HB3  ASN  52           HB3      ASN  52  -4.058  -2.679   7.181
  374   HD21  ASN  52          HD21      ASN  52  -3.345  -3.225   9.265
  375   HD22  ASN  52          HD22      ASN  52  -2.297  -2.182  10.159
  376    H    GLU  53           H        GLU  53  -1.309  -3.744   3.945
  377    HA   GLU  53           HA       GLU  53   1.264  -2.525   4.631
  378    HB2  GLU  53           HB2      GLU  53   0.423  -4.676   2.888
  379    HB3  GLU  53           HB3      GLU  53   1.387  -3.501   2.006
  380    HG2  GLU  53           HG2      GLU  53   2.176  -5.008   4.486
  381    HG3  GLU  53           HG3      GLU  53   2.826  -5.207   2.860
  382    H    PHE  54           H        PHE  54   2.305  -1.197   2.906
  383    HA   PHE  54           HA       PHE  54   0.340   0.713   1.860
  384    HB2  PHE  54           HB2      PHE  54   3.240   0.927   2.619
  385    HB3  PHE  54           HB3      PHE  54   2.514   2.115   1.541
  386    HD1  PHE  54           HD1      PHE  54   0.686   3.558   2.344
  387    HD2  PHE  54           HD2      PHE  54   2.772   0.916   4.947
  388    HE1  PHE  54           HE1      PHE  54  -0.181   4.795   4.287
  389    HE2  PHE  54           HE2      PHE  54   1.909   2.147   6.895
  390    HZ   PHE  54           HZ       PHE  54   0.431   4.090   6.566
  391    H    LYS  55           H        LYS  55  -0.276  -0.125  -0.077
  392    HA   LYS  55           HA       LYS  55   1.787  -0.909  -2.000
  393    HB2  LYS  55           HB2      LYS  55  -0.942  -1.697  -1.486
  394    HB3  LYS  55           HB3      LYS  55  -0.760  -1.200  -3.161
  395    HG2  LYS  55           HG2      LYS  55   1.343  -2.749  -3.086
  396    HG3  LYS  55           HG3      LYS  55   0.506  -3.469  -1.708
  397    HD2  LYS  55           HD2      LYS  55  -0.548  -4.726  -3.235
  398    HD3  LYS  55           HD3      LYS  55  -1.495  -3.275  -3.570
  399    HE2  LYS  55           HE2      LYS  55   0.969  -3.125  -5.004
  400    HE3  LYS  55           HE3      LYS  55   0.225  -4.692  -5.312
  401    HZ1  LYS  55           HZ1      LYS  55  -0.704  -2.021  -6.026
  402    HZ2  LYS  55           HZ2      LYS  55  -1.887  -3.153  -5.602
  403    HZ3  LYS  55           HZ3      LYS  55  -0.829  -3.474  -6.882
  404    H    SER  56           H        SER  56   1.050  -0.286  -4.378
  405    HA   SER  56           HA       SER  56   0.456   2.602  -4.369
  406    HB2  SER  56           HB2      SER  56   2.157   3.031  -5.862
  407    HB3  SER  56           HB3      SER  56   2.865   1.663  -5.008
  408    HG   SER  56           HG       SER  56   2.993   1.417  -7.279
  409    H    CYS  57           H        CYS  57  -1.118   3.315  -5.731
  410    HA   CYS  57           HA       CYS  57  -2.099   1.426  -7.763
  411    HB2  CYS  57           HB2      CYS  57  -4.286   1.501  -7.070
  412    HB3  CYS  57           HB3      CYS  57  -3.479   1.635  -5.523
  413    H    ARG  58           H        ARG  58  -3.800   2.622  -9.195
  414    HA   ARG  58           HA       ARG  58  -2.430   5.005 -10.161
  415    HB2  ARG  58           HB2      ARG  58  -4.762   3.685 -11.520
  416    HB3  ARG  58           HB3      ARG  58  -3.465   4.632 -12.229
  417    HG2  ARG  58           HG2      ARG  58  -2.287   2.808 -12.640
  418    HG3  ARG  58           HG3      ARG  58  -2.356   2.332 -10.943
  419    HD2  ARG  58           HD2      ARG  58  -4.072   0.893 -11.278
  420    HD3  ARG  58           HD3      ARG  58  -4.816   1.903 -12.518
  421    HE   ARG  58           HE       ARG  58  -3.768   0.619 -14.076
  422   HH11  ARG  58          HH11      ARG  58  -1.973   0.374 -11.093
  423   HH12  ARG  58          HH12      ARG  58  -0.848  -0.784 -11.719
  424   HH21  ARG  58          HH21      ARG  58  -2.290  -0.903 -14.901
  425   HH22  ARG  58          HH22      ARG  58  -1.027  -1.510 -13.882
  426    H    SER  59           H        SER  59  -3.146   6.976  -9.730
  427    HA   SER  59           HA       SER  59  -5.752   7.315  -8.494
  428    HB2  SER  59           HB2      SER  59  -3.271   8.555  -8.170
  429    HB3  SER  59           HB3      SER  59  -4.278   9.778  -8.942
  430    HG   SER  59           HG       SER  59  -5.079   8.294  -6.664
  431    H    ALA  60           H        ALA  60  -4.139   7.998 -11.504
  432    HA   ALA  60           HA       ALA  60  -5.868   9.950 -12.535
  433    HB1  ALA  60           HB1      ALA  60  -5.031   9.178 -14.763
  434    HB2  ALA  60           HB2      ALA  60  -4.168   7.888 -13.923
  435    HB3  ALA  60           HB3      ALA  60  -3.769   9.576 -13.596
  436    H    LEU  61           H        LEU  61  -6.374   6.607 -11.980
  437    HA   LEU  61           HA       LEU  61  -8.728   6.623 -13.746
  438    HB2  LEU  61           HB2      LEU  61  -6.744   4.825 -13.785
  439    HB3  LEU  61           HB3      LEU  61  -7.751   4.088 -12.552
  440    HG   LEU  61           HG       LEU  61  -9.662   4.167 -14.186
  441   HD11  LEU  61          HD11      LEU  61  -8.578   4.201 -16.629
  442   HD12  LEU  61          HD12      LEU  61  -7.525   5.368 -15.833
  443   HD13  LEU  61          HD13      LEU  61  -9.268   5.631 -15.863
  444   HD21  LEU  61          HD21      LEU  61  -9.079   2.140 -15.168
  445   HD22  LEU  61          HD22      LEU  61  -8.059   2.203 -13.731
  446   HD23  LEU  61          HD23      LEU  61  -7.379   2.586 -15.312
  447    H    MET  62           H        MET  62  -7.584   6.159 -10.483
  448    HA   MET  62           HA       MET  62  -9.920   5.035  -9.384
  449    HB2  MET  62           HB2      MET  62  -7.544   6.469  -8.285
  450    HB3  MET  62           HB3      MET  62  -8.940   6.239  -7.241
  451    HG2  MET  62           HG2      MET  62  -7.404   4.063  -8.641
  452    HG3  MET  62           HG3      MET  62  -7.290   4.481  -6.933
  453    HE1  MET  62           HE1      MET  62 -10.037   1.557  -8.844
  454    HE2  MET  62           HE2      MET  62  -8.312   1.448  -8.493
  455    HE3  MET  62           HE3      MET  62  -8.900   2.630  -9.664
  456    H    GLU  63           H        GLU  63  -8.821   8.393  -9.665
  457    HA   GLU  63           HA       GLU  63 -11.560   9.313  -9.658
  458    HB2  GLU  63           HB2      GLU  63  -9.724   9.725  -7.352
  459    HB3  GLU  63           HB3      GLU  63 -10.732  11.082  -7.838
  460    HG2  GLU  63           HG2      GLU  63 -11.720   8.336  -7.098
  461    HG3  GLU  63           HG3      GLU  63 -11.764   9.764  -6.065
  462    H    GLN  64           H        GLN  64 -11.092  10.055 -11.732
  463    HA   GLN  64           HA       GLN  64  -9.619  12.572 -11.793
  464    HB2  GLN  64           HB2      GLN  64  -8.317  10.354 -12.626
  465    HB3  GLN  64           HB3      GLN  64  -9.118  10.817 -14.122
  466    HG2  GLN  64           HG2      GLN  64  -7.043  11.861 -14.228
  467    HG3  GLN  64           HG3      GLN  64  -8.147  13.140 -13.723
  468   HE21  GLN  64          HE21      GLN  64  -5.582  13.598 -13.287
  469   HE22  GLN  64          HE22      GLN  64  -5.176  13.429 -11.616
  470    H    ARG  65           H        ARG  65 -11.083  13.977 -12.488
  471    HA   ARG  65           HA       ARG  65 -13.076  13.117 -14.459
  472    HB2  ARG  65           HB2      ARG  65 -12.989  15.218 -12.353
  473    HB3  ARG  65           HB3      ARG  65 -13.943  15.553 -13.791
  474    HG2  ARG  65           HG2      ARG  65 -14.273  13.201 -11.942
  475    HG3  ARG  65           HG3      ARG  65 -15.332  14.607 -12.056
  476    HD2  ARG  65           HD2      ARG  65 -15.343  13.818 -14.622
  477    HD3  ARG  65           HD3      ARG  65 -15.082  12.262 -13.836
  478    HE   ARG  65           HE       ARG  65 -17.253  12.308 -13.144
  479   HH11  ARG  65          HH11      ARG  65 -16.293  15.562 -13.962
  480   HH12  ARG  65          HH12      ARG  65 -17.880  16.218 -13.748
  481   HH21  ARG  65          HH21      ARG  65 -19.342  13.171 -12.861
  482   HH22  ARG  65          HH22      ARG  65 -19.611  14.861 -13.122
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  17.187  -9.627  -1.536
    2    H2   GLY   1           H2       GLY   1  17.779  -8.227  -2.274
    3    H3   GLY   1           H3       GLY   1  18.701  -9.013  -1.095
    4    HA2  GLY   1           HA2      GLY   1  17.927 -10.568  -3.441
    5    HA3  GLY   1           HA3      GLY   1  19.155  -9.330  -3.665
    6    H    SER   2           H        SER   2  20.667  -9.403  -1.478
    7    HA   SER   2           HA       SER   2  21.723 -12.148  -1.488
    8    HB2  SER   2           HB2      SER   2  23.344  -9.820  -0.540
    9    HB3  SER   2           HB3      SER   2  23.870 -11.298  -1.346
   10    HG   SER   2           HG       SER   2  22.797 -10.444  -3.252
   11    H    GLY   3           H        GLY   3  21.875  -9.354   0.732
   12    HA2  GLY   3           HA2      GLY   3  22.115 -11.001   3.039
   13    HA3  GLY   3           HA3      GLY   3  21.806  -9.271   3.030
   14    H    MET   4           H        MET   4  20.120  -8.971   4.344
   15    HA   MET   4           HA       MET   4  18.073 -10.814   4.843
   16    HB2  MET   4           HB2      MET   4  18.365  -7.864   5.289
   17    HB3  MET   4           HB3      MET   4  16.828  -8.653   5.617
   18    HG2  MET   4           HG2      MET   4  19.259  -9.878   6.777
   19    HG3  MET   4           HG3      MET   4  18.713  -8.349   7.460
   20    HE1  MET   4           HE1      MET   4  16.722 -12.432   7.631
   21    HE2  MET   4           HE2      MET   4  18.024 -11.898   6.569
   22    HE3  MET   4           HE3      MET   4  16.347 -11.537   6.159
   23    H    LYS   5           H        LYS   5  15.928 -10.934   4.148
   24    HA   LYS   5           HA       LYS   5  15.249  -9.398   1.737
   25    HB2  LYS   5           HB2      LYS   5  14.174 -11.516   0.851
   26    HB3  LYS   5           HB3      LYS   5  15.932 -11.482   0.845
   27    HG2  LYS   5           HG2      LYS   5  15.659 -12.656   3.169
   28    HG3  LYS   5           HG3      LYS   5  14.072 -13.084   2.526
   29    HD2  LYS   5           HD2      LYS   5  16.553 -13.548   0.913
   30    HD3  LYS   5           HD3      LYS   5  16.055 -14.703   2.150
   31    HE2  LYS   5           HE2      LYS   5  14.875 -15.619   0.469
   32    HE3  LYS   5           HE3      LYS   5  13.720 -14.339   0.839
   33    HZ1  LYS   5           HZ1      LYS   5  15.482 -14.642  -1.450
   34    HZ2  LYS   5           HZ2      LYS   5  15.332 -13.069  -0.845
   35    HZ3  LYS   5           HZ3      LYS   5  13.958 -13.918  -1.344
   36    H    GLU   6           H        GLU   6  13.703  -8.120   2.612
   37    HA   GLU   6           HA       GLU   6  11.594  -9.355   4.227
   38    HB2  GLU   6           HB2      GLU   6  12.645  -6.589   3.907
   39    HB3  GLU   6           HB3      GLU   6  10.945  -6.768   4.316
   40    HG2  GLU   6           HG2      GLU   6  13.251  -7.917   5.871
   41    HG3  GLU   6           HG3      GLU   6  12.338  -6.470   6.296
   42    H    PHE   7           H        PHE   7   9.474  -9.398   3.617
   43    HA   PHE   7           HA       PHE   7   8.766  -8.208   1.029
   44    HB2  PHE   7           HB2      PHE   7   7.305 -10.473   0.901
   45    HB3  PHE   7           HB3      PHE   7   8.896 -10.306   0.171
   46    HD1  PHE   7           HD1      PHE   7  10.881 -11.242   1.325
   47    HD2  PHE   7           HD2      PHE   7   6.920 -11.943   2.713
   48    HE1  PHE   7           HE1      PHE   7  11.692 -13.134   2.672
   49    HE2  PHE   7           HE2      PHE   7   7.724 -13.837   4.063
   50    HZ   PHE   7           HZ       PHE   7  10.113 -14.434   4.044
   51    HA   PRO   8           HA       PRO   8   4.971  -7.176   3.055
   52    HB2  PRO   8           HB2      PRO   8   3.262  -6.952   1.031
   53    HB3  PRO   8           HB3      PRO   8   4.698  -5.921   1.108
   54    HG2  PRO   8           HG2      PRO   8   4.215  -8.382  -0.526
   55    HG3  PRO   8           HG3      PRO   8   5.006  -6.867  -0.994
   56    HD2  PRO   8           HD2      PRO   8   6.325  -9.177  -0.214
   57    HD3  PRO   8           HD3      PRO   8   7.023  -7.547  -0.183
   58    H    CYS   9           H        CYS   9   2.383  -7.764   2.594
   59    HA   CYS   9           HA       CYS   9   2.265 -10.651   3.115
   60    HB2  CYS   9           HB2      CYS   9   0.237 -10.260   4.341
   61    HB3  CYS   9           HB3      CYS   9   1.438  -9.107   4.901
   62    H    TRP  10           H        TRP  10   1.096  -8.123   1.030
   63    HA   TRP  10           HA       TRP  10  -1.043  -9.575  -0.131
   64    HB2  TRP  10           HB2      TRP  10  -0.821  -7.847  -1.973
   65    HB3  TRP  10           HB3      TRP  10  -1.109  -7.222  -0.356
   66    HD1  TRP  10           HD1      TRP  10   0.883  -5.850   0.807
   67    HE1  TRP  10           HE1      TRP  10   2.962  -4.695  -0.177
   68    HE3  TRP  10           HE3      TRP  10   0.937  -8.068  -3.784
   69    HZ2  TRP  10           HZ2      TRP  10   4.434  -4.724  -2.587
   70    HZ3  TRP  10           HZ3      TRP  10   2.712  -7.453  -5.378
   71    HH2  TRP  10           HH2      TRP  10   4.424  -5.814  -4.789
   72    H    LEU  11           H        LEU  11   2.375  -9.585  -0.611
   73    HA   LEU  11           HA       LEU  11   2.320 -10.693  -3.246
   74    HB2  LEU  11           HB2      LEU  11   4.424 -10.254  -1.170
   75    HB3  LEU  11           HB3      LEU  11   4.768 -11.297  -2.539
   76    HG   LEU  11           HG       LEU  11   3.892  -8.415  -2.743
   77   HD11  LEU  11          HD11      LEU  11   6.445  -9.534  -2.154
   78   HD12  LEU  11          HD12      LEU  11   6.010  -7.845  -2.408
   79   HD13  LEU  11          HD13      LEU  11   6.493  -8.846  -3.777
   80   HD21  LEU  11          HD21      LEU  11   3.190  -9.504  -4.701
   81   HD22  LEU  11          HD22      LEU  11   4.644 -10.498  -4.774
   82   HD23  LEU  11          HD23      LEU  11   4.738  -8.772  -5.121
   83    H    VAL  12           H        VAL  12   1.866 -11.961  -0.106
   84    HA   VAL  12           HA       VAL  12   2.038 -14.692  -1.192
   85    HB   VAL  12           HB       VAL  12   2.601 -15.406   1.192
   86   HG11  VAL  12          HG11      VAL  12   4.694 -13.783  -0.248
   87   HG12  VAL  12          HG12      VAL  12   4.179 -15.400  -0.732
   88   HG13  VAL  12          HG13      VAL  12   4.959 -15.152   0.830
   89   HG21  VAL  12          HG21      VAL  12   3.049 -13.910   2.800
   90   HG22  VAL  12          HG22      VAL  12   2.170 -12.771   1.780
   91   HG23  VAL  12          HG23      VAL  12   3.930 -12.849   1.701
   92    H    GLU  13           H        GLU  13  -0.023 -12.395  -0.106
   93    HA   GLU  13           HA       GLU  13  -1.992 -14.402   0.710
   94    HB2  GLU  13           HB2      GLU  13  -1.519 -11.823   2.220
   95    HB3  GLU  13           HB3      GLU  13  -2.797 -12.982   2.542
   96    HG2  GLU  13           HG2      GLU  13  -1.469 -14.247   3.784
   97    HG3  GLU  13           HG3      GLU  13  -0.183 -14.222   2.582
   98    H    GLU  14           H        GLU  14  -4.215 -13.184   0.977
   99    HA   GLU  14           HA       GLU  14  -4.609 -11.715  -1.516
  100    HB2  GLU  14           HB2      GLU  14  -6.830 -12.509   0.334
  101    HB3  GLU  14           HB3      GLU  14  -6.858 -12.327  -1.412
  102    HG2  GLU  14           HG2      GLU  14  -5.606 -14.367  -1.690
  103    HG3  GLU  14           HG3      GLU  14  -5.427 -14.530   0.056
  104    H    PHE  15           H        PHE  15  -4.742  -9.573  -1.522
  105    HA   PHE  15           HA       PHE  15  -5.306  -8.204   1.014
  106    HB2  PHE  15           HB2      PHE  15  -4.046  -6.350   0.223
  107    HB3  PHE  15           HB3      PHE  15  -3.103  -7.789  -0.149
  108    HD1  PHE  15           HD1      PHE  15  -5.196  -5.120  -1.557
  109    HD2  PHE  15           HD2      PHE  15  -2.653  -8.425  -2.405
  110    HE1  PHE  15           HE1      PHE  15  -5.077  -4.419  -3.912
  111    HE2  PHE  15           HE2      PHE  15  -2.527  -7.729  -4.762
  112    HZ   PHE  15           HZ       PHE  15  -3.741  -5.723  -5.517
  113    H    VAL  16           H        VAL  16  -6.512  -6.216   0.955
  114    HA   VAL  16           HA       VAL  16  -8.372  -5.979  -1.296
  115    HB   VAL  16           HB       VAL  16 -10.179  -5.473   0.456
  116   HG11  VAL  16          HG11      VAL  16 -10.736  -7.358  -0.657
  117   HG12  VAL  16          HG12      VAL  16 -10.313  -8.128   0.872
  118   HG13  VAL  16          HG13      VAL  16  -9.142  -8.083  -0.446
  119   HG21  VAL  16          HG21      VAL  16  -8.444  -7.199   2.207
  120   HG22  VAL  16          HG22      VAL  16  -9.953  -6.388   2.627
  121   HG23  VAL  16          HG23      VAL  16  -8.493  -5.441   2.340
  122    H    VAL  17           H        VAL  17  -8.366  -3.952  -2.024
  123    HA   VAL  17           HA       VAL  17  -6.984  -1.853  -0.805
  124    HB   VAL  17           HB       VAL  17  -9.233  -1.548  -2.798
  125   HG11  VAL  17          HG11      VAL  17  -8.730   0.598  -2.120
  126   HG12  VAL  17          HG12      VAL  17  -7.627   0.393  -3.481
  127   HG13  VAL  17          HG13      VAL  17  -7.031   0.223  -1.830
  128   HG21  VAL  17          HG21      VAL  17  -6.503  -1.524  -3.831
  129   HG22  VAL  17          HG22      VAL  17  -7.940  -2.342  -4.444
  130   HG23  VAL  17          HG23      VAL  17  -6.984  -3.082  -3.161
  131    H    ALA  18           H        ALA  18  -7.601  -1.496   1.305
  132    HA   ALA  18           HA       ALA  18 -10.380  -0.935   1.933
  133    HB1  ALA  18           HB1      ALA  18  -9.435  -2.075   3.691
  134    HB2  ALA  18           HB2      ALA  18  -9.237  -0.409   4.237
  135    HB3  ALA  18           HB3      ALA  18  -7.876  -1.271   3.517
  136    H    GLU  19           H        GLU  19  -7.425   0.764   1.290
  137    HA   GLU  19           HA       GLU  19  -8.871   3.305   1.447
  138    HB2  GLU  19           HB2      GLU  19  -6.076   2.951   2.539
  139    HB3  GLU  19           HB3      GLU  19  -7.064   4.404   2.602
  140    HG2  GLU  19           HG2      GLU  19  -8.625   2.496   3.847
  141    HG3  GLU  19           HG3      GLU  19  -6.990   2.123   4.386
  142    H    GLU  20           H        GLU  20  -8.786   4.118  -0.552
  143    HA   GLU  20           HA       GLU  20  -7.190   3.301  -2.634
  144    HB2  GLU  20           HB2      GLU  20  -8.351   6.048  -2.147
  145    HB3  GLU  20           HB3      GLU  20  -7.687   5.510  -3.682
  146    HG2  GLU  20           HG2      GLU  20  -9.525   4.360  -4.212
  147    HG3  GLU  20           HG3      GLU  20  -9.709   3.717  -2.582
  148    H    CYS  21           H        CYS  21  -5.416   4.460  -3.758
  149    HA   CYS  21           HA       CYS  21  -3.385   5.125  -1.823
  150    HB2  CYS  21           HB2      CYS  21  -1.808   4.973  -3.617
  151    HB3  CYS  21           HB3      CYS  21  -2.920   3.625  -3.747
  152    H    SER  22           H        SER  22  -2.295   7.024  -1.607
  153    HA   SER  22           HA       SER  22  -3.261   9.324  -3.157
  154    HB2  SER  22           HB2      SER  22  -3.332   8.941  -0.202
  155    HB3  SER  22           HB3      SER  22  -2.950  10.550  -0.815
  156    HG   SER  22           HG       SER  22  -5.240  10.070  -0.457
  157    HA   PRO  23           HA       PRO  23   0.769  10.910  -3.790
  158    HB2  PRO  23           HB2      PRO  23   0.620  13.248  -2.164
  159    HB3  PRO  23           HB3      PRO  23   0.388  13.129  -3.908
  160    HG2  PRO  23           HG2      PRO  23  -1.623  13.208  -1.734
  161    HG3  PRO  23           HG3      PRO  23  -1.757  13.752  -3.416
  162    HD2  PRO  23           HD2      PRO  23  -2.977  11.523  -2.563
  163    HD3  PRO  23           HD3      PRO  23  -2.272  11.623  -4.190
  164    H    CYS  24           H        CYS  24   2.813  11.173  -2.835
  165    HA   CYS  24           HA       CYS  24   2.963  10.244  -0.042
  166    HB2  CYS  24           HB2      CYS  24   4.894   9.890  -2.339
  167    HB3  CYS  24           HB3      CYS  24   5.241   9.414  -0.685
  168    H    SER  25           H        SER  25   3.579  11.727   1.365
  169    HA   SER  25           HA       SER  25   4.421  14.300   0.763
  170    HB2  SER  25           HB2      SER  25   5.231  12.944   3.323
  171    HB3  SER  25           HB3      SER  25   4.730  14.616   3.067
  172    HG   SER  25           HG       SER  25   2.864  13.884   3.712
  173    H    ASN  26           H        ASN  26   6.613  15.065   2.025
  174    HA   ASN  26           HA       ASN  26   8.703  14.459   0.282
  175    HB2  ASN  26           HB2      ASN  26   8.462  15.893   2.875
  176    HB3  ASN  26           HB3      ASN  26  10.080  15.412   2.377
  177   HD21  ASN  26          HD21      ASN  26   7.192  17.113   1.276
  178   HD22  ASN  26          HD22      ASN  26   8.023  18.234   0.258
  179    H    PHE  27           H        PHE  27   8.092  13.284   3.579
  180    HA   PHE  27           HA       PHE  27  10.345  11.463   3.425
  181    HB2  PHE  27           HB2      PHE  27   9.230  12.775   5.514
  182    HB3  PHE  27           HB3      PHE  27   8.422  11.218   5.661
  183    HD1  PHE  27           HD1      PHE  27   9.819   9.143   5.871
  184    HD2  PHE  27           HD2      PHE  27  11.458  13.057   6.185
  185    HE1  PHE  27           HE1      PHE  27  11.803   8.217   6.993
  186    HE2  PHE  27           HE2      PHE  27  13.447  12.139   7.306
  187    HZ   PHE  27           HZ       PHE  27  13.621   9.716   7.712
  188    H    ARG  28           H        ARG  28   6.906  11.406   2.984
  189    HA   ARG  28           HA       ARG  28   6.331   8.719   3.405
  190    HB2  ARG  28           HB2      ARG  28   4.834  10.796   2.724
  191    HB3  ARG  28           HB3      ARG  28   5.049  10.128   1.113
  192    HG2  ARG  28           HG2      ARG  28   4.011   8.545   3.449
  193    HG3  ARG  28           HG3      ARG  28   2.980   9.390   2.294
  194    HD2  ARG  28           HD2      ARG  28   3.051   7.572   1.016
  195    HD3  ARG  28           HD3      ARG  28   4.760   7.905   0.739
  196    HE   ARG  28           HE       ARG  28   5.281   6.142   2.096
  197   HH11  ARG  28          HH11      ARG  28   1.958   7.043   2.667
  198   HH12  ARG  28          HH12      ARG  28   1.636   5.687   3.695
  199   HH21  ARG  28          HH21      ARG  28   4.860   4.359   3.448
  200   HH22  ARG  28          HH22      ARG  28   3.284   4.164   4.139
  201    H    ALA  29           H        ALA  29   7.177  10.294   0.316
  202    HA   ALA  29           HA       ALA  29   7.468   7.774  -1.027
  203    HB1  ALA  29           HB1      ALA  29   7.699  10.631  -1.772
  204    HB2  ALA  29           HB2      ALA  29   6.824   9.318  -2.561
  205    HB3  ALA  29           HB3      ALA  29   8.570   9.462  -2.766
  206    H    LYS  30           H        LYS  30   9.581   9.993   0.627
  207    HA   LYS  30           HA       LYS  30  12.042   9.243  -0.459
  208    HB2  LYS  30           HB2      LYS  30  11.766  11.185   1.005
  209    HB3  LYS  30           HB3      LYS  30  11.411  10.126   2.363
  210    HG2  LYS  30           HG2      LYS  30  13.589  10.401   2.819
  211    HG3  LYS  30           HG3      LYS  30  13.806   9.148   1.595
  212    HD2  LYS  30           HD2      LYS  30  13.678  12.020   0.776
  213    HD3  LYS  30           HD3      LYS  30  15.173  11.365   1.450
  214    HE2  LYS  30           HE2      LYS  30  15.109   9.581  -0.269
  215    HE3  LYS  30           HE3      LYS  30  13.691  10.357  -0.975
  216    HZ1  LYS  30           HZ1      LYS  30  15.415  11.194  -2.230
  217    HZ2  LYS  30           HZ2      LYS  30  16.481  11.300  -0.920
  218    HZ3  LYS  30           HZ3      LYS  30  15.218  12.413  -1.074
  219    H    THR  31           H        THR  31   9.998   7.653   1.876
  220    HA   THR  31           HA       THR  31  12.062   5.593   2.272
  221    HB   THR  31           HB       THR  31  11.251   6.673   4.333
  222    HG1  THR  31           HG1      THR  31  10.801   4.756   5.423
  223   HG21  THR  31          HG21      THR  31   8.866   6.975   3.372
  224   HG22  THR  31          HG22      THR  31   9.081   6.647   5.091
  225   HG23  THR  31          HG23      THR  31   8.603   5.348   3.998
  226    H    THR  32           H        THR  32   8.828   6.200   1.137
  227    HA   THR  32           HA       THR  32   8.283   3.358   0.796
  228    HB   THR  32           HB       THR  32   6.580   5.763   0.119
  229    HG1  THR  32           HG1      THR  32   6.674   4.072   2.383
  230   HG21  THR  32          HG21      THR  32   5.658   4.059  -1.150
  231   HG22  THR  32          HG22      THR  32   4.736   3.998   0.351
  232   HG23  THR  32          HG23      THR  32   6.023   2.828   0.058
  233    HA   PRO  33           HA       PRO  33  10.093   3.867  -3.338
  234    HB2  PRO  33           HB2      PRO  33  10.178   1.210  -3.904
  235    HB3  PRO  33           HB3      PRO  33  11.399   2.027  -2.922
  236    HG2  PRO  33           HG2      PRO  33   9.050   0.391  -2.047
  237    HG3  PRO  33           HG3      PRO  33  10.712   0.381  -1.430
  238    HD2  PRO  33           HD2      PRO  33   8.706   1.676  -0.164
  239    HD3  PRO  33           HD3      PRO  33  10.380   2.266  -0.143
  240    H    GLU  34           H        GLU  34   7.090   2.604  -2.310
  241    HA   GLU  34           HA       GLU  34   6.084   1.762  -4.838
  242    HB2  GLU  34           HB2      GLU  34   5.215   1.706  -2.160
  243    HB3  GLU  34           HB3      GLU  34   3.999   2.614  -3.045
  244    HG2  GLU  34           HG2      GLU  34   3.252   0.424  -3.162
  245    HG3  GLU  34           HG3      GLU  34   4.041   0.679  -4.718
  246    H    CYS  35           H        CYS  35   6.798   4.810  -3.644
  247    HA   CYS  35           HA       CYS  35   4.676   6.167  -5.118
  248    HB2  CYS  35           HB2      CYS  35   6.907   7.508  -3.611
  249    HB3  CYS  35           HB3      CYS  35   5.308   8.137  -3.992
  250    H    GLY  36           H        GLY  36   6.763   4.636  -6.510
  251    HA2  GLY  36           HA2      GLY  36   8.383   6.713  -7.770
  252    HA3  GLY  36           HA3      GLY  36   8.577   4.984  -7.979
  253    HA   PRO  37           HA       PRO  37   6.030   5.144 -11.591
  254    HB2  PRO  37           HB2      PRO  37   4.058   3.343 -11.374
  255    HB3  PRO  37           HB3      PRO  37   5.759   2.861 -11.392
  256    HG2  PRO  37           HG2      PRO  37   3.882   3.107  -9.085
  257    HG3  PRO  37           HG3      PRO  37   5.135   1.895  -9.388
  258    HD2  PRO  37           HD2      PRO  37   5.407   4.083  -7.714
  259    HD3  PRO  37           HD3      PRO  37   6.752   3.167  -8.420
  260    H    THR  38           H        THR  38   3.662   5.035  -8.921
  261    HA   THR  38           HA       THR  38   1.982   6.918 -10.426
  262    HB   THR  38           HB       THR  38   0.566   5.176  -9.873
  263    HG1  THR  38           HG1      THR  38  -0.637   5.843  -8.002
  264   HG21  THR  38          HG21      THR  38   0.539   3.935  -7.797
  265   HG22  THR  38          HG22      THR  38   1.875   4.908  -7.183
  266   HG23  THR  38          HG23      THR  38   2.123   3.841  -8.566
  267    H    GLY  39           H        GLY  39   3.640   6.422  -7.376
  268    HA2  GLY  39           HA2      GLY  39   4.466   8.095  -5.967
  269    HA3  GLY  39           HA3      GLY  39   3.520   9.282  -6.857
  270    H    TYR  40           H        TYR  40   1.263   7.135  -6.477
  271    HA   TYR  40           HA       TYR  40   0.336   8.227  -3.925
  272    HB2  TYR  40           HB2      TYR  40  -1.091   7.011  -6.289
  273    HB3  TYR  40           HB3      TYR  40  -1.897   7.297  -4.755
  274    HD1  TYR  40           HD1      TYR  40   0.561   9.792  -5.457
  275    HD2  TYR  40           HD2      TYR  40  -3.445   8.637  -6.305
  276    HE1  TYR  40           HE1      TYR  40   0.056  12.090  -6.165
  277    HE2  TYR  40           HE2      TYR  40  -3.960  10.933  -7.015
  278    HH   TYR  40           HH       TYR  40  -2.809  13.365  -6.363
  279    H    VAL  41           H        VAL  41   0.027   6.911  -2.181
  280    HA   VAL  41           HA       VAL  41   0.355   4.016  -2.633
  281    HB   VAL  41           HB       VAL  41   1.279   3.852  -0.364
  282   HG11  VAL  41          HG11      VAL  41   2.614   5.584  -2.405
  283   HG12  VAL  41          HG12      VAL  41   2.936   3.902  -1.984
  284   HG13  VAL  41          HG13      VAL  41   3.424   5.195  -0.888
  285   HG21  VAL  41          HG21      VAL  41   1.163   6.866  -0.409
  286   HG22  VAL  41          HG22      VAL  41   1.988   5.895   0.811
  287   HG23  VAL  41          HG23      VAL  41   0.235   5.798   0.644
  288    H    GLU  42           H        GLU  42  -1.181   2.696  -1.968
  289    HA   GLU  42           HA       GLU  42  -3.446   3.800  -0.465
  290    HB2  GLU  42           HB2      GLU  42  -4.548   1.619  -1.282
  291    HB3  GLU  42           HB3      GLU  42  -4.231   2.871  -2.470
  292    HG2  GLU  42           HG2      GLU  42  -2.746   1.625  -3.587
  293    HG3  GLU  42           HG3      GLU  42  -2.069   0.930  -2.118
  294    H    LYS  43           H        LYS  43  -4.624   2.066   0.880
  295    HA   LYS  43           HA       LYS  43  -2.631   0.605   2.482
  296    HB2  LYS  43           HB2      LYS  43  -4.269   2.655   3.334
  297    HB3  LYS  43           HB3      LYS  43  -5.151   1.219   3.833
  298    HG2  LYS  43           HG2      LYS  43  -3.619   0.647   5.389
  299    HG3  LYS  43           HG3      LYS  43  -2.263   1.264   4.441
  300    HD2  LYS  43           HD2      LYS  43  -2.426   3.350   5.317
  301    HD3  LYS  43           HD3      LYS  43  -4.184   3.271   5.453
  302    HE2  LYS  43           HE2      LYS  43  -3.579   3.225   7.667
  303    HE3  LYS  43           HE3      LYS  43  -3.656   1.500   7.307
  304    HZ1  LYS  43           HZ1      LYS  43  -1.354   3.170   7.903
  305    HZ2  LYS  43           HZ2      LYS  43  -1.124   2.006   6.697
  306    HZ3  LYS  43           HZ3      LYS  43  -1.623   1.536   8.242
  307    H    ILE  44           H        ILE  44  -2.823  -1.377   1.528
  308    HA   ILE  44           HA       ILE  44  -5.486  -2.584   1.320
  309    HB   ILE  44           HB       ILE  44  -4.349  -4.381   0.055
  310   HG12  ILE  44          HG12      ILE  44  -1.907  -3.181  -0.632
  311   HG13  ILE  44          HG13      ILE  44  -1.999  -3.068   1.123
  312   HG21  ILE  44          HG21      ILE  44  -3.373  -2.086  -1.438
  313   HG22  ILE  44          HG22      ILE  44  -4.988  -1.834  -0.777
  314   HG23  ILE  44          HG23      ILE  44  -4.668  -3.219  -1.822
  315   HD11  ILE  44          HD11      ILE  44  -0.885  -5.084   0.584
  316   HD12  ILE  44          HD12      ILE  44  -2.140  -5.546  -0.566
  317   HD13  ILE  44          HD13      ILE  44  -2.494  -5.514   1.162
  318    H    THR  45           H        THR  45  -6.153  -4.207   2.602
  319    HA   THR  45           HA       THR  45  -4.287  -5.154   4.664
  320    HB   THR  45           HB       THR  45  -7.287  -5.434   4.721
  321    HG1  THR  45           HG1      THR  45  -7.313  -3.511   5.905
  322   HG21  THR  45          HG21      THR  45  -5.915  -6.749   6.342
  323   HG22  THR  45          HG22      THR  45  -7.067  -5.629   7.069
  324   HG23  THR  45          HG23      THR  45  -5.354  -5.216   7.008
  325    H    CYS  46           H        CYS  46  -3.838  -7.287   4.926
  326    HA   CYS  46           HA       CYS  46  -4.735  -9.068   2.805
  327    HB2  CYS  46           HB2      CYS  46  -2.584  -9.338   4.911
  328    HB3  CYS  46           HB3      CYS  46  -3.021 -10.634   3.812
  329    H    SER  47           H        SER  47  -6.408 -10.366   3.073
  330    HA   SER  47           HA       SER  47  -7.919 -10.670   5.355
  331    HB2  SER  47           HB2      SER  47  -8.840 -11.348   3.251
  332    HB3  SER  47           HB3      SER  47  -7.556 -12.529   2.999
  333    HG   SER  47           HG       SER  47  -8.591 -13.908   4.212
  334    H    SER  48           H        SER  48  -4.999 -12.286   4.412
  335    HA   SER  48           HA       SER  48  -5.212 -14.301   6.480
  336    HB2  SER  48           HB2      SER  48  -4.134 -15.167   4.600
  337    HB3  SER  48           HB3      SER  48  -3.228 -13.683   4.316
  338    HG   SER  48           HG       SER  48  -1.827 -14.217   5.893
  339    H    SER  49           H        SER  49  -5.053 -13.466   8.446
  340    HA   SER  49           HA       SER  49  -3.991 -12.768  10.345
  341    HB2  SER  49           HB2      SER  49  -1.769 -12.780   8.450
  342    HB3  SER  49           HB3      SER  49  -1.621 -11.496   9.645
  343    HG   SER  49           HG       SER  49  -1.532 -14.249   9.966
  344    H    LYS  50           H        LYS  50  -5.345 -11.031   8.066
  345    HA   LYS  50           HA       LYS  50  -5.848  -8.821   7.693
  346    HB2  LYS  50           HB2      LYS  50  -6.213  -9.461  10.536
  347    HB3  LYS  50           HB3      LYS  50  -6.095  -7.739  10.204
  348    HG2  LYS  50           HG2      LYS  50  -7.986  -9.576   8.761
  349    HG3  LYS  50           HG3      LYS  50  -8.414  -8.676  10.217
  350    HD2  LYS  50           HD2      LYS  50  -7.828  -6.578   9.042
  351    HD3  LYS  50           HD3      LYS  50  -7.523  -7.516   7.579
  352    HE2  LYS  50           HE2      LYS  50  -9.721  -6.622   7.401
  353    HE3  LYS  50           HE3      LYS  50  -9.880  -8.347   7.727
  354    HZ1  LYS  50           HZ1      LYS  50 -10.234  -7.788  10.083
  355    HZ2  LYS  50           HZ2      LYS  50 -11.424  -7.131   9.075
  356    HZ3  LYS  50           HZ3      LYS  50 -10.197  -6.143   9.690
  357    H    ARG  51           H        ARG  51  -3.634  -8.499   6.850
  358    HA   ARG  51           HA       ARG  51  -2.078  -6.708   8.586
  359    HB2  ARG  51           HB2      ARG  51  -1.290  -9.037   7.209
  360    HB3  ARG  51           HB3      ARG  51  -0.531  -7.692   6.381
  361    HG2  ARG  51           HG2      ARG  51   0.352  -6.921   8.574
  362    HG3  ARG  51           HG3      ARG  51  -0.295  -8.397   9.294
  363    HD2  ARG  51           HD2      ARG  51   1.155  -9.765   8.028
  364    HD3  ARG  51           HD3      ARG  51   1.596  -8.436   6.957
  365    HE   ARG  51           HE       ARG  51   2.432  -7.577   9.381
  366   HH11  ARG  51          HH11      ARG  51   2.955 -10.523   7.584
  367   HH12  ARG  51          HH12      ARG  51   4.524 -10.806   8.263
  368   HH21  ARG  51          HH21      ARG  51   4.494  -7.946  10.274
  369   HH22  ARG  51          HH22      ARG  51   5.398  -9.344   9.790
  370    H    ASN  52           H        ASN  52  -2.113  -4.668   8.023
  371    HA   ASN  52           HA       ASN  52  -2.983  -3.897   5.355
  372    HB2  ASN  52           HB2      ASN  52  -3.124  -1.626   6.277
  373    HB3  ASN  52           HB3      ASN  52  -3.996  -2.775   7.288
  374   HD21  ASN  52          HD21      ASN  52  -3.122  -3.370   9.293
  375   HD22  ASN  52          HD22      ASN  52  -1.935  -2.394  10.083
  376    H    GLU  53           H        GLU  53  -1.463  -3.843   3.843
  377    HA   GLU  53           HA       GLU  53   1.236  -2.950   4.549
  378    HB2  GLU  53           HB2      GLU  53   0.118  -4.808   2.590
  379    HB3  GLU  53           HB3      GLU  53   1.315  -3.725   1.899
  380    HG2  GLU  53           HG2      GLU  53   1.684  -5.597   4.223
  381    HG3  GLU  53           HG3      GLU  53   2.399  -5.730   2.617
  382    H    PHE  54           H        PHE  54   2.364  -1.564   2.953
  383    HA   PHE  54           HA       PHE  54   0.543   0.541   2.012
  384    HB2  PHE  54           HB2      PHE  54   3.356   0.532   3.020
  385    HB3  PHE  54           HB3      PHE  54   2.881   1.781   1.875
  386    HD1  PHE  54           HD1      PHE  54   0.665   3.048   2.468
  387    HD2  PHE  54           HD2      PHE  54   3.046   0.904   5.267
  388    HE1  PHE  54           HE1      PHE  54  -0.320   4.358   4.304
  389    HE2  PHE  54           HE2      PHE  54   2.065   2.208   7.108
  390    HZ   PHE  54           HZ       PHE  54   0.380   3.939   6.627
  391    H    LYS  55           H        LYS  55  -0.012  -0.108  -0.016
  392    HA   LYS  55           HA       LYS  55   2.165  -0.675  -1.910
  393    HB2  LYS  55           HB2      LYS  55  -0.232  -2.022  -1.435
  394    HB3  LYS  55           HB3      LYS  55  -0.511  -1.146  -2.935
  395    HG2  LYS  55           HG2      LYS  55   1.109  -2.312  -4.076
  396    HG3  LYS  55           HG3      LYS  55   2.007  -2.706  -2.611
  397    HD2  LYS  55           HD2      LYS  55   0.949  -4.699  -3.470
  398    HD3  LYS  55           HD3      LYS  55   0.184  -4.237  -1.949
  399    HE2  LYS  55           HE2      LYS  55  -1.444  -4.920  -3.672
  400    HE3  LYS  55           HE3      LYS  55  -1.676  -3.259  -3.132
  401    HZ1  LYS  55           HZ1      LYS  55  -0.089  -3.892  -5.545
  402    HZ2  LYS  55           HZ2      LYS  55  -0.801  -2.420  -5.108
  403    HZ3  LYS  55           HZ3      LYS  55  -1.770  -3.711  -5.616
  404    H    SER  56           H        SER  56   1.374  -0.030  -4.270
  405    HA   SER  56           HA       SER  56   0.448   2.767  -4.123
  406    HB2  SER  56           HB2      SER  56   1.975   3.365  -5.868
  407    HB3  SER  56           HB3      SER  56   2.900   2.455  -4.675
  408    HG   SER  56           HG       SER  56   2.524   0.589  -6.049
  409    H    CYS  57           H        CYS  57  -1.086   3.431  -5.584
  410    HA   CYS  57           HA       CYS  57  -1.939   1.433  -7.571
  411    HB2  CYS  57           HB2      CYS  57  -4.157   1.552  -6.992
  412    HB3  CYS  57           HB3      CYS  57  -3.420   1.782  -5.418
  413    H    ARG  58           H        ARG  58  -3.241   2.372  -9.361
  414    HA   ARG  58           HA       ARG  58  -1.849   4.469 -10.582
  415    HB2  ARG  58           HB2      ARG  58  -3.436   2.607 -11.556
  416    HB3  ARG  58           HB3      ARG  58  -4.659   3.857 -11.382
  417    HG2  ARG  58           HG2      ARG  58  -2.775   5.277 -12.636
  418    HG3  ARG  58           HG3      ARG  58  -2.385   3.671 -13.254
  419    HD2  ARG  58           HD2      ARG  58  -5.196   3.951 -13.360
  420    HD3  ARG  58           HD3      ARG  58  -4.502   5.432 -14.019
  421    HE   ARG  58           HE       ARG  58  -4.580   2.916 -15.284
  422   HH11  ARG  58          HH11      ARG  58  -2.445   5.634 -14.800
  423   HH12  ARG  58          HH12      ARG  58  -1.585   5.383 -16.282
  424   HH21  ARG  58          HH21      ARG  58  -3.449   2.583 -17.233
  425   HH22  ARG  58          HH22      ARG  58  -2.155   3.651 -17.664
  426    H    SER  59           H        SER  59  -2.319   6.622 -10.928
  427    HA   SER  59           HA       SER  59  -4.305   7.769  -9.083
  428    HB2  SER  59           HB2      SER  59  -1.940   9.193 -10.314
  429    HB3  SER  59           HB3      SER  59  -2.952   9.747  -8.981
  430    HG   SER  59           HG       SER  59  -1.284   7.451  -8.934
  431    H    ALA  60           H        ALA  60  -3.264   7.597 -12.393
  432    HA   ALA  60           HA       ALA  60  -4.524   9.825 -13.485
  433    HB1  ALA  60           HB1      ALA  60  -4.716   8.200 -15.547
  434    HB2  ALA  60           HB2      ALA  60  -3.686   7.176 -14.547
  435    HB3  ALA  60           HB3      ALA  60  -3.150   8.796 -14.994
  436    H    LEU  61           H        LEU  61  -5.911   6.954 -12.183
  437    HA   LEU  61           HA       LEU  61  -8.498   7.581 -13.429
  438    HB2  LEU  61           HB2      LEU  61  -7.221   5.078 -12.488
  439    HB3  LEU  61           HB3      LEU  61  -8.949   5.218 -12.223
  440    HG   LEU  61           HG       LEU  61  -8.900   5.905 -14.799
  441   HD11  LEU  61          HD11      LEU  61  -7.240   4.855 -16.063
  442   HD12  LEU  61          HD12      LEU  61  -6.682   3.891 -14.695
  443   HD13  LEU  61          HD13      LEU  61  -6.360   5.625 -14.742
  444   HD21  LEU  61          HD21      LEU  61 -10.271   4.143 -14.013
  445   HD22  LEU  61          HD22      LEU  61  -8.877   3.143 -13.608
  446   HD23  LEU  61          HD23      LEU  61  -9.275   3.460 -15.296
  447    H    MET  62           H        MET  62  -6.778   7.314 -10.421
  448    HA   MET  62           HA       MET  62  -9.005   7.308  -8.685
  449    HB2  MET  62           HB2      MET  62  -6.120   8.088  -8.328
  450    HB3  MET  62           HB3      MET  62  -7.282   8.222  -7.017
  451    HG2  MET  62           HG2      MET  62  -6.623   5.688  -8.499
  452    HG3  MET  62           HG3      MET  62  -5.976   6.148  -6.925
  453    HE1  MET  62           HE1      MET  62  -9.463   6.391  -4.942
  454    HE2  MET  62           HE2      MET  62  -9.033   7.633  -6.119
  455    HE3  MET  62           HE3      MET  62  -7.813   7.006  -5.009
  456    H    GLU  63           H        GLU  63  -6.916   9.922  -9.870
  457    HA   GLU  63           HA       GLU  63  -9.104  11.798  -9.678
  458    HB2  GLU  63           HB2      GLU  63  -7.623  11.599  -7.433
  459    HB3  GLU  63           HB3      GLU  63  -6.663  12.777  -8.316
  460    HG2  GLU  63           HG2      GLU  63  -9.174  13.770  -8.635
  461    HG3  GLU  63           HG3      GLU  63  -9.270  13.057  -7.026
  462    H    GLN  64           H        GLN  64  -8.849  11.990 -11.908
  463    HA   GLN  64           HA       GLN  64  -6.667  13.745 -12.709
  464    HB2  GLN  64           HB2      GLN  64  -6.387  11.079 -13.193
  465    HB3  GLN  64           HB3      GLN  64  -7.194  11.602 -14.665
  466    HG2  GLN  64           HG2      GLN  64  -5.424  13.374 -14.877
  467    HG3  GLN  64           HG3      GLN  64  -4.574  12.566 -13.561
  468   HE21  GLN  64          HE21      GLN  64  -2.816  12.074 -14.864
  469   HE22  GLN  64          HE22      GLN  64  -2.884  10.851 -16.083
  470    H    ARG  65           H        ARG  65  -7.196  15.138 -14.351
  471    HA   ARG  65           HA       ARG  65  -9.968  15.542 -14.857
  472    HB2  ARG  65           HB2      ARG  65  -8.383  17.409 -14.698
  473    HB3  ARG  65           HB3      ARG  65  -7.554  16.834 -16.139
  474    HG2  ARG  65           HG2      ARG  65 -10.443  17.318 -16.436
  475    HG3  ARG  65           HG3      ARG  65  -9.442  18.744 -16.153
  476    HD2  ARG  65           HD2      ARG  65  -8.439  16.811 -18.148
  477    HD3  ARG  65           HD3      ARG  65  -9.894  17.704 -18.590
  478    HE   ARG  65           HE       ARG  65  -7.833  19.402 -17.568
  479   HH11  ARG  65          HH11      ARG  65  -8.958  17.738 -20.422
  480   HH12  ARG  65          HH12      ARG  65  -8.180  18.830 -21.518
  481   HH21  ARG  65          HH21      ARG  65  -6.809  20.839 -19.008
  482   HH22  ARG  65          HH22      ARG  65  -6.959  20.591 -20.715
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  18.623   0.070  11.874
    2    H2   GLY   1           H2       GLY   1  17.425   0.704  10.860
    3    H3   GLY   1           H3       GLY   1  19.050   0.780  10.398
    4    HA2  GLY   1           HA2      GLY   1  18.952  -1.791  10.609
    5    HA3  GLY   1           HA3      GLY   1  17.226  -1.523  10.417
    6    H    SER   2           H        SER   2  20.160  -1.943   8.829
    7    HA   SER   2           HA       SER   2  18.865  -1.491   6.258
    8    HB2  SER   2           HB2      SER   2  21.010  -0.352   5.440
    9    HB3  SER   2           HB3      SER   2  19.942   0.608   6.464
   10    HG   SER   2           HG       SER   2  21.745   0.896   7.535
   11    H    GLY   3           H        GLY   3  19.054  -3.370   5.238
   12    HA2  GLY   3           HA2      GLY   3  20.944  -4.643   4.056
   13    HA3  GLY   3           HA3      GLY   3  21.476  -4.984   5.696
   14    H    MET   4           H        MET   4  18.670  -5.203   6.640
   15    HA   MET   4           HA       MET   4  18.322  -7.997   5.977
   16    HB2  MET   4           HB2      MET   4  17.978  -6.655   8.279
   17    HB3  MET   4           HB3      MET   4  16.330  -6.593   7.670
   18    HG2  MET   4           HG2      MET   4  16.122  -8.928   7.678
   19    HG3  MET   4           HG3      MET   4  17.861  -9.165   7.840
   20    HE1  MET   4           HE1      MET   4  18.684  -8.599  11.435
   21    HE2  MET   4           HE2      MET   4  18.618  -7.128  10.466
   22    HE3  MET   4           HE3      MET   4  19.220  -8.625   9.755
   23    H    LYS   5           H        LYS   5  17.273  -8.523   4.178
   24    HA   LYS   5           HA       LYS   5  15.372  -6.775   2.934
   25    HB2  LYS   5           HB2      LYS   5  17.007  -8.537   1.872
   26    HB3  LYS   5           HB3      LYS   5  15.677  -9.650   2.162
   27    HG2  LYS   5           HG2      LYS   5  14.212  -8.038   0.888
   28    HG3  LYS   5           HG3      LYS   5  15.696  -7.204   0.419
   29    HD2  LYS   5           HD2      LYS   5  15.548  -8.622  -1.348
   30    HD3  LYS   5           HD3      LYS   5  16.393  -9.699  -0.234
   31    HE2  LYS   5           HE2      LYS   5  13.399  -9.614  -0.317
   32    HE3  LYS   5           HE3      LYS   5  14.306 -10.574  -1.485
   33    HZ1  LYS   5           HZ1      LYS   5  13.905 -11.009   1.359
   34    HZ2  LYS   5           HZ2      LYS   5  15.453 -11.359   0.774
   35    HZ3  LYS   5           HZ3      LYS   5  14.103 -12.131   0.109
   36    H    GLU   6           H        GLU   6  13.164  -7.027   2.737
   37    HA   GLU   6           HA       GLU   6  11.853  -9.247   4.082
   38    HB2  GLU   6           HB2      GLU   6  10.400  -7.702   5.396
   39    HB3  GLU   6           HB3      GLU   6  12.081  -7.704   5.910
   40    HG2  GLU   6           HG2      GLU   6  12.472  -5.584   5.109
   41    HG3  GLU   6           HG3      GLU   6  11.151  -5.666   3.944
   42    H    PHE   7           H        PHE   7   9.675  -9.533   3.477
   43    HA   PHE   7           HA       PHE   7   8.883  -7.976   1.105
   44    HB2  PHE   7           HB2      PHE   7   7.413 -10.225   0.845
   45    HB3  PHE   7           HB3      PHE   7   9.013 -10.029   0.143
   46    HD1  PHE   7           HD1      PHE   7   7.382 -11.167   3.296
   47    HD2  PHE   7           HD2      PHE   7  10.598 -11.645   0.550
   48    HE1  PHE   7           HE1      PHE   7   8.165 -13.130   4.559
   49    HE2  PHE   7           HE2      PHE   7  11.386 -13.608   1.807
   50    HZ   PHE   7           HZ       PHE   7  10.169 -14.352   3.815
   51    HA   PRO   8           HA       PRO   8   5.063  -7.049   3.141
   52    HB2  PRO   8           HB2      PRO   8   3.383  -6.691   1.117
   53    HB3  PRO   8           HB3      PRO   8   4.831  -5.686   1.260
   54    HG2  PRO   8           HG2      PRO   8   4.329  -8.043  -0.511
   55    HG3  PRO   8           HG3      PRO   8   5.152  -6.521  -0.884
   56    HD2  PRO   8           HD2      PRO   8   6.415  -8.901  -0.208
   57    HD3  PRO   8           HD3      PRO   8   7.148  -7.291  -0.108
   58    H    CYS   9           H        CYS   9   2.481  -7.589   2.625
   59    HA   CYS   9           HA       CYS   9   2.335 -10.506   2.945
   60    HB2  CYS   9           HB2      CYS   9   0.344 -10.195   4.234
   61    HB3  CYS   9           HB3      CYS   9   1.539  -9.060   4.842
   62    H    TRP  10           H        TRP  10   1.187  -7.810   1.066
   63    HA   TRP  10           HA       TRP  10  -0.970  -9.141  -0.204
   64    HB2  TRP  10           HB2      TRP  10  -0.734  -7.285  -1.905
   65    HB3  TRP  10           HB3      TRP  10  -0.977  -6.765  -0.245
   66    HD1  TRP  10           HD1      TRP  10   1.028  -5.484   0.955
   67    HE1  TRP  10           HE1      TRP  10   3.144  -4.343   0.030
   68    HE3  TRP  10           HE3      TRP  10   1.047  -7.499  -3.733
   69    HZ2  TRP  10           HZ2      TRP  10   4.624  -4.304  -2.375
   70    HZ3  TRP  10           HZ3      TRP  10   2.843  -6.859  -5.292
   71    HH2  TRP  10           HH2      TRP  10   4.595  -5.294  -4.624
   72    H    LEU  11           H        LEU  11   2.427  -9.309  -0.589
   73    HA   LEU  11           HA       LEU  11   2.374 -10.173  -3.332
   74    HB2  LEU  11           HB2      LEU  11   4.473  -9.881  -1.230
   75    HB3  LEU  11           HB3      LEU  11   4.812 -10.865  -2.642
   76    HG   LEU  11           HG       LEU  11   3.985  -7.962  -2.715
   77   HD11  LEU  11          HD11      LEU  11   6.113  -7.443  -2.362
   78   HD12  LEU  11          HD12      LEU  11   6.585  -8.407  -3.761
   79   HD13  LEU  11          HD13      LEU  11   6.512  -9.149  -2.164
   80   HD21  LEU  11          HD21      LEU  11   4.763  -8.177  -5.100
   81   HD22  LEU  11          HD22      LEU  11   3.266  -9.024  -4.712
   82   HD23  LEU  11          HD23      LEU  11   4.776  -9.924  -4.859
   83    H    VAL  12           H        VAL  12   1.879 -11.652  -0.295
   84    HA   VAL  12           HA       VAL  12   2.001 -14.295  -1.580
   85    HB   VAL  12           HB       VAL  12   2.732 -15.278   0.571
   86   HG11  VAL  12          HG11      VAL  12   4.256 -14.231  -1.369
   87   HG12  VAL  12          HG12      VAL  12   4.921 -15.050   0.045
   88   HG13  VAL  12          HG13      VAL  12   4.841 -13.289   0.002
   89   HG21  VAL  12          HG21      VAL  12   2.292 -13.943   2.342
   90   HG22  VAL  12          HG22      VAL  12   2.519 -12.459   1.417
   91   HG23  VAL  12          HG23      VAL  12   3.920 -13.347   2.018
   92    H    GLU  13           H        GLU  13  -0.023 -12.082  -0.347
   93    HA   GLU  13           HA       GLU  13  -1.955 -14.128   0.455
   94    HB2  GLU  13           HB2      GLU  13  -1.421 -11.613   2.046
   95    HB3  GLU  13           HB3      GLU  13  -2.724 -12.752   2.350
   96    HG2  GLU  13           HG2      GLU  13  -1.400 -14.124   3.483
   97    HG3  GLU  13           HG3      GLU  13  -0.121 -14.032   2.279
   98    H    GLU  14           H        GLU  14  -4.203 -13.188   0.596
   99    HA   GLU  14           HA       GLU  14  -4.679 -11.611  -1.774
  100    HB2  GLU  14           HB2      GLU  14  -7.026 -12.074  -1.391
  101    HB3  GLU  14           HB3      GLU  14  -6.103 -13.555  -1.191
  102    HG2  GLU  14           HG2      GLU  14  -6.125 -12.988   1.312
  103    HG3  GLU  14           HG3      GLU  14  -7.423 -11.869   0.895
  104    H    PHE  15           H        PHE  15  -4.373  -9.478  -1.634
  105    HA   PHE  15           HA       PHE  15  -5.034  -8.091   0.842
  106    HB2  PHE  15           HB2      PHE  15  -3.706  -6.306   0.084
  107    HB3  PHE  15           HB3      PHE  15  -2.853  -7.745  -0.458
  108    HD1  PHE  15           HD1      PHE  15  -5.124  -5.043  -1.568
  109    HD2  PHE  15           HD2      PHE  15  -2.386  -8.087  -2.729
  110    HE1  PHE  15           HE1      PHE  15  -5.136  -4.170  -3.868
  111    HE2  PHE  15           HE2      PHE  15  -2.393  -7.220  -5.031
  112    HZ   PHE  15           HZ       PHE  15  -3.769  -5.258  -5.601
  113    H    VAL  16           H        VAL  16  -6.512  -6.440   1.011
  114    HA   VAL  16           HA       VAL  16  -8.322  -6.091  -1.289
  115    HB   VAL  16           HB       VAL  16 -10.119  -5.668   0.470
  116   HG11  VAL  16          HG11      VAL  16 -10.119  -7.657  -0.905
  117   HG12  VAL  16          HG12      VAL  16 -10.582  -8.076   0.745
  118   HG13  VAL  16          HG13      VAL  16  -8.954  -8.433   0.166
  119   HG21  VAL  16          HG21      VAL  16  -8.666  -7.419   2.344
  120   HG22  VAL  16          HG22      VAL  16  -9.776  -6.086   2.662
  121   HG23  VAL  16          HG23      VAL  16  -8.094  -5.754   2.248
  122    H    VAL  17           H        VAL  17  -8.241  -4.080  -2.035
  123    HA   VAL  17           HA       VAL  17  -6.967  -1.943  -0.764
  124    HB   VAL  17           HB       VAL  17  -9.119  -1.695  -2.868
  125   HG11  VAL  17          HG11      VAL  17  -8.702   0.476  -2.357
  126   HG12  VAL  17          HG12      VAL  17  -7.343   0.217  -3.452
  127   HG13  VAL  17          HG13      VAL  17  -7.098   0.130  -1.707
  128   HG21  VAL  17          HG21      VAL  17  -6.236  -2.483  -3.076
  129   HG22  VAL  17          HG22      VAL  17  -7.051  -1.666  -4.410
  130   HG23  VAL  17          HG23      VAL  17  -7.650  -3.220  -3.830
  131    H    ALA  18           H        ALA  18  -7.702  -1.574   1.306
  132    HA   ALA  18           HA       ALA  18 -10.523  -1.052   1.769
  133    HB1  ALA  18           HB1      ALA  18  -8.968  -2.297   3.373
  134    HB2  ALA  18           HB2      ALA  18 -10.030  -1.069   4.060
  135    HB3  ALA  18           HB3      ALA  18  -8.326  -0.708   3.787
  136    H    GLU  19           H        GLU  19  -7.558   0.676   1.286
  137    HA   GLU  19           HA       GLU  19  -9.030   3.207   1.402
  138    HB2  GLU  19           HB2      GLU  19  -6.258   2.881   2.554
  139    HB3  GLU  19           HB3      GLU  19  -7.280   4.307   2.627
  140    HG2  GLU  19           HG2      GLU  19  -8.814   2.331   3.803
  141    HG3  GLU  19           HG3      GLU  19  -7.178   2.002   4.372
  142    H    GLU  20           H        GLU  20  -8.850   4.129  -0.545
  143    HA   GLU  20           HA       GLU  20  -7.247   3.311  -2.622
  144    HB2  GLU  20           HB2      GLU  20  -7.499   5.818  -3.388
  145    HB3  GLU  20           HB3      GLU  20  -8.888   4.745  -3.345
  146    HG2  GLU  20           HG2      GLU  20  -8.366   6.228  -0.863
  147    HG3  GLU  20           HG3      GLU  20  -8.826   7.206  -2.254
  148    H    CYS  21           H        CYS  21  -5.520   4.707  -3.732
  149    HA   CYS  21           HA       CYS  21  -3.451   5.178  -1.737
  150    HB2  CYS  21           HB2      CYS  21  -1.861   4.994  -3.546
  151    HB3  CYS  21           HB3      CYS  21  -2.961   3.631  -3.591
  152    H    SER  22           H        SER  22  -2.264   7.058  -1.579
  153    HA   SER  22           HA       SER  22  -3.176   9.344  -3.178
  154    HB2  SER  22           HB2      SER  22  -2.774  10.601  -0.847
  155    HB3  SER  22           HB3      SER  22  -4.340   9.928  -1.296
  156    HG   SER  22           HG       SER  22  -2.555   9.118   0.642
  157    HA   PRO  23           HA       PRO  23   0.899  10.803  -3.854
  158    HB2  PRO  23           HB2      PRO  23   0.269  13.126  -2.078
  159    HB3  PRO  23           HB3      PRO  23   0.999  13.107  -3.689
  160    HG2  PRO  23           HG2      PRO  23  -1.557  13.765  -3.379
  161    HG3  PRO  23           HG3      PRO  23  -1.038  12.770  -4.752
  162    HD2  PRO  23           HD2      PRO  23  -2.500  11.980  -2.283
  163    HD3  PRO  23           HD3      PRO  23  -2.602  11.307  -3.921
  164    H    CYS  24           H        CYS  24   2.956  11.065  -2.901
  165    HA   CYS  24           HA       CYS  24   3.087  10.218  -0.083
  166    HB2  CYS  24           HB2      CYS  24   5.209   9.849  -2.199
  167    HB3  CYS  24           HB3      CYS  24   5.173   9.131  -0.598
  168    H    SER  25           H        SER  25   3.615  11.835   1.227
  169    HA   SER  25           HA       SER  25   4.633  14.310   0.470
  170    HB2  SER  25           HB2      SER  25   5.324  13.372   3.197
  171    HB3  SER  25           HB3      SER  25   4.510  14.850   2.683
  172    HG   SER  25           HG       SER  25   3.387  12.752   3.720
  173    H    ASN  26           H        ASN  26   6.763  14.944   2.068
  174    HA   ASN  26           HA       ASN  26   8.961  14.261   0.499
  175    HB2  ASN  26           HB2      ASN  26   8.759  15.389   3.287
  176    HB3  ASN  26           HB3      ASN  26  10.308  15.147   2.486
  177   HD21  ASN  26          HD21      ASN  26  10.973  16.567   0.975
  178   HD22  ASN  26          HD22      ASN  26  10.083  17.969   0.498
  179    H    PHE  27           H        PHE  27   8.212  13.131   3.801
  180    HA   PHE  27           HA       PHE  27  10.309  11.243   3.895
  181    HB2  PHE  27           HB2      PHE  27   7.972  11.939   5.547
  182    HB3  PHE  27           HB3      PHE  27   8.488  10.260   5.676
  183    HD1  PHE  27           HD1      PHE  27  11.169  10.034   5.863
  184    HD2  PHE  27           HD2      PHE  27   8.855  13.396   7.069
  185    HE1  PHE  27           HE1      PHE  27  12.956  10.702   7.415
  186    HE2  PHE  27           HE2      PHE  27  10.639  14.070   8.624
  187    HZ   PHE  27           HZ       PHE  27  12.693  12.723   8.799
  188    H    ARG  28           H        ARG  28   6.910  10.988   2.966
  189    HA   ARG  28           HA       ARG  28   6.770   8.199   2.736
  190    HB2  ARG  28           HB2      ARG  28   5.283  10.227   1.067
  191    HB3  ARG  28           HB3      ARG  28   4.807   8.561   1.363
  192    HG2  ARG  28           HG2      ARG  28   5.189   9.997   3.836
  193    HG3  ARG  28           HG3      ARG  28   4.026  10.807   2.786
  194    HD2  ARG  28           HD2      ARG  28   2.489   9.194   3.046
  195    HD3  ARG  28           HD3      ARG  28   3.686   7.905   2.918
  196    HE   ARG  28           HE       ARG  28   4.157   8.930   5.372
  197   HH11  ARG  28          HH11      ARG  28   1.259   7.805   3.785
  198   HH12  ARG  28          HH12      ARG  28   0.505   7.288   5.255
  199   HH21  ARG  28          HH21      ARG  28   3.167   8.250   7.306
  200   HH22  ARG  28          HH22      ARG  28   1.588   7.540   7.254
  201    H    ALA  29           H        ALA  29   7.299  10.618   0.167
  202    HA   ALA  29           HA       ALA  29   7.747   8.830  -1.915
  203    HB1  ALA  29           HB1      ALA  29   7.393  11.308  -2.098
  204    HB2  ALA  29           HB2      ALA  29   8.662  10.652  -3.132
  205    HB3  ALA  29           HB3      ALA  29   9.086  11.511  -1.651
  206    H    LYS  30           H        LYS  30   9.791   9.643   0.739
  207    HA   LYS  30           HA       LYS  30  12.198   8.695  -0.586
  208    HB2  LYS  30           HB2      LYS  30  11.569  10.105   1.938
  209    HB3  LYS  30           HB3      LYS  30  12.961   9.031   1.983
  210    HG2  LYS  30           HG2      LYS  30  13.600  11.323   1.453
  211    HG3  LYS  30           HG3      LYS  30  13.971  10.222   0.125
  212    HD2  LYS  30           HD2      LYS  30  11.613  10.943  -0.743
  213    HD3  LYS  30           HD3      LYS  30  11.866  12.335   0.312
  214    HE2  LYS  30           HE2      LYS  30  13.906  11.463  -1.716
  215    HE3  LYS  30           HE3      LYS  30  12.592  12.567  -2.120
  216    HZ1  LYS  30           HZ1      LYS  30  14.762  12.990  -0.144
  217    HZ2  LYS  30           HZ2      LYS  30  13.398  13.987  -0.246
  218    HZ3  LYS  30           HZ3      LYS  30  14.464  13.873  -1.555
  219    H    THR  31           H        THR  31  10.574   7.864   2.484
  220    HA   THR  31           HA       THR  31  11.888   5.361   2.708
  221    HB   THR  31           HB       THR  31  10.158   4.932   4.496
  222    HG1  THR  31           HG1      THR  31   8.430   6.103   3.895
  223   HG21  THR  31          HG21      THR  31  10.843   6.865   5.954
  224   HG22  THR  31          HG22      THR  31  11.751   7.471   4.569
  225   HG23  THR  31          HG23      THR  31  12.154   5.904   5.269
  226    H    THR  32           H        THR  32   8.518   6.189   1.895
  227    HA   THR  32           HA       THR  32   7.711   3.544   1.346
  228    HB   THR  32           HB       THR  32   6.474   5.972   0.074
  229    HG1  THR  32           HG1      THR  32   6.326   5.132   2.770
  230   HG21  THR  32          HG21      THR  32   5.569   3.248   0.762
  231   HG22  THR  32          HG22      THR  32   5.130   4.289  -0.593
  232   HG23  THR  32          HG23      THR  32   4.422   4.566   0.999
  233    HA   PRO  33           HA       PRO  33   9.914   3.340  -2.606
  234    HB2  PRO  33           HB2      PRO  33   9.183   0.521  -2.595
  235    HB3  PRO  33           HB3      PRO  33  10.785   1.251  -2.483
  236    HG2  PRO  33           HG2      PRO  33   9.603  -0.051  -0.414
  237    HG3  PRO  33           HG3      PRO  33  10.750   1.279  -0.196
  238    HD2  PRO  33           HD2      PRO  33   7.762   1.316  -0.046
  239    HD3  PRO  33           HD3      PRO  33   8.953   2.131   0.990
  240    H    GLU  34           H        GLU  34   6.687   2.452  -1.783
  241    HA   GLU  34           HA       GLU  34   5.879   1.871  -4.497
  242    HB2  GLU  34           HB2      GLU  34   4.784   1.512  -1.856
  243    HB3  GLU  34           HB3      GLU  34   3.596   2.283  -2.895
  244    HG2  GLU  34           HG2      GLU  34   3.121   0.097  -3.295
  245    HG3  GLU  34           HG3      GLU  34   4.304   0.390  -4.569
  246    H    CYS  35           H        CYS  35   7.017   4.335  -4.505
  247    HA   CYS  35           HA       CYS  35   4.737   6.051  -5.134
  248    HB2  CYS  35           HB2      CYS  35   7.129   6.987  -3.540
  249    HB3  CYS  35           HB3      CYS  35   5.769   7.976  -4.054
  250    H    GLY  36           H        GLY  36   6.962   4.459  -6.523
  251    HA2  GLY  36           HA2      GLY  36   8.422   6.582  -7.877
  252    HA3  GLY  36           HA3      GLY  36   8.693   4.861  -8.056
  253    HA   PRO  37           HA       PRO  37   6.044   4.806 -11.599
  254    HB2  PRO  37           HB2      PRO  37   4.053   3.041 -11.246
  255    HB3  PRO  37           HB3      PRO  37   5.747   2.543 -11.296
  256    HG2  PRO  37           HG2      PRO  37   3.939   2.882  -8.952
  257    HG3  PRO  37           HG3      PRO  37   5.200   1.673  -9.234
  258    HD2  PRO  37           HD2      PRO  37   5.476   3.947  -7.666
  259    HD3  PRO  37           HD3      PRO  37   6.814   2.997  -8.340
  260    H    THR  38           H        THR  38   3.670   4.821  -8.923
  261    HA   THR  38           HA       THR  38   2.027   6.676 -10.502
  262    HB   THR  38           HB       THR  38   0.644   4.895  -9.909
  263    HG1  THR  38           HG1      THR  38  -0.824   5.960  -8.862
  264   HG21  THR  38          HG21      THR  38   1.817   4.903  -7.143
  265   HG22  THR  38          HG22      THR  38   2.127   3.707  -8.404
  266   HG23  THR  38          HG23      THR  38   0.511   3.864  -7.715
  267    H    GLY  39           H        GLY  39   3.686   6.285  -7.443
  268    HA2  GLY  39           HA2      GLY  39   4.462   7.973  -6.038
  269    HA3  GLY  39           HA3      GLY  39   3.588   9.149  -7.011
  270    H    TYR  40           H        TYR  40   1.427   6.784  -6.446
  271    HA   TYR  40           HA       TYR  40   0.364   8.105  -4.042
  272    HB2  TYR  40           HB2      TYR  40  -1.014   6.773  -6.378
  273    HB3  TYR  40           HB3      TYR  40  -1.851   7.175  -4.886
  274    HD1  TYR  40           HD1      TYR  40   0.620   9.050  -6.982
  275    HD2  TYR  40           HD2      TYR  40  -3.268   8.954  -5.256
  276    HE1  TYR  40           HE1      TYR  40   0.190  11.312  -7.840
  277    HE2  TYR  40           HE2      TYR  40  -3.707  11.217  -6.110
  278    HH   TYR  40           HH       TYR  40  -2.910  12.704  -7.884
  279    H    VAL  41           H        VAL  41  -0.023   6.851  -2.256
  280    HA   VAL  41           HA       VAL  41   0.310   3.944  -2.598
  281    HB   VAL  41           HB       VAL  41   1.238   3.834  -0.343
  282   HG11  VAL  41          HG11      VAL  41   2.897   3.906  -1.968
  283   HG12  VAL  41          HG12      VAL  41   3.367   5.189  -0.854
  284   HG13  VAL  41          HG13      VAL  41   2.564   5.590  -2.372
  285   HG21  VAL  41          HG21      VAL  41   0.501   6.690  -0.336
  286   HG22  VAL  41          HG22      VAL  41   2.050   6.290   0.407
  287   HG23  VAL  41          HG23      VAL  41   0.570   5.532   0.993
  288    H    GLU  42           H        GLU  42  -1.255   2.672  -1.936
  289    HA   GLU  42           HA       GLU  42  -3.510   3.825  -0.454
  290    HB2  GLU  42           HB2      GLU  42  -4.628   1.633  -1.244
  291    HB3  GLU  42           HB3      GLU  42  -4.324   2.884  -2.436
  292    HG2  GLU  42           HG2      GLU  42  -2.879   1.621  -3.576
  293    HG3  GLU  42           HG3      GLU  42  -2.143   0.971  -2.116
  294    H    LYS  43           H        LYS  43  -4.730   2.017   0.834
  295    HA   LYS  43           HA       LYS  43  -2.751   0.614   2.503
  296    HB2  LYS  43           HB2      LYS  43  -4.461   2.640   3.295
  297    HB3  LYS  43           HB3      LYS  43  -5.302   1.182   3.803
  298    HG2  LYS  43           HG2      LYS  43  -3.658   0.587   5.296
  299    HG3  LYS  43           HG3      LYS  43  -2.410   1.505   4.450
  300    HD2  LYS  43           HD2      LYS  43  -2.736   2.906   6.214
  301    HD3  LYS  43           HD3      LYS  43  -3.990   3.531   5.142
  302    HE2  LYS  43           HE2      LYS  43  -5.034   3.272   7.232
  303    HE3  LYS  43           HE3      LYS  43  -5.565   1.892   6.272
  304    HZ1  LYS  43           HZ1      LYS  43  -3.410   0.866   7.427
  305    HZ2  LYS  43           HZ2      LYS  43  -4.953   0.781   8.117
  306    HZ3  LYS  43           HZ3      LYS  43  -3.863   1.968   8.627
  307    H    ILE  44           H        ILE  44  -2.891  -1.374   1.540
  308    HA   ILE  44           HA       ILE  44  -5.535  -2.618   1.292
  309    HB   ILE  44           HB       ILE  44  -4.243  -4.434   0.092
  310   HG12  ILE  44          HG12      ILE  44  -2.056  -2.354   0.006
  311   HG13  ILE  44          HG13      ILE  44  -2.030  -3.733   1.100
  312   HG21  ILE  44          HG21      ILE  44  -5.431  -3.083  -1.337
  313   HG22  ILE  44          HG22      ILE  44  -3.786  -2.832  -1.920
  314   HG23  ILE  44          HG23      ILE  44  -4.544  -1.630  -0.873
  315   HD11  ILE  44          HD11      ILE  44  -2.073  -5.243  -0.822
  316   HD12  ILE  44          HD12      ILE  44  -0.680  -4.163  -0.855
  317   HD13  ILE  44          HD13      ILE  44  -2.062  -3.851  -1.904
  318    H    THR  45           H        THR  45  -6.184  -4.275   2.543
  319    HA   THR  45           HA       THR  45  -4.341  -5.187   4.638
  320    HB   THR  45           HB       THR  45  -7.302  -5.686   4.643
  321    HG1  THR  45           HG1      THR  45  -7.308  -3.529   4.431
  322   HG21  THR  45          HG21      THR  45  -5.312  -5.244   6.855
  323   HG22  THR  45          HG22      THR  45  -6.037  -6.781   6.387
  324   HG23  THR  45          HG23      THR  45  -7.043  -5.502   7.066
  325    H    CYS  46           H        CYS  46  -3.921  -7.335   4.988
  326    HA   CYS  46           HA       CYS  46  -4.662  -9.134   2.800
  327    HB2  CYS  46           HB2      CYS  46  -2.504  -9.302   4.910
  328    HB3  CYS  46           HB3      CYS  46  -2.858 -10.598   3.784
  329    H    SER  47           H        SER  47  -6.173 -10.603   3.048
  330    HA   SER  47           HA       SER  47  -7.742 -10.987   5.273
  331    HB2  SER  47           HB2      SER  47  -8.422 -11.801   3.090
  332    HB3  SER  47           HB3      SER  47  -7.074 -12.937   3.060
  333    HG   SER  47           HG       SER  47  -9.392 -13.552   3.825
  334    H    SER  48           H        SER  48  -4.647 -12.361   4.499
  335    HA   SER  48           HA       SER  48  -4.763 -14.336   6.605
  336    HB2  SER  48           HB2      SER  48  -2.276 -13.535   5.114
  337    HB3  SER  48           HB3      SER  48  -2.678 -15.097   5.826
  338    HG   SER  48           HG       SER  48  -3.843 -13.907   3.530
  339    H    SER  49           H        SER  49  -4.821 -13.449   8.556
  340    HA   SER  49           HA       SER  49  -3.983 -12.592  10.499
  341    HB2  SER  49           HB2      SER  49  -1.626 -12.591   8.791
  342    HB3  SER  49           HB3      SER  49  -1.627 -11.221   9.897
  343    HG   SER  49           HG       SER  49  -1.810 -13.975  10.536
  344    H    LYS  50           H        LYS  50  -5.289 -11.029   8.100
  345    HA   LYS  50           HA       LYS  50  -5.855  -8.859   7.583
  346    HB2  LYS  50           HB2      LYS  50  -6.332  -9.365  10.442
  347    HB3  LYS  50           HB3      LYS  50  -6.291  -7.662  10.005
  348    HG2  LYS  50           HG2      LYS  50  -7.993  -9.671   8.560
  349    HG3  LYS  50           HG3      LYS  50  -8.552  -8.775   9.974
  350    HD2  LYS  50           HD2      LYS  50  -8.110  -6.665   8.796
  351    HD3  LYS  50           HD3      LYS  50  -7.581  -7.575   7.380
  352    HE2  LYS  50           HE2      LYS  50  -9.833  -6.912   6.993
  353    HE3  LYS  50           HE3      LYS  50  -9.848  -8.641   7.332
  354    HZ1  LYS  50           HZ1      LYS  50 -10.213  -7.676   9.773
  355    HZ2  LYS  50           HZ2      LYS  50 -11.492  -8.030   8.723
  356    HZ3  LYS  50           HZ3      LYS  50 -10.942  -6.438   8.881
  357    H    ARG  51           H        ARG  51  -3.603  -8.514   6.850
  358    HA   ARG  51           HA       ARG  51  -2.169  -6.633   8.589
  359    HB2  ARG  51           HB2      ARG  51  -1.284  -8.945   7.262
  360    HB3  ARG  51           HB3      ARG  51  -0.558  -7.596   6.412
  361    HG2  ARG  51           HG2      ARG  51   0.307  -6.753   8.567
  362    HG3  ARG  51           HG3      ARG  51  -0.351  -8.190   9.354
  363    HD2  ARG  51           HD2      ARG  51   1.604  -8.309   7.068
  364    HD3  ARG  51           HD3      ARG  51   2.100  -8.284   8.760
  365    HE   ARG  51           HE       ARG  51   0.209 -10.331   8.371
  366   HH11  ARG  51          HH11      ARG  51   3.517  -9.537   7.588
  367   HH12  ARG  51          HH12      ARG  51   4.026 -11.190   7.508
  368   HH21  ARG  51          HH21      ARG  51   0.878 -12.505   8.267
  369   HH22  ARG  51          HH22      ARG  51   2.528 -12.875   7.893
  370    H    ASN  52           H        ASN  52  -2.285  -4.603   8.029
  371    HA   ASN  52           HA       ASN  52  -3.090  -3.854   5.338
  372    HB2  ASN  52           HB2      ASN  52  -3.267  -1.566   6.293
  373    HB3  ASN  52           HB3      ASN  52  -4.233  -2.750   7.169
  374   HD21  ASN  52          HD21      ASN  52  -3.665  -3.319   9.246
  375   HD22  ASN  52          HD22      ASN  52  -2.510  -2.429  10.174
  376    H    GLU  53           H        GLU  53  -1.486  -3.813   3.897
  377    HA   GLU  53           HA       GLU  53   1.131  -2.768   4.700
  378    HB2  GLU  53           HB2      GLU  53   0.203  -4.757   2.779
  379    HB3  GLU  53           HB3      GLU  53   1.355  -3.631   2.075
  380    HG2  GLU  53           HG2      GLU  53   1.761  -5.378   4.489
  381    HG3  GLU  53           HG3      GLU  53   2.536  -5.532   2.913
  382    H    PHE  54           H        PHE  54   2.278  -1.407   3.075
  383    HA   PHE  54           HA       PHE  54   0.432   0.630   2.056
  384    HB2  PHE  54           HB2      PHE  54   3.232   0.660   3.060
  385    HB3  PHE  54           HB3      PHE  54   2.819   1.820   1.801
  386    HD1  PHE  54           HD1      PHE  54   0.815   0.539   4.665
  387    HD2  PHE  54           HD2      PHE  54   2.696   3.884   2.825
  388    HE1  PHE  54           HE1      PHE  54  -0.171   2.024   6.362
  389    HE2  PHE  54           HE2      PHE  54   1.714   5.374   4.519
  390    HZ   PHE  54           HZ       PHE  54   0.278   4.444   6.291
  391    H    LYS  55           H        LYS  55  -0.173  -0.094   0.068
  392    HA   LYS  55           HA       LYS  55   1.935  -0.804  -1.849
  393    HB2  LYS  55           HB2      LYS  55  -0.693  -1.809  -1.339
  394    HB3  LYS  55           HB3      LYS  55  -0.650  -1.166  -2.975
  395    HG2  LYS  55           HG2      LYS  55   1.556  -2.540  -3.157
  396    HG3  LYS  55           HG3      LYS  55   0.891  -3.424  -1.783
  397    HD2  LYS  55           HD2      LYS  55  -0.278  -4.638  -3.238
  398    HD3  LYS  55           HD3      LYS  55  -1.227  -3.191  -3.583
  399    HE2  LYS  55           HE2      LYS  55   1.153  -2.934  -5.048
  400    HE3  LYS  55           HE3      LYS  55   0.627  -4.600  -5.263
  401    HZ1  LYS  55           HZ1      LYS  55  -1.664  -3.451  -5.678
  402    HZ2  LYS  55           HZ2      LYS  55  -0.522  -3.565  -6.921
  403    HZ3  LYS  55           HZ3      LYS  55  -0.703  -2.115  -6.068
  404    H    SER  56           H        SER  56   1.172  -0.167  -4.213
  405    HA   SER  56           HA       SER  56   0.424   2.686  -4.142
  406    HB2  SER  56           HB2      SER  56   2.021   3.194  -5.793
  407    HB3  SER  56           HB3      SER  56   2.870   2.077  -4.727
  408    HG   SER  56           HG       SER  56   2.773   0.537  -6.226
  409    H    CYS  57           H        CYS  57  -1.106   3.385  -5.578
  410    HA   CYS  57           HA       CYS  57  -2.014   1.465  -7.609
  411    HB2  CYS  57           HB2      CYS  57  -4.218   1.492  -6.962
  412    HB3  CYS  57           HB3      CYS  57  -3.440   1.637  -5.399
  413    H    ARG  58           H        ARG  58  -3.690   2.622  -9.110
  414    HA   ARG  58           HA       ARG  58  -2.365   5.064 -10.002
  415    HB2  ARG  58           HB2      ARG  58  -2.892   3.071 -11.524
  416    HB3  ARG  58           HB3      ARG  58  -4.565   3.601 -11.445
  417    HG2  ARG  58           HG2      ARG  58  -3.045   5.878 -12.080
  418    HG3  ARG  58           HG3      ARG  58  -2.435   4.566 -13.090
  419    HD2  ARG  58           HD2      ARG  58  -5.038   4.130 -13.411
  420    HD3  ARG  58           HD3      ARG  58  -5.109   5.853 -13.045
  421    HE   ARG  58           HE       ARG  58  -4.360   6.237 -15.154
  422   HH11  ARG  58          HH11      ARG  58  -3.275   3.063 -14.193
  423   HH12  ARG  58          HH12      ARG  58  -2.534   2.717 -15.719
  424   HH21  ARG  58          HH21      ARG  58  -3.386   5.785 -17.162
  425   HH22  ARG  58          HH22      ARG  58  -2.595   4.262 -17.405
  426    H    SER  59           H        SER  59  -3.173   7.003  -9.595
  427    HA   SER  59           HA       SER  59  -5.770   7.274  -8.373
  428    HB2  SER  59           HB2      SER  59  -3.350   8.750  -8.367
  429    HB3  SER  59           HB3      SER  59  -4.600   9.816  -9.007
  430    HG   SER  59           HG       SER  59  -4.954   8.295  -6.647
  431    H    ALA  60           H        ALA  60  -4.356   7.759 -11.507
  432    HA   ALA  60           HA       ALA  60  -6.191   9.550 -12.623
  433    HB1  ALA  60           HB1      ALA  60  -4.248   7.586 -13.670
  434    HB2  ALA  60           HB2      ALA  60  -4.441   9.300 -14.034
  435    HB3  ALA  60           HB3      ALA  60  -5.514   8.115 -14.776
  436    H    LEU  61           H        LEU  61  -6.593   6.263 -11.712
  437    HA   LEU  61           HA       LEU  61  -9.069   6.085 -13.292
  438    HB2  LEU  61           HB2      LEU  61  -7.062   4.316 -13.314
  439    HB3  LEU  61           HB3      LEU  61  -7.954   3.690 -11.940
  440    HG   LEU  61           HG       LEU  61  -9.470   4.235 -14.443
  441   HD11  LEU  61          HD11      LEU  61  -7.521   3.109 -15.308
  442   HD12  LEU  61          HD12      LEU  61  -8.888   1.994 -15.295
  443   HD13  LEU  61          HD13      LEU  61  -7.639   1.873 -14.056
  444   HD21  LEU  61          HD21      LEU  61  -9.614   2.356 -12.121
  445   HD22  LEU  61          HD22      LEU  61 -10.465   1.991 -13.622
  446   HD23  LEU  61          HD23      LEU  61 -10.835   3.470 -12.735
  447    H    MET  62           H        MET  62  -7.690   5.976 -10.094
  448    HA   MET  62           HA       MET  62  -9.956   4.946  -8.747
  449    HB2  MET  62           HB2      MET  62  -7.519   6.468  -7.887
  450    HB3  MET  62           HB3      MET  62  -8.824   6.174  -6.748
  451    HG2  MET  62           HG2      MET  62  -7.281   4.067  -8.243
  452    HG3  MET  62           HG3      MET  62  -7.065   4.508  -6.550
  453    HE1  MET  62           HE1      MET  62  -7.495   1.931  -8.112
  454    HE2  MET  62           HE2      MET  62  -9.153   1.636  -8.636
  455    HE3  MET  62           HE3      MET  62  -8.565   0.930  -7.131
  456    H    GLU  63           H        GLU  63  -8.690   8.279  -8.864
  457    HA   GLU  63           HA       GLU  63 -11.444   9.271  -8.862
  458    HB2  GLU  63           HB2      GLU  63  -9.294  10.060  -6.897
  459    HB3  GLU  63           HB3      GLU  63 -10.727  11.039  -7.190
  460    HG2  GLU  63           HG2      GLU  63 -11.299   8.232  -6.609
  461    HG3  GLU  63           HG3      GLU  63 -10.500   9.096  -5.296
  462    H    GLN  64           H        GLN  64 -11.165   9.882 -11.012
  463    HA   GLN  64           HA       GLN  64  -9.485  12.262 -11.374
  464    HB2  GLN  64           HB2      GLN  64  -8.669   9.928 -12.404
  465    HB3  GLN  64           HB3      GLN  64  -9.759  10.422 -13.693
  466    HG2  GLN  64           HG2      GLN  64  -7.932  12.520 -12.787
  467    HG3  GLN  64           HG3      GLN  64  -7.141  11.116 -13.501
  468   HE21  GLN  64          HE21      GLN  64  -8.197  10.363 -15.588
  469   HE22  GLN  64          HE22      GLN  64  -8.626  11.599 -16.716
  470    H    ARG  65           H        ARG  65 -11.512  13.370 -11.044
  471    HA   ARG  65           HA       ARG  65 -13.670  12.982 -12.900
  472    HB2  ARG  65           HB2      ARG  65 -13.882  13.822 -10.508
  473    HB3  ARG  65           HB3      ARG  65 -13.256  15.359 -11.090
  474    HG2  ARG  65           HG2      ARG  65 -15.151  15.442 -12.703
  475    HG3  ARG  65           HG3      ARG  65 -15.805  13.997 -11.929
  476    HD2  ARG  65           HD2      ARG  65 -15.755  15.271  -9.760
  477    HD3  ARG  65           HD3      ARG  65 -15.371  16.712 -10.700
  478    HE   ARG  65           HE       ARG  65 -17.719  15.355 -11.628
  479   HH11  ARG  65          HH11      ARG  65 -16.501  17.655  -9.302
  480   HH12  ARG  65          HH12      ARG  65 -18.028  18.448  -9.101
  481   HH21  ARG  65          HH21      ARG  65 -19.727  16.398 -11.365
  482   HH22  ARG  65          HH22      ARG  65 -19.859  17.735 -10.272
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  26.908 -11.650   4.663
    2    H2   GLY   1           H2       GLY   1  25.920 -10.298   4.422
    3    H3   GLY   1           H3       GLY   1  27.462 -10.350   3.730
    4    HA2  GLY   1           HA2      GLY   1  26.402 -11.009   1.889
    5    HA3  GLY   1           HA3      GLY   1  26.408 -12.570   2.696
    6    H    SER   2           H        SER   2  24.499  -9.611   2.297
    7    HA   SER   2           HA       SER   2  22.256  -9.246   2.224
    8    HB2  SER   2           HB2      SER   2  22.176 -10.798   0.401
    9    HB3  SER   2           HB3      SER   2  22.294 -12.178   1.493
   10    HG   SER   2           HG       SER   2  20.180 -12.088   1.177
   11    H    GLY   3           H        GLY   3  21.430  -8.701   4.140
   12    HA2  GLY   3           HA2      GLY   3  21.542 -10.238   6.477
   13    HA3  GLY   3           HA3      GLY   3  20.461  -8.878   6.211
   14    H    MET   4           H        MET   4  18.521  -9.415   4.784
   15    HA   MET   4           HA       MET   4  17.610 -12.106   4.662
   16    HB2  MET   4           HB2      MET   4  15.702 -11.798   6.275
   17    HB3  MET   4           HB3      MET   4  17.289 -11.946   7.019
   18    HG2  MET   4           HG2      MET   4  17.331  -9.760   7.697
   19    HG3  MET   4           HG3      MET   4  16.229  -9.231   6.427
   20    HE1  MET   4           HE1      MET   4  15.574  -7.957   9.219
   21    HE2  MET   4           HE2      MET   4  13.833  -8.235   9.153
   22    HE3  MET   4           HE3      MET   4  14.717  -7.824   7.684
   23    H    LYS   5           H        LYS   5  16.134 -12.247   3.092
   24    HA   LYS   5           HA       LYS   5  15.315  -9.964   1.649
   25    HB2  LYS   5           HB2      LYS   5  15.501 -12.561   1.024
   26    HB3  LYS   5           HB3      LYS   5  13.777 -12.491   1.360
   27    HG2  LYS   5           HG2      LYS   5  13.326 -11.250  -0.473
   28    HG3  LYS   5           HG3      LYS   5  14.860 -10.383  -0.399
   29    HD2  LYS   5           HD2      LYS   5  15.922 -11.892  -1.700
   30    HD3  LYS   5           HD3      LYS   5  15.060 -13.260  -0.993
   31    HE2  LYS   5           HE2      LYS   5  13.416 -13.191  -2.541
   32    HE3  LYS   5           HE3      LYS   5  13.432 -11.430  -2.630
   33    HZ1  LYS   5           HZ1      LYS   5  14.283 -12.913  -4.604
   34    HZ2  LYS   5           HZ2      LYS   5  15.728 -12.875  -3.723
   35    HZ3  LYS   5           HZ3      LYS   5  15.014 -11.432  -4.241
   36    H    GLU   6           H        GLU   6  13.726  -8.585   2.048
   37    HA   GLU   6           HA       GLU   6  11.603  -9.382   3.915
   38    HB2  GLU   6           HB2      GLU   6  12.952  -6.804   3.295
   39    HB3  GLU   6           HB3      GLU   6  11.259  -6.740   3.765
   40    HG2  GLU   6           HG2      GLU   6  13.389  -8.118   5.379
   41    HG3  GLU   6           HG3      GLU   6  12.891  -6.444   5.629
   42    H    PHE   7           H        PHE   7   9.538  -9.501   3.275
   43    HA   PHE   7           HA       PHE   7   8.777  -8.282   0.716
   44    HB2  PHE   7           HB2      PHE   7   7.286 -10.529   0.609
   45    HB3  PHE   7           HB3      PHE   7   8.860 -10.375  -0.162
   46    HD1  PHE   7           HD1      PHE   7   7.002 -11.842   2.622
   47    HD2  PHE   7           HD2      PHE   7  10.796 -11.509   0.727
   48    HE1  PHE   7           HE1      PHE   7   7.821 -13.755   3.935
   49    HE2  PHE   7           HE2      PHE   7  11.623 -13.421   2.036
   50    HZ   PHE   7           HZ       PHE   7  10.135 -14.547   3.643
   51    HA   PRO   8           HA       PRO   8   5.049  -7.241   2.860
   52    HB2  PRO   8           HB2      PRO   8   3.293  -6.953   0.887
   53    HB3  PRO   8           HB3      PRO   8   4.751  -5.952   0.937
   54    HG2  PRO   8           HG2      PRO   8   4.170  -8.374  -0.720
   55    HG3  PRO   8           HG3      PRO   8   4.988  -6.873  -1.183
   56    HD2  PRO   8           HD2      PRO   8   6.260  -9.235  -0.461
   57    HD3  PRO   8           HD3      PRO   8   7.007  -7.627  -0.451
   58    H    CYS   9           H        CYS   9   2.444  -7.779   2.463
   59    HA   CYS   9           HA       CYS   9   2.287 -10.678   2.913
   60    HB2  CYS   9           HB2      CYS   9   0.327 -10.283   4.242
   61    HB3  CYS   9           HB3      CYS   9   1.569  -9.164   4.778
   62    H    TRP  10           H        TRP  10   1.073  -8.050   0.977
   63    HA   TRP  10           HA       TRP  10  -1.137  -9.408  -0.158
   64    HB2  TRP  10           HB2      TRP  10  -0.889  -7.640  -1.980
   65    HB3  TRP  10           HB3      TRP  10  -1.166  -7.059  -0.347
   66    HD1  TRP  10           HD1      TRP  10   0.862  -5.777   0.866
   67    HE1  TRP  10           HE1      TRP  10   2.957  -4.621  -0.083
   68    HE3  TRP  10           HE3      TRP  10   0.845  -7.804  -3.816
   69    HZ2  TRP  10           HZ2      TRP  10   4.411  -4.577  -2.505
   70    HZ3  TRP  10           HZ3      TRP  10   2.620  -7.154  -5.395
   71    HH2  TRP  10           HH2      TRP  10   4.365  -5.572  -4.750
   72    H    LEU  11           H        LEU  11   2.260  -9.511  -0.753
   73    HA   LEU  11           HA       LEU  11   2.088 -10.536  -3.416
   74    HB2  LEU  11           HB2      LEU  11   4.270 -10.236  -1.395
   75    HB3  LEU  11           HB3      LEU  11   4.534 -11.233  -2.815
   76    HG   LEU  11           HG       LEU  11   3.758  -8.316  -2.862
   77   HD11  LEU  11          HD11      LEU  11   6.276  -9.534  -2.410
   78   HD12  LEU  11          HD12      LEU  11   5.912  -7.827  -2.655
   79   HD13  LEU  11          HD13      LEU  11   6.296  -8.852  -4.037
   80   HD21  LEU  11          HD21      LEU  11   4.534  -8.647  -5.301
   81   HD22  LEU  11          HD22      LEU  11   2.926  -9.207  -4.841
   82   HD23  LEU  11          HD23      LEU  11   4.251 -10.361  -4.995
   83    H    VAL  12           H        VAL  12   1.629 -11.892  -0.326
   84    HA   VAL  12           HA       VAL  12   1.679 -14.583  -1.510
   85    HB   VAL  12           HB       VAL  12   2.453 -15.499   0.657
   86   HG11  VAL  12          HG11      VAL  12   4.829 -14.391   0.456
   87   HG12  VAL  12          HG12      VAL  12   4.126 -13.670  -0.993
   88   HG13  VAL  12          HG13      VAL  12   4.197 -15.425  -0.826
   89   HG21  VAL  12          HG21      VAL  12   2.083 -14.079   2.380
   90   HG22  VAL  12          HG22      VAL  12   2.335 -12.641   1.393
   91   HG23  VAL  12          HG23      VAL  12   3.721 -13.550   1.996
   92    H    GLU  13           H        GLU  13  -0.270 -12.289  -0.312
   93    HA   GLU  13           HA       GLU  13  -2.215 -14.263   0.625
   94    HB2  GLU  13           HB2      GLU  13  -1.579 -11.700   2.100
   95    HB3  GLU  13           HB3      GLU  13  -2.902 -12.790   2.483
   96    HG2  GLU  13           HG2      GLU  13  -1.585 -14.158   3.630
   97    HG3  GLU  13           HG3      GLU  13  -0.334 -14.139   2.395
   98    H    GLU  14           H        GLU  14  -4.443 -13.324   0.734
   99    HA   GLU  14           HA       GLU  14  -4.975 -11.870  -1.678
  100    HB2  GLU  14           HB2      GLU  14  -7.315 -12.178  -1.136
  101    HB3  GLU  14           HB3      GLU  14  -6.452 -13.682  -0.855
  102    HG2  GLU  14           HG2      GLU  14  -6.306 -12.882   1.589
  103    HG3  GLU  14           HG3      GLU  14  -7.596 -11.771   1.133
  104    H    PHE  15           H        PHE  15  -4.500  -9.758  -1.711
  105    HA   PHE  15           HA       PHE  15  -5.012  -8.137   0.654
  106    HB2  PHE  15           HB2      PHE  15  -3.486  -6.615  -0.154
  107    HB3  PHE  15           HB3      PHE  15  -2.867  -8.100  -0.864
  108    HD1  PHE  15           HD1      PHE  15  -4.717  -8.460  -3.139
  109    HD2  PHE  15           HD2      PHE  15  -2.844  -4.955  -1.621
  110    HE1  PHE  15           HE1      PHE  15  -4.840  -7.432  -5.370
  111    HE2  PHE  15           HE2      PHE  15  -2.967  -3.919  -3.847
  112    HZ   PHE  15           HZ       PHE  15  -3.967  -5.157  -5.723
  113    H    VAL  16           H        VAL  16  -6.262  -6.265   0.649
  114    HA   VAL  16           HA       VAL  16  -8.052  -5.890  -1.641
  115    HB   VAL  16           HB       VAL  16  -9.931  -5.503   0.032
  116   HG11  VAL  16          HG11      VAL  16  -8.784  -8.073  -0.848
  117   HG12  VAL  16          HG12      VAL  16 -10.387  -7.389  -1.122
  118   HG13  VAL  16          HG13      VAL  16 -10.010  -8.166   0.416
  119   HG21  VAL  16          HG21      VAL  16  -9.768  -6.572   2.188
  120   HG22  VAL  16          HG22      VAL  16  -8.465  -5.395   2.023
  121   HG23  VAL  16          HG23      VAL  16  -8.129  -7.116   1.833
  122    H    VAL  17           H        VAL  17  -8.143  -3.816  -2.226
  123    HA   VAL  17           HA       VAL  17  -6.746  -1.792  -0.879
  124    HB   VAL  17           HB       VAL  17  -8.976  -1.371  -2.869
  125   HG11  VAL  17          HG11      VAL  17  -8.513   0.759  -2.257
  126   HG12  VAL  17          HG12      VAL  17  -7.169   0.551  -3.379
  127   HG13  VAL  17          HG13      VAL  17  -6.910   0.348  -1.646
  128   HG21  VAL  17          HG21      VAL  17  -6.240  -2.424  -3.194
  129   HG22  VAL  17          HG22      VAL  17  -6.734  -1.184  -4.346
  130   HG23  VAL  17          HG23      VAL  17  -7.677  -2.666  -4.188
  131    H    ALA  18           H        ALA  18  -7.392  -1.567   1.243
  132    HA   ALA  18           HA       ALA  18 -10.164  -1.105   1.911
  133    HB1  ALA  18           HB1      ALA  18  -9.050  -0.570   4.205
  134    HB2  ALA  18           HB2      ALA  18  -7.615  -1.276   3.464
  135    HB3  ALA  18           HB3      ALA  18  -9.088  -2.233   3.618
  136    H    GLU  19           H        GLU  19  -7.301   0.754   1.276
  137    HA   GLU  19           HA       GLU  19  -8.878   3.214   1.445
  138    HB2  GLU  19           HB2      GLU  19  -6.074   3.004   2.549
  139    HB3  GLU  19           HB3      GLU  19  -7.141   4.398   2.621
  140    HG2  GLU  19           HG2      GLU  19  -8.598   2.398   3.842
  141    HG3  GLU  19           HG3      GLU  19  -6.946   2.108   4.384
  142    H    GLU  20           H        GLU  20  -8.771   4.185  -0.473
  143    HA   GLU  20           HA       GLU  20  -7.228   3.437  -2.618
  144    HB2  GLU  20           HB2      GLU  20  -8.282   6.200  -2.000
  145    HB3  GLU  20           HB3      GLU  20  -7.722   5.666  -3.578
  146    HG2  GLU  20           HG2      GLU  20  -9.990   4.368  -2.094
  147    HG3  GLU  20           HG3      GLU  20 -10.202   5.673  -3.261
  148    H    CYS  21           H        CYS  21  -5.443   4.566  -3.715
  149    HA   CYS  21           HA       CYS  21  -3.381   5.193  -1.785
  150    HB2  CYS  21           HB2      CYS  21  -1.817   4.995  -3.613
  151    HB3  CYS  21           HB3      CYS  21  -2.911   3.626  -3.632
  152    H    SER  22           H        SER  22  -2.218   7.073  -1.654
  153    HA   SER  22           HA       SER  22  -3.134   9.341  -3.276
  154    HB2  SER  22           HB2      SER  22  -3.257   9.052  -0.319
  155    HB3  SER  22           HB3      SER  22  -2.773  10.624  -0.954
  156    HG   SER  22           HG       SER  22  -5.218   9.581  -0.801
  157    HA   PRO  23           HA       PRO  23   0.955  10.801  -3.886
  158    HB2  PRO  23           HB2      PRO  23   0.297  13.154  -2.161
  159    HB3  PRO  23           HB3      PRO  23   1.042  13.107  -3.764
  160    HG2  PRO  23           HG2      PRO  23  -1.517  13.772  -3.489
  161    HG3  PRO  23           HG3      PRO  23  -0.984  12.755  -4.842
  162    HD2  PRO  23           HD2      PRO  23  -2.464  12.001  -2.371
  163    HD3  PRO  23           HD3      PRO  23  -2.562  11.311  -4.002
  164    H    CYS  24           H        CYS  24   2.992  11.119  -2.880
  165    HA   CYS  24           HA       CYS  24   3.055  10.276  -0.060
  166    HB2  CYS  24           HB2      CYS  24   5.245   9.945  -2.114
  167    HB3  CYS  24           HB3      CYS  24   5.173   9.229  -0.509
  168    H    SER  25           H        SER  25   3.758  11.716   1.365
  169    HA   SER  25           HA       SER  25   4.604  14.296   0.688
  170    HB2  SER  25           HB2      SER  25   4.855  14.680   2.993
  171    HB3  SER  25           HB3      SER  25   3.628  13.417   2.914
  172    HG   SER  25           HG       SER  25   5.610  13.229   4.391
  173    H    ASN  26           H        ASN  26   6.767  15.080   1.968
  174    HA   ASN  26           HA       ASN  26   8.899  14.328   0.325
  175    HB2  ASN  26           HB2      ASN  26   8.702  15.862   2.896
  176    HB3  ASN  26           HB3      ASN  26  10.283  15.470   2.226
  177   HD21  ASN  26          HD21      ASN  26   9.060  18.063   2.599
  178   HD22  ASN  26          HD22      ASN  26   8.982  18.798   1.037
  179    H    PHE  27           H        PHE  27   7.814  13.083   3.399
  180    HA   PHE  27           HA       PHE  27  10.185  11.384   3.629
  181    HB2  PHE  27           HB2      PHE  27   8.037  12.261   5.500
  182    HB3  PHE  27           HB3      PHE  27   8.804  10.704   5.800
  183    HD1  PHE  27           HD1      PHE  27  11.499  10.861   5.520
  184    HD2  PHE  27           HD2      PHE  27   8.898  14.032   6.655
  185    HE1  PHE  27           HE1      PHE  27  13.377  12.001   6.627
  186    HE2  PHE  27           HE2      PHE  27  10.771  15.179   7.763
  187    HZ   PHE  27           HZ       PHE  27  13.015  14.162   7.750
  188    H    ARG  28           H        ARG  28   6.761  11.251   2.959
  189    HA   ARG  28           HA       ARG  28   6.446   8.446   3.227
  190    HB2  ARG  28           HB2      ARG  28   4.705  10.464   2.964
  191    HB3  ARG  28           HB3      ARG  28   4.747   9.924   1.291
  192    HG2  ARG  28           HG2      ARG  28   4.335   7.576   2.281
  193    HG3  ARG  28           HG3      ARG  28   3.826   8.455   3.725
  194    HD2  ARG  28           HD2      ARG  28   2.663   8.639   0.953
  195    HD3  ARG  28           HD3      ARG  28   1.885   8.012   2.405
  196    HE   ARG  28           HE       ARG  28   2.043  10.736   1.592
  197   HH11  ARG  28          HH11      ARG  28   1.963   8.667   4.401
  198   HH12  ARG  28          HH12      ARG  28   1.291   9.885   5.433
  199   HH21  ARG  28          HH21      ARG  28   1.160  12.339   2.948
  200   HH22  ARG  28          HH22      ARG  28   0.835  11.968   4.609
  201    H    ALA  29           H        ALA  29   7.215  10.549   0.493
  202    HA   ALA  29           HA       ALA  29   7.230   8.417  -1.419
  203    HB1  ALA  29           HB1      ALA  29   8.712  10.890  -2.040
  204    HB2  ALA  29           HB2      ALA  29   7.002  11.083  -1.656
  205    HB3  ALA  29           HB3      ALA  29   7.495  10.027  -2.979
  206    H    LYS  30           H        LYS  30   9.591   9.917   0.666
  207    HA   LYS  30           HA       LYS  30  11.841   8.698  -0.678
  208    HB2  LYS  30           HB2      LYS  30  11.638  10.934   0.801
  209    HB3  LYS  30           HB3      LYS  30  12.157   9.813   2.051
  210    HG2  LYS  30           HG2      LYS  30  14.206  10.417   1.368
  211    HG3  LYS  30           HG3      LYS  30  13.924   9.207   0.115
  212    HD2  LYS  30           HD2      LYS  30  12.888  11.905  -0.464
  213    HD3  LYS  30           HD3      LYS  30  14.645  11.764  -0.384
  214    HE2  LYS  30           HE2      LYS  30  14.657  10.076  -2.074
  215    HE3  LYS  30           HE3      LYS  30  12.898   9.951  -2.037
  216    HZ1  LYS  30           HZ1      LYS  30  13.621  11.229  -3.937
  217    HZ2  LYS  30           HZ2      LYS  30  14.459  12.311  -2.941
  218    HZ3  LYS  30           HZ3      LYS  30  12.770  12.228  -2.869
  219    H    THR  31           H        THR  31   9.745   7.996   2.007
  220    HA   THR  31           HA       THR  31  11.486   5.895   3.012
  221    HB   THR  31           HB       THR  31   8.721   6.730   3.906
  222    HG1  THR  31           HG1      THR  31  10.491   8.283   4.154
  223   HG21  THR  31          HG21      THR  31   9.461   5.645   6.062
  224   HG22  THR  31          HG22      THR  31  10.730   4.865   5.118
  225   HG23  THR  31          HG23      THR  31   9.034   4.560   4.737
  226    H    THR  32           H        THR  32   8.167   6.127   1.729
  227    HA   THR  32           HA       THR  32   7.958   3.275   1.444
  228    HB   THR  32           HB       THR  32   6.156   5.478   0.422
  229    HG1  THR  32           HG1      THR  32   6.278   5.449   2.678
  230   HG21  THR  32          HG21      THR  32   5.981   2.555   0.243
  231   HG22  THR  32          HG22      THR  32   5.218   3.807  -0.736
  232   HG23  THR  32          HG23      THR  32   4.532   3.372   0.829
  233    HA   PRO  33           HA       PRO  33   9.880   3.328  -2.608
  234    HB2  PRO  33           HB2      PRO  33   9.846   0.677  -3.048
  235    HB3  PRO  33           HB3      PRO  33  10.964   1.422  -1.900
  236    HG2  PRO  33           HG2      PRO  33   8.385  -0.003  -1.379
  237    HG3  PRO  33           HG3      PRO  33   9.922  -0.118  -0.503
  238    HD2  PRO  33           HD2      PRO  33   7.805   1.393   0.342
  239    HD3  PRO  33           HD3      PRO  33   9.495   1.762   0.737
  240    H    GLU  34           H        GLU  34   6.686   2.673  -1.835
  241    HA   GLU  34           HA       GLU  34   5.923   1.834  -4.520
  242    HB2  GLU  34           HB2      GLU  34   4.780   1.607  -1.878
  243    HB3  GLU  34           HB3      GLU  34   3.612   2.305  -2.990
  244    HG2  GLU  34           HG2      GLU  34   3.192   0.057  -3.194
  245    HG3  GLU  34           HG3      GLU  34   4.290   0.348  -4.542
  246    H    CYS  35           H        CYS  35   7.077   4.445  -4.173
  247    HA   CYS  35           HA       CYS  35   4.796   6.100  -5.017
  248    HB2  CYS  35           HB2      CYS  35   7.212   7.050  -3.466
  249    HB3  CYS  35           HB3      CYS  35   5.851   8.040  -3.988
  250    H    GLY  36           H        GLY  36   7.306   4.518  -6.200
  251    HA2  GLY  36           HA2      GLY  36   8.687   6.569  -7.656
  252    HA3  GLY  36           HA3      GLY  36   8.844   4.837  -7.890
  253    HA   PRO  37           HA       PRO  37   6.133   4.997 -11.362
  254    HB2  PRO  37           HB2      PRO  37   4.014   3.363 -10.935
  255    HB3  PRO  37           HB3      PRO  37   5.658   2.767 -11.172
  256    HG2  PRO  37           HG2      PRO  37   4.082   3.030  -8.665
  257    HG3  PRO  37           HG3      PRO  37   5.284   1.816  -9.119
  258    HD2  PRO  37           HD2      PRO  37   5.734   3.981  -7.443
  259    HD3  PRO  37           HD3      PRO  37   6.991   3.040  -8.267
  260    H    THR  38           H        THR  38   3.230   4.506  -9.430
  261    HA   THR  38           HA       THR  38   1.924   6.714 -10.647
  262    HB   THR  38           HB       THR  38   0.604   4.816  -9.996
  263    HG1  THR  38           HG1      THR  38   0.007   6.894  -8.172
  264   HG21  THR  38          HG21      THR  38   0.872   3.653  -8.144
  265   HG22  THR  38          HG22      THR  38   0.557   5.076  -7.152
  266   HG23  THR  38          HG23      THR  38   2.197   4.732  -7.704
  267    H    GLY  39           H        GLY  39   3.635   6.256  -7.635
  268    HA2  GLY  39           HA2      GLY  39   4.470   7.909  -6.221
  269    HA3  GLY  39           HA3      GLY  39   3.595   9.114  -7.157
  270    H    TYR  40           H        TYR  40   1.399   6.792  -6.583
  271    HA   TYR  40           HA       TYR  40   0.397   8.109  -4.152
  272    HB2  TYR  40           HB2      TYR  40  -1.013   6.769  -6.463
  273    HB3  TYR  40           HB3      TYR  40  -1.829   7.154  -4.956
  274    HD1  TYR  40           HD1      TYR  40   0.611   9.089  -7.031
  275    HD2  TYR  40           HD2      TYR  40  -3.290   8.899  -5.341
  276    HE1  TYR  40           HE1      TYR  40   0.146  11.351  -7.869
  277    HE2  TYR  40           HE2      TYR  40  -3.766  11.162  -6.177
  278    HH   TYR  40           HH       TYR  40  -2.525  13.176  -6.851
  279    H    VAL  41           H        VAL  41   0.037   6.868  -2.352
  280    HA   VAL  41           HA       VAL  41   0.376   3.958  -2.676
  281    HB   VAL  41           HB       VAL  41   1.323   3.872  -0.425
  282   HG11  VAL  41          HG11      VAL  41   2.651   5.675  -2.426
  283   HG12  VAL  41          HG12      VAL  41   2.927   3.957  -2.141
  284   HG13  VAL  41          HG13      VAL  41   3.457   5.145  -0.951
  285   HG21  VAL  41          HG21      VAL  41   0.331   5.728   0.666
  286   HG22  VAL  41          HG22      VAL  41   0.974   6.860  -0.523
  287   HG23  VAL  41          HG23      VAL  41   2.062   6.056   0.607
  288    H    GLU  42           H        GLU  42  -1.189   2.693  -2.011
  289    HA   GLU  42           HA       GLU  42  -3.435   3.843  -0.515
  290    HB2  GLU  42           HB2      GLU  42  -4.534   1.621  -1.271
  291    HB3  GLU  42           HB3      GLU  42  -4.270   2.874  -2.470
  292    HG2  GLU  42           HG2      GLU  42  -2.809   1.641  -3.627
  293    HG3  GLU  42           HG3      GLU  42  -2.056   0.991  -2.176
  294    H    LYS  43           H        LYS  43  -4.626   2.070   0.830
  295    HA   LYS  43           HA       LYS  43  -2.614   0.711   2.497
  296    HB2  LYS  43           HB2      LYS  43  -4.254   2.727   3.311
  297    HB3  LYS  43           HB3      LYS  43  -5.225   1.320   3.721
  298    HG2  LYS  43           HG2      LYS  43  -3.529   0.461   5.145
  299    HG3  LYS  43           HG3      LYS  43  -2.364   1.660   4.578
  300    HD2  LYS  43           HD2      LYS  43  -3.202   3.289   5.903
  301    HD3  LYS  43           HD3      LYS  43  -4.866   2.737   5.706
  302    HE2  LYS  43           HE2      LYS  43  -2.801   1.358   7.414
  303    HE3  LYS  43           HE3      LYS  43  -3.990   2.509   8.024
  304    HZ1  LYS  43           HZ1      LYS  43  -4.392  -0.112   7.965
  305    HZ2  LYS  43           HZ2      LYS  43  -5.038   0.297   6.455
  306    HZ3  LYS  43           HZ3      LYS  43  -5.649   1.014   7.860
  307    H    ILE  44           H        ILE  44  -2.754  -1.239   1.385
  308    HA   ILE  44           HA       ILE  44  -5.343  -2.559   1.174
  309    HB   ILE  44           HB       ILE  44  -4.132  -4.333  -0.015
  310   HG12  ILE  44          HG12      ILE  44  -1.680  -3.655  -0.644
  311   HG13  ILE  44          HG13      ILE  44  -1.750  -2.728   0.850
  312   HG21  ILE  44          HG21      ILE  44  -4.796  -2.920  -1.634
  313   HG22  ILE  44          HG22      ILE  44  -3.069  -2.589  -1.779
  314   HG23  ILE  44          HG23      ILE  44  -4.097  -1.510  -0.836
  315   HD11  ILE  44          HD11      ILE  44  -2.698  -5.434   1.216
  316   HD12  ILE  44          HD12      ILE  44  -1.451  -4.543   2.085
  317   HD13  ILE  44          HD13      ILE  44  -1.053  -5.378   0.586
  318    H    THR  45           H        THR  45  -5.949  -4.372   2.297
  319    HA   THR  45           HA       THR  45  -4.202  -5.136   4.544
  320    HB   THR  45           HB       THR  45  -7.201  -5.455   4.420
  321    HG1  THR  45           HG1      THR  45  -7.415  -3.487   5.143
  322   HG21  THR  45          HG21      THR  45  -6.947  -5.406   6.917
  323   HG22  THR  45          HG22      THR  45  -5.213  -5.598   6.663
  324   HG23  THR  45          HG23      THR  45  -6.328  -6.847   6.110
  325    H    CYS  46           H        CYS  46  -3.975  -7.316   5.082
  326    HA   CYS  46           HA       CYS  46  -4.685  -9.171   2.913
  327    HB2  CYS  46           HB2      CYS  46  -2.481  -9.270   4.978
  328    HB3  CYS  46           HB3      CYS  46  -2.875 -10.615   3.923
  329    H    SER  47           H        SER  47  -6.248 -10.567   3.260
  330    HA   SER  47           HA       SER  47  -7.731 -10.848   5.561
  331    HB2  SER  47           HB2      SER  47  -8.542 -11.676   3.431
  332    HB3  SER  47           HB3      SER  47  -7.238 -12.858   3.356
  333    HG   SER  47           HG       SER  47  -8.939 -13.979   4.129
  334    H    SER  48           H        SER  48  -4.722 -12.343   4.681
  335    HA   SER  48           HA       SER  48  -4.818 -14.261   6.846
  336    HB2  SER  48           HB2      SER  48  -3.572 -14.309   4.429
  337    HB3  SER  48           HB3      SER  48  -2.246 -13.791   5.472
  338    HG   SER  48           HG       SER  48  -2.577 -15.630   6.732
  339    H    SER  49           H        SER  49  -4.717 -13.325   8.767
  340    HA   SER  49           HA       SER  49  -3.709 -12.479  10.634
  341    HB2  SER  49           HB2      SER  49  -1.473 -12.525   8.762
  342    HB3  SER  49           HB3      SER  49  -1.379 -11.160   9.868
  343    HG   SER  49           HG       SER  49  -1.197 -13.880  10.374
  344    H    LYS  50           H        LYS  50  -5.122 -10.917   8.275
  345    HA   LYS  50           HA       LYS  50  -5.677  -8.741   7.769
  346    HB2  LYS  50           HB2      LYS  50  -6.045  -9.234  10.644
  347    HB3  LYS  50           HB3      LYS  50  -5.984  -7.531  10.211
  348    HG2  LYS  50           HG2      LYS  50  -7.781  -9.478   8.802
  349    HG3  LYS  50           HG3      LYS  50  -8.268  -8.625  10.269
  350    HD2  LYS  50           HD2      LYS  50  -7.683  -6.482   9.072
  351    HD3  LYS  50           HD3      LYS  50  -7.523  -7.443   7.600
  352    HE2  LYS  50           HE2      LYS  50  -9.718  -6.546   7.593
  353    HE3  LYS  50           HE3      LYS  50  -9.870  -8.254   8.006
  354    HZ1  LYS  50           HZ1      LYS  50  -9.670  -7.195  10.428
  355    HZ2  LYS  50           HZ2      LYS  50 -11.150  -7.418   9.640
  356    HZ3  LYS  50           HZ3      LYS  50 -10.405  -5.901   9.625
  357    H    ARG  51           H        ARG  51  -3.457  -8.428   6.936
  358    HA   ARG  51           HA       ARG  51  -1.919  -6.562   8.604
  359    HB2  ARG  51           HB2      ARG  51  -1.127  -8.881   7.231
  360    HB3  ARG  51           HB3      ARG  51  -0.432  -7.539   6.348
  361    HG2  ARG  51           HG2      ARG  51   0.556  -6.709   8.452
  362    HG3  ARG  51           HG3      ARG  51  -0.083  -8.134   9.275
  363    HD2  ARG  51           HD2      ARG  51   1.769  -8.267   6.903
  364    HD3  ARG  51           HD3      ARG  51   2.327  -8.286   8.576
  365    HE   ARG  51           HE       ARG  51   1.121 -10.449   7.128
  366   HH11  ARG  51          HH11      ARG  51   1.642  -9.097  10.304
  367   HH12  ARG  51          HH12      ARG  51   1.468 -10.617  11.116
  368   HH21  ARG  51          HH21      ARG  51   0.893 -12.448   8.195
  369   HH22  ARG  51          HH22      ARG  51   1.044 -12.519   9.920
  370    H    ASN  52           H        ASN  52  -2.051  -4.529   8.052
  371    HA   ASN  52           HA       ASN  52  -2.948  -3.783   5.386
  372    HB2  ASN  52           HB2      ASN  52  -3.140  -1.503   6.334
  373    HB3  ASN  52           HB3      ASN  52  -4.045  -2.693   7.266
  374   HD21  ASN  52          HD21      ASN  52  -3.231  -3.365   9.284
  375   HD22  ASN  52          HD22      ASN  52  -2.112  -2.388  10.165
  376    H    GLU  53           H        GLU  53  -1.354  -3.781   3.921
  377    HA   GLU  53           HA       GLU  53   1.258  -2.682   4.663
  378    HB2  GLU  53           HB2      GLU  53   0.339  -4.732   2.812
  379    HB3  GLU  53           HB3      GLU  53   1.449  -3.604   2.052
  380    HG2  GLU  53           HG2      GLU  53   1.943  -5.280   4.499
  381    HG3  GLU  53           HG3      GLU  53   2.693  -5.451   2.913
  382    H    PHE  54           H        PHE  54   2.366  -1.340   3.003
  383    HA   PHE  54           HA       PHE  54   0.485   0.655   1.968
  384    HB2  PHE  54           HB2      PHE  54   3.426   0.771   2.633
  385    HB3  PHE  54           HB3      PHE  54   2.606   2.057   1.754
  386    HD1  PHE  54           HD1      PHE  54   0.977   3.476   2.854
  387    HD2  PHE  54           HD2      PHE  54   3.010   0.398   4.977
  388    HE1  PHE  54           HE1      PHE  54   0.264   4.479   4.984
  389    HE2  PHE  54           HE2      PHE  54   2.300   1.395   7.110
  390    HZ   PHE  54           HZ       PHE  54   0.924   3.438   7.116
  391    H    LYS  55           H        LYS  55  -0.141  -0.103   0.000
  392    HA   LYS  55           HA       LYS  55   1.935  -0.851  -1.933
  393    HB2  LYS  55           HB2      LYS  55  -0.769  -1.720  -1.426
  394    HB3  LYS  55           HB3      LYS  55  -0.609  -1.181  -3.091
  395    HG2  LYS  55           HG2      LYS  55   1.602  -2.692  -2.885
  396    HG3  LYS  55           HG3      LYS  55   0.553  -3.520  -1.732
  397    HD2  LYS  55           HD2      LYS  55  -0.282  -4.594  -3.507
  398    HD3  LYS  55           HD3      LYS  55  -1.117  -3.082  -3.873
  399    HE2  LYS  55           HE2      LYS  55   1.676  -3.297  -4.809
  400    HE3  LYS  55           HE3      LYS  55   0.504  -4.346  -5.606
  401    HZ1  LYS  55           HZ1      LYS  55   0.966  -1.877  -6.396
  402    HZ2  LYS  55           HZ2      LYS  55  -0.246  -1.549  -5.262
  403    HZ3  LYS  55           HZ3      LYS  55  -0.555  -2.601  -6.549
  404    H    SER  56           H        SER  56   1.183  -0.202  -4.292
  405    HA   SER  56           HA       SER  56   0.494   2.665  -4.236
  406    HB2  SER  56           HB2      SER  56   2.106   3.138  -5.877
  407    HB3  SER  56           HB3      SER  56   2.929   1.989  -4.822
  408    HG   SER  56           HG       SER  56   3.262   1.055  -6.705
  409    H    CYS  57           H        CYS  57  -1.076   3.355  -5.625
  410    HA   CYS  57           HA       CYS  57  -1.987   1.452  -7.672
  411    HB2  CYS  57           HB2      CYS  57  -4.183   1.461  -7.002
  412    HB3  CYS  57           HB3      CYS  57  -3.392   1.599  -5.446
  413    H    ARG  58           H        ARG  58  -3.728   2.637  -9.112
  414    HA   ARG  58           HA       ARG  58  -2.438   5.126  -9.962
  415    HB2  ARG  58           HB2      ARG  58  -3.152   2.943 -11.416
  416    HB3  ARG  58           HB3      ARG  58  -4.566   3.962 -11.642
  417    HG2  ARG  58           HG2      ARG  58  -1.929   5.244 -12.012
  418    HG3  ARG  58           HG3      ARG  58  -2.429   4.066 -13.228
  419    HD2  ARG  58           HD2      ARG  58  -4.117   5.373 -13.995
  420    HD3  ARG  58           HD3      ARG  58  -4.450   6.060 -12.406
  421    HE   ARG  58           HE       ARG  58  -2.997   7.771 -12.871
  422   HH11  ARG  58          HH11      ARG  58  -2.550   5.225 -15.217
  423   HH12  ARG  58          HH12      ARG  58  -1.506   6.169 -16.226
  424   HH21  ARG  58          HH21      ARG  58  -1.624   9.012 -14.198
  425   HH22  ARG  58          HH22      ARG  58  -0.980   8.319 -15.649
  426    H    SER  59           H        SER  59  -3.352   7.015  -9.529
  427    HA   SER  59           HA       SER  59  -5.946   7.153  -8.319
  428    HB2  SER  59           HB2      SER  59  -3.637   8.815  -8.469
  429    HB3  SER  59           HB3      SER  59  -5.015   9.754  -9.040
  430    HG   SER  59           HG       SER  59  -5.098   8.242  -6.652
  431    H    ALA  60           H        ALA  60  -4.597   7.822 -11.480
  432    HA   ALA  60           HA       ALA  60  -6.858   9.229 -12.496
  433    HB1  ALA  60           HB1      ALA  60  -4.387   9.116 -13.356
  434    HB2  ALA  60           HB2      ALA  60  -5.721   9.351 -14.486
  435    HB3  ALA  60           HB3      ALA  60  -4.996   7.754 -14.296
  436    H    LEU  61           H        LEU  61  -6.409   5.982 -11.735
  437    HA   LEU  61           HA       LEU  61  -8.461   5.138 -13.668
  438    HB2  LEU  61           HB2      LEU  61  -6.049   4.020 -13.352
  439    HB3  LEU  61           HB3      LEU  61  -6.920   3.129 -12.120
  440    HG   LEU  61           HG       LEU  61  -8.138   3.283 -14.830
  441   HD11  LEU  61          HD11      LEU  61  -6.803   1.473 -15.674
  442   HD12  LEU  61          HD12      LEU  61  -5.880   1.399 -14.172
  443   HD13  LEU  61          HD13      LEU  61  -5.738   2.805 -15.226
  444   HD21  LEU  61          HD21      LEU  61  -9.468   2.086 -13.381
  445   HD22  LEU  61          HD22      LEU  61  -8.093   1.411 -12.506
  446   HD23  LEU  61          HD23      LEU  61  -8.504   0.801 -14.110
  447    H    MET  62           H        MET  62  -7.567   5.288 -10.295
  448    HA   MET  62           HA       MET  62  -9.533   3.621  -9.213
  449    HB2  MET  62           HB2      MET  62  -7.959   5.943  -8.170
  450    HB3  MET  62           HB3      MET  62  -9.275   5.292  -7.202
  451    HG2  MET  62           HG2      MET  62  -6.964   3.674  -8.244
  452    HG3  MET  62           HG3      MET  62  -7.054   4.373  -6.628
  453    HE1  MET  62           HE1      MET  62  -7.672   0.300  -6.802
  454    HE2  MET  62           HE2      MET  62  -6.527   1.464  -6.135
  455    HE3  MET  62           HE3      MET  62  -6.731   1.330  -7.882
  456    H    GLU  63           H        GLU  63  -9.581   7.121  -9.811
  457    HA   GLU  63           HA       GLU  63 -12.452   7.027 -10.189
  458    HB2  GLU  63           HB2      GLU  63 -11.172   8.646  -7.983
  459    HB3  GLU  63           HB3      GLU  63 -12.797   8.942  -8.584
  460    HG2  GLU  63           HG2      GLU  63 -13.487   6.725  -7.898
  461    HG3  GLU  63           HG3      GLU  63 -11.847   6.361  -7.363
  462    H    GLN  64           H        GLN  64 -12.000   7.652 -12.306
  463    HA   GLN  64           HA       GLN  64 -11.485  10.499 -12.624
  464    HB2  GLN  64           HB2      GLN  64  -9.388   8.793 -12.971
  465    HB3  GLN  64           HB3      GLN  64 -10.047   8.849 -14.601
  466    HG2  GLN  64           HG2      GLN  64 -10.021  11.485 -13.934
  467    HG3  GLN  64           HG3      GLN  64  -8.601  10.885 -13.080
  468   HE21  GLN  64          HE21      GLN  64  -8.647  12.698 -15.289
  469   HE22  GLN  64          HE22      GLN  64  -7.782  11.948 -16.583
  470    H    ARG  65           H        ARG  65 -13.696  10.579 -13.184
  471    HA   ARG  65           HA       ARG  65 -15.463  10.623 -14.615
  472    HB2  ARG  65           HB2      ARG  65 -13.099  10.493 -16.406
  473    HB3  ARG  65           HB3      ARG  65 -14.662  10.150 -17.134
  474    HG2  ARG  65           HG2      ARG  65 -14.561  12.549 -15.437
  475    HG3  ARG  65           HG3      ARG  65 -13.600  12.615 -16.916
  476    HD2  ARG  65           HD2      ARG  65 -15.438  12.470 -18.279
  477    HD3  ARG  65           HD3      ARG  65 -16.394  11.602 -17.079
  478    HE   ARG  65           HE       ARG  65 -16.191  14.451 -17.407
  479   HH11  ARG  65          HH11      ARG  65 -16.920  11.873 -15.170
  480   HH12  ARG  65          HH12      ARG  65 -17.902  12.868 -14.150
  481   HH21  ARG  65          HH21      ARG  65 -17.482  15.762 -16.065
  482   HH22  ARG  65          HH22      ARG  65 -18.222  15.076 -14.657
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  22.155  -8.928  10.730
    2    H2   GLY   1           H2       GLY   1  23.800  -8.747  10.382
    3    H3   GLY   1           H3       GLY   1  23.267 -10.084  11.269
    4    HA2  GLY   1           HA2      GLY   1  23.491 -11.068   9.245
    5    HA3  GLY   1           HA3      GLY   1  21.819 -10.534   9.166
    6    H    SER   2           H        SER   2  23.935 -10.981   7.079
    7    HA   SER   2           HA       SER   2  24.303  -8.307   5.988
    8    HB2  SER   2           HB2      SER   2  25.923 -10.468   5.927
    9    HB3  SER   2           HB3      SER   2  25.087 -10.676   4.388
   10    HG   SER   2           HG       SER   2  27.047  -8.966   5.012
   11    H    GLY   3           H        GLY   3  22.706  -7.425   4.859
   12    HA2  GLY   3           HA2      GLY   3  20.989  -7.166   3.357
   13    HA3  GLY   3           HA3      GLY   3  21.628  -8.584   2.539
   14    H    MET   4           H        MET   4  19.020  -7.330   4.203
   15    HA   MET   4           HA       MET   4  17.787  -9.974   4.340
   16    HB2  MET   4           HB2      MET   4  16.742  -9.273   6.566
   17    HB3  MET   4           HB3      MET   4  18.425  -9.778   6.593
   18    HG2  MET   4           HG2      MET   4  19.173  -7.735   7.171
   19    HG3  MET   4           HG3      MET   4  17.956  -6.897   6.211
   20    HE1  MET   4           HE1      MET   4  17.520  -8.406  10.525
   21    HE2  MET   4           HE2      MET   4  18.924  -8.587   9.472
   22    HE3  MET   4           HE3      MET   4  17.495  -9.588   9.216
   23    H    LYS   5           H        LYS   5  16.120  -9.787   2.998
   24    HA   LYS   5           HA       LYS   5  14.698  -7.244   2.789
   25    HB2  LYS   5           HB2      LYS   5  13.558  -8.382   0.848
   26    HB3  LYS   5           HB3      LYS   5  15.293  -8.156   0.673
   27    HG2  LYS   5           HG2      LYS   5  15.728 -10.373   0.716
   28    HG3  LYS   5           HG3      LYS   5  14.408 -10.723   1.834
   29    HD2  LYS   5           HD2      LYS   5  12.804 -10.349  -0.023
   30    HD3  LYS   5           HD3      LYS   5  14.173 -10.144  -1.118
   31    HE2  LYS   5           HE2      LYS   5  13.520 -12.380  -1.386
   32    HE3  LYS   5           HE3      LYS   5  14.933 -12.445  -0.334
   33    HZ1  LYS   5           HZ1      LYS   5  13.207 -12.404   1.546
   34    HZ2  LYS   5           HZ2      LYS   5  13.428 -13.848   0.693
   35    HZ3  LYS   5           HZ3      LYS   5  12.096 -12.861   0.356
   36    H    GLU   6           H        GLU   6  12.517  -7.005   3.191
   37    HA   GLU   6           HA       GLU   6  11.211  -9.262   4.566
   38    HB2  GLU   6           HB2      GLU   6  11.183  -6.320   5.215
   39    HB3  GLU   6           HB3      GLU   6   9.964  -7.425   5.835
   40    HG2  GLU   6           HG2      GLU   6  11.595  -8.672   7.038
   41    HG3  GLU   6           HG3      GLU   6  12.915  -7.799   6.261
   42    H    PHE   7           H        PHE   7  10.203  -9.916   2.624
   43    HA   PHE   7           HA       PHE   7   8.788  -8.378   0.833
   44    HB2  PHE   7           HB2      PHE   7   7.245 -10.562   0.777
   45    HB3  PHE   7           HB3      PHE   7   8.859 -10.528   0.078
   46    HD1  PHE   7           HD1      PHE   7   7.376 -11.063   3.468
   47    HD2  PHE   7           HD2      PHE   7  10.100 -12.404   0.485
   48    HE1  PHE   7           HE1      PHE   7   8.025 -12.945   4.913
   49    HE2  PHE   7           HE2      PHE   7  10.754 -14.289   1.926
   50    HZ   PHE   7           HZ       PHE   7   9.717 -14.561   4.143
   51    HA   PRO   8           HA       PRO   8   5.071  -7.162   2.902
   52    HB2  PRO   8           HB2      PRO   8   3.358  -6.886   0.894
   53    HB3  PRO   8           HB3      PRO   8   4.850  -5.936   0.928
   54    HG2  PRO   8           HG2      PRO   8   4.201  -8.390  -0.654
   55    HG3  PRO   8           HG3      PRO   8   5.092  -6.943  -1.151
   56    HD2  PRO   8           HD2      PRO   8   6.237  -9.337  -0.310
   57    HD3  PRO   8           HD3      PRO   8   7.062  -7.769  -0.375
   58    H    CYS   9           H        CYS   9   2.463  -7.630   2.500
   59    HA   CYS   9           HA       CYS   9   2.204 -10.509   3.027
   60    HB2  CYS   9           HB2      CYS   9   0.253 -10.017   4.334
   61    HB3  CYS   9           HB3      CYS   9   1.529  -8.921   4.847
   62    H    TRP  10           H        TRP  10   1.126  -7.901   0.996
   63    HA   TRP  10           HA       TRP  10  -1.129  -9.217  -0.118
   64    HB2  TRP  10           HB2      TRP  10  -0.853  -7.491  -1.958
   65    HB3  TRP  10           HB3      TRP  10  -1.064  -6.859  -0.332
   66    HD1  TRP  10           HD1      TRP  10   0.993  -5.570   0.769
   67    HE1  TRP  10           HE1      TRP  10   3.130  -4.552  -0.243
   68    HE3  TRP  10           HE3      TRP  10   0.900  -7.867  -3.789
   69    HZ2  TRP  10           HZ2      TRP  10   4.585  -4.705  -2.659
   70    HZ3  TRP  10           HZ3      TRP  10   2.698  -7.377  -5.398
   71    HH2  TRP  10           HH2      TRP  10   4.502  -5.829  -4.843
   72    H    LEU  11           H        LEU  11   2.233  -9.600  -0.556
   73    HA   LEU  11           HA       LEU  11   2.061 -10.631  -3.244
   74    HB2  LEU  11           HB2      LEU  11   4.243 -10.286  -1.231
   75    HB3  LEU  11           HB3      LEU  11   4.493 -11.363  -2.595
   76    HG   LEU  11           HG       LEU  11   3.781  -8.436  -2.803
   77   HD11  LEU  11          HD11      LEU  11   5.943  -7.980  -2.607
   78   HD12  LEU  11          HD12      LEU  11   6.318  -9.094  -3.922
   79   HD13  LEU  11          HD13      LEU  11   6.266  -9.678  -2.258
   80   HD21  LEU  11          HD21      LEU  11   4.491  -8.848  -5.206
   81   HD22  LEU  11          HD22      LEU  11   2.932  -9.514  -4.717
   82   HD23  LEU  11          HD23      LEU  11   4.340 -10.568  -4.848
   83    H    VAL  12           H        VAL  12   1.714 -11.867  -0.060
   84    HA   VAL  12           HA       VAL  12   1.693 -14.606  -1.144
   85    HB   VAL  12           HB       VAL  12   2.278 -15.321   1.244
   86   HG11  VAL  12          HG11      VAL  12   3.767 -15.203  -0.888
   87   HG12  VAL  12          HG12      VAL  12   4.512 -15.477   0.688
   88   HG13  VAL  12          HG13      VAL  12   4.552 -13.870  -0.040
   89   HG21  VAL  12          HG21      VAL  12   2.806 -13.816   2.807
   90   HG22  VAL  12          HG22      VAL  12   2.075 -12.614   1.744
   91   HG23  VAL  12          HG23      VAL  12   3.816 -12.894   1.694
   92    H    GLU  13           H        GLU  13  -0.216 -12.206   0.013
   93    HA   GLU  13           HA       GLU  13  -2.254 -14.119   0.884
   94    HB2  GLU  13           HB2      GLU  13  -1.621 -11.557   2.362
   95    HB3  GLU  13           HB3      GLU  13  -2.941 -12.656   2.731
   96    HG2  GLU  13           HG2      GLU  13  -1.633 -13.945   3.965
   97    HG3  GLU  13           HG3      GLU  13  -0.414 -14.043   2.696
   98    H    GLU  14           H        GLU  14  -4.453 -13.072   0.956
   99    HA   GLU  14           HA       GLU  14  -4.832 -11.569  -1.476
  100    HB2  GLU  14           HB2      GLU  14  -7.183 -11.921  -1.137
  101    HB3  GLU  14           HB3      GLU  14  -6.351 -13.423  -0.764
  102    HG2  GLU  14           HG2      GLU  14  -6.439 -12.238   1.676
  103    HG3  GLU  14           HG3      GLU  14  -7.944 -11.673   0.952
  104    H    PHE  15           H        PHE  15  -4.553  -9.435  -1.495
  105    HA   PHE  15           HA       PHE  15  -5.051  -7.910   0.942
  106    HB2  PHE  15           HB2      PHE  15  -3.685  -6.223   0.066
  107    HB3  PHE  15           HB3      PHE  15  -2.920  -7.705  -0.489
  108    HD1  PHE  15           HD1      PHE  15  -5.173  -4.960  -1.541
  109    HD2  PHE  15           HD2      PHE  15  -2.566  -8.091  -2.767
  110    HE1  PHE  15           HE1      PHE  15  -5.276  -4.132  -3.853
  111    HE2  PHE  15           HE2      PHE  15  -2.665  -7.269  -5.084
  112    HZ   PHE  15           HZ       PHE  15  -4.021  -5.286  -5.627
  113    H    VAL  16           H        VAL  16  -6.570  -6.345   1.147
  114    HA   VAL  16           HA       VAL  16  -8.415  -5.985  -1.124
  115    HB   VAL  16           HB       VAL  16 -10.156  -5.500   0.673
  116   HG11  VAL  16          HG11      VAL  16 -10.173  -7.536  -0.662
  117   HG12  VAL  16          HG12      VAL  16 -10.667  -7.874   0.998
  118   HG13  VAL  16          HG13      VAL  16  -9.041  -8.295   0.459
  119   HG21  VAL  16          HG21      VAL  16  -8.674  -7.217   2.555
  120   HG22  VAL  16          HG22      VAL  16  -9.754  -5.858   2.865
  121   HG23  VAL  16          HG23      VAL  16  -8.080  -5.563   2.394
  122    H    VAL  17           H        VAL  17  -8.336  -3.991  -1.915
  123    HA   VAL  17           HA       VAL  17  -6.988  -1.849  -0.734
  124    HB   VAL  17           HB       VAL  17  -9.200  -1.625  -2.778
  125   HG11  VAL  17          HG11      VAL  17  -7.586   0.310  -3.483
  126   HG12  VAL  17          HG12      VAL  17  -7.048   0.202  -1.808
  127   HG13  VAL  17          HG13      VAL  17  -8.739   0.549  -2.170
  128   HG21  VAL  17          HG21      VAL  17  -6.939  -3.149  -3.053
  129   HG22  VAL  17          HG22      VAL  17  -6.444  -1.605  -3.746
  130   HG23  VAL  17          HG23      VAL  17  -7.862  -2.441  -4.378
  131    H    ALA  18           H        ALA  18  -7.646  -1.429   1.352
  132    HA   ALA  18           HA       ALA  18 -10.441  -0.838   1.894
  133    HB1  ALA  18           HB1      ALA  18  -9.336  -0.279   4.219
  134    HB2  ALA  18           HB2      ALA  18  -7.993  -1.207   3.550
  135    HB3  ALA  18           HB3      ALA  18  -9.586  -1.948   3.708
  136    H    GLU  19           H        GLU  19  -7.457   0.804   1.274
  137    HA   GLU  19           HA       GLU  19  -8.858   3.372   1.366
  138    HB2  GLU  19           HB2      GLU  19  -6.082   3.013   2.497
  139    HB3  GLU  19           HB3      GLU  19  -7.076   4.460   2.550
  140    HG2  GLU  19           HG2      GLU  19  -8.645   2.576   3.794
  141    HG3  GLU  19           HG3      GLU  19  -7.017   2.163   4.326
  142    H    GLU  20           H        GLU  20  -8.710   4.161  -0.644
  143    HA   GLU  20           HA       GLU  20  -7.093   3.263  -2.676
  144    HB2  GLU  20           HB2      GLU  20  -7.377   5.730  -3.566
  145    HB3  GLU  20           HB3      GLU  20  -8.744   4.632  -3.486
  146    HG2  GLU  20           HG2      GLU  20  -9.214   6.926  -2.673
  147    HG3  GLU  20           HG3      GLU  20  -9.553   5.662  -1.498
  148    H    CYS  21           H        CYS  21  -5.379   4.611  -3.852
  149    HA   CYS  21           HA       CYS  21  -3.316   5.202  -1.885
  150    HB2  CYS  21           HB2      CYS  21  -1.723   4.955  -3.670
  151    HB3  CYS  21           HB3      CYS  21  -2.821   3.590  -3.688
  152    H    SER  22           H        SER  22  -2.206   7.105  -1.756
  153    HA   SER  22           HA       SER  22  -3.079   9.309  -3.486
  154    HB2  SER  22           HB2      SER  22  -3.380   9.087  -0.545
  155    HB3  SER  22           HB3      SER  22  -2.812  10.641  -1.155
  156    HG   SER  22           HG       SER  22  -5.291   9.539  -1.272
  157    HA   PRO  23           HA       PRO  23   0.989  10.886  -3.986
  158    HB2  PRO  23           HB2      PRO  23   0.223  13.150  -2.184
  159    HB3  PRO  23           HB3      PRO  23   1.046  13.189  -3.749
  160    HG2  PRO  23           HG2      PRO  23  -1.547  13.782  -3.553
  161    HG3  PRO  23           HG3      PRO  23  -0.915  12.875  -4.940
  162    HD2  PRO  23           HD2      PRO  23  -2.553  11.935  -2.655
  163    HD3  PRO  23           HD3      PRO  23  -2.444  11.298  -4.306
  164    H    CYS  24           H        CYS  24   2.999  11.134  -2.935
  165    HA   CYS  24           HA       CYS  24   3.002  10.230  -0.131
  166    HB2  CYS  24           HB2      CYS  24   5.121   9.886  -2.264
  167    HB3  CYS  24           HB3      CYS  24   5.239   9.307  -0.607
  168    H    SER  25           H        SER  25   3.576  11.713   1.307
  169    HA   SER  25           HA       SER  25   4.483  14.275   0.710
  170    HB2  SER  25           HB2      SER  25   5.012  12.852   3.322
  171    HB3  SER  25           HB3      SER  25   4.789  14.582   3.060
  172    HG   SER  25           HG       SER  25   2.945  13.115   3.845
  173    H    ASN  26           H        ASN  26   6.620  14.941   2.210
  174    HA   ASN  26           HA       ASN  26   8.800  14.260   0.563
  175    HB2  ASN  26           HB2      ASN  26   8.462  15.779   3.111
  176    HB3  ASN  26           HB3      ASN  26  10.089  15.305   2.633
  177   HD21  ASN  26          HD21      ASN  26  10.551  17.551   2.448
  178   HD22  ASN  26          HD22      ASN  26  10.075  18.428   1.037
  179    H    PHE  27           H        PHE  27   7.618  12.942   3.576
  180    HA   PHE  27           HA       PHE  27   9.983  11.270   3.901
  181    HB2  PHE  27           HB2      PHE  27   7.630  11.969   5.588
  182    HB3  PHE  27           HB3      PHE  27   8.412  10.420   5.879
  183    HD1  PHE  27           HD1      PHE  27  11.000  10.498   6.166
  184    HD2  PHE  27           HD2      PHE  27   8.429  13.856   6.639
  185    HE1  PHE  27           HE1      PHE  27  12.720  11.619   7.522
  186    HE2  PHE  27           HE2      PHE  27  10.145  14.984   7.995
  187    HZ   PHE  27           HZ       PHE  27  12.293  13.865   8.439
  188    H    ARG  28           H        ARG  28   6.664  11.057   2.853
  189    HA   ARG  28           HA       ARG  28   6.475   8.215   2.930
  190    HB2  ARG  28           HB2      ARG  28   4.543   9.853   2.895
  191    HB3  ARG  28           HB3      ARG  28   4.873  10.079   1.184
  192    HG2  ARG  28           HG2      ARG  28   3.616   8.325   0.717
  193    HG3  ARG  28           HG3      ARG  28   4.714   7.297   1.639
  194    HD2  ARG  28           HD2      ARG  28   3.414   8.145   3.698
  195    HD3  ARG  28           HD3      ARG  28   2.191   8.646   2.532
  196    HE   ARG  28           HE       ARG  28   3.017   5.907   2.242
  197   HH11  ARG  28          HH11      ARG  28   0.846   8.081   3.897
  198   HH12  ARG  28          HH12      ARG  28  -0.325   6.852   4.238
  199   HH21  ARG  28          HH21      ARG  28   1.478   4.290   2.690
  200   HH22  ARG  28          HH22      ARG  28   0.034   4.700   3.554
  201    H    ALA  29           H        ALA  29   7.287  10.567   0.416
  202    HA   ALA  29           HA       ALA  29   7.490   8.667  -1.686
  203    HB1  ALA  29           HB1      ALA  29   7.340  11.339  -1.641
  204    HB2  ALA  29           HB2      ALA  29   7.962  10.432  -3.021
  205    HB3  ALA  29           HB3      ALA  29   9.081  11.151  -1.862
  206    H    LYS  30           H        LYS  30   9.662   9.717   0.812
  207    HA   LYS  30           HA       LYS  30  11.962   8.504  -0.510
  208    HB2  LYS  30           HB2      LYS  30  11.570  10.324   1.809
  209    HB3  LYS  30           HB3      LYS  30  12.984   9.280   1.828
  210    HG2  LYS  30           HG2      LYS  30  13.464  11.493   0.894
  211    HG3  LYS  30           HG3      LYS  30  13.738  10.199  -0.275
  212    HD2  LYS  30           HD2      LYS  30  11.388  10.671  -1.120
  213    HD3  LYS  30           HD3      LYS  30  11.445  12.142  -0.147
  214    HE2  LYS  30           HE2      LYS  30  12.892  13.167  -1.546
  215    HE3  LYS  30           HE3      LYS  30  13.770  11.679  -1.894
  216    HZ1  LYS  30           HZ1      LYS  30  12.569  12.583  -3.827
  217    HZ2  LYS  30           HZ2      LYS  30  11.103  12.352  -3.012
  218    HZ3  LYS  30           HZ3      LYS  30  12.064  11.021  -3.420
  219    H    THR  31           H        THR  31   9.731   7.916   2.107
  220    HA   THR  31           HA       THR  31  11.285   5.690   3.135
  221    HB   THR  31           HB       THR  31   8.537   6.680   3.917
  222    HG1  THR  31           HG1      THR  31   9.728   8.227   4.707
  223   HG21  THR  31          HG21      THR  31   9.372   5.522   6.128
  224   HG22  THR  31          HG22      THR  31  10.266   4.522   4.983
  225   HG23  THR  31          HG23      THR  31   8.509   4.623   4.880
  226    H    THR  32           H        THR  32   8.044   6.135   1.717
  227    HA   THR  32           HA       THR  32   7.720   3.295   1.342
  228    HB   THR  32           HB       THR  32   6.014   5.617   0.427
  229    HG1  THR  32           HG1      THR  32   6.080   5.435   2.669
  230   HG21  THR  32          HG21      THR  32   5.642   2.680   0.197
  231   HG22  THR  32          HG22      THR  32   5.190   3.971  -0.917
  232   HG23  THR  32          HG23      THR  32   4.243   3.695   0.545
  233    HA   PRO  33           HA       PRO  33   9.760   3.493  -2.661
  234    HB2  PRO  33           HB2      PRO  33   9.674   0.849  -3.200
  235    HB3  PRO  33           HB3      PRO  33  10.823   1.548  -2.053
  236    HG2  PRO  33           HG2      PRO  33   8.236   0.138  -1.525
  237    HG3  PRO  33           HG3      PRO  33   9.787  -0.016  -0.679
  238    HD2  PRO  33           HD2      PRO  33   7.713   1.481   0.262
  239    HD3  PRO  33           HD3      PRO  33   9.415   1.853   0.602
  240    H    GLU  34           H        GLU  34   6.547   2.781  -1.944
  241    HA   GLU  34           HA       GLU  34   5.808   2.078  -4.670
  242    HB2  GLU  34           HB2      GLU  34   4.407   2.153  -2.036
  243    HB3  GLU  34           HB3      GLU  34   3.438   2.293  -3.496
  244    HG2  GLU  34           HG2      GLU  34   3.392   0.036  -3.158
  245    HG3  GLU  34           HG3      GLU  34   4.775   0.180  -4.240
  246    H    CYS  35           H        CYS  35   7.004   4.605  -4.410
  247    HA   CYS  35           HA       CYS  35   4.759   6.326  -5.185
  248    HB2  CYS  35           HB2      CYS  35   7.130   7.327  -3.612
  249    HB3  CYS  35           HB3      CYS  35   5.648   8.194  -3.997
  250    H    GLY  36           H        GLY  36   7.264   4.763  -6.360
  251    HA2  GLY  36           HA2      GLY  36   8.608   6.932  -7.743
  252    HA3  GLY  36           HA3      GLY  36   8.979   5.222  -7.874
  253    HA   PRO  37           HA       PRO  37   6.446   4.958 -11.495
  254    HB2  PRO  37           HB2      PRO  37   4.573   3.067 -11.170
  255    HB3  PRO  37           HB3      PRO  37   6.298   2.684 -11.149
  256    HG2  PRO  37           HG2      PRO  37   4.386   2.945  -8.877
  257    HG3  PRO  37           HG3      PRO  37   5.736   1.818  -9.088
  258    HD2  PRO  37           HD2      PRO  37   5.799   4.145  -7.567
  259    HD3  PRO  37           HD3      PRO  37   7.219   3.265  -8.161
  260    H    THR  38           H        THR  38   4.025   4.886  -8.862
  261    HA   THR  38           HA       THR  38   2.296   6.596 -10.515
  262    HB   THR  38           HB       THR  38   1.119   4.628  -9.906
  263    HG1  THR  38           HG1      THR  38   0.379   6.538  -7.961
  264   HG21  THR  38          HG21      THR  38   0.864   4.393  -7.228
  265   HG22  THR  38          HG22      THR  38   2.555   4.870  -7.373
  266   HG23  THR  38          HG23      THR  38   1.968   3.439  -8.221
  267    H    GLY  39           H        GLY  39   4.092   6.468  -7.554
  268    HA2  GLY  39           HA2      GLY  39   4.549   8.121  -6.015
  269    HA3  GLY  39           HA3      GLY  39   3.765   9.263  -7.099
  270    H    TYR  40           H        TYR  40   1.869   6.567  -6.355
  271    HA   TYR  40           HA       TYR  40   0.440   7.992  -4.215
  272    HB2  TYR  40           HB2      TYR  40  -0.832   6.439  -6.481
  273    HB3  TYR  40           HB3      TYR  40  -1.677   7.302  -5.208
  274    HD1  TYR  40           HD1      TYR  40  -0.210   9.846  -5.113
  275    HD2  TYR  40           HD2      TYR  40  -1.427   7.516  -8.457
  276    HE1  TYR  40           HE1      TYR  40  -0.236  11.872  -6.507
  277    HE2  TYR  40           HE2      TYR  40  -1.457   9.536  -9.861
  278    HH   TYR  40           HH       TYR  40  -0.010  12.066  -9.474
  279    H    VAL  41           H        VAL  41   0.227   6.763  -2.425
  280    HA   VAL  41           HA       VAL  41   0.443   3.844  -2.758
  281    HB   VAL  41           HB       VAL  41   1.434   3.695  -0.557
  282   HG11  VAL  41          HG11      VAL  41   2.714   5.566  -2.515
  283   HG12  VAL  41          HG12      VAL  41   3.066   3.865  -2.209
  284   HG13  VAL  41          HG13      VAL  41   3.539   5.090  -1.032
  285   HG21  VAL  41          HG21      VAL  41   2.223   6.093   0.324
  286   HG22  VAL  41          HG22      VAL  41   0.712   5.340   0.834
  287   HG23  VAL  41          HG23      VAL  41   0.702   6.561  -0.438
  288    H    GLU  42           H        GLU  42  -1.110   2.593  -2.006
  289    HA   GLU  42           HA       GLU  42  -3.333   3.833  -0.539
  290    HB2  GLU  42           HB2      GLU  42  -4.515   1.657  -1.301
  291    HB3  GLU  42           HB3      GLU  42  -4.202   2.901  -2.497
  292    HG2  GLU  42           HG2      GLU  42  -2.822   1.603  -3.668
  293    HG3  GLU  42           HG3      GLU  42  -2.048   0.962  -2.224
  294    H    LYS  43           H        LYS  43  -4.584   2.112   0.804
  295    HA   LYS  43           HA       LYS  43  -2.634   0.662   2.467
  296    HB2  LYS  43           HB2      LYS  43  -4.287   2.734   3.248
  297    HB3  LYS  43           HB3      LYS  43  -5.179   1.307   3.755
  298    HG2  LYS  43           HG2      LYS  43  -3.462   0.600   5.181
  299    HG3  LYS  43           HG3      LYS  43  -2.283   1.681   4.435
  300    HD2  LYS  43           HD2      LYS  43  -3.032   3.509   5.576
  301    HD3  LYS  43           HD3      LYS  43  -4.688   2.909   5.667
  302    HE2  LYS  43           HE2      LYS  43  -3.964   2.756   7.865
  303    HE3  LYS  43           HE3      LYS  43  -3.707   1.122   7.253
  304    HZ1  LYS  43           HZ1      LYS  43  -1.754   1.652   8.380
  305    HZ2  LYS  43           HZ2      LYS  43  -1.696   3.228   7.764
  306    HZ3  LYS  43           HZ3      LYS  43  -1.358   1.912   6.757
  307    H    ILE  44           H        ILE  44  -2.830  -1.324   1.482
  308    HA   ILE  44           HA       ILE  44  -5.500  -2.510   1.281
  309    HB   ILE  44           HB       ILE  44  -4.271  -4.362   0.073
  310   HG12  ILE  44          HG12      ILE  44  -2.029  -2.344  -0.064
  311   HG13  ILE  44          HG13      ILE  44  -2.027  -3.701   1.057
  312   HG21  ILE  44          HG21      ILE  44  -5.450  -2.966  -1.331
  313   HG22  ILE  44          HG22      ILE  44  -3.810  -2.803  -1.957
  314   HG23  ILE  44          HG23      ILE  44  -4.483  -1.553  -0.911
  315   HD11  ILE  44          HD11      ILE  44  -2.110  -5.252  -0.818
  316   HD12  ILE  44          HD12      ILE  44  -0.714  -4.182  -0.927
  317   HD13  ILE  44          HD13      ILE  44  -2.127  -3.895  -1.944
  318    H    THR  45           H        THR  45  -6.203  -4.008   2.661
  319    HA   THR  45           HA       THR  45  -4.369  -4.965   4.727
  320    HB   THR  45           HB       THR  45  -7.346  -5.413   4.662
  321    HG1  THR  45           HG1      THR  45  -7.629  -3.376   4.969
  322   HG21  THR  45          HG21      THR  45  -5.232  -5.772   6.632
  323   HG22  THR  45          HG22      THR  45  -6.850  -6.470   6.556
  324   HG23  THR  45          HG23      THR  45  -6.616  -4.858   7.231
  325    H    CYS  46           H        CYS  46  -3.939  -7.100   5.105
  326    HA   CYS  46           HA       CYS  46  -4.684  -8.949   2.954
  327    HB2  CYS  46           HB2      CYS  46  -2.467  -9.003   5.005
  328    HB3  CYS  46           HB3      CYS  46  -2.825 -10.357   3.946
  329    H    SER  47           H        SER  47  -6.336 -10.232   3.305
  330    HA   SER  47           HA       SER  47  -7.723 -10.639   5.634
  331    HB2  SER  47           HB2      SER  47  -8.555 -11.330   3.433
  332    HB3  SER  47           HB3      SER  47  -7.337 -12.600   3.364
  333    HG   SER  47           HG       SER  47  -9.757 -12.669   4.496
  334    H    SER  48           H        SER  48  -5.542 -13.101   4.246
  335    HA   SER  48           HA       SER  48  -5.370 -14.543   6.692
  336    HB2  SER  48           HB2      SER  48  -3.897 -14.696   4.067
  337    HB3  SER  48           HB3      SER  48  -3.420 -15.692   5.443
  338    HG   SER  48           HG       SER  48  -4.984 -16.635   3.927
  339    H    SER  49           H        SER  49  -4.557 -13.453   8.348
  340    HA   SER  49           HA       SER  49  -2.585 -13.101   9.650
  341    HB2  SER  49           HB2      SER  49  -1.458 -11.754   7.182
  342    HB3  SER  49           HB3      SER  49  -0.635 -11.946   8.727
  343    HG   SER  49           HG       SER  49  -0.605 -14.159   8.411
  344    H    LYS  50           H        LYS  50  -4.590 -11.109   7.749
  345    HA   LYS  50           HA       LYS  50  -5.377  -8.977   7.976
  346    HB2  LYS  50           HB2      LYS  50  -5.271 -10.193  10.643
  347    HB3  LYS  50           HB3      LYS  50  -5.330  -8.437  10.667
  348    HG2  LYS  50           HG2      LYS  50  -7.277 -10.175   9.170
  349    HG3  LYS  50           HG3      LYS  50  -7.551  -9.532  10.791
  350    HD2  LYS  50           HD2      LYS  50  -7.319  -7.250   9.908
  351    HD3  LYS  50           HD3      LYS  50  -7.087  -7.910   8.288
  352    HE2  LYS  50           HE2      LYS  50  -9.370  -7.215   8.499
  353    HE3  LYS  50           HE3      LYS  50  -9.326  -8.978   8.469
  354    HZ1  LYS  50           HZ1      LYS  50  -9.880  -9.120  10.677
  355    HZ2  LYS  50           HZ2      LYS  50 -10.761  -7.748  10.221
  356    HZ3  LYS  50           HZ3      LYS  50  -9.299  -7.577  11.053
  357    H    ARG  51           H        ARG  51  -3.353  -8.249   6.933
  358    HA   ARG  51           HA       ARG  51  -1.896  -6.448   8.733
  359    HB2  ARG  51           HB2      ARG  51  -0.808  -8.704   7.426
  360    HB3  ARG  51           HB3      ARG  51  -0.175  -7.290   6.600
  361    HG2  ARG  51           HG2      ARG  51   0.560  -6.398   8.788
  362    HG3  ARG  51           HG3      ARG  51   0.022  -7.900   9.539
  363    HD2  ARG  51           HD2      ARG  51   1.551  -9.061   7.832
  364    HD3  ARG  51           HD3      ARG  51   2.264  -7.465   7.594
  365    HE   ARG  51           HE       ARG  51   2.352  -7.776  10.274
  366   HH11  ARG  51          HH11      ARG  51   3.402  -9.778   7.616
  367   HH12  ARG  51          HH12      ARG  51   4.705 -10.494   8.505
  368   HH21  ARG  51          HH21      ARG  51   4.066  -8.715  11.445
  369   HH22  ARG  51          HH22      ARG  51   5.081  -9.890  10.679
  370    H    ASN  52           H        ASN  52  -1.957  -4.418   8.086
  371    HA   ASN  52           HA       ASN  52  -2.897  -3.803   5.396
  372    HB2  ASN  52           HB2      ASN  52  -3.166  -1.507   6.240
  373    HB3  ASN  52           HB3      ASN  52  -3.986  -2.670   7.279
  374   HD21  ASN  52          HD21      ASN  52  -3.170  -3.093   9.325
  375   HD22  ASN  52          HD22      ASN  52  -2.020  -2.055  10.090
  376    H    GLU  53           H        GLU  53  -1.340  -3.772   3.904
  377    HA   GLU  53           HA       GLU  53   1.281  -2.663   4.596
  378    HB2  GLU  53           HB2      GLU  53   0.352  -4.761   2.833
  379    HB3  GLU  53           HB3      GLU  53   1.366  -3.618   1.964
  380    HG2  GLU  53           HG2      GLU  53   2.088  -5.183   4.429
  381    HG3  GLU  53           HG3      GLU  53   2.731  -5.392   2.801
  382    H    PHE  54           H        PHE  54   2.368  -1.359   2.880
  383    HA   PHE  54           HA       PHE  54   0.470   0.624   1.839
  384    HB2  PHE  54           HB2      PHE  54   3.454   0.836   2.314
  385    HB3  PHE  54           HB3      PHE  54   2.425   2.134   1.716
  386    HD1  PHE  54           HD1      PHE  54   0.230   2.446   3.299
  387    HD2  PHE  54           HD2      PHE  54   4.036   0.983   4.516
  388    HE1  PHE  54           HE1      PHE  54  -0.252   3.132   5.612
  389    HE2  PHE  54           HE2      PHE  54   3.561   1.665   6.832
  390    HZ   PHE  54           HZ       PHE  54   1.415   2.741   7.383
  391    H    LYS  55           H        LYS  55  -0.141  -0.178  -0.116
  392    HA   LYS  55           HA       LYS  55   1.943  -0.959  -2.022
  393    HB2  LYS  55           HB2      LYS  55  -0.701  -1.882  -1.482
  394    HB3  LYS  55           HB3      LYS  55  -0.668  -1.257  -3.124
  395    HG2  LYS  55           HG2      LYS  55   1.481  -2.688  -3.359
  396    HG3  LYS  55           HG3      LYS  55   0.865  -3.526  -1.934
  397    HD2  LYS  55           HD2      LYS  55  -0.402  -4.752  -3.294
  398    HD3  LYS  55           HD3      LYS  55  -1.325  -3.293  -3.657
  399    HE2  LYS  55           HE2      LYS  55   0.960  -3.096  -5.231
  400    HE3  LYS  55           HE3      LYS  55   0.500  -4.794  -5.328
  401    HZ1  LYS  55           HZ1      LYS  55  -1.727  -4.113  -5.986
  402    HZ2  LYS  55           HZ2      LYS  55  -0.569  -3.501  -7.057
  403    HZ3  LYS  55           HZ3      LYS  55  -1.275  -2.484  -5.905
  404    H    SER  56           H        SER  56   1.206  -0.357  -4.401
  405    HA   SER  56           HA       SER  56   0.579   2.526  -4.403
  406    HB2  SER  56           HB2      SER  56   1.973   2.097  -6.744
  407    HB3  SER  56           HB3      SER  56   2.660   2.753  -5.259
  408    HG   SER  56           HG       SER  56   3.914   1.029  -5.849
  409    H    CYS  57           H        CYS  57  -1.021   3.215  -5.735
  410    HA   CYS  57           HA       CYS  57  -2.022   1.313  -7.746
  411    HB2  CYS  57           HB2      CYS  57  -4.201   1.405  -7.029
  412    HB3  CYS  57           HB3      CYS  57  -3.373   1.551  -5.493
  413    H    ARG  58           H        ARG  58  -4.043   2.762  -8.836
  414    HA   ARG  58           HA       ARG  58  -2.584   5.039  -9.986
  415    HB2  ARG  58           HB2      ARG  58  -5.042   3.963 -11.279
  416    HB3  ARG  58           HB3      ARG  58  -3.591   4.631 -12.008
  417    HG2  ARG  58           HG2      ARG  58  -2.384   2.604 -11.641
  418    HG3  ARG  58           HG3      ARG  58  -3.705   1.935 -10.681
  419    HD2  ARG  58           HD2      ARG  58  -4.911   1.367 -12.501
  420    HD3  ARG  58           HD3      ARG  58  -4.436   2.813 -13.393
  421    HE   ARG  58           HE       ARG  58  -2.860   1.548 -14.431
  422   HH11  ARG  58          HH11      ARG  58  -3.579   0.057 -11.359
  423   HH12  ARG  58          HH12      ARG  58  -2.530  -1.294 -11.627
  424   HH21  ARG  58          HH21      ARG  58  -1.480  -0.229 -14.787
  425   HH22  ARG  58          HH22      ARG  58  -1.338  -1.456 -13.573
  426    H    SER  59           H        SER  59  -3.237   7.019  -9.487
  427    HA   SER  59           HA       SER  59  -5.862   7.364  -8.236
  428    HB2  SER  59           HB2      SER  59  -3.614   9.378  -8.365
  429    HB3  SER  59           HB3      SER  59  -5.019   9.403  -7.302
  430    HG   SER  59           HG       SER  59  -4.198   7.652  -6.201
  431    H    ALA  60           H        ALA  60  -4.187   8.002 -11.154
  432    HA   ALA  60           HA       ALA  60  -5.351  10.345 -12.067
  433    HB1  ALA  60           HB1      ALA  60  -3.725   9.657 -13.495
  434    HB2  ALA  60           HB2      ALA  60  -5.125   9.039 -14.372
  435    HB3  ALA  60           HB3      ALA  60  -4.170   7.955 -13.361
  436    H    LEU  61           H        LEU  61  -6.787   7.234 -11.611
  437    HA   LEU  61           HA       LEU  61  -9.188   8.109 -13.071
  438    HB2  LEU  61           HB2      LEU  61  -7.837   5.835 -13.492
  439    HB3  LEU  61           HB3      LEU  61  -8.892   5.287 -12.202
  440    HG   LEU  61           HG       LEU  61 -10.831   6.160 -13.608
  441   HD11  LEU  61          HD11      LEU  61  -9.644   7.582 -15.128
  442   HD12  LEU  61          HD12      LEU  61 -10.359   6.256 -16.045
  443   HD13  LEU  61          HD13      LEU  61  -8.636   6.239 -15.669
  444   HD21  LEU  61          HD21      LEU  61 -10.225   3.772 -13.335
  445   HD22  LEU  61          HD22      LEU  61  -9.207   3.902 -14.769
  446   HD23  LEU  61          HD23      LEU  61 -10.949   4.136 -14.901
  447    H    MET  62           H        MET  62  -7.915   7.037 -10.013
  448    HA   MET  62           HA       MET  62 -10.415   6.564  -8.747
  449    HB2  MET  62           HB2      MET  62  -7.722   7.207  -7.536
  450    HB3  MET  62           HB3      MET  62  -9.116   6.606  -6.651
  451    HG2  MET  62           HG2      MET  62  -7.937   5.086  -8.946
  452    HG3  MET  62           HG3      MET  62  -7.302   4.940  -7.309
  453    HE1  MET  62           HE1      MET  62 -10.334   2.310  -8.984
  454    HE2  MET  62           HE2      MET  62  -8.602   2.548  -9.218
  455    HE3  MET  62           HE3      MET  62  -9.748   3.725  -9.860
  456    H    GLU  63           H        GLU  63  -8.069   9.219  -8.327
  457    HA   GLU  63           HA       GLU  63 -10.247  11.128  -8.139
  458    HB2  GLU  63           HB2      GLU  63  -8.573  10.290  -5.829
  459    HB3  GLU  63           HB3      GLU  63  -8.924  12.006  -5.988
  460    HG2  GLU  63           HG2      GLU  63 -11.061  11.753  -5.383
  461    HG3  GLU  63           HG3      GLU  63 -11.253  10.263  -6.305
  462    H    GLN  64           H        GLN  64  -9.387  12.048 -10.006
  463    HA   GLN  64           HA       GLN  64  -6.854  13.495  -9.596
  464    HB2  GLN  64           HB2      GLN  64  -6.917  11.487 -11.290
  465    HB3  GLN  64           HB3      GLN  64  -7.712  12.655 -12.338
  466    HG2  GLN  64           HG2      GLN  64  -5.700  14.174 -11.770
  467    HG3  GLN  64           HG3      GLN  64  -4.926  12.672 -11.264
  468   HE21  GLN  64          HE21      GLN  64  -3.477  13.460 -13.056
  469   HE22  GLN  64          HE22      GLN  64  -3.832  12.894 -14.649
  470    H    ARG  65           H        ARG  65  -7.453  15.545  -9.283
  471    HA   ARG  65           HA       ARG  65  -9.547  16.677 -11.014
  472    HB2  ARG  65           HB2      ARG  65  -8.617  17.347  -8.239
  473    HB3  ARG  65           HB3      ARG  65  -9.458  18.548  -9.209
  474    HG2  ARG  65           HG2      ARG  65 -11.369  17.043  -9.423
  475    HG3  ARG  65           HG3      ARG  65 -10.523  15.835  -8.454
  476    HD2  ARG  65           HD2      ARG  65 -10.551  17.250  -6.532
  477    HD3  ARG  65           HD3      ARG  65 -11.143  18.615  -7.478
  478    HE   ARG  65           HE       ARG  65 -12.706  16.556  -6.303
  479   HH11  ARG  65          HH11      ARG  65 -12.528  18.641  -9.095
  480   HH12  ARG  65          HH12      ARG  65 -14.236  18.617  -9.378
  481   HH21  ARG  65          HH21      ARG  65 -14.953  16.524  -6.672
  482   HH22  ARG  65          HH22      ARG  65 -15.613  17.417  -8.002
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  17.625 -11.872  11.744
    2    H2   GLY   1           H2       GLY   1  18.604 -10.627  12.339
    3    H3   GLY   1           H3       GLY   1  18.497 -12.093  13.176
    4    HA2  GLY   1           HA2      GLY   1  20.568 -12.084  12.037
    5    HA3  GLY   1           HA3      GLY   1  19.501 -13.238  11.252
    6    H    SER   2           H        SER   2  21.842 -11.478  10.367
    7    HA   SER   2           HA       SER   2  20.758  -9.664   8.446
    8    HB2  SER   2           HB2      SER   2  23.460 -10.649   9.187
    9    HB3  SER   2           HB3      SER   2  23.267 -10.031   7.547
   10    HG   SER   2           HG       SER   2  23.271  -8.103   8.354
   11    H    GLY   3           H        GLY   3  21.373  -9.879   6.076
   12    HA2  GLY   3           HA2      GLY   3  21.099 -10.968   4.075
   13    HA3  GLY   3           HA3      GLY   3  21.810 -12.368   4.863
   14    H    MET   4           H        MET   4  18.731 -10.571   5.039
   15    HA   MET   4           HA       MET   4  17.325 -13.112   4.609
   16    HB2  MET   4           HB2      MET   4  17.078 -11.246   6.912
   17    HB3  MET   4           HB3      MET   4  15.596 -11.961   6.291
   18    HG2  MET   4           HG2      MET   4  17.982 -13.628   7.006
   19    HG3  MET   4           HG3      MET   4  16.776 -13.154   8.202
   20    HE1  MET   4           HE1      MET   4  13.637 -14.522   7.336
   21    HE2  MET   4           HE2      MET   4  14.740 -13.750   8.474
   22    HE3  MET   4           HE3      MET   4  14.574 -15.506   8.461
   23    H    LYS   5           H        LYS   5  15.705 -12.999   3.176
   24    HA   LYS   5           HA       LYS   5  15.261 -10.559   1.751
   25    HB2  LYS   5           HB2      LYS   5  13.630 -13.082   1.501
   26    HB3  LYS   5           HB3      LYS   5  13.896 -11.840   0.285
   27    HG2  LYS   5           HG2      LYS   5  16.272 -12.482   0.187
   28    HG3  LYS   5           HG3      LYS   5  15.946 -13.774   1.345
   29    HD2  LYS   5           HD2      LYS   5  14.074 -14.379  -0.437
   30    HD3  LYS   5           HD3      LYS   5  15.190 -13.544  -1.520
   31    HE2  LYS   5           HE2      LYS   5  16.144 -15.577  -1.692
   32    HE3  LYS   5           HE3      LYS   5  16.909 -15.127  -0.168
   33    HZ1  LYS   5           HZ1      LYS   5  14.360 -16.635  -0.369
   34    HZ2  LYS   5           HZ2      LYS   5  15.252 -16.328   1.036
   35    HZ3  LYS   5           HZ3      LYS   5  15.874 -17.358  -0.154
   36    H    GLU   6           H        GLU   6  13.431  -9.286   1.667
   37    HA   GLU   6           HA       GLU   6  11.362  -9.826   3.691
   38    HB2  GLU   6           HB2      GLU   6  12.925  -7.319   3.198
   39    HB3  GLU   6           HB3      GLU   6  11.282  -7.212   3.815
   40    HG2  GLU   6           HG2      GLU   6  13.150  -9.057   5.188
   41    HG3  GLU   6           HG3      GLU   6  13.392  -7.325   5.406
   42    H    PHE   7           H        PHE   7   9.340  -9.757   2.952
   43    HA   PHE   7           HA       PHE   7   8.768  -8.243   0.502
   44    HB2  PHE   7           HB2      PHE   7   7.308 -10.799   0.780
   45    HB3  PHE   7           HB3      PHE   7   7.943 -10.014  -0.661
   46    HD1  PHE   7           HD1      PHE   7  10.522 -10.076  -0.951
   47    HD2  PHE   7           HD2      PHE   7   8.338 -12.691   1.598
   48    HE1  PHE   7           HE1      PHE   7  12.387 -11.681  -1.005
   49    HE2  PHE   7           HE2      PHE   7  10.198 -14.301   1.551
   50    HZ   PHE   7           HZ       PHE   7  12.226 -13.797   0.247
   51    HA   PRO   8           HA       PRO   8   5.000  -7.161   2.568
   52    HB2  PRO   8           HB2      PRO   8   3.191  -6.955   0.628
   53    HB3  PRO   8           HB3      PRO   8   4.643  -5.945   0.610
   54    HG2  PRO   8           HG2      PRO   8   4.044  -8.430  -0.944
   55    HG3  PRO   8           HG3      PRO   8   4.833  -6.939  -1.483
   56    HD2  PRO   8           HD2      PRO   8   6.154  -9.255  -0.719
   57    HD3  PRO   8           HD3      PRO   8   6.880  -7.638  -0.758
   58    H    CYS   9           H        CYS   9   2.385  -7.717   2.269
   59    HA   CYS   9           HA       CYS   9   2.256 -10.589   2.858
   60    HB2  CYS   9           HB2      CYS   9   0.311 -10.148   4.187
   61    HB3  CYS   9           HB3      CYS   9   1.541  -8.978   4.643
   62    H    TRP  10           H        TRP  10   1.011  -8.094   0.779
   63    HA   TRP  10           HA       TRP  10  -1.197  -9.551  -0.244
   64    HB2  TRP  10           HB2      TRP  10  -1.051  -7.863  -2.133
   65    HB3  TRP  10           HB3      TRP  10  -1.259  -7.202  -0.519
   66    HD1  TRP  10           HD1      TRP  10   0.782  -5.812   0.518
   67    HE1  TRP  10           HE1      TRP  10   2.826  -4.698  -0.578
   68    HE3  TRP  10           HE3      TRP  10   0.643  -8.152  -4.014
   69    HZ2  TRP  10           HZ2      TRP  10   4.201  -4.799  -3.041
   70    HZ3  TRP  10           HZ3      TRP  10   2.356  -7.589  -5.691
   71    HH2  TRP  10           HH2      TRP  10   4.098  -5.945  -5.211
   72    H    LEU  11           H        LEU  11   2.186  -9.676  -0.833
   73    HA   LEU  11           HA       LEU  11   1.990 -10.824  -3.459
   74    HB2  LEU  11           HB2      LEU  11   4.204 -10.325  -1.515
   75    HB3  LEU  11           HB3      LEU  11   4.472 -11.412  -2.864
   76    HG   LEU  11           HG       LEU  11   3.600  -8.532  -3.107
   77   HD11  LEU  11          HD11      LEU  11   5.741  -7.977  -2.925
   78   HD12  LEU  11          HD12      LEU  11   6.123  -9.019  -4.294
   79   HD13  LEU  11          HD13      LEU  11   6.176  -9.664  -2.654
   80   HD21  LEU  11          HD21      LEU  11   4.123 -10.712  -5.093
   81   HD22  LEU  11          HD22      LEU  11   4.351  -9.018  -5.529
   82   HD23  LEU  11          HD23      LEU  11   2.769  -9.588  -5.001
   83    H    VAL  12           H        VAL  12   1.748 -11.995  -0.249
   84    HA   VAL  12           HA       VAL  12   1.855 -14.759  -1.262
   85    HB   VAL  12           HB       VAL  12   2.524 -15.379   1.135
   86   HG11  VAL  12          HG11      VAL  12   4.341 -14.045  -0.846
   87   HG12  VAL  12          HG12      VAL  12   4.097 -15.767  -0.551
   88   HG13  VAL  12          HG13      VAL  12   4.961 -14.784   0.631
   89   HG21  VAL  12          HG21      VAL  12   3.929 -12.827   1.422
   90   HG22  VAL  12          HG22      VAL  12   3.102 -13.810   2.630
   91   HG23  VAL  12          HG23      VAL  12   2.180 -12.709   1.607
   92    H    GLU  13           H        GLU  13  -0.152 -12.433  -0.137
   93    HA   GLU  13           HA       GLU  13  -2.076 -14.416   0.830
   94    HB2  GLU  13           HB2      GLU  13  -1.531 -11.798   2.244
   95    HB3  GLU  13           HB3      GLU  13  -2.788 -12.950   2.662
   96    HG2  GLU  13           HG2      GLU  13  -1.396 -14.165   3.879
   97    HG3  GLU  13           HG3      GLU  13  -0.184 -14.198   2.602
   98    H    GLU  14           H        GLU  14  -4.285 -13.204   1.169
   99    HA   GLU  14           HA       GLU  14  -4.811 -11.795  -1.332
  100    HB2  GLU  14           HB2      GLU  14  -6.928 -12.516   0.663
  101    HB3  GLU  14           HB3      GLU  14  -7.053 -12.390  -1.084
  102    HG2  GLU  14           HG2      GLU  14  -6.874 -14.589  -1.191
  103    HG3  GLU  14           HG3      GLU  14  -5.209 -14.431  -0.633
  104    H    PHE  15           H        PHE  15  -4.916  -9.651  -1.386
  105    HA   PHE  15           HA       PHE  15  -5.334  -8.216   1.141
  106    HB2  PHE  15           HB2      PHE  15  -4.097  -6.397   0.244
  107    HB3  PHE  15           HB3      PHE  15  -3.188  -7.854  -0.134
  108    HD1  PHE  15           HD1      PHE  15  -5.188  -5.115  -1.487
  109    HD2  PHE  15           HD2      PHE  15  -2.978  -8.632  -2.415
  110    HE1  PHE  15           HE1      PHE  15  -5.172  -4.473  -3.862
  111    HE2  PHE  15           HE2      PHE  15  -2.958  -7.997  -4.792
  112    HZ   PHE  15           HZ       PHE  15  -4.056  -5.915  -5.517
  113    H    VAL  16           H        VAL  16  -6.481  -6.184   1.072
  114    HA   VAL  16           HA       VAL  16  -8.456  -5.963  -1.075
  115    HB   VAL  16           HB       VAL  16 -10.153  -5.388   0.788
  116   HG11  VAL  16          HG11      VAL  16  -9.661  -8.286   0.903
  117   HG12  VAL  16          HG12      VAL  16  -9.747  -7.595  -0.717
  118   HG13  VAL  16          HG13      VAL  16 -11.098  -7.395   0.400
  119   HG21  VAL  16          HG21      VAL  16  -9.790  -6.050   2.937
  120   HG22  VAL  16          HG22      VAL  16  -8.129  -5.668   2.480
  121   HG23  VAL  16          HG23      VAL  16  -8.684  -7.342   2.471
  122    H    VAL  17           H        VAL  17  -8.329  -3.954  -1.850
  123    HA   VAL  17           HA       VAL  17  -6.925  -1.865  -0.639
  124    HB   VAL  17           HB       VAL  17  -9.132  -1.535  -2.672
  125   HG11  VAL  17          HG11      VAL  17  -8.588   0.611  -2.063
  126   HG12  VAL  17          HG12      VAL  17  -7.417   0.336  -3.352
  127   HG13  VAL  17          HG13      VAL  17  -6.921   0.192  -1.667
  128   HG21  VAL  17          HG21      VAL  17  -7.849  -2.411  -4.278
  129   HG22  VAL  17          HG22      VAL  17  -6.908  -3.131  -2.972
  130   HG23  VAL  17          HG23      VAL  17  -6.402  -1.600  -3.683
  131    H    ALA  18           H        ALA  18  -7.576  -1.469   1.455
  132    HA   ALA  18           HA       ALA  18 -10.351  -0.842   2.024
  133    HB1  ALA  18           HB1      ALA  18  -7.942  -0.728   3.838
  134    HB2  ALA  18           HB2      ALA  18  -9.008  -2.119   3.643
  135    HB3  ALA  18           HB3      ALA  18  -9.631  -0.620   4.333
  136    H    GLU  19           H        GLU  19  -7.380   0.787   1.341
  137    HA   GLU  19           HA       GLU  19  -8.766   3.362   1.490
  138    HB2  GLU  19           HB2      GLU  19  -5.948   2.983   2.504
  139    HB3  GLU  19           HB3      GLU  19  -6.933   4.433   2.609
  140    HG2  GLU  19           HG2      GLU  19  -8.462   2.554   3.903
  141    HG3  GLU  19           HG3      GLU  19  -6.816   2.117   4.359
  142    H    GLU  20           H        GLU  20  -8.707   4.145  -0.522
  143    HA   GLU  20           HA       GLU  20  -7.177   3.259  -2.626
  144    HB2  GLU  20           HB2      GLU  20  -8.272   6.035  -2.155
  145    HB3  GLU  20           HB3      GLU  20  -7.639   5.470  -3.694
  146    HG2  GLU  20           HG2      GLU  20  -9.811   5.035  -4.083
  147    HG3  GLU  20           HG3      GLU  20  -9.422   3.537  -3.237
  148    H    CYS  21           H        CYS  21  -5.480   4.550  -3.850
  149    HA   CYS  21           HA       CYS  21  -3.359   5.138  -1.962
  150    HB2  CYS  21           HB2      CYS  21  -1.843   4.983  -3.849
  151    HB3  CYS  21           HB3      CYS  21  -2.894   3.581  -3.795
  152    H    SER  22           H        SER  22  -2.266   7.030  -1.784
  153    HA   SER  22           HA       SER  22  -3.200   9.302  -3.393
  154    HB2  SER  22           HB2      SER  22  -3.296   8.979  -0.439
  155    HB3  SER  22           HB3      SER  22  -2.822  10.562  -1.058
  156    HG   SER  22           HG       SER  22  -4.765  10.552  -2.289
  157    HA   PRO  23           HA       PRO  23   0.884  10.773  -4.003
  158    HB2  PRO  23           HB2      PRO  23   0.222  13.161  -2.336
  159    HB3  PRO  23           HB3      PRO  23   0.939  13.078  -3.951
  160    HG2  PRO  23           HG2      PRO  23  -1.616  13.740  -3.648
  161    HG3  PRO  23           HG3      PRO  23  -1.104  12.687  -4.982
  162    HD2  PRO  23           HD2      PRO  23  -2.512  11.989  -2.449
  163    HD3  PRO  23           HD3      PRO  23  -2.677  11.277  -4.064
  164    H    CYS  24           H        CYS  24   2.915  11.198  -2.978
  165    HA   CYS  24           HA       CYS  24   2.962  10.420  -0.136
  166    HB2  CYS  24           HB2      CYS  24   4.900   9.839  -2.370
  167    HB3  CYS  24           HB3      CYS  24   5.296   9.580  -0.679
  168    H    SER  25           H        SER  25   3.713  11.880   1.241
  169    HA   SER  25           HA       SER  25   4.642  14.417   0.412
  170    HB2  SER  25           HB2      SER  25   3.584  13.471   2.716
  171    HB3  SER  25           HB3      SER  25   5.286  13.544   3.170
  172    HG   SER  25           HG       SER  25   4.959  15.593   3.438
  173    H    ASN  26           H        ASN  26   6.748  15.057   2.058
  174    HA   ASN  26           HA       ASN  26   8.964  14.219   0.533
  175    HB2  ASN  26           HB2      ASN  26   8.587  15.836   3.015
  176    HB3  ASN  26           HB3      ASN  26  10.209  15.267   2.628
  177   HD21  ASN  26          HD21      ASN  26   7.770  17.533   1.947
  178   HD22  ASN  26          HD22      ASN  26   8.573  18.365   0.663
  179    H    PHE  27           H        PHE  27   7.542  13.016   3.479
  180    HA   PHE  27           HA       PHE  27   9.820  11.316   4.072
  181    HB2  PHE  27           HB2      PHE  27   7.976  12.485   5.680
  182    HB3  PHE  27           HB3      PHE  27   7.273  10.880   5.510
  183    HD1  PHE  27           HD1      PHE  27  10.286  12.722   6.586
  184    HD2  PHE  27           HD2      PHE  27   8.184   9.023   6.637
  185    HE1  PHE  27           HE1      PHE  27  11.832  11.872   8.301
  186    HE2  PHE  27           HE2      PHE  27   9.727   8.166   8.351
  187    HZ   PHE  27           HZ       PHE  27  11.554   9.591   9.185
  188    H    ARG  28           H        ARG  28   6.509  11.005   2.883
  189    HA   ARG  28           HA       ARG  28   6.363   8.206   2.844
  190    HB2  ARG  28           HB2      ARG  28   5.010  10.284   1.126
  191    HB3  ARG  28           HB3      ARG  28   4.616   8.572   1.061
  192    HG2  ARG  28           HG2      ARG  28   4.505  10.060   3.650
  193    HG3  ARG  28           HG3      ARG  28   3.172  10.147   2.495
  194    HD2  ARG  28           HD2      ARG  28   2.464   8.347   3.681
  195    HD3  ARG  28           HD3      ARG  28   3.504   7.505   2.532
  196    HE   ARG  28           HE       ARG  28   5.182   8.065   4.570
  197   HH11  ARG  28          HH11      ARG  28   2.044   6.545   4.430
  198   HH12  ARG  28          HH12      ARG  28   2.336   5.530   5.802
  199   HH21  ARG  28          HH21      ARG  28   5.569   6.729   6.375
  200   HH22  ARG  28          HH22      ARG  28   4.336   5.634   6.906
  201    H    ALA  29           H        ALA  29   7.200  10.464   0.217
  202    HA   ALA  29           HA       ALA  29   7.762   8.565  -1.740
  203    HB1  ALA  29           HB1      ALA  29   9.046  11.270  -1.391
  204    HB2  ALA  29           HB2      ALA  29   7.508  10.958  -2.195
  205    HB3  ALA  29           HB3      ALA  29   9.005  10.319  -2.875
  206    H    LYS  30           H        LYS  30   9.606   9.500   1.035
  207    HA   LYS  30           HA       LYS  30  12.074   8.367   0.007
  208    HB2  LYS  30           HB2      LYS  30  11.309   9.719   2.584
  209    HB3  LYS  30           HB3      LYS  30  12.854   8.899   2.402
  210    HG2  LYS  30           HG2      LYS  30  13.225  10.366   0.365
  211    HG3  LYS  30           HG3      LYS  30  11.841  11.306   0.926
  212    HD2  LYS  30           HD2      LYS  30  12.966  11.743   3.036
  213    HD3  LYS  30           HD3      LYS  30  14.331  10.744   2.536
  214    HE2  LYS  30           HE2      LYS  30  13.512  13.002   0.782
  215    HE3  LYS  30           HE3      LYS  30  14.364  13.375   2.280
  216    HZ1  LYS  30           HZ1      LYS  30  15.380  11.410   0.309
  217    HZ2  LYS  30           HZ2      LYS  30  16.218  12.116   1.598
  218    HZ3  LYS  30           HZ3      LYS  30  15.789  13.051   0.255
  219    H    THR  31           H        THR  31  10.142   7.806   2.957
  220    HA   THR  31           HA       THR  31  11.315   5.310   3.532
  221    HB   THR  31           HB       THR  31   8.538   5.782   4.448
  222    HG1  THR  31           HG1      THR  31   9.110   7.493   5.741
  223   HG21  THR  31          HG21      THR  31  10.069   4.040   5.394
  224   HG22  THR  31          HG22      THR  31   9.359   5.147   6.569
  225   HG23  THR  31          HG23      THR  31  11.034   5.358   6.059
  226    H    THR  32           H        THR  32   8.094   6.056   2.193
  227    HA   THR  32           HA       THR  32   7.590   3.310   1.535
  228    HB   THR  32           HB       THR  32   6.097   5.777   0.631
  229    HG1  THR  32           HG1      THR  32   5.413   5.899   2.592
  230   HG21  THR  32          HG21      THR  32   5.294   4.002  -0.661
  231   HG22  THR  32          HG22      THR  32   4.153   4.153   0.676
  232   HG23  THR  32          HG23      THR  32   5.367   2.873   0.693
  233    HA   PRO  33           HA       PRO  33   9.781   3.761  -2.386
  234    HB2  PRO  33           HB2      PRO  33   9.988   1.151  -2.951
  235    HB3  PRO  33           HB3      PRO  33  10.978   1.906  -1.696
  236    HG2  PRO  33           HG2      PRO  33   8.484   0.273  -1.416
  237    HG3  PRO  33           HG3      PRO  33   9.975   0.207  -0.462
  238    HD2  PRO  33           HD2      PRO  33   7.710   1.522   0.340
  239    HD3  PRO  33           HD3      PRO  33   9.346   1.960   0.869
  240    H    GLU  34           H        GLU  34   6.623   2.900  -1.764
  241    HA   GLU  34           HA       GLU  34   5.993   2.032  -4.467
  242    HB2  GLU  34           HB2      GLU  34   4.571   2.101  -1.865
  243    HB3  GLU  34           HB3      GLU  34   3.580   2.256  -3.309
  244    HG2  GLU  34           HG2      GLU  34   3.546   0.020  -3.216
  245    HG3  GLU  34           HG3      GLU  34   5.113   0.160  -4.013
  246    H    CYS  35           H        CYS  35   6.984   4.785  -3.878
  247    HA   CYS  35           HA       CYS  35   4.695   6.276  -4.979
  248    HB2  CYS  35           HB2      CYS  35   6.916   7.584  -3.429
  249    HB3  CYS  35           HB3      CYS  35   5.308   8.205  -3.783
  250    H    GLY  36           H        GLY  36   7.247   4.810  -6.060
  251    HA2  GLY  36           HA2      GLY  36   8.649   6.963  -7.387
  252    HA3  GLY  36           HA3      GLY  36   8.950   5.245  -7.579
  253    HA   PRO  37           HA       PRO  37   6.506   5.156 -11.246
  254    HB2  PRO  37           HB2      PRO  37   4.464   3.391 -10.927
  255    HB3  PRO  37           HB3      PRO  37   6.155   2.907 -11.076
  256    HG2  PRO  37           HG2      PRO  37   4.427   3.031  -8.669
  257    HG3  PRO  37           HG3      PRO  37   5.771   1.944  -9.037
  258    HD2  PRO  37           HD2      PRO  37   5.880   4.161  -7.355
  259    HD3  PRO  37           HD3      PRO  37   7.274   3.318  -8.051
  260    H    THR  38           H        THR  38   3.594   4.588  -9.303
  261    HA   THR  38           HA       THR  38   2.165   6.611 -10.732
  262    HB   THR  38           HB       THR  38   0.954   4.652 -10.045
  263    HG1  THR  38           HG1      THR  38  -0.772   5.642  -9.197
  264   HG21  THR  38          HG21      THR  38   0.747   5.023  -7.228
  265   HG22  THR  38          HG22      THR  38   2.440   4.813  -7.675
  266   HG23  THR  38          HG23      THR  38   1.250   3.595  -8.134
  267    H    GLY  39           H        GLY  39   3.788   6.414  -7.649
  268    HA2  GLY  39           HA2      GLY  39   4.433   8.174  -6.267
  269    HA3  GLY  39           HA3      GLY  39   3.530   9.276  -7.300
  270    H    TYR  40           H        TYR  40   1.505   6.788  -6.678
  271    HA   TYR  40           HA       TYR  40   0.325   8.106  -4.326
  272    HB2  TYR  40           HB2      TYR  40  -0.945   6.818  -6.741
  273    HB3  TYR  40           HB3      TYR  40  -1.846   7.100  -5.259
  274    HD1  TYR  40           HD1      TYR  40   0.563   9.124  -7.288
  275    HD2  TYR  40           HD2      TYR  40  -3.268   8.902  -5.451
  276    HE1  TYR  40           HE1      TYR  40   0.078  11.415  -8.037
  277    HE2  TYR  40           HE2      TYR  40  -3.764  11.192  -6.196
  278    HH   TYR  40           HH       TYR  40  -2.862  12.705  -8.220
  279    H    VAL  41           H        VAL  41   0.127   6.848  -2.542
  280    HA   VAL  41           HA       VAL  41   0.381   3.936  -2.921
  281    HB   VAL  41           HB       VAL  41   1.377   3.804  -0.691
  282   HG11  VAL  41          HG11      VAL  41   2.846   3.959  -2.604
  283   HG12  VAL  41          HG12      VAL  41   3.543   4.838  -1.243
  284   HG13  VAL  41          HG13      VAL  41   2.765   5.720  -2.558
  285   HG21  VAL  41          HG21      VAL  41   2.212   6.020   0.283
  286   HG22  VAL  41          HG22      VAL  41   0.506   5.628   0.496
  287   HG23  VAL  41          HG23      VAL  41   0.998   6.782  -0.744
  288    H    GLU  42           H        GLU  42  -1.128   2.644  -2.138
  289    HA   GLU  42           HA       GLU  42  -3.345   3.826  -0.614
  290    HB2  GLU  42           HB2      GLU  42  -4.493   1.630  -1.348
  291    HB3  GLU  42           HB3      GLU  42  -4.219   2.866  -2.563
  292    HG2  GLU  42           HG2      GLU  42  -2.804   1.590  -3.728
  293    HG3  GLU  42           HG3      GLU  42  -2.042   0.938  -2.281
  294    H    LYS  43           H        LYS  43  -4.524   2.036   0.732
  295    HA   LYS  43           HA       LYS  43  -2.494   0.637   2.344
  296    HB2  LYS  43           HB2      LYS  43  -4.134   2.689   3.187
  297    HB3  LYS  43           HB3      LYS  43  -5.000   1.256   3.719
  298    HG2  LYS  43           HG2      LYS  43  -3.414   0.688   5.239
  299    HG3  LYS  43           HG3      LYS  43  -2.097   1.376   4.287
  300    HD2  LYS  43           HD2      LYS  43  -2.315   3.419   5.225
  301    HD3  LYS  43           HD3      LYS  43  -4.074   3.308   5.305
  302    HE2  LYS  43           HE2      LYS  43  -4.055   2.447   7.389
  303    HE3  LYS  43           HE3      LYS  43  -2.615   1.476   7.085
  304    HZ1  LYS  43           HZ1      LYS  43  -2.508   3.462   8.719
  305    HZ2  LYS  43           HZ2      LYS  43  -2.370   4.398   7.316
  306    HZ3  LYS  43           HZ3      LYS  43  -1.226   3.197   7.649
  307    H    ILE  44           H        ILE  44  -2.686  -1.354   1.410
  308    HA   ILE  44           HA       ILE  44  -5.338  -2.588   1.247
  309    HB   ILE  44           HB       ILE  44  -4.128  -4.429   0.047
  310   HG12  ILE  44          HG12      ILE  44  -1.835  -3.085  -0.832
  311   HG13  ILE  44          HG13      ILE  44  -1.842  -2.868   0.913
  312   HG21  ILE  44          HG21      ILE  44  -5.265  -2.962  -1.345
  313   HG22  ILE  44          HG22      ILE  44  -3.627  -2.938  -1.995
  314   HG23  ILE  44          HG23      ILE  44  -4.188  -1.616  -0.971
  315   HD11  ILE  44          HD11      ILE  44  -2.431  -5.522   0.648
  316   HD12  ILE  44          HD12      ILE  44  -0.839  -4.844   0.980
  317   HD13  ILE  44          HD13      ILE  44  -1.299  -5.237  -0.676
  318    H    THR  45           H        THR  45  -6.016  -4.059   2.660
  319    HA   THR  45           HA       THR  45  -4.121  -5.041   4.673
  320    HB   THR  45           HB       THR  45  -7.124  -5.260   4.789
  321    HG1  THR  45           HG1      THR  45  -5.461  -3.098   5.530
  322   HG21  THR  45          HG21      THR  45  -6.395  -4.886   7.308
  323   HG22  THR  45          HG22      THR  45  -4.913  -5.637   6.714
  324   HG23  THR  45          HG23      THR  45  -6.452  -6.485   6.566
  325    H    CYS  46           H        CYS  46  -3.719  -7.182   4.970
  326    HA   CYS  46           HA       CYS  46  -4.733  -8.982   2.909
  327    HB2  CYS  46           HB2      CYS  46  -2.456  -9.230   4.881
  328    HB3  CYS  46           HB3      CYS  46  -2.968 -10.544   3.836
  329    H    SER  47           H        SER  47  -6.372 -10.288   3.295
  330    HA   SER  47           HA       SER  47  -7.749 -10.540   5.673
  331    HB2  SER  47           HB2      SER  47  -8.801 -11.237   3.635
  332    HB3  SER  47           HB3      SER  47  -7.545 -12.435   3.326
  333    HG   SER  47           HG       SER  47  -8.561 -13.788   4.568
  334    H    SER  48           H        SER  48  -4.897 -12.185   4.583
  335    HA   SER  48           HA       SER  48  -5.008 -14.158   6.705
  336    HB2  SER  48           HB2      SER  48  -3.558 -13.847   4.209
  337    HB3  SER  48           HB3      SER  48  -2.471 -14.265   5.531
  338    HG   SER  48           HG       SER  48  -4.655 -15.703   4.498
  339    H    SER  49           H        SER  49  -4.691 -13.297   8.631
  340    HA   SER  49           HA       SER  49  -3.483 -12.582  10.435
  341    HB2  SER  49           HB2      SER  49  -1.407 -12.615   8.377
  342    HB3  SER  49           HB3      SER  49  -1.172 -11.324   9.552
  343    HG   SER  49           HG       SER  49  -0.615 -13.871   9.848
  344    H    LYS  50           H        LYS  50  -4.977 -10.867   8.209
  345    HA   LYS  50           HA       LYS  50  -5.508  -8.661   7.853
  346    HB2  LYS  50           HB2      LYS  50  -5.692  -9.277  10.715
  347    HB3  LYS  50           HB3      LYS  50  -5.576  -7.557  10.370
  348    HG2  LYS  50           HG2      LYS  50  -7.551  -9.309   8.954
  349    HG3  LYS  50           HG3      LYS  50  -7.901  -8.595  10.530
  350    HD2  LYS  50           HD2      LYS  50  -6.996  -6.425   9.204
  351    HD3  LYS  50           HD3      LYS  50  -7.712  -7.333   7.871
  352    HE2  LYS  50           HE2      LYS  50  -9.392  -5.886   8.755
  353    HE3  LYS  50           HE3      LYS  50  -9.797  -7.534   9.229
  354    HZ1  LYS  50           HZ1      LYS  50  -8.376  -6.794  11.330
  355    HZ2  LYS  50           HZ2      LYS  50 -10.046  -6.540  11.225
  356    HZ3  LYS  50           HZ3      LYS  50  -8.975  -5.278  10.876
  357    H    ARG  51           H        ARG  51  -3.353  -8.358   6.859
  358    HA   ARG  51           HA       ARG  51  -1.688  -6.542   8.464
  359    HB2  ARG  51           HB2      ARG  51  -0.987  -8.893   7.067
  360    HB3  ARG  51           HB3      ARG  51  -0.271  -7.554   6.193
  361    HG2  ARG  51           HG2      ARG  51   0.763  -6.779   8.296
  362    HG3  ARG  51           HG3      ARG  51   0.101  -8.199   9.108
  363    HD2  ARG  51           HD2      ARG  51   1.394  -9.667   7.714
  364    HD3  ARG  51           HD3      ARG  51   1.944  -8.315   6.726
  365    HE   ARG  51           HE       ARG  51   3.064  -9.192   9.185
  366   HH11  ARG  51          HH11      ARG  51   2.432  -6.328   7.294
  367   HH12  ARG  51          HH12      ARG  51   3.741  -5.431   7.987
  368   HH21  ARG  51          HH21      ARG  51   4.786  -8.014  10.098
  369   HH22  ARG  51          HH22      ARG  51   5.078  -6.387   9.579
  370    H    ASN  52           H        ASN  52  -1.782  -4.515   7.871
  371    HA   ASN  52           HA       ASN  52  -2.740  -3.815   5.206
  372    HB2  ASN  52           HB2      ASN  52  -2.730  -1.458   6.195
  373    HB3  ASN  52           HB3      ASN  52  -3.879  -2.602   6.881
  374   HD21  ASN  52          HD21      ASN  52  -3.914  -1.173   8.707
  375   HD22  ASN  52          HD22      ASN  52  -2.679  -1.284   9.909
  376    H    GLU  53           H        GLU  53  -1.207  -3.771   3.704
  377    HA   GLU  53           HA       GLU  53   1.448  -2.742   4.389
  378    HB2  GLU  53           HB2      GLU  53   0.413  -4.717   2.505
  379    HB3  GLU  53           HB3      GLU  53   1.562  -3.614   1.766
  380    HG2  GLU  53           HG2      GLU  53   2.011  -5.383   4.157
  381    HG3  GLU  53           HG3      GLU  53   2.737  -5.535   2.556
  382    H    PHE  54           H        PHE  54   2.536  -1.382   2.745
  383    HA   PHE  54           HA       PHE  54   0.666   0.656   1.769
  384    HB2  PHE  54           HB2      PHE  54   3.591   0.706   2.480
  385    HB3  PHE  54           HB3      PHE  54   2.869   1.987   1.510
  386    HD1  PHE  54           HD1      PHE  54   0.852   3.211   2.495
  387    HD2  PHE  54           HD2      PHE  54   3.468   0.769   4.797
  388    HE1  PHE  54           HE1      PHE  54   0.093   4.338   4.546
  389    HE2  PHE  54           HE2      PHE  54   2.712   1.889   6.852
  390    HZ   PHE  54           HZ       PHE  54   1.023   3.677   6.729
  391    H    LYS  55           H        LYS  55   0.009  -0.078  -0.197
  392    HA   LYS  55           HA       LYS  55   2.065  -0.803  -2.164
  393    HB2  LYS  55           HB2      LYS  55  -0.524  -1.830  -1.560
  394    HB3  LYS  55           HB3      LYS  55  -0.566  -1.181  -3.194
  395    HG2  LYS  55           HG2      LYS  55   1.516  -2.531  -3.652
  396    HG3  LYS  55           HG3      LYS  55   1.240  -3.317  -2.096
  397    HD2  LYS  55           HD2      LYS  55  -0.431  -4.576  -2.903
  398    HD3  LYS  55           HD3      LYS  55  -1.133  -3.228  -3.802
  399    HE2  LYS  55           HE2      LYS  55   0.477  -3.532  -5.580
  400    HE3  LYS  55           HE3      LYS  55   1.292  -4.798  -4.667
  401    HZ1  LYS  55           HZ1      LYS  55  -0.033  -5.994  -6.093
  402    HZ2  LYS  55           HZ2      LYS  55  -1.310  -4.884  -6.037
  403    HZ3  LYS  55           HZ3      LYS  55  -1.025  -5.913  -4.725
  404    H    SER  56           H        SER  56   1.230  -0.205  -4.510
  405    HA   SER  56           HA       SER  56   0.471   2.645  -4.465
  406    HB2  SER  56           HB2      SER  56   2.053   3.156  -6.100
  407    HB3  SER  56           HB3      SER  56   2.909   1.955  -5.134
  408    HG   SER  56           HG       SER  56   3.057   0.831  -6.890
  409    H    CYS  57           H        CYS  57  -1.142   3.291  -5.831
  410    HA   CYS  57           HA       CYS  57  -2.086   1.333  -7.813
  411    HB2  CYS  57           HB2      CYS  57  -4.257   1.311  -7.071
  412    HB3  CYS  57           HB3      CYS  57  -3.418   1.492  -5.544
  413    H    ARG  58           H        ARG  58  -3.923   2.446  -9.174
  414    HA   ARG  58           HA       ARG  58  -2.685   4.843 -10.266
  415    HB2  ARG  58           HB2      ARG  58  -5.126   3.585 -11.453
  416    HB3  ARG  58           HB3      ARG  58  -3.781   4.387 -12.251
  417    HG2  ARG  58           HG2      ARG  58  -2.349   2.467 -11.795
  418    HG3  ARG  58           HG3      ARG  58  -3.691   1.659 -10.981
  419    HD2  ARG  58           HD2      ARG  58  -4.011   0.733 -13.012
  420    HD3  ARG  58           HD3      ARG  58  -4.857   2.247 -13.333
  421    HE   ARG  58           HE       ARG  58  -3.233   2.763 -14.846
  422   HH11  ARG  58          HH11      ARG  58  -1.958   0.365 -12.653
  423   HH12  ARG  58          HH12      ARG  58  -0.471   0.181 -13.520
  424   HH21  ARG  58          HH21      ARG  58  -1.279   2.521 -15.989
  425   HH22  ARG  58          HH22      ARG  58  -0.084   1.405 -15.414
  426    H    SER  59           H        SER  59  -3.394   6.812  -9.794
  427    HA   SER  59           HA       SER  59  -6.033   7.083  -8.544
  428    HB2  SER  59           HB2      SER  59  -3.625   8.004  -7.688
  429    HB3  SER  59           HB3      SER  59  -4.225   9.415  -8.559
  430    HG   SER  59           HG       SER  59  -5.581   8.010  -6.495
  431    H    ALA  60           H        ALA  60  -4.092   8.157 -11.244
  432    HA   ALA  60           HA       ALA  60  -5.678  10.309 -12.103
  433    HB1  ALA  60           HB1      ALA  60  -3.609  10.251 -13.113
  434    HB2  ALA  60           HB2      ALA  60  -4.647   9.642 -14.403
  435    HB3  ALA  60           HB3      ALA  60  -3.694   8.519 -13.433
  436    H    LEU  61           H        LEU  61  -6.268   6.937 -12.173
  437    HA   LEU  61           HA       LEU  61  -8.438   7.314 -14.125
  438    HB2  LEU  61           HB2      LEU  61  -6.442   5.504 -14.274
  439    HB3  LEU  61           HB3      LEU  61  -7.621   4.575 -13.368
  440    HG   LEU  61           HG       LEU  61  -9.280   5.005 -15.178
  441   HD11  LEU  61          HD11      LEU  61  -7.681   7.019 -15.952
  442   HD12  LEU  61          HD12      LEU  61  -8.842   6.231 -17.019
  443   HD13  LEU  61          HD13      LEU  61  -7.144   5.760 -17.062
  444   HD21  LEU  61          HD21      LEU  61  -8.030   2.919 -15.102
  445   HD22  LEU  61          HD22      LEU  61  -6.714   3.659 -16.014
  446   HD23  LEU  61          HD23      LEU  61  -8.291   3.428 -16.771
  447    H    MET  62           H        MET  62  -7.587   6.153 -10.934
  448    HA   MET  62           HA       MET  62  -9.988   4.886 -10.259
  449    HB2  MET  62           HB2      MET  62  -7.720   6.073  -8.759
  450    HB3  MET  62           HB3      MET  62  -9.212   5.827  -7.864
  451    HG2  MET  62           HG2      MET  62  -7.681   3.716  -9.364
  452    HG3  MET  62           HG3      MET  62  -7.701   3.942  -7.616
  453    HE1  MET  62           HE1      MET  62  -8.652   1.533  -9.958
  454    HE2  MET  62           HE2      MET  62  -9.665   2.726 -10.771
  455    HE3  MET  62           HE3      MET  62 -10.404   1.331  -9.985
  456    H    GLU  63           H        GLU  63  -8.934   8.174  -9.370
  457    HA   GLU  63           HA       GLU  63 -11.587   9.212  -9.837
  458    HB2  GLU  63           HB2      GLU  63 -10.396   9.182  -7.059
  459    HB3  GLU  63           HB3      GLU  63 -11.783  10.155  -7.532
  460    HG2  GLU  63           HG2      GLU  63 -12.776   7.868  -8.286
  461    HG3  GLU  63           HG3      GLU  63 -11.568   7.202  -7.188
  462    H    GLN  64           H        GLN  64 -10.563  10.538 -11.344
  463    HA   GLN  64           HA       GLN  64  -8.927  12.684 -10.166
  464    HB2  GLN  64           HB2      GLN  64  -7.885  10.887 -11.865
  465    HB3  GLN  64           HB3      GLN  64  -8.541  12.024 -13.035
  466    HG2  GLN  64           HG2      GLN  64  -6.258  12.580 -12.618
  467    HG3  GLN  64           HG3      GLN  64  -7.280  13.834 -11.919
  468   HE21  GLN  64          HE21      GLN  64  -7.358  14.088  -9.711
  469   HE22  GLN  64          HE22      GLN  64  -6.256  13.305  -8.636
  470    H    ARG  65           H        ARG  65 -10.965  13.802  -9.916
  471    HA   ARG  65           HA       ARG  65 -12.536  14.484 -12.210
  472    HB2  ARG  65           HB2      ARG  65 -13.055  14.470  -9.567
  473    HB3  ARG  65           HB3      ARG  65 -12.685  16.176  -9.780
  474    HG2  ARG  65           HG2      ARG  65 -14.555  16.575 -10.989
  475    HG3  ARG  65           HG3      ARG  65 -14.552  14.973 -11.728
  476    HD2  ARG  65           HD2      ARG  65 -15.037  14.313  -9.161
  477    HD3  ARG  65           HD3      ARG  65 -15.788  15.906  -9.218
  478    HE   ARG  65           HE       ARG  65 -16.713  13.505 -10.497
  479   HH11  ARG  65          HH11      ARG  65 -16.776  16.994 -10.581
  480   HH12  ARG  65          HH12      ARG  65 -18.276  17.070 -11.442
  481   HH21  ARG  65          HH21      ARG  65 -18.686  13.604 -11.628
  482   HH22  ARG  65          HH22      ARG  65 -19.361  15.147 -12.037
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1  21.275  -3.538   2.342
    2    H2   GLY   1           H2       GLY   1  21.757  -5.156   2.448
    3    H3   GLY   1           H3       GLY   1  20.120  -4.771   2.266
    4    HA2  GLY   1           HA2      GLY   1  20.784  -3.672   0.087
    5    HA3  GLY   1           HA3      GLY   1  22.291  -4.555   0.273
    6    H    SER   2           H        SER   2  21.482  -6.959   1.260
    7    HA   SER   2           HA       SER   2  19.260  -8.059  -0.138
    8    HB2  SER   2           HB2      SER   2  20.422  -9.415  -1.768
    9    HB3  SER   2           HB3      SER   2  20.876  -7.729  -2.022
   10    HG   SER   2           HG       SER   2  22.728  -8.976  -2.060
   11    H    GLY   3           H        GLY   3  19.343 -10.539  -0.038
   12    HA2  GLY   3           HA2      GLY   3  20.169 -12.498   1.059
   13    HA3  GLY   3           HA3      GLY   3  20.941 -11.463   2.250
   14    H    MET   4           H        MET   4  19.169  -9.956   3.357
   15    HA   MET   4           HA       MET   4  17.556 -11.702   4.891
   16    HB2  MET   4           HB2      MET   4  17.909  -8.737   4.729
   17    HB3  MET   4           HB3      MET   4  16.541  -9.382   5.625
   18    HG2  MET   4           HG2      MET   4  19.308 -10.374   6.159
   19    HG3  MET   4           HG3      MET   4  18.739  -8.864   6.868
   20    HE1  MET   4           HE1      MET   4  19.477 -12.143   7.284
   21    HE2  MET   4           HE2      MET   4  18.368 -12.917   8.417
   22    HE3  MET   4           HE3      MET   4  19.465 -11.655   8.978
   23    H    LYS   5           H        LYS   5  15.555 -12.420   4.570
   24    HA   LYS   5           HA       LYS   5  14.139 -11.792   2.181
   25    HB2  LYS   5           HB2      LYS   5  12.398 -13.293   3.084
   26    HB3  LYS   5           HB3      LYS   5  14.001 -14.015   3.144
   27    HG2  LYS   5           HG2      LYS   5  13.907 -12.915   5.590
   28    HG3  LYS   5           HG3      LYS   5  12.190 -13.228   5.329
   29    HD2  LYS   5           HD2      LYS   5  13.996 -15.430   4.586
   30    HD3  LYS   5           HD3      LYS   5  13.944 -15.048   6.308
   31    HE2  LYS   5           HE2      LYS   5  11.732 -15.623   6.510
   32    HE3  LYS   5           HE3      LYS   5  11.377 -15.279   4.818
   33    HZ1  LYS   5           HZ1      LYS   5  11.373 -17.520   4.714
   34    HZ2  LYS   5           HZ2      LYS   5  12.402 -17.712   6.044
   35    HZ3  LYS   5           HZ3      LYS   5  13.041 -17.311   4.530
   36    H    GLU   6           H        GLU   6  13.012 -10.000   1.862
   37    HA   GLU   6           HA       GLU   6  11.330  -8.983   4.043
   38    HB2  GLU   6           HB2      GLU   6  13.417  -7.519   2.500
   39    HB3  GLU   6           HB3      GLU   6  11.944  -6.654   2.915
   40    HG2  GLU   6           HG2      GLU   6  12.495  -6.496   5.078
   41    HG3  GLU   6           HG3      GLU   6  13.150  -8.132   5.137
   42    H    PHE   7           H        PHE   7   9.398  -9.592   3.212
   43    HA   PHE   7           HA       PHE   7   8.622  -8.352   0.668
   44    HB2  PHE   7           HB2      PHE   7   7.120 -10.592   0.558
   45    HB3  PHE   7           HB3      PHE   7   8.687 -10.440  -0.224
   46    HD1  PHE   7           HD1      PHE   7   7.190 -11.455   3.035
   47    HD2  PHE   7           HD2      PHE   7  10.282 -12.051   0.173
   48    HE1  PHE   7           HE1      PHE   7   8.011 -13.379   4.329
   49    HE2  PHE   7           HE2      PHE   7  11.109 -13.976   1.462
   50    HZ   PHE   7           HZ       PHE   7   9.974 -14.642   3.543
   51    HA   PRO   8           HA       PRO   8   4.915  -7.304   2.845
   52    HB2  PRO   8           HB2      PRO   8   3.143  -7.005   0.888
   53    HB3  PRO   8           HB3      PRO   8   4.603  -6.008   0.929
   54    HG2  PRO   8           HG2      PRO   8   4.004  -8.425  -0.728
   55    HG3  PRO   8           HG3      PRO   8   4.816  -6.923  -1.197
   56    HD2  PRO   8           HD2      PRO   8   6.100  -9.283  -0.497
   57    HD3  PRO   8           HD3      PRO   8   6.844  -7.674  -0.481
   58    H    CYS   9           H        CYS   9   2.306  -7.834   2.469
   59    HA   CYS   9           HA       CYS   9   2.145 -10.730   2.924
   60    HB2  CYS   9           HB2      CYS   9   0.197 -10.333   4.260
   61    HB3  CYS   9           HB3      CYS   9   1.431  -9.196   4.778
   62    H    TRP  10           H        TRP  10   0.962  -8.120   0.955
   63    HA   TRP  10           HA       TRP  10  -1.256  -9.492  -0.164
   64    HB2  TRP  10           HB2      TRP  10  -1.119  -7.706  -1.925
   65    HB3  TRP  10           HB3      TRP  10  -1.230  -7.106  -0.276
   66    HD1  TRP  10           HD1      TRP  10   0.856  -5.770   0.691
   67    HE1  TRP  10           HE1      TRP  10   2.919  -4.724  -0.441
   68    HE3  TRP  10           HE3      TRP  10   0.545  -8.083  -3.843
   69    HZ2  TRP  10           HZ2      TRP  10   4.241  -4.866  -2.933
   70    HZ3  TRP  10           HZ3      TRP  10   2.242  -7.575  -5.554
   71    HH2  TRP  10           HH2      TRP  10   4.052  -5.998  -5.105
   72    H    LEU  11           H        LEU  11   2.114  -9.729  -0.650
   73    HA   LEU  11           HA       LEU  11   1.947 -10.700  -3.361
   74    HB2  LEU  11           HB2      LEU  11   4.133 -10.292  -1.372
   75    HB3  LEU  11           HB3      LEU  11   4.416 -11.362  -2.735
   76    HG   LEU  11           HG       LEU  11   3.571  -8.471  -2.959
   77   HD11  LEU  11          HD11      LEU  11   6.131  -8.929  -4.063
   78   HD12  LEU  11          HD12      LEU  11   6.133  -9.624  -2.443
   79   HD13  LEU  11          HD13      LEU  11   5.704  -7.929  -2.676
   80   HD21  LEU  11          HD21      LEU  11   4.211 -10.610  -4.966
   81   HD22  LEU  11          HD22      LEU  11   4.371  -8.898  -5.357
   82   HD23  LEU  11          HD23      LEU  11   2.803  -9.552  -4.885
   83    H    VAL  12           H        VAL  12   1.632 -12.026  -0.221
   84    HA   VAL  12           HA       VAL  12   1.714 -14.734  -1.372
   85    HB   VAL  12           HB       VAL  12   2.497 -15.593   0.809
   86   HG11  VAL  12          HG11      VAL  12   4.459 -13.530  -0.127
   87   HG12  VAL  12          HG12      VAL  12   4.006 -14.892  -1.153
   88   HG13  VAL  12          HG13      VAL  12   4.755 -15.182   0.418
   89   HG21  VAL  12          HG21      VAL  12   2.237 -12.748   1.526
   90   HG22  VAL  12          HG22      VAL  12   3.684 -13.558   2.124
   91   HG23  VAL  12          HG23      VAL  12   2.089 -14.191   2.528
   92    H    GLU  13           H        GLU  13  -0.274 -12.448  -0.157
   93    HA   GLU  13           HA       GLU  13  -2.205 -14.458   0.740
   94    HB2  GLU  13           HB2      GLU  13  -1.658 -11.883   2.229
   95    HB3  GLU  13           HB3      GLU  13  -2.927 -13.037   2.608
   96    HG2  GLU  13           HG2      GLU  13  -1.551 -14.313   3.783
   97    HG3  GLU  13           HG3      GLU  13  -0.319 -14.289   2.526
   98    H    GLU  14           H        GLU  14  -4.418 -13.266   1.095
   99    HA   GLU  14           HA       GLU  14  -4.946 -11.831  -1.383
  100    HB2  GLU  14           HB2      GLU  14  -7.076 -12.480   0.611
  101    HB3  GLU  14           HB3      GLU  14  -7.172 -12.431  -1.141
  102    HG2  GLU  14           HG2      GLU  14  -5.676 -14.487  -1.125
  103    HG3  GLU  14           HG3      GLU  14  -6.027 -14.586   0.600
  104    H    PHE  15           H        PHE  15  -4.974  -9.687  -1.436
  105    HA   PHE  15           HA       PHE  15  -5.408  -8.231   1.077
  106    HB2  PHE  15           HB2      PHE  15  -4.047  -6.498   0.268
  107    HB3  PHE  15           HB3      PHE  15  -3.231  -7.968  -0.252
  108    HD1  PHE  15           HD1      PHE  15  -5.382  -5.190  -1.376
  109    HD2  PHE  15           HD2      PHE  15  -2.876  -8.425  -2.540
  110    HE1  PHE  15           HE1      PHE  15  -5.408  -4.370  -3.695
  111    HE2  PHE  15           HE2      PHE  15  -2.897  -7.611  -4.861
  112    HZ   PHE  15           HZ       PHE  15  -4.164  -5.581  -5.441
  113    H    VAL  16           H        VAL  16  -6.577  -6.231   1.024
  114    HA   VAL  16           HA       VAL  16  -8.472  -5.967  -1.195
  115    HB   VAL  16           HB       VAL  16 -10.244  -5.421   0.571
  116   HG11  VAL  16          HG11      VAL  16  -9.715  -7.672  -0.821
  117   HG12  VAL  16          HG12      VAL  16 -11.112  -7.475   0.239
  118   HG13  VAL  16          HG13      VAL  16  -9.667  -8.298   0.828
  119   HG21  VAL  16          HG21      VAL  16  -9.929  -5.905   2.759
  120   HG22  VAL  16          HG22      VAL  16  -8.238  -5.629   2.344
  121   HG23  VAL  16          HG23      VAL  16  -8.871  -7.275   2.417
  122    H    VAL  17           H        VAL  17  -8.323  -3.959  -1.959
  123    HA   VAL  17           HA       VAL  17  -6.941  -1.879  -0.695
  124    HB   VAL  17           HB       VAL  17  -9.062  -1.521  -2.811
  125   HG11  VAL  17          HG11      VAL  17  -6.739   0.130  -1.866
  126   HG12  VAL  17          HG12      VAL  17  -8.433   0.594  -2.018
  127   HG13  VAL  17          HG13      VAL  17  -7.451   0.357  -3.463
  128   HG21  VAL  17          HG21      VAL  17  -6.842  -3.154  -3.022
  129   HG22  VAL  17          HG22      VAL  17  -6.313  -1.637  -3.748
  130   HG23  VAL  17          HG23      VAL  17  -7.751  -2.453  -4.360
  131    H    ALA  18           H        ALA  18  -7.667  -1.471   1.365
  132    HA   ALA  18           HA       ALA  18 -10.459  -0.792   1.808
  133    HB1  ALA  18           HB1      ALA  18  -9.925  -0.724   4.130
  134    HB2  ALA  18           HB2      ALA  18  -8.195  -0.655   3.793
  135    HB3  ALA  18           HB3      ALA  18  -9.103  -2.128   3.448
  136    H    GLU  19           H        GLU  19  -7.380   0.751   1.380
  137    HA   GLU  19           HA       GLU  19  -8.699   3.372   1.511
  138    HB2  GLU  19           HB2      GLU  19  -5.905   2.842   2.534
  139    HB3  GLU  19           HB3      GLU  19  -6.805   4.348   2.636
  140    HG2  GLU  19           HG2      GLU  19  -8.354   2.325   3.875
  141    HG3  GLU  19           HG3      GLU  19  -6.705   2.202   4.485
  142    H    GLU  20           H        GLU  20  -8.643   4.130  -0.515
  143    HA   GLU  20           HA       GLU  20  -7.095   3.255  -2.610
  144    HB2  GLU  20           HB2      GLU  20  -8.201   6.024  -2.131
  145    HB3  GLU  20           HB3      GLU  20  -7.550   5.475  -3.668
  146    HG2  GLU  20           HG2      GLU  20  -9.281   3.870  -3.923
  147    HG3  GLU  20           HG3      GLU  20  -9.846   4.131  -2.273
  148    H    CYS  21           H        CYS  21  -5.394   4.583  -3.820
  149    HA   CYS  21           HA       CYS  21  -3.300   5.165  -1.893
  150    HB2  CYS  21           HB2      CYS  21  -1.742   4.975  -3.733
  151    HB3  CYS  21           HB3      CYS  21  -2.816   3.590  -3.717
  152    H    SER  22           H        SER  22  -2.173   7.053  -1.745
  153    HA   SER  22           HA       SER  22  -3.098   9.320  -3.370
  154    HB2  SER  22           HB2      SER  22  -3.230   8.997  -0.425
  155    HB3  SER  22           HB3      SER  22  -2.681  10.566  -1.013
  156    HG   SER  22           HG       SER  22  -4.959  10.472  -0.771
  157    HA   PRO  23           HA       PRO  23   1.007  10.741  -3.996
  158    HB2  PRO  23           HB2      PRO  23   0.977  13.202  -2.624
  159    HB3  PRO  23           HB3      PRO  23   0.600  12.939  -4.328
  160    HG2  PRO  23           HG2      PRO  23  -1.234  13.210  -1.999
  161    HG3  PRO  23           HG3      PRO  23  -1.457  13.738  -3.676
  162    HD2  PRO  23           HD2      PRO  23  -2.721  11.583  -2.732
  163    HD3  PRO  23           HD3      PRO  23  -2.083  11.614  -4.389
  164    H    CYS  24           H        CYS  24   3.043  11.168  -2.972
  165    HA   CYS  24           HA       CYS  24   3.090  10.336  -0.148
  166    HB2  CYS  24           HB2      CYS  24   5.211   9.998  -2.279
  167    HB3  CYS  24           HB3      CYS  24   5.352   9.466  -0.610
  168    H    SER  25           H        SER  25   3.624  11.875   1.247
  169    HA   SER  25           HA       SER  25   4.444  14.447   0.571
  170    HB2  SER  25           HB2      SER  25   3.569  13.296   2.852
  171    HB3  SER  25           HB3      SER  25   5.285  13.448   3.233
  172    HG   SER  25           HG       SER  25   3.750  15.602   2.224
  173    H    ASN  26           H        ASN  26   6.569  15.195   2.089
  174    HA   ASN  26           HA       ASN  26   8.760  14.672   0.441
  175    HB2  ASN  26           HB2      ASN  26   8.555  15.805   3.227
  176    HB3  ASN  26           HB3      ASN  26  10.098  15.659   2.392
  177   HD21  ASN  26          HD21      ASN  26  10.630  17.678   1.908
  178   HD22  ASN  26          HD22      ASN  26   9.640  18.793   1.035
  179    H    PHE  27           H        PHE  27   8.189  13.517   3.767
  180    HA   PHE  27           HA       PHE  27  10.366  11.643   3.601
  181    HB2  PHE  27           HB2      PHE  27   8.361  12.415   5.673
  182    HB3  PHE  27           HB3      PHE  27   9.169  10.859   5.834
  183    HD1  PHE  27           HD1      PHE  27  11.555  10.733   6.257
  184    HD2  PHE  27           HD2      PHE  27   9.565  14.482   5.942
  185    HE1  PHE  27           HE1      PHE  27  13.499  11.846   7.274
  186    HE2  PHE  27           HE2      PHE  27  11.506  15.602   6.956
  187    HZ   PHE  27           HZ       PHE  27  13.476  14.284   7.625
  188    H    ARG  28           H        ARG  28   6.935  11.594   3.073
  189    HA   ARG  28           HA       ARG  28   6.406   8.867   3.355
  190    HB2  ARG  28           HB2      ARG  28   4.917  11.040   2.725
  191    HB3  ARG  28           HB3      ARG  28   5.018  10.264   1.152
  192    HG2  ARG  28           HG2      ARG  28   3.962   9.045   3.693
  193    HG3  ARG  28           HG3      ARG  28   3.023   9.547   2.285
  194    HD2  ARG  28           HD2      ARG  28   3.943   7.831   0.942
  195    HD3  ARG  28           HD3      ARG  28   5.195   7.473   2.132
  196    HE   ARG  28           HE       ARG  28   2.483   6.515   2.121
  197   HH11  ARG  28          HH11      ARG  28   5.279   7.173   4.104
  198   HH12  ARG  28          HH12      ARG  28   4.824   6.048   5.338
  199   HH21  ARG  28          HH21      ARG  28   1.884   5.035   3.744
  200   HH22  ARG  28          HH22      ARG  28   2.897   4.833   5.134
  201    H    ALA  29           H        ALA  29   7.331  10.693   0.440
  202    HA   ALA  29           HA       ALA  29   7.502   8.355  -1.193
  203    HB1  ALA  29           HB1      ALA  29   7.880   9.770  -2.929
  204    HB2  ALA  29           HB2      ALA  29   8.936  10.823  -1.986
  205    HB3  ALA  29           HB3      ALA  29   7.186  10.925  -1.791
  206    H    LYS  30           H        LYS  30   9.703  10.056   0.884
  207    HA   LYS  30           HA       LYS  30  12.077   8.894  -0.256
  208    HB2  LYS  30           HB2      LYS  30  11.437  10.802   1.889
  209    HB3  LYS  30           HB3      LYS  30  12.847   9.799   2.202
  210    HG2  LYS  30           HG2      LYS  30  13.828  11.558   1.141
  211    HG3  LYS  30           HG3      LYS  30  13.492  10.515  -0.243
  212    HD2  LYS  30           HD2      LYS  30  11.281  11.788  -0.434
  213    HD3  LYS  30           HD3      LYS  30  12.004  12.961   0.668
  214    HE2  LYS  30           HE2      LYS  30  12.730  13.925  -1.232
  215    HE3  LYS  30           HE3      LYS  30  13.992  12.696  -1.141
  216    HZ1  LYS  30           HZ1      LYS  30  11.525  12.646  -2.780
  217    HZ2  LYS  30           HZ2      LYS  30  12.474  11.269  -2.521
  218    HZ3  LYS  30           HZ3      LYS  30  13.128  12.611  -3.315
  219    H    THR  31           H        THR  31   9.777   8.029   2.185
  220    HA   THR  31           HA       THR  31  11.548   5.926   3.204
  221    HB   THR  31           HB       THR  31   8.828   6.611   4.295
  222    HG1  THR  31           HG1      THR  31  11.301   7.891   4.774
  223   HG21  THR  31          HG21      THR  31  10.170   4.549   5.036
  224   HG22  THR  31          HG22      THR  31   9.496   5.614   6.270
  225   HG23  THR  31          HG23      THR  31  11.208   5.712   5.860
  226    H    THR  32           H        THR  32   8.595   6.448   1.421
  227    HA   THR  32           HA       THR  32   8.086   3.563   1.343
  228    HB   THR  32           HB       THR  32   6.354   5.857   0.407
  229    HG1  THR  32           HG1      THR  32   6.370   4.310   2.770
  230   HG21  THR  32          HG21      THR  32   5.342   4.232  -0.761
  231   HG22  THR  32          HG22      THR  32   4.647   3.830   0.809
  232   HG23  THR  32          HG23      THR  32   6.049   2.941   0.212
  233    HA   PRO  33           HA       PRO  33  10.010   3.721  -2.724
  234    HB2  PRO  33           HB2      PRO  33   9.978   1.065  -3.196
  235    HB3  PRO  33           HB3      PRO  33  11.144   1.821  -2.106
  236    HG2  PRO  33           HG2      PRO  33   8.615   0.358  -1.458
  237    HG3  PRO  33           HG3      PRO  33  10.197   0.265  -0.662
  238    HD2  PRO  33           HD2      PRO  33   8.115   1.729   0.313
  239    HD3  PRO  33           HD3      PRO  33   9.816   2.153   0.588
  240    H    GLU  34           H        GLU  34   6.843   2.946  -1.881
  241    HA   GLU  34           HA       GLU  34   6.035   2.160  -4.564
  242    HB2  GLU  34           HB2      GLU  34   4.733   2.230  -1.885
  243    HB3  GLU  34           HB3      GLU  34   3.699   2.349  -3.302
  244    HG2  GLU  34           HG2      GLU  34   3.694   0.121  -3.226
  245    HG3  GLU  34           HG3      GLU  34   5.281   0.254  -3.982
  246    H    CYS  35           H        CYS  35   7.164   4.726  -4.389
  247    HA   CYS  35           HA       CYS  35   4.842   6.367  -5.117
  248    HB2  CYS  35           HB2      CYS  35   7.253   7.458  -3.668
  249    HB3  CYS  35           HB3      CYS  35   5.741   8.288  -4.018
  250    H    GLY  36           H        GLY  36   7.344   4.836  -6.353
  251    HA2  GLY  36           HA2      GLY  36   8.657   6.943  -7.811
  252    HA3  GLY  36           HA3      GLY  36   8.896   5.218  -8.026
  253    HA   PRO  37           HA       PRO  37   6.185   5.196 -11.500
  254    HB2  PRO  37           HB2      PRO  37   4.157   3.454 -11.043
  255    HB3  PRO  37           HB3      PRO  37   5.829   2.945 -11.295
  256    HG2  PRO  37           HG2      PRO  37   4.270   3.146  -8.770
  257    HG3  PRO  37           HG3      PRO  37   5.523   1.987  -9.231
  258    HD2  PRO  37           HD2      PRO  37   5.899   4.169  -7.570
  259    HD3  PRO  37           HD3      PRO  37   7.185   3.303  -8.428
  260    H    THR  38           H        THR  38   3.310   4.553  -9.578
  261    HA   THR  38           HA       THR  38   1.885   6.685 -10.786
  262    HB   THR  38           HB       THR  38   0.686   4.715 -10.073
  263    HG1  THR  38           HG1      THR  38  -0.022   6.841  -8.345
  264   HG21  THR  38          HG21      THR  38   0.595   5.058  -7.252
  265   HG22  THR  38          HG22      THR  38   2.268   4.845  -7.762
  266   HG23  THR  38          HG23      THR  38   1.056   3.638  -8.190
  267    H    GLY  39           H        GLY  39   3.681   6.355  -7.813
  268    HA2  GLY  39           HA2      GLY  39   4.449   8.046  -6.414
  269    HA3  GLY  39           HA3      GLY  39   3.530   9.208  -7.363
  270    H    TYR  40           H        TYR  40   1.444   6.785  -6.711
  271    HA   TYR  40           HA       TYR  40   0.412   8.108  -4.295
  272    HB2  TYR  40           HB2      TYR  40  -0.984   6.746  -6.600
  273    HB3  TYR  40           HB3      TYR  40  -1.798   7.093  -5.083
  274    HD1  TYR  40           HD1      TYR  40   0.561   9.119  -7.164
  275    HD2  TYR  40           HD2      TYR  40  -3.314   8.792  -5.441
  276    HE1  TYR  40           HE1      TYR  40   0.014  11.370  -7.983
  277    HE2  TYR  40           HE2      TYR  40  -3.872  11.043  -6.256
  278    HH   TYR  40           HH       TYR  40  -3.107  12.577  -8.098
  279    H    VAL  41           H        VAL  41   0.181   6.872  -2.486
  280    HA   VAL  41           HA       VAL  41   0.514   3.961  -2.808
  281    HB   VAL  41           HB       VAL  41   1.487   3.888  -0.573
  282   HG11  VAL  41          HG11      VAL  41   3.140   3.990  -2.187
  283   HG12  VAL  41          HG12      VAL  41   3.567   5.331  -1.125
  284   HG13  VAL  41          HG13      VAL  41   2.733   5.643  -2.647
  285   HG21  VAL  41          HG21      VAL  41   0.820   5.566   0.779
  286   HG22  VAL  41          HG22      VAL  41   0.661   6.713  -0.551
  287   HG23  VAL  41          HG23      VAL  41   2.248   6.382   0.142
  288    H    GLU  42           H        GLU  42  -0.968   2.636  -1.979
  289    HA   GLU  42           HA       GLU  42  -3.205   3.835  -0.491
  290    HB2  GLU  42           HB2      GLU  42  -4.375   1.657  -1.281
  291    HB3  GLU  42           HB3      GLU  42  -4.128   2.954  -2.432
  292    HG2  GLU  42           HG2      GLU  42  -3.584   0.953  -3.531
  293    HG3  GLU  42           HG3      GLU  42  -2.062   1.771  -3.194
  294    H    LYS  43           H        LYS  43  -4.448   1.929   0.705
  295    HA   LYS  43           HA       LYS  43  -2.474   0.444   2.307
  296    HB2  LYS  43           HB2      LYS  43  -4.020   2.552   3.221
  297    HB3  LYS  43           HB3      LYS  43  -4.923   1.136   3.737
  298    HG2  LYS  43           HG2      LYS  43  -3.230   0.391   5.117
  299    HG3  LYS  43           HG3      LYS  43  -1.989   1.307   4.258
  300    HD2  LYS  43           HD2      LYS  43  -2.338   3.157   5.484
  301    HD3  LYS  43           HD3      LYS  43  -4.091   2.961   5.454
  302    HE2  LYS  43           HE2      LYS  43  -4.126   1.896   7.432
  303    HE3  LYS  43           HE3      LYS  43  -2.677   0.961   7.062
  304    HZ1  LYS  43           HZ1      LYS  43  -1.301   2.707   7.761
  305    HZ2  LYS  43           HZ2      LYS  43  -2.509   2.612   8.942
  306    HZ3  LYS  43           HZ3      LYS  43  -2.564   3.832   7.773
  307    H    ILE  44           H        ILE  44  -2.743  -1.620   1.748
  308    HA   ILE  44           HA       ILE  44  -5.490  -2.650   1.480
  309    HB   ILE  44           HB       ILE  44  -4.380  -4.566   0.226
  310   HG12  ILE  44          HG12      ILE  44  -2.235  -3.686  -0.970
  311   HG13  ILE  44          HG13      ILE  44  -2.079  -2.650   0.442
  312   HG21  ILE  44          HG21      ILE  44  -4.030  -2.981  -1.843
  313   HG22  ILE  44          HG22      ILE  44  -4.723  -1.783  -0.751
  314   HG23  ILE  44          HG23      ILE  44  -5.629  -3.242  -1.149
  315   HD11  ILE  44          HD11      ILE  44  -2.573  -5.442   1.104
  316   HD12  ILE  44          HD12      ILE  44  -1.355  -4.324   1.716
  317   HD13  ILE  44          HD13      ILE  44  -1.085  -5.177   0.196
  318    H    THR  45           H        THR  45  -6.171  -4.212   2.810
  319    HA   THR  45           HA       THR  45  -4.273  -5.226   4.799
  320    HB   THR  45           HB       THR  45  -7.246  -5.608   4.950
  321    HG1  THR  45           HG1      THR  45  -7.357  -3.500   4.837
  322   HG21  THR  45          HG21      THR  45  -6.726  -5.175   7.398
  323   HG22  THR  45          HG22      THR  45  -5.033  -5.385   6.955
  324   HG23  THR  45          HG23      THR  45  -6.178  -6.704   6.711
  325    H    CYS  46           H        CYS  46  -3.886  -7.379   5.099
  326    HA   CYS  46           HA       CYS  46  -4.829  -9.144   2.972
  327    HB2  CYS  46           HB2      CYS  46  -2.581  -9.406   4.973
  328    HB3  CYS  46           HB3      CYS  46  -3.054 -10.697   3.882
  329    H    SER  47           H        SER  47  -6.496 -10.433   3.320
  330    HA   SER  47           HA       SER  47  -7.885 -10.762   5.669
  331    HB2  SER  47           HB2      SER  47  -8.907 -11.442   3.615
  332    HB3  SER  47           HB3      SER  47  -7.626 -12.610   3.291
  333    HG   SER  47           HG       SER  47  -9.131 -13.873   4.144
  334    H    SER  48           H        SER  48  -5.011 -12.372   4.577
  335    HA   SER  48           HA       SER  48  -5.114 -14.381   6.658
  336    HB2  SER  48           HB2      SER  48  -3.648 -13.996   4.192
  337    HB3  SER  48           HB3      SER  48  -2.549 -14.384   5.515
  338    HG   SER  48           HG       SER  48  -3.926 -16.198   5.961
  339    H    SER  49           H        SER  49  -4.865 -13.538   8.610
  340    HA   SER  49           HA       SER  49  -3.713 -12.836  10.454
  341    HB2  SER  49           HB2      SER  49  -1.583 -12.836   8.453
  342    HB3  SER  49           HB3      SER  49  -1.384 -11.559   9.649
  343    HG   SER  49           HG       SER  49  -1.090 -13.012  11.178
  344    H    LYS  50           H        LYS  50  -5.141 -11.090   8.197
  345    HA   LYS  50           HA       LYS  50  -5.675  -8.884   7.864
  346    HB2  LYS  50           HB2      LYS  50  -5.890  -9.506  10.734
  347    HB3  LYS  50           HB3      LYS  50  -5.835  -7.789  10.362
  348    HG2  LYS  50           HG2      LYS  50  -7.725  -9.645   8.959
  349    HG3  LYS  50           HG3      LYS  50  -8.122  -8.898  10.509
  350    HD2  LYS  50           HD2      LYS  50  -7.089  -7.055   8.464
  351    HD3  LYS  50           HD3      LYS  50  -8.648  -7.789   8.088
  352    HE2  LYS  50           HE2      LYS  50  -9.035  -7.102  10.671
  353    HE3  LYS  50           HE3      LYS  50  -7.921  -5.832  10.168
  354    HZ1  LYS  50           HZ1      LYS  50 -10.542  -5.670   9.841
  355    HZ2  LYS  50           HZ2      LYS  50 -10.135  -6.396   8.367
  356    HZ3  LYS  50           HZ3      LYS  50  -9.443  -4.915   8.801
  357    H    ARG  51           H        ARG  51  -3.499  -8.558   6.923
  358    HA   ARG  51           HA       ARG  51  -1.883  -6.752   8.589
  359    HB2  ARG  51           HB2      ARG  51  -1.135  -9.096   7.190
  360    HB3  ARG  51           HB3      ARG  51  -0.381  -7.743   6.371
  361    HG2  ARG  51           HG2      ARG  51   0.598  -7.011   8.492
  362    HG3  ARG  51           HG3      ARG  51  -0.147  -8.391   9.300
  363    HD2  ARG  51           HD2      ARG  51   1.125  -9.912   7.861
  364    HD3  ARG  51           HD3      ARG  51   1.873  -8.529   7.063
  365    HE   ARG  51           HE       ARG  51   2.480  -8.132   9.664
  366   HH11  ARG  51          HH11      ARG  51   2.847 -10.869   7.530
  367   HH12  ARG  51          HH12      ARG  51   4.255 -11.470   8.339
  368   HH21  ARG  51          HH21      ARG  51   4.333  -8.921  10.728
  369   HH22  ARG  51          HH22      ARG  51   5.099 -10.364  10.154
  370    H    ASN  52           H        ASN  52  -1.886  -4.721   7.986
  371    HA   ASN  52           HA       ASN  52  -2.837  -3.994   5.328
  372    HB2  ASN  52           HB2      ASN  52  -2.950  -1.705   6.218
  373    HB3  ASN  52           HB3      ASN  52  -3.813  -2.835   7.258
  374   HD21  ASN  52          HD21      ASN  52  -2.906  -3.411   9.256
  375   HD22  ASN  52          HD22      ASN  52  -1.705  -2.429  10.015
  376    H    GLU  53           H        GLU  53  -1.327  -3.999   3.796
  377    HA   GLU  53           HA       GLU  53   1.379  -3.092   4.450
  378    HB2  GLU  53           HB2      GLU  53   0.252  -5.039   2.612
  379    HB3  GLU  53           HB3      GLU  53   1.375  -3.957   1.803
  380    HG2  GLU  53           HG2      GLU  53   1.918  -5.715   4.181
  381    HG3  GLU  53           HG3      GLU  53   2.575  -5.873   2.553
  382    H    PHE  54           H        PHE  54   2.506  -1.793   2.763
  383    HA   PHE  54           HA       PHE  54   0.705   0.319   1.799
  384    HB2  PHE  54           HB2      PHE  54   3.589   0.298   2.639
  385    HB3  PHE  54           HB3      PHE  54   2.977   1.577   1.596
  386    HD1  PHE  54           HD1      PHE  54   0.550   2.468   2.522
  387    HD2  PHE  54           HD2      PHE  54   3.733   0.861   4.846
  388    HE1  PHE  54           HE1      PHE  54  -0.285   3.676   4.495
  389    HE2  PHE  54           HE2      PHE  54   2.903   2.066   6.823
  390    HZ   PHE  54           HZ       PHE  54   0.891   3.476   6.650
  391    H    LYS  55           H        LYS  55   0.168   0.078  -0.266
  392    HA   LYS  55           HA       LYS  55   2.259  -0.764  -2.165
  393    HB2  LYS  55           HB2      LYS  55  -0.142  -2.047  -1.630
  394    HB3  LYS  55           HB3      LYS  55  -0.476  -1.142  -3.102
  395    HG2  LYS  55           HG2      LYS  55   1.087  -2.314  -4.332
  396    HG3  LYS  55           HG3      LYS  55   2.005  -2.793  -2.904
  397    HD2  LYS  55           HD2      LYS  55   0.877  -4.730  -3.718
  398    HD3  LYS  55           HD3      LYS  55   0.059  -4.223  -2.239
  399    HE2  LYS  55           HE2      LYS  55  -1.861  -4.110  -3.346
  400    HE3  LYS  55           HE3      LYS  55  -1.176  -2.883  -4.409
  401    HZ1  LYS  55           HZ1      LYS  55  -0.728  -5.771  -4.864
  402    HZ2  LYS  55           HZ2      LYS  55  -0.521  -4.493  -5.954
  403    HZ3  LYS  55           HZ3      LYS  55  -2.078  -4.967  -5.492
  404    H    SER  56           H        SER  56   1.467  -0.127  -4.511
  405    HA   SER  56           HA       SER  56   0.639   2.702  -4.413
  406    HB2  SER  56           HB2      SER  56   3.097   1.826  -5.186
  407    HB3  SER  56           HB3      SER  56   2.248   1.811  -6.732
  408    HG   SER  56           HG       SER  56   3.333   3.865  -5.687
  409    H    CYS  57           H        CYS  57  -1.046   3.295  -5.699
  410    HA   CYS  57           HA       CYS  57  -1.929   1.343  -7.723
  411    HB2  CYS  57           HB2      CYS  57  -4.106   1.334  -6.997
  412    HB3  CYS  57           HB3      CYS  57  -3.278   1.540  -5.465
  413    H    ARG  58           H        ARG  58  -3.911   2.564  -8.964
  414    HA   ARG  58           HA       ARG  58  -2.625   4.961 -10.064
  415    HB2  ARG  58           HB2      ARG  58  -4.886   3.559 -11.429
  416    HB3  ARG  58           HB3      ARG  58  -3.548   4.458 -12.127
  417    HG2  ARG  58           HG2      ARG  58  -2.642   2.491 -12.605
  418    HG3  ARG  58           HG3      ARG  58  -2.305   2.337 -10.880
  419    HD2  ARG  58           HD2      ARG  58  -5.026   1.586 -11.718
  420    HD3  ARG  58           HD3      ARG  58  -3.735   0.547 -12.318
  421    HE   ARG  58           HE       ARG  58  -3.203   0.820  -9.658
  422   HH11  ARG  58          HH11      ARG  58  -5.966  -0.240 -11.507
  423   HH12  ARG  58          HH12      ARG  58  -6.522  -1.333 -10.284
  424   HH21  ARG  58          HH21      ARG  58  -3.932  -0.618  -8.049
  425   HH22  ARG  58          HH22      ARG  58  -5.368  -1.547  -8.321
  426    H    SER  59           H        SER  59  -3.478   6.882  -9.661
  427    HA   SER  59           HA       SER  59  -6.013   7.099  -8.306
  428    HB2  SER  59           HB2      SER  59  -3.653   8.698  -8.567
  429    HB3  SER  59           HB3      SER  59  -5.048   9.672  -9.028
  430    HG   SER  59           HG       SER  59  -4.997   8.117  -6.666
  431    H    ALA  60           H        ALA  60  -4.874   7.361 -11.546
  432    HA   ALA  60           HA       ALA  60  -6.675   9.141 -12.682
  433    HB1  ALA  60           HB1      ALA  60  -4.982   8.473 -14.103
  434    HB2  ALA  60           HB2      ALA  60  -6.372   7.604 -14.752
  435    HB3  ALA  60           HB3      ALA  60  -5.204   6.763 -13.734
  436    H    LEU  61           H        LEU  61  -7.231   5.970 -11.428
  437    HA   LEU  61           HA       LEU  61  -9.925   5.960 -12.618
  438    HB2  LEU  61           HB2      LEU  61  -8.024   3.781 -11.893
  439    HB3  LEU  61           HB3      LEU  61  -9.744   3.461 -11.764
  440    HG   LEU  61           HG       LEU  61  -9.756   4.421 -14.234
  441   HD11  LEU  61          HD11      LEU  61  -7.822   4.371 -15.390
  442   HD12  LEU  61          HD12      LEU  61  -7.176   3.015 -14.466
  443   HD13  LEU  61          HD13      LEU  61  -7.114   4.646 -13.798
  444   HD21  LEU  61          HD21      LEU  61  -9.451   2.078 -15.033
  445   HD22  LEU  61          HD22      LEU  61 -10.572   2.243 -13.682
  446   HD23  LEU  61          HD23      LEU  61  -8.937   1.644 -13.402
  447    H    MET  62           H        MET  62  -8.069   5.811  -9.671
  448    HA   MET  62           HA       MET  62 -10.281   5.132  -7.988
  449    HB2  MET  62           HB2      MET  62  -7.535   6.228  -7.374
  450    HB3  MET  62           HB3      MET  62  -8.709   5.795  -6.139
  451    HG2  MET  62           HG2      MET  62  -7.479   3.940  -8.164
  452    HG3  MET  62           HG3      MET  62  -7.103   4.020  -6.444
  453    HE1  MET  62           HE1      MET  62  -8.271   2.040  -4.847
  454    HE2  MET  62           HE2      MET  62  -7.298   1.639  -6.262
  455    HE3  MET  62           HE3      MET  62  -8.807   0.779  -5.957
  456    H    GLU  63           H        GLU  63  -8.338   8.111  -8.285
  457    HA   GLU  63           HA       GLU  63 -10.753   9.707  -7.988
  458    HB2  GLU  63           HB2      GLU  63  -9.467   9.159  -5.711
  459    HB3  GLU  63           HB3      GLU  63  -8.486  10.518  -6.242
  460    HG2  GLU  63           HG2      GLU  63 -10.076  11.535  -4.927
  461    HG3  GLU  63           HG3      GLU  63 -10.747  11.728  -6.545
  462    H    GLN  64           H        GLN  64 -10.384  10.408 -10.096
  463    HA   GLN  64           HA       GLN  64  -7.970  12.053 -10.485
  464    HB2  GLN  64           HB2      GLN  64  -8.319  10.056 -12.011
  465    HB3  GLN  64           HB3      GLN  64  -9.712  10.906 -12.666
  466    HG2  GLN  64           HG2      GLN  64  -8.002  11.384 -14.160
  467    HG3  GLN  64           HG3      GLN  64  -8.093  12.822 -13.142
  468   HE21  GLN  64          HE21      GLN  64  -6.004  10.853 -14.618
  469   HE22  GLN  64          HE22      GLN  64  -4.639  10.994 -13.568
  470    H    ARG  65           H        ARG  65  -8.653  14.026  -9.783
  471    HA   ARG  65           HA       ARG  65 -11.217  15.112 -10.265
  472    HB2  ARG  65           HB2      ARG  65  -8.594  16.434  -9.556
  473    HB3  ARG  65           HB3      ARG  65 -10.131  17.285  -9.618
  474    HG2  ARG  65           HG2      ARG  65 -10.175  16.807  -7.425
  475    HG3  ARG  65           HG3      ARG  65 -10.791  15.252  -7.986
  476    HD2  ARG  65           HD2      ARG  65  -8.665  14.234  -7.794
  477    HD3  ARG  65           HD3      ARG  65  -7.857  15.789  -7.605
  478    HE   ARG  65           HE       ARG  65  -9.741  15.350  -5.525
  479   HH11  ARG  65          HH11      ARG  65  -6.552  14.438  -6.606
  480   HH12  ARG  65          HH12      ARG  65  -5.974  14.088  -5.012
  481   HH21  ARG  65          HH21      ARG  65  -8.985  14.889  -3.427
  482   HH22  ARG  65          HH22      ARG  65  -7.357  14.343  -3.207
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1  13.885  -3.354   8.608
    2    H2   GLY   1           H2       GLY   1  13.581  -2.686  10.133
    3    H3   GLY   1           H3       GLY   1  12.690  -4.023   9.602
    4    HA2  GLY   1           HA2      GLY   1  14.645  -4.343  11.263
    5    HA3  GLY   1           HA3      GLY   1  14.357  -5.507   9.980
    6    H    SER   2           H        SER   2  15.382  -4.422   7.775
    7    HA   SER   2           HA       SER   2  17.318  -4.099   6.627
    8    HB2  SER   2           HB2      SER   2  17.172  -1.936   8.044
    9    HB3  SER   2           HB3      SER   2  18.449  -2.664   9.018
   10    HG   SER   2           HG       SER   2  18.593  -1.491   6.573
   11    H    GLY   3           H        GLY   3  18.466  -5.886   6.284
   12    HA2  GLY   3           HA2      GLY   3  20.790  -6.663   7.231
   13    HA3  GLY   3           HA3      GLY   3  19.765  -7.221   8.544
   14    H    MET   4           H        MET   4  17.552  -7.910   6.748
   15    HA   MET   4           HA       MET   4  18.694 -10.098   5.174
   16    HB2  MET   4           HB2      MET   4  16.397 -10.572   7.067
   17    HB3  MET   4           HB3      MET   4  17.324 -11.767   6.170
   18    HG2  MET   4           HG2      MET   4  19.326 -11.039   7.533
   19    HG3  MET   4           HG3      MET   4  18.188 -10.155   8.549
   20    HE1  MET   4           HE1      MET   4  17.763 -12.305  11.180
   21    HE2  MET   4           HE2      MET   4  16.227 -12.010  10.364
   22    HE3  MET   4           HE3      MET   4  17.479 -10.767  10.363
   23    H    LYS   5           H        LYS   5  16.877 -11.246   3.927
   24    HA   LYS   5           HA       LYS   5  15.568  -9.330   2.322
   25    HB2  LYS   5           HB2      LYS   5  14.481 -11.296   1.255
   26    HB3  LYS   5           HB3      LYS   5  16.228 -11.449   1.381
   27    HG2  LYS   5           HG2      LYS   5  15.736 -13.498   2.147
   28    HG3  LYS   5           HG3      LYS   5  15.475 -12.650   3.674
   29    HD2  LYS   5           HD2      LYS   5  13.079 -12.431   3.098
   30    HD3  LYS   5           HD3      LYS   5  13.371 -13.372   1.634
   31    HE2  LYS   5           HE2      LYS   5  12.690 -15.052   3.012
   32    HE3  LYS   5           HE3      LYS   5  14.413 -15.069   3.381
   33    HZ1  LYS   5           HZ1      LYS   5  14.053 -13.895   5.370
   34    HZ2  LYS   5           HZ2      LYS   5  12.856 -15.089   5.338
   35    HZ3  LYS   5           HZ3      LYS   5  12.465 -13.489   4.955
   36    H    GLU   6           H        GLU   6  13.536  -8.537   2.327
   37    HA   GLU   6           HA       GLU   6  11.605  -9.655   4.236
   38    HB2  GLU   6           HB2      GLU   6  12.669  -6.878   4.108
   39    HB3  GLU   6           HB3      GLU   6  10.958  -7.076   4.462
   40    HG2  GLU   6           HG2      GLU   6  12.079  -8.883   6.159
   41    HG3  GLU   6           HG3      GLU   6  13.303  -7.614   6.123
   42    H    PHE   7           H        PHE   7   9.477  -9.584   3.608
   43    HA   PHE   7           HA       PHE   7   8.858  -8.292   1.046
   44    HB2  PHE   7           HB2      PHE   7   7.329 -10.506   0.821
   45    HB3  PHE   7           HB3      PHE   7   8.938 -10.367   0.125
   46    HD1  PHE   7           HD1      PHE   7   7.117 -11.557   3.132
   47    HD2  PHE   7           HD2      PHE   7  10.619 -11.860   0.731
   48    HE1  PHE   7           HE1      PHE   7   7.838 -13.515   4.436
   49    HE2  PHE   7           HE2      PHE   7  11.345 -13.818   2.031
   50    HZ   PHE   7           HZ       PHE   7   9.954 -14.648   3.887
   51    HA   PRO   8           HA       PRO   8   5.057  -7.216   3.040
   52    HB2  PRO   8           HB2      PRO   8   3.396  -6.859   0.999
   53    HB3  PRO   8           HB3      PRO   8   4.869  -5.887   1.129
   54    HG2  PRO   8           HG2      PRO   8   4.320  -8.273  -0.591
   55    HG3  PRO   8           HG3      PRO   8   5.176  -6.778  -0.997
   56    HD2  PRO   8           HD2      PRO   8   6.391  -9.162  -0.266
   57    HD3  PRO   8           HD3      PRO   8   7.152  -7.563  -0.183
   58    H    CYS   9           H        CYS   9   2.466  -7.696   2.533
   59    HA   CYS   9           HA       CYS   9   2.238 -10.598   2.921
   60    HB2  CYS   9           HB2      CYS   9   0.252 -10.204   4.185
   61    HB3  CYS   9           HB3      CYS   9   1.458  -9.062   4.762
   62    H    TRP  10           H        TRP  10   1.198  -7.930   0.952
   63    HA   TRP  10           HA       TRP  10  -0.977  -9.252  -0.316
   64    HB2  TRP  10           HB2      TRP  10  -0.689  -7.424  -2.046
   65    HB3  TRP  10           HB3      TRP  10  -0.969  -6.879  -0.399
   66    HD1  TRP  10           HD1      TRP  10   1.008  -5.587   0.827
   67    HE1  TRP  10           HE1      TRP  10   3.157  -4.479  -0.056
   68    HE3  TRP  10           HE3      TRP  10   1.147  -7.686  -3.827
   69    HZ2  TRP  10           HZ2      TRP  10   4.708  -4.495  -2.417
   70    HZ3  TRP  10           HZ3      TRP  10   2.994  -7.087  -5.340
   71    HH2  TRP  10           HH2      TRP  10   4.736  -5.524  -4.647
   72    H    LEU  11           H        LEU  11   2.384  -9.609  -0.576
   73    HA   LEU  11           HA       LEU  11   2.355 -10.472  -3.339
   74    HB2  LEU  11           HB2      LEU  11   4.451 -10.139  -1.239
   75    HB3  LEU  11           HB3      LEU  11   4.788 -11.155  -2.629
   76    HG   LEU  11           HG       LEU  11   3.993  -8.245  -2.749
   77   HD11  LEU  11          HD11      LEU  11   6.506  -9.464  -2.218
   78   HD12  LEU  11          HD12      LEU  11   6.134  -7.755  -2.446
   79   HD13  LEU  11          HD13      LEU  11   6.566  -8.754  -3.832
   80   HD21  LEU  11          HD21      LEU  11   4.852  -8.601  -5.155
   81   HD22  LEU  11          HD22      LEU  11   3.233  -9.170  -4.744
   82   HD23  LEU  11          HD23      LEU  11   4.572 -10.314  -4.838
   83    H    VAL  12           H        VAL  12   2.026 -11.870  -0.205
   84    HA   VAL  12           HA       VAL  12   2.113 -14.554  -1.421
   85    HB   VAL  12           HB       VAL  12   2.773 -15.457   0.778
   86   HG11  VAL  12          HG11      VAL  12   4.688 -13.336  -0.182
   87   HG12  VAL  12          HG12      VAL  12   4.439 -14.890  -0.978
   88   HG13  VAL  12          HG13      VAL  12   5.087 -14.833   0.661
   89   HG21  VAL  12          HG21      VAL  12   2.376 -12.663   1.567
   90   HG22  VAL  12          HG22      VAL  12   3.861 -13.390   2.182
   91   HG23  VAL  12          HG23      VAL  12   2.302 -14.138   2.531
   92    H    GLU  13           H        GLU  13   0.097 -12.267  -0.178
   93    HA   GLU  13           HA       GLU  13  -1.917 -14.288   0.497
   94    HB2  GLU  13           HB2      GLU  13  -1.476 -11.772   2.115
   95    HB3  GLU  13           HB3      GLU  13  -2.714 -12.984   2.394
   96    HG2  GLU  13           HG2      GLU  13  -1.345 -14.244   3.588
   97    HG3  GLU  13           HG3      GLU  13  -0.066 -14.144   2.381
   98    H    GLU  14           H        GLU  14  -4.144 -13.227   0.629
   99    HA   GLU  14           HA       GLU  14  -4.481 -11.600  -1.747
  100    HB2  GLU  14           HB2      GLU  14  -6.665 -12.511   0.116
  101    HB3  GLU  14           HB3      GLU  14  -6.798 -12.081  -1.582
  102    HG2  GLU  14           HG2      GLU  14  -5.529 -14.538  -0.409
  103    HG3  GLU  14           HG3      GLU  14  -6.978 -14.440  -1.406
  104    H    PHE  15           H        PHE  15  -4.765  -9.464  -1.747
  105    HA   PHE  15           HA       PHE  15  -5.255  -8.148   0.840
  106    HB2  PHE  15           HB2      PHE  15  -3.929  -6.315   0.139
  107    HB3  PHE  15           HB3      PHE  15  -3.026  -7.757  -0.308
  108    HD1  PHE  15           HD1      PHE  15  -5.149  -5.035  -1.608
  109    HD2  PHE  15           HD2      PHE  15  -2.491  -8.219  -2.563
  110    HE1  PHE  15           HE1      PHE  15  -5.011  -4.220  -3.925
  111    HE2  PHE  15           HE2      PHE  15  -2.349  -7.409  -4.882
  112    HZ   PHE  15           HZ       PHE  15  -3.611  -5.407  -5.565
  113    H    VAL  16           H        VAL  16  -6.547  -6.277   0.905
  114    HA   VAL  16           HA       VAL  16  -8.336  -5.907  -1.398
  115    HB   VAL  16           HB       VAL  16 -10.175  -5.473   0.311
  116   HG11  VAL  16          HG11      VAL  16 -10.669  -7.385  -0.782
  117   HG12  VAL  16          HG12      VAL  16 -10.241  -8.131   0.758
  118   HG13  VAL  16          HG13      VAL  16  -9.057  -8.061  -0.547
  119   HG21  VAL  16          HG21      VAL  16  -8.837  -7.295   2.201
  120   HG22  VAL  16          HG22      VAL  16  -9.912  -5.929   2.504
  121   HG23  VAL  16          HG23      VAL  16  -8.207  -5.648   2.148
  122    H    VAL  17           H        VAL  17  -8.278  -3.861  -2.070
  123    HA   VAL  17           HA       VAL  17  -6.918  -1.808  -0.751
  124    HB   VAL  17           HB       VAL  17  -9.111  -1.405  -2.785
  125   HG11  VAL  17          HG11      VAL  17  -6.985   0.292  -1.617
  126   HG12  VAL  17          HG12      VAL  17  -8.596   0.725  -2.190
  127   HG13  VAL  17          HG13      VAL  17  -7.289   0.465  -3.345
  128   HG21  VAL  17          HG21      VAL  17  -7.809  -2.820  -4.000
  129   HG22  VAL  17          HG22      VAL  17  -6.360  -2.475  -3.057
  130   HG23  VAL  17          HG23      VAL  17  -6.908  -1.330  -4.280
  131    H    ALA  18           H        ALA  18  -7.597  -1.513   1.350
  132    HA   ALA  18           HA       ALA  18 -10.382  -0.962   1.930
  133    HB1  ALA  18           HB1      ALA  18  -8.052  -0.694   3.817
  134    HB2  ALA  18           HB2      ALA  18  -8.838  -2.234   3.471
  135    HB3  ALA  18           HB3      ALA  18  -9.754  -0.924   4.216
  136    H    GLU  19           H        GLU  19  -7.435   0.764   1.346
  137    HA   GLU  19           HA       GLU  19  -8.897   3.295   1.514
  138    HB2  GLU  19           HB2      GLU  19  -6.101   2.957   2.603
  139    HB3  GLU  19           HB3      GLU  19  -7.109   4.393   2.689
  140    HG2  GLU  19           HG2      GLU  19  -8.640   2.444   3.907
  141    HG3  GLU  19           HG3      GLU  19  -6.997   2.091   4.441
  142    H    GLU  20           H        GLU  20  -8.792   4.177  -0.448
  143    HA   GLU  20           HA       GLU  20  -7.232   3.376  -2.562
  144    HB2  GLU  20           HB2      GLU  20  -8.237   6.177  -2.045
  145    HB3  GLU  20           HB3      GLU  20  -7.741   5.541  -3.604
  146    HG2  GLU  20           HG2      GLU  20  -9.988   4.367  -1.995
  147    HG3  GLU  20           HG3      GLU  20 -10.217   5.649  -3.183
  148    H    CYS  21           H        CYS  21  -5.449   4.538  -3.682
  149    HA   CYS  21           HA       CYS  21  -3.393   5.139  -1.742
  150    HB2  CYS  21           HB2      CYS  21  -1.822   4.961  -3.553
  151    HB3  CYS  21           HB3      CYS  21  -2.934   3.609  -3.628
  152    H    SER  22           H        SER  22  -2.261   7.015  -1.535
  153    HA   SER  22           HA       SER  22  -3.184   9.324  -3.098
  154    HB2  SER  22           HB2      SER  22  -3.274   8.942  -0.154
  155    HB3  SER  22           HB3      SER  22  -2.781  10.531  -0.735
  156    HG   SER  22           HG       SER  22  -5.242   9.386  -0.714
  157    HA   PRO  23           HA       PRO  23   0.871  10.844  -3.748
  158    HB2  PRO  23           HB2      PRO  23   0.230  13.110  -1.903
  159    HB3  PRO  23           HB3      PRO  23   0.953  13.143  -3.517
  160    HG2  PRO  23           HG2      PRO  23  -1.607  13.770  -3.180
  161    HG3  PRO  23           HG3      PRO  23  -1.086  12.815  -4.581
  162    HD2  PRO  23           HD2      PRO  23  -2.527  11.947  -2.126
  163    HD3  PRO  23           HD3      PRO  23  -2.635  11.319  -3.781
  164    H    CYS  24           H        CYS  24   2.931  11.149  -2.791
  165    HA   CYS  24           HA       CYS  24   3.094  10.217   0.001
  166    HB2  CYS  24           HB2      CYS  24   5.116   9.858  -2.221
  167    HB3  CYS  24           HB3      CYS  24   5.249   9.222  -0.587
  168    H    SER  25           H        SER  25   3.691  11.757   1.366
  169    HA   SER  25           HA       SER  25   4.585  14.290   0.719
  170    HB2  SER  25           HB2      SER  25   4.589  12.642   3.196
  171    HB3  SER  25           HB3      SER  25   5.608  14.082   3.186
  172    HG   SER  25           HG       SER  25   2.878  14.119   2.434
  173    H    ASN  26           H        ASN  26   6.767  15.170   1.700
  174    HA   ASN  26           HA       ASN  26   8.829  14.378   0.017
  175    HB2  ASN  26           HB2      ASN  26   9.019  15.813   2.675
  176    HB3  ASN  26           HB3      ASN  26  10.306  15.731   1.478
  177   HD21  ASN  26          HD21      ASN  26  10.312  17.132  -0.174
  178   HD22  ASN  26          HD22      ASN  26   9.088  18.315  -0.463
  179    H    PHE  27           H        PHE  27   7.914  13.178   3.157
  180    HA   PHE  27           HA       PHE  27  10.340  11.551   3.328
  181    HB2  PHE  27           HB2      PHE  27   9.293  12.888   5.299
  182    HB3  PHE  27           HB3      PHE  27   8.145  11.555   5.379
  183    HD1  PHE  27           HD1      PHE  27  11.804  11.566   4.689
  184    HD2  PHE  27           HD2      PHE  27   8.655  10.361   7.286
  185    HE1  PHE  27           HE1      PHE  27  13.410  10.271   6.029
  186    HE2  PHE  27           HE2      PHE  27  10.255   9.064   8.631
  187    HZ   PHE  27           HZ       PHE  27  12.636   9.017   8.003
  188    H    ARG  28           H        ARG  28   6.869  11.299   2.897
  189    HA   ARG  28           HA       ARG  28   6.618   8.516   3.221
  190    HB2  ARG  28           HB2      ARG  28   4.847  10.496   2.888
  191    HB3  ARG  28           HB3      ARG  28   4.876   9.878   1.242
  192    HG2  ARG  28           HG2      ARG  28   4.463   7.586   2.265
  193    HG3  ARG  28           HG3      ARG  28   4.081   8.449   3.756
  194    HD2  ARG  28           HD2      ARG  28   2.689   8.650   1.095
  195    HD3  ARG  28           HD3      ARG  28   2.029   8.054   2.616
  196    HE   ARG  28           HE       ARG  28   2.882  10.744   2.876
  197   HH11  ARG  28          HH11      ARG  28   0.323   8.786   1.536
  198   HH12  ARG  28          HH12      ARG  28  -0.863  10.043   1.640
  199   HH21  ARG  28          HH21      ARG  28   1.324  12.399   3.013
  200   HH22  ARG  28          HH22      ARG  28  -0.295  12.095   2.478
  201    H    ALA  29           H        ALA  29   7.267  10.498   0.362
  202    HA   ALA  29           HA       ALA  29   7.318   8.269  -1.432
  203    HB1  ALA  29           HB1      ALA  29   7.499   9.802  -3.077
  204    HB2  ALA  29           HB2      ALA  29   8.720  10.741  -2.217
  205    HB3  ALA  29           HB3      ALA  29   7.016  10.918  -1.799
  206    H    LYS  30           H        LYS  30   9.649   9.856   0.595
  207    HA   LYS  30           HA       LYS  30  11.927   8.701  -0.762
  208    HB2  LYS  30           HB2      LYS  30  11.534  10.497   1.593
  209    HB3  LYS  30           HB3      LYS  30  13.057   9.634   1.433
  210    HG2  LYS  30           HG2      LYS  30  13.583  10.714  -0.585
  211    HG3  LYS  30           HG3      LYS  30  11.932  11.302  -0.792
  212    HD2  LYS  30           HD2      LYS  30  12.567  12.397   1.604
  213    HD3  LYS  30           HD3      LYS  30  14.145  12.389   0.815
  214    HE2  LYS  30           HE2      LYS  30  11.635  13.523  -0.409
  215    HE3  LYS  30           HE3      LYS  30  12.836  14.479   0.459
  216    HZ1  LYS  30           HZ1      LYS  30  13.123  13.072  -2.123
  217    HZ2  LYS  30           HZ2      LYS  30  14.479  13.510  -1.209
  218    HZ3  LYS  30           HZ3      LYS  30  13.414  14.700  -1.768
  219    H    THR  31           H        THR  31   9.870   7.944   1.938
  220    HA   THR  31           HA       THR  31  11.690   5.878   2.897
  221    HB   THR  31           HB       THR  31  10.505   7.319   4.524
  222    HG1  THR  31           HG1      THR  31  10.955   5.499   5.518
  223   HG21  THR  31          HG21      THR  31   8.320   7.212   3.038
  224   HG22  THR  31          HG22      THR  31   8.260   7.455   4.784
  225   HG23  THR  31          HG23      THR  31   7.970   5.853   4.106
  226    H    THR  32           H        THR  32   8.551   6.205   1.328
  227    HA   THR  32           HA       THR  32   8.274   3.300   1.199
  228    HB   THR  32           HB       THR  32   6.369   5.491   0.357
  229    HG1  THR  32           HG1      THR  32   6.561   3.890   2.675
  230   HG21  THR  32          HG21      THR  32   5.423   3.836  -0.826
  231   HG22  THR  32          HG22      THR  32   4.802   3.352   0.752
  232   HG23  THR  32          HG23      THR  32   6.237   2.567   0.090
  233    HA   PRO  33           HA       PRO  33   9.949   3.514  -2.960
  234    HB2  PRO  33           HB2      PRO  33  10.003   0.873  -3.449
  235    HB3  PRO  33           HB3      PRO  33  11.156   1.645  -2.355
  236    HG2  PRO  33           HG2      PRO  33   8.677   0.099  -1.710
  237    HG3  PRO  33           HG3      PRO  33  10.267   0.037  -0.930
  238    HD2  PRO  33           HD2      PRO  33   8.141   1.439   0.069
  239    HD3  PRO  33           HD3      PRO  33   9.835   1.869   0.374
  240    H    GLU  34           H        GLU  34   6.846   2.728  -1.994
  241    HA   GLU  34           HA       GLU  34   5.929   1.853  -4.614
  242    HB2  GLU  34           HB2      GLU  34   4.979   1.623  -1.909
  243    HB3  GLU  34           HB3      GLU  34   3.726   2.337  -2.912
  244    HG2  GLU  34           HG2      GLU  34   3.213   0.181  -3.288
  245    HG3  GLU  34           HG3      GLU  34   4.470   0.332  -4.516
  246    H    CYS  35           H        CYS  35   7.039   4.547  -4.236
  247    HA   CYS  35           HA       CYS  35   4.689   6.100  -5.090
  248    HB2  CYS  35           HB2      CYS  35   7.051   7.210  -3.570
  249    HB3  CYS  35           HB3      CYS  35   5.574   8.063  -4.009
  250    H    GLY  36           H        GLY  36   7.085   4.589  -6.391
  251    HA2  GLY  36           HA2      GLY  36   8.402   6.749  -7.815
  252    HA3  GLY  36           HA3      GLY  36   8.744   5.037  -7.973
  253    HA   PRO  37           HA       PRO  37   6.064   4.804 -11.484
  254    HB2  PRO  37           HB2      PRO  37   4.073   3.045 -11.048
  255    HB3  PRO  37           HB3      PRO  37   5.768   2.553 -11.131
  256    HG2  PRO  37           HG2      PRO  37   4.017   2.926  -8.751
  257    HG3  PRO  37           HG3      PRO  37   5.287   1.729  -9.036
  258    HD2  PRO  37           HD2      PRO  37   5.569   4.033  -7.521
  259    HD3  PRO  37           HD3      PRO  37   6.905   3.093  -8.213
  260    H    THR  38           H        THR  38   3.657   4.829  -8.835
  261    HA   THR  38           HA       THR  38   2.027   6.668 -10.443
  262    HB   THR  38           HB       THR  38   0.678   4.855  -9.816
  263    HG1  THR  38           HG1      THR  38  -0.831   5.792  -8.571
  264   HG21  THR  38          HG21      THR  38   0.582   4.455  -7.154
  265   HG22  THR  38          HG22      THR  38   2.297   4.801  -7.380
  266   HG23  THR  38          HG23      THR  38   1.536   3.487  -8.277
  267    H    GLY  39           H        GLY  39   3.689   6.334  -7.381
  268    HA2  GLY  39           HA2      GLY  39   4.451   8.049  -6.001
  269    HA3  GLY  39           HA3      GLY  39   3.554   9.203  -6.981
  270    H    TYR  40           H        TYR  40   1.429   6.819  -6.392
  271    HA   TYR  40           HA       TYR  40   0.370   8.120  -3.977
  272    HB2  TYR  40           HB2      TYR  40  -1.017   6.828  -6.328
  273    HB3  TYR  40           HB3      TYR  40  -1.848   7.207  -4.827
  274    HD1  TYR  40           HD1      TYR  40   0.600   9.082  -6.950
  275    HD2  TYR  40           HD2      TYR  40  -3.237   9.024  -5.112
  276    HE1  TYR  40           HE1      TYR  40   0.181  11.359  -7.772
  277    HE2  TYR  40           HE2      TYR  40  -3.666  11.303  -5.931
  278    HH   TYR  40           HH       TYR  40  -2.918  12.812  -7.657
  279    H    VAL  41           H        VAL  41   0.061   6.852  -2.200
  280    HA   VAL  41           HA       VAL  41   0.359   3.943  -2.577
  281    HB   VAL  41           HB       VAL  41   1.288   3.818  -0.318
  282   HG11  VAL  41          HG11      VAL  41   2.952   3.883  -1.932
  283   HG12  VAL  41          HG12      VAL  41   3.421   5.179  -0.832
  284   HG13  VAL  41          HG13      VAL  41   2.616   5.563  -2.354
  285   HG21  VAL  41          HG21      VAL  41   2.068   6.036   0.690
  286   HG22  VAL  41          HG22      VAL  41   0.358   5.631   0.843
  287   HG23  VAL  41          HG23      VAL  41   0.884   6.793  -0.375
  288    H    GLU  42           H        GLU  42  -1.194   2.659  -1.899
  289    HA   GLU  42           HA       GLU  42  -3.451   3.810  -0.414
  290    HB2  GLU  42           HB2      GLU  42  -4.566   1.617  -1.205
  291    HB3  GLU  42           HB3      GLU  42  -4.265   2.870  -2.396
  292    HG2  GLU  42           HG2      GLU  42  -2.804   1.618  -3.536
  293    HG3  GLU  42           HG3      GLU  42  -2.091   0.942  -2.074
  294    H    LYS  43           H        LYS  43  -4.660   2.018   0.891
  295    HA   LYS  43           HA       LYS  43  -2.672   0.603   2.543
  296    HB2  LYS  43           HB2      LYS  43  -4.290   2.651   3.377
  297    HB3  LYS  43           HB3      LYS  43  -5.242   1.241   3.817
  298    HG2  LYS  43           HG2      LYS  43  -3.513   0.397   5.204
  299    HG3  LYS  43           HG3      LYS  43  -2.359   1.586   4.594
  300    HD2  LYS  43           HD2      LYS  43  -3.476   3.366   5.687
  301    HD3  LYS  43           HD3      LYS  43  -4.880   2.358   6.045
  302    HE2  LYS  43           HE2      LYS  43  -3.848   2.296   8.077
  303    HE3  LYS  43           HE3      LYS  43  -3.067   0.913   7.315
  304    HZ1  LYS  43           HZ1      LYS  43  -1.248   2.013   8.067
  305    HZ2  LYS  43           HZ2      LYS  43  -1.969   3.541   7.968
  306    HZ3  LYS  43           HZ3      LYS  43  -1.392   2.785   6.570
  307    H    ILE  44           H        ILE  44  -2.857  -1.355   1.481
  308    HA   ILE  44           HA       ILE  44  -5.503  -2.591   1.304
  309    HB   ILE  44           HB       ILE  44  -4.264  -4.401   0.062
  310   HG12  ILE  44          HG12      ILE  44  -2.019  -2.381  -0.010
  311   HG13  ILE  44          HG13      ILE  44  -2.026  -3.775   1.064
  312   HG21  ILE  44          HG21      ILE  44  -4.489  -1.577  -0.868
  313   HG22  ILE  44          HG22      ILE  44  -5.426  -2.995  -1.337
  314   HG23  ILE  44          HG23      ILE  44  -3.779  -2.790  -1.934
  315   HD11  ILE  44          HD11      ILE  44  -0.699  -4.171  -0.940
  316   HD12  ILE  44          HD12      ILE  44  -2.122  -3.883  -1.940
  317   HD13  ILE  44          HD13      ILE  44  -2.078  -5.267  -0.849
  318    H    THR  45           H        THR  45  -6.154  -4.189   2.608
  319    HA   THR  45           HA       THR  45  -4.263  -5.164   4.630
  320    HB   THR  45           HB       THR  45  -7.253  -5.519   4.691
  321    HG1  THR  45           HG1      THR  45  -5.743  -3.315   5.637
  322   HG21  THR  45          HG21      THR  45  -6.002  -6.817   6.324
  323   HG22  THR  45          HG22      THR  45  -6.955  -5.553   7.101
  324   HG23  THR  45          HG23      THR  45  -5.215  -5.346   6.897
  325    H    CYS  46           H        CYS  46  -3.859  -7.322   4.928
  326    HA   CYS  46           HA       CYS  46  -4.730  -9.069   2.755
  327    HB2  CYS  46           HB2      CYS  46  -2.531  -9.363   4.809
  328    HB3  CYS  46           HB3      CYS  46  -2.964 -10.618   3.664
  329    H    SER  47           H        SER  47  -6.271 -10.521   3.021
  330    HA   SER  47           HA       SER  47  -7.801 -10.854   5.285
  331    HB2  SER  47           HB2      SER  47  -8.658 -11.669   3.213
  332    HB3  SER  47           HB3      SER  47  -7.273 -12.735   2.981
  333    HG   SER  47           HG       SER  47  -8.247 -14.192   4.130
  334    H    SER  48           H        SER  48  -4.744 -12.274   4.469
  335    HA   SER  48           HA       SER  48  -4.864 -14.290   6.525
  336    HB2  SER  48           HB2      SER  48  -3.451 -14.124   4.219
  337    HB3  SER  48           HB3      SER  48  -2.240 -13.560   5.371
  338    HG   SER  48           HG       SER  48  -1.961 -15.658   5.567
  339    H    SER  49           H        SER  49  -4.990 -13.454   8.490
  340    HA   SER  49           HA       SER  49  -4.236 -12.654  10.483
  341    HB2  SER  49           HB2      SER  49  -1.802 -12.560   8.858
  342    HB3  SER  49           HB3      SER  49  -1.853 -11.307  10.096
  343    HG   SER  49           HG       SER  49  -1.302 -13.875  10.399
  344    H    LYS  50           H        LYS  50  -5.193 -10.912   7.918
  345    HA   LYS  50           HA       LYS  50  -5.859  -8.759   7.566
  346    HB2  LYS  50           HB2      LYS  50  -6.271  -9.296  10.431
  347    HB3  LYS  50           HB3      LYS  50  -6.168  -7.588  10.027
  348    HG2  LYS  50           HG2      LYS  50  -8.039  -9.548   8.715
  349    HG3  LYS  50           HG3      LYS  50  -8.476  -8.462  10.037
  350    HD2  LYS  50           HD2      LYS  50  -7.827  -6.542   8.605
  351    HD3  LYS  50           HD3      LYS  50  -7.537  -7.671   7.280
  352    HE2  LYS  50           HE2      LYS  50 -10.177  -7.624   8.692
  353    HE3  LYS  50           HE3      LYS  50  -9.817  -6.447   7.429
  354    HZ1  LYS  50           HZ1      LYS  50  -9.166  -8.531   6.080
  355    HZ2  LYS  50           HZ2      LYS  50 -10.804  -8.151   6.265
  356    HZ3  LYS  50           HZ3      LYS  50 -10.105  -9.368   7.210
  357    H    ARG  51           H        ARG  51  -3.644  -8.495   6.766
  358    HA   ARG  51           HA       ARG  51  -2.018  -6.760   8.486
  359    HB2  ARG  51           HB2      ARG  51  -1.150  -8.360   6.082
  360    HB3  ARG  51           HB3      ARG  51  -0.110  -7.472   7.179
  361    HG2  ARG  51           HG2      ARG  51  -0.431  -8.995   8.914
  362    HG3  ARG  51           HG3      ARG  51  -1.857  -9.697   8.147
  363    HD2  ARG  51           HD2      ARG  51  -0.636 -11.054   6.824
  364    HD3  ARG  51           HD3      ARG  51   0.622  -9.846   6.571
  365    HE   ARG  51           HE       ARG  51   0.616 -11.936   8.514
  366   HH11  ARG  51          HH11      ARG  51   1.740  -8.693   7.882
  367   HH12  ARG  51          HH12      ARG  51   3.088  -8.816   8.963
  368   HH21  ARG  51          HH21      ARG  51   2.389 -12.100   9.935
  369   HH22  ARG  51          HH22      ARG  51   3.457 -10.749  10.128
  370    H    ASN  52           H        ASN  52  -2.334  -4.684   8.048
  371    HA   ASN  52           HA       ASN  52  -3.123  -3.798   5.410
  372    HB2  ASN  52           HB2      ASN  52  -3.235  -1.561   6.441
  373    HB3  ASN  52           HB3      ASN  52  -4.137  -2.751   7.375
  374   HD21  ASN  52          HD21      ASN  52  -3.293  -3.474   9.353
  375   HD22  ASN  52          HD22      ASN  52  -2.108  -2.557  10.213
  376    H    GLU  53           H        GLU  53  -1.538  -3.834   3.935
  377    HA   GLU  53           HA       GLU  53   1.124  -2.867   4.677
  378    HB2  GLU  53           HB2      GLU  53   0.067  -4.761   2.694
  379    HB3  GLU  53           HB3      GLU  53   1.343  -3.718   2.085
  380    HG2  GLU  53           HG2      GLU  53   1.486  -5.565   4.456
  381    HG3  GLU  53           HG3      GLU  53   2.305  -5.752   2.905
  382    H    PHE  54           H        PHE  54   2.274  -1.508   3.081
  383    HA   PHE  54           HA       PHE  54   0.467   0.568   2.070
  384    HB2  PHE  54           HB2      PHE  54   3.269   0.545   3.076
  385    HB3  PHE  54           HB3      PHE  54   2.861   1.733   1.843
  386    HD1  PHE  54           HD1      PHE  54   0.742   3.165   2.303
  387    HD2  PHE  54           HD2      PHE  54   2.883   1.027   5.296
  388    HE1  PHE  54           HE1      PHE  54  -0.220   4.629   4.032
  389    HE2  PHE  54           HE2      PHE  54   1.924   2.486   7.030
  390    HZ   PHE  54           HZ       PHE  54   0.371   4.290   6.399
  391    H    LYS  55           H        LYS  55  -0.137  -0.127   0.073
  392    HA   LYS  55           HA       LYS  55   1.977  -0.835  -1.841
  393    HB2  LYS  55           HB2      LYS  55  -0.647  -1.853  -1.345
  394    HB3  LYS  55           HB3      LYS  55  -0.610  -1.188  -2.971
  395    HG2  LYS  55           HG2      LYS  55   1.595  -2.555  -3.185
  396    HG3  LYS  55           HG3      LYS  55   0.943  -3.456  -1.815
  397    HD2  LYS  55           HD2      LYS  55  -0.242  -4.655  -3.269
  398    HD3  LYS  55           HD3      LYS  55  -1.188  -3.204  -3.603
  399    HE2  LYS  55           HE2      LYS  55   1.165  -2.917  -5.084
  400    HE3  LYS  55           HE3      LYS  55   0.689  -4.602  -5.286
  401    HZ1  LYS  55           HZ1      LYS  55  -0.256  -2.917  -6.911
  402    HZ2  LYS  55           HZ2      LYS  55  -1.246  -2.397  -5.641
  403    HZ3  LYS  55           HZ3      LYS  55  -1.352  -3.989  -6.198
  404    H    SER  56           H        SER  56   1.223  -0.178  -4.201
  405    HA   SER  56           HA       SER  56   0.457   2.670  -4.111
  406    HB2  SER  56           HB2      SER  56   2.076   3.214  -5.716
  407    HB3  SER  56           HB3      SER  56   2.915   2.052  -4.691
  408    HG   SER  56           HG       SER  56   2.895   0.619  -6.266
  409    H    CYS  57           H        CYS  57  -1.115   3.341  -5.509
  410    HA   CYS  57           HA       CYS  57  -1.996   1.397  -7.536
  411    HB2  CYS  57           HB2      CYS  57  -4.205   1.493  -6.922
  412    HB3  CYS  57           HB3      CYS  57  -3.449   1.680  -5.354
  413    H    ARG  58           H        ARG  58  -3.517   2.480  -9.173
  414    HA   ARG  58           HA       ARG  58  -2.167   4.896 -10.078
  415    HB2  ARG  58           HB2      ARG  58  -2.603   2.872 -11.562
  416    HB3  ARG  58           HB3      ARG  58  -4.295   3.349 -11.548
  417    HG2  ARG  58           HG2      ARG  58  -2.841   5.655 -12.213
  418    HG3  ARG  58           HG3      ARG  58  -2.143   4.336 -13.155
  419    HD2  ARG  58           HD2      ARG  58  -5.065   5.080 -13.034
  420    HD3  ARG  58           HD3      ARG  58  -3.963   5.428 -14.367
  421    HE   ARG  58           HE       ARG  58  -5.247   2.923 -13.782
  422   HH11  ARG  58          HH11      ARG  58  -2.530   4.445 -15.354
  423   HH12  ARG  58          HH12      ARG  58  -2.281   3.140 -16.465
  424   HH21  ARG  58          HH21      ARG  58  -4.921   1.205 -15.240
  425   HH22  ARG  58          HH22      ARG  58  -3.638   1.300 -16.400
  426    H    SER  59           H        SER  59  -2.985   6.842  -9.765
  427    HA   SER  59           HA       SER  59  -5.552   7.205  -8.568
  428    HB2  SER  59           HB2      SER  59  -3.999   9.476  -9.742
  429    HB3  SER  59           HB3      SER  59  -4.918   9.410  -8.238
  430    HG   SER  59           HG       SER  59  -3.234   7.909  -7.509
  431    H    ALA  60           H        ALA  60  -4.319   7.295 -11.808
  432    HA   ALA  60           HA       ALA  60  -6.275   8.915 -13.015
  433    HB1  ALA  60           HB1      ALA  60  -5.059   8.556 -14.840
  434    HB2  ALA  60           HB2      ALA  60  -5.335   6.815 -14.765
  435    HB3  ALA  60           HB3      ALA  60  -4.013   7.540 -13.849
  436    H    LEU  61           H        LEU  61  -6.541   5.796 -11.671
  437    HA   LEU  61           HA       LEU  61  -8.971   5.251 -13.235
  438    HB2  LEU  61           HB2      LEU  61  -6.983   3.570 -13.035
  439    HB3  LEU  61           HB3      LEU  61  -7.654   3.241 -11.448
  440    HG   LEU  61           HG       LEU  61  -9.851   2.741 -12.621
  441   HD11  LEU  61          HD11      LEU  61  -9.568   2.030 -15.011
  442   HD12  LEU  61          HD12      LEU  61  -8.023   2.882 -15.006
  443   HD13  LEU  61          HD13      LEU  61  -9.521   3.772 -14.733
  444   HD21  LEU  61          HD21      LEU  61  -7.370   1.089 -12.881
  445   HD22  LEU  61          HD22      LEU  61  -8.909   0.502 -13.508
  446   HD23  LEU  61          HD23      LEU  61  -8.744   0.880 -11.794
  447    H    MET  62           H        MET  62  -7.731   5.968 -10.095
  448    HA   MET  62           HA       MET  62 -10.099   5.117  -8.694
  449    HB2  MET  62           HB2      MET  62  -7.768   6.783  -7.736
  450    HB3  MET  62           HB3      MET  62  -9.016   6.084  -6.715
  451    HG2  MET  62           HG2      MET  62  -7.190   4.448  -8.450
  452    HG3  MET  62           HG3      MET  62  -6.841   4.849  -6.770
  453    HE1  MET  62           HE1      MET  62  -9.322   1.461  -8.328
  454    HE2  MET  62           HE2      MET  62  -7.941   2.309  -9.024
  455    HE3  MET  62           HE3      MET  62  -9.552   3.018  -9.124
  456    H    GLU  63           H        GLU  63  -8.512   8.283  -9.131
  457    HA   GLU  63           HA       GLU  63 -11.134   9.523  -9.448
  458    HB2  GLU  63           HB2      GLU  63 -10.079   9.536  -6.974
  459    HB3  GLU  63           HB3      GLU  63  -9.283  10.961  -7.629
  460    HG2  GLU  63           HG2      GLU  63 -11.156  11.902  -6.739
  461    HG3  GLU  63           HG3      GLU  63 -11.711  11.589  -8.383
  462    H    GLN  64           H        GLN  64 -10.561   9.936 -11.587
  463    HA   GLN  64           HA       GLN  64  -8.495  12.008 -11.922
  464    HB2  GLN  64           HB2      GLN  64  -8.170   9.542 -12.903
  465    HB3  GLN  64           HB3      GLN  64  -9.128  10.219 -14.213
  466    HG2  GLN  64           HG2      GLN  64  -6.640  11.536 -13.167
  467    HG3  GLN  64           HG3      GLN  64  -6.624  10.344 -14.467
  468   HE21  GLN  64          HE21      GLN  64  -8.663  10.938 -16.022
  469   HE22  GLN  64          HE22      GLN  64  -8.555  12.544 -16.647
  470    H    ARG  65           H        ARG  65 -10.238  13.530 -11.645
  471    HA   ARG  65           HA       ARG  65 -11.779  15.013 -12.419
  472    HB2  ARG  65           HB2      ARG  65 -10.059  14.675 -14.460
  473    HB3  ARG  65           HB3      ARG  65 -11.533  14.104 -15.232
  474    HG2  ARG  65           HG2      ARG  65 -12.450  16.378 -14.148
  475    HG3  ARG  65           HG3      ARG  65 -10.759  16.821 -14.391
  476    HD2  ARG  65           HD2      ARG  65 -12.117  15.457 -16.638
  477    HD3  ARG  65           HD3      ARG  65 -12.638  17.103 -16.280
  478    HE   ARG  65           HE       ARG  65  -9.812  16.952 -16.389
  479   HH11  ARG  65          HH11      ARG  65 -12.641  16.962 -18.434
  480   HH12  ARG  65          HH12      ARG  65 -11.808  17.629 -19.797
  481   HH21  ARG  65          HH21      ARG  65  -8.714  17.829 -18.182
  482   HH22  ARG  65          HH22      ARG  65  -9.578  18.121 -19.655
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  23.174  -7.507   4.208
    2    H2   GLY   1           H2       GLY   1  24.512  -7.214   5.201
    3    H3   GLY   1           H3       GLY   1  24.102  -6.109   3.987
    4    HA2  GLY   1           HA2      GLY   1  22.145  -6.733   6.090
    5    HA3  GLY   1           HA3      GLY   1  23.462  -5.625   6.442
    6    H    SER   2           H        SER   2  22.107  -5.869   3.242
    7    HA   SER   2           HA       SER   2  20.535  -3.433   3.665
    8    HB2  SER   2           HB2      SER   2  22.353  -3.685   1.274
    9    HB3  SER   2           HB3      SER   2  21.539  -2.246   1.887
   10    HG   SER   2           HG       SER   2  22.957  -2.171   3.583
   11    H    GLY   3           H        GLY   3  21.454  -5.973   1.354
   12    HA2  GLY   3           HA2      GLY   3  18.853  -5.709   0.037
   13    HA3  GLY   3           HA3      GLY   3  20.216  -6.654  -0.544
   14    H    MET   4           H        MET   4  18.739  -6.707   2.672
   15    HA   MET   4           HA       MET   4  18.728  -9.500   2.856
   16    HB2  MET   4           HB2      MET   4  18.340  -7.504   4.625
   17    HB3  MET   4           HB3      MET   4  16.674  -8.017   4.395
   18    HG2  MET   4           HG2      MET   4  17.400  -9.258   6.214
   19    HG3  MET   4           HG3      MET   4  17.531 -10.379   4.861
   20    HE1  MET   4           HE1      MET   4  19.254 -11.397   4.033
   21    HE2  MET   4           HE2      MET   4  20.835 -11.605   4.786
   22    HE3  MET   4           HE3      MET   4  20.594 -10.344   3.576
   23    H    LYS   5           H        LYS   5  16.823 -10.912   3.068
   24    HA   LYS   5           HA       LYS   5  15.061 -10.538   0.810
   25    HB2  LYS   5           HB2      LYS   5  16.203 -12.741   1.891
   26    HB3  LYS   5           HB3      LYS   5  14.615 -12.817   2.641
   27    HG2  LYS   5           HG2      LYS   5  14.614 -12.299  -0.253
   28    HG3  LYS   5           HG3      LYS   5  15.217 -13.883   0.239
   29    HD2  LYS   5           HD2      LYS   5  13.101 -14.009   1.693
   30    HD3  LYS   5           HD3      LYS   5  12.512 -12.669   0.709
   31    HE2  LYS   5           HE2      LYS   5  13.643 -14.933  -0.791
   32    HE3  LYS   5           HE3      LYS   5  12.164 -15.286   0.101
   33    HZ1  LYS   5           HZ1      LYS   5  10.941 -13.957  -1.226
   34    HZ2  LYS   5           HZ2      LYS   5  12.173 -14.272  -2.342
   35    HZ3  LYS   5           HZ3      LYS   5  12.180 -12.830  -1.459
   36    H    GLU   6           H        GLU   6  13.520  -9.033   1.200
   37    HA   GLU   6           HA       GLU   6  11.681  -9.583   3.428
   38    HB2  GLU   6           HB2      GLU   6  12.597  -6.854   2.501
   39    HB3  GLU   6           HB3      GLU   6  11.355  -7.150   3.710
   40    HG2  GLU   6           HG2      GLU   6  12.854  -7.757   5.310
   41    HG3  GLU   6           HG3      GLU   6  14.026  -8.364   4.141
   42    H    PHE   7           H        PHE   7   9.571  -9.623   2.907
   43    HA   PHE   7           HA       PHE   7   8.737  -8.491   0.331
   44    HB2  PHE   7           HB2      PHE   7   7.163 -10.683   0.395
   45    HB3  PHE   7           HB3      PHE   7   8.702 -10.622  -0.453
   46    HD1  PHE   7           HD1      PHE   7   7.761 -11.059   3.133
   47    HD2  PHE   7           HD2      PHE   7   9.802 -12.624  -0.257
   48    HE1  PHE   7           HE1      PHE   7   8.574 -12.939   4.497
   49    HE2  PHE   7           HE2      PHE   7  10.617 -14.508   1.100
   50    HZ   PHE   7           HZ       PHE   7  10.004 -14.667   3.480
   51    HA   PRO   8           HA       PRO   8   5.151  -7.199   2.577
   52    HB2  PRO   8           HB2      PRO   8   3.309  -6.965   0.677
   53    HB3  PRO   8           HB3      PRO   8   4.795  -6.009   0.602
   54    HG2  PRO   8           HG2      PRO   8   4.074  -8.509  -0.877
   55    HG3  PRO   8           HG3      PRO   8   4.891  -7.055  -1.474
   56    HD2  PRO   8           HD2      PRO   8   6.169  -9.386  -0.696
   57    HD3  PRO   8           HD3      PRO   8   6.935  -7.789  -0.783
   58    H    CYS   9           H        CYS   9   2.517  -7.673   2.341
   59    HA   CYS   9           HA       CYS   9   2.299 -10.531   2.982
   60    HB2  CYS   9           HB2      CYS   9   0.363  -9.981   4.316
   61    HB3  CYS   9           HB3      CYS   9   1.682  -8.912   4.771
   62    H    TRP  10           H        TRP  10   1.087  -8.011   0.907
   63    HA   TRP  10           HA       TRP  10  -1.192  -9.400  -0.051
   64    HB2  TRP  10           HB2      TRP  10  -1.024  -7.739  -1.966
   65    HB3  TRP  10           HB3      TRP  10  -1.182  -7.056  -0.356
   66    HD1  TRP  10           HD1      TRP  10   0.907  -5.710   0.626
   67    HE1  TRP  10           HE1      TRP  10   2.973  -4.678  -0.514
   68    HE3  TRP  10           HE3      TRP  10   0.638  -8.117  -3.868
   69    HZ2  TRP  10           HZ2      TRP  10   4.311  -4.863  -2.994
   70    HZ3  TRP  10           HZ3      TRP  10   2.346  -7.635  -5.574
   71    HH2  TRP  10           HH2      TRP  10   4.144  -6.040  -5.144
   72    H    LEU  11           H        LEU  11   2.163  -9.691  -0.695
   73    HA   LEU  11           HA       LEU  11   1.864 -10.837  -3.314
   74    HB2  LEU  11           HB2      LEU  11   4.140 -10.418  -1.423
   75    HB3  LEU  11           HB3      LEU  11   4.332 -11.527  -2.770
   76    HG   LEU  11           HG       LEU  11   3.580  -8.611  -3.012
   77   HD11  LEU  11          HD11      LEU  11   6.047  -9.234  -4.263
   78   HD12  LEU  11          HD12      LEU  11   6.112  -9.850  -2.612
   79   HD13  LEU  11          HD13      LEU  11   5.748  -8.150  -2.906
   80   HD21  LEU  11          HD21      LEU  11   3.919 -10.834  -4.987
   81   HD22  LEU  11          HD22      LEU  11   4.265  -9.168  -5.452
   82   HD23  LEU  11          HD23      LEU  11   2.655  -9.609  -4.884
   83    H    VAL  12           H        VAL  12   1.637 -11.977  -0.095
   84    HA   VAL  12           HA       VAL  12   1.595 -14.747  -1.092
   85    HB   VAL  12           HB       VAL  12   2.299 -15.387   1.291
   86   HG11  VAL  12          HG11      VAL  12   4.589 -14.041  -0.007
   87   HG12  VAL  12          HG12      VAL  12   3.678 -15.186  -0.992
   88   HG13  VAL  12          HG13      VAL  12   4.404 -15.712   0.526
   89   HG21  VAL  12          HG21      VAL  12   3.887 -12.977   1.585
   90   HG22  VAL  12          HG22      VAL  12   2.893 -13.825   2.768
   91   HG23  VAL  12          HG23      VAL  12   2.157 -12.648   1.682
   92    H    GLU  13           H        GLU  13  -0.262 -12.320   0.086
   93    HA   GLU  13           HA       GLU  13  -2.254 -14.206   1.107
   94    HB2  GLU  13           HB2      GLU  13  -1.548 -11.610   2.493
   95    HB3  GLU  13           HB3      GLU  13  -2.844 -12.702   2.952
   96    HG2  GLU  13           HG2      GLU  13  -1.474 -13.938   4.166
   97    HG3  GLU  13           HG3      GLU  13  -0.339 -14.104   2.830
   98    H    GLU  14           H        GLU  14  -4.448 -13.207   1.207
   99    HA   GLU  14           HA       GLU  14  -4.912 -11.682  -1.197
  100    HB2  GLU  14           HB2      GLU  14  -6.538 -13.307  -0.929
  101    HB3  GLU  14           HB3      GLU  14  -6.633 -13.083   0.811
  102    HG2  GLU  14           HG2      GLU  14  -8.660 -12.333  -0.300
  103    HG3  GLU  14           HG3      GLU  14  -7.829 -10.994   0.492
  104    H    PHE  15           H        PHE  15  -5.070  -9.547  -1.308
  105    HA   PHE  15           HA       PHE  15  -5.442  -8.055   1.202
  106    HB2  PHE  15           HB2      PHE  15  -4.094  -6.314   0.341
  107    HB3  PHE  15           HB3      PHE  15  -3.254  -7.804  -0.073
  108    HD1  PHE  15           HD1      PHE  15  -5.342  -5.076  -1.403
  109    HD2  PHE  15           HD2      PHE  15  -2.868  -8.411  -2.329
  110    HE1  PHE  15           HE1      PHE  15  -5.301  -4.386  -3.764
  111    HE2  PHE  15           HE2      PHE  15  -2.822  -7.727  -4.691
  112    HZ   PHE  15           HZ       PHE  15  -4.039  -5.711  -5.410
  113    H    VAL  16           H        VAL  16  -6.651  -6.112   1.167
  114    HA   VAL  16           HA       VAL  16  -8.510  -5.831  -1.085
  115    HB   VAL  16           HB       VAL  16 -10.286  -5.259   0.676
  116   HG11  VAL  16          HG11      VAL  16 -10.890  -7.147  -0.409
  117   HG12  VAL  16          HG12      VAL  16 -10.489  -7.897   1.136
  118   HG13  VAL  16          HG13      VAL  16  -9.316  -7.911  -0.182
  119   HG21  VAL  16          HG21      VAL  16  -8.267  -5.525   2.449
  120   HG22  VAL  16          HG22      VAL  16  -8.980  -7.135   2.533
  121   HG23  VAL  16          HG23      VAL  16  -9.970  -5.714   2.862
  122    H    VAL  17           H        VAL  17  -8.416  -3.819  -1.847
  123    HA   VAL  17           HA       VAL  17  -6.980  -1.745  -0.647
  124    HB   VAL  17           HB       VAL  17  -9.204  -1.398  -2.661
  125   HG11  VAL  17          HG11      VAL  17  -7.011   0.325  -1.635
  126   HG12  VAL  17          HG12      VAL  17  -8.656   0.749  -2.107
  127   HG13  VAL  17          HG13      VAL  17  -7.434   0.451  -3.343
  128   HG21  VAL  17          HG21      VAL  17  -6.478  -1.480  -3.689
  129   HG22  VAL  17          HG22      VAL  17  -7.936  -2.275  -4.280
  130   HG23  VAL  17          HG23      VAL  17  -6.998  -3.009  -2.981
  131    H    ALA  18           H        ALA  18  -7.603  -1.337   1.451
  132    HA   ALA  18           HA       ALA  18 -10.364  -0.682   2.053
  133    HB1  ALA  18           HB1      ALA  18  -7.901  -1.167   3.623
  134    HB2  ALA  18           HB2      ALA  18  -9.547  -1.743   3.887
  135    HB3  ALA  18           HB3      ALA  18  -9.106  -0.095   4.335
  136    H    GLU  19           H        GLU  19  -7.366   0.918   1.375
  137    HA   GLU  19           HA       GLU  19  -8.733   3.506   1.509
  138    HB2  GLU  19           HB2      GLU  19  -5.916   3.086   2.515
  139    HB3  GLU  19           HB3      GLU  19  -6.864   4.564   2.595
  140    HG2  GLU  19           HG2      GLU  19  -8.412   2.676   3.911
  141    HG3  GLU  19           HG3      GLU  19  -6.761   2.331   4.419
  142    H    GLU  20           H        GLU  20  -8.683   4.287  -0.502
  143    HA   GLU  20           HA       GLU  20  -7.185   3.381  -2.620
  144    HB2  GLU  20           HB2      GLU  20  -8.234   6.174  -2.144
  145    HB3  GLU  20           HB3      GLU  20  -7.639   5.588  -3.690
  146    HG2  GLU  20           HG2      GLU  20  -9.409   3.738  -3.420
  147    HG3  GLU  20           HG3      GLU  20 -10.111   4.804  -2.204
  148    H    CYS  21           H        CYS  21  -5.435   4.514  -3.836
  149    HA   CYS  21           HA       CYS  21  -3.311   5.135  -1.977
  150    HB2  CYS  21           HB2      CYS  21  -1.804   4.916  -3.850
  151    HB3  CYS  21           HB3      CYS  21  -2.906   3.554  -3.819
  152    H    SER  22           H        SER  22  -2.177   7.004  -1.834
  153    HA   SER  22           HA       SER  22  -3.074   9.282  -3.458
  154    HB2  SER  22           HB2      SER  22  -2.653  10.520  -1.092
  155    HB3  SER  22           HB3      SER  22  -4.234   9.933  -1.608
  156    HG   SER  22           HG       SER  22  -4.181   8.653   0.042
  157    HA   PRO  23           HA       PRO  23   1.068  10.618  -4.026
  158    HB2  PRO  23           HB2      PRO  23   1.062  13.124  -2.760
  159    HB3  PRO  23           HB3      PRO  23   0.663  12.805  -4.450
  160    HG2  PRO  23           HG2      PRO  23  -1.145  13.169  -2.109
  161    HG3  PRO  23           HG3      PRO  23  -1.371  13.671  -3.796
  162    HD2  PRO  23           HD2      PRO  23  -2.663  11.556  -2.801
  163    HD3  PRO  23           HD3      PRO  23  -2.040  11.547  -4.464
  164    H    CYS  24           H        CYS  24   3.086  11.000  -2.975
  165    HA   CYS  24           HA       CYS  24   3.051  10.235  -0.135
  166    HB2  CYS  24           HB2      CYS  24   5.246   9.929  -2.195
  167    HB3  CYS  24           HB3      CYS  24   5.342   9.407  -0.519
  168    H    SER  25           H        SER  25   3.585  11.735   1.300
  169    HA   SER  25           HA       SER  25   4.352  14.339   0.653
  170    HB2  SER  25           HB2      SER  25   4.144  12.741   3.141
  171    HB3  SER  25           HB3      SER  25   5.177  14.169   3.222
  172    HG   SER  25           HG       SER  25   2.790  14.364   3.672
  173    H    ASN  26           H        ASN  26   6.420  15.209   2.062
  174    HA   ASN  26           HA       ASN  26   8.654  14.595   0.501
  175    HB2  ASN  26           HB2      ASN  26   8.744  15.781   3.277
  176    HB3  ASN  26           HB3      ASN  26   9.907  16.012   1.975
  177   HD21  ASN  26          HD21      ASN  26   8.123  16.417  -0.133
  178   HD22  ASN  26          HD22      ASN  26   7.323  17.929   0.110
  179    H    PHE  27           H        PHE  27   7.490  13.204   3.480
  180    HA   PHE  27           HA       PHE  27   9.942  11.661   3.834
  181    HB2  PHE  27           HB2      PHE  27   8.287  12.787   5.664
  182    HB3  PHE  27           HB3      PHE  27   7.635  11.152   5.612
  183    HD1  PHE  27           HD1      PHE  27   9.927   9.460   5.290
  184    HD2  PHE  27           HD2      PHE  27   9.527  13.026   7.579
  185    HE1  PHE  27           HE1      PHE  27  11.726   8.697   6.785
  186    HE2  PHE  27           HE2      PHE  27  11.326  12.269   9.078
  187    HZ   PHE  27           HZ       PHE  27  12.427  10.102   8.683
  188    H    ARG  28           H        ARG  28   6.520  11.210   3.097
  189    HA   ARG  28           HA       ARG  28   6.451   8.415   3.129
  190    HB2  ARG  28           HB2      ARG  28   4.497  10.035   2.960
  191    HB3  ARG  28           HB3      ARG  28   4.854  10.137   1.242
  192    HG2  ARG  28           HG2      ARG  28   4.228   7.940   0.850
  193    HG3  ARG  28           HG3      ARG  28   4.411   7.483   2.545
  194    HD2  ARG  28           HD2      ARG  28   2.310   9.379   1.509
  195    HD3  ARG  28           HD3      ARG  28   2.045   7.658   1.783
  196    HE   ARG  28           HE       ARG  28   3.056   9.053   4.084
  197   HH11  ARG  28          HH11      ARG  28   0.184   8.166   2.310
  198   HH12  ARG  28          HH12      ARG  28  -0.859   8.304   3.684
  199   HH21  ARG  28          HH21      ARG  28   1.685   9.234   5.893
  200   HH22  ARG  28          HH22      ARG  28  -0.008   8.911   5.719
  201    H    ALA  29           H        ALA  29   7.311  10.675   0.553
  202    HA   ALA  29           HA       ALA  29   7.516   8.830  -1.545
  203    HB1  ALA  29           HB1      ALA  29   7.481  11.129  -2.090
  204    HB2  ALA  29           HB2      ALA  29   9.080  10.543  -2.549
  205    HB3  ALA  29           HB3      ALA  29   8.873  11.470  -1.063
  206    H    LYS  30           H        LYS  30   9.706   9.622   1.056
  207    HA   LYS  30           HA       LYS  30  11.915   8.174  -0.138
  208    HB2  LYS  30           HB2      LYS  30  11.517   9.798   2.333
  209    HB3  LYS  30           HB3      LYS  30  12.836   8.635   2.303
  210    HG2  LYS  30           HG2      LYS  30  13.992  10.363   1.461
  211    HG3  LYS  30           HG3      LYS  30  13.237   9.872  -0.057
  212    HD2  LYS  30           HD2      LYS  30  11.480  11.506   0.247
  213    HD3  LYS  30           HD3      LYS  30  12.121  11.943   1.832
  214    HE2  LYS  30           HE2      LYS  30  14.265  12.568   0.635
  215    HE3  LYS  30           HE3      LYS  30  13.361  12.409  -0.870
  216    HZ1  LYS  30           HZ1      LYS  30  13.558  14.682   0.481
  217    HZ2  LYS  30           HZ2      LYS  30  12.145  14.070   1.183
  218    HZ3  LYS  30           HZ3      LYS  30  12.227  14.302  -0.490
  219    H    THR  31           H        THR  31  10.044   7.875   2.886
  220    HA   THR  31           HA       THR  31  11.035   5.363   3.616
  221    HB   THR  31           HB       THR  31   8.993   5.211   5.045
  222    HG1  THR  31           HG1      THR  31   8.321   7.706   3.886
  223   HG21  THR  31          HG21      THR  31  10.534   6.334   6.267
  224   HG22  THR  31          HG22      THR  31   9.331   7.613   6.092
  225   HG23  THR  31          HG23      THR  31  10.752   7.590   5.047
  226    H    THR  32           H        THR  32   7.865   6.111   2.152
  227    HA   THR  32           HA       THR  32   7.325   3.368   1.570
  228    HB   THR  32           HB       THR  32   5.961   5.814   0.437
  229    HG1  THR  32           HG1      THR  32   5.601   4.444   2.882
  230   HG21  THR  32          HG21      THR  32   5.185   3.926  -0.737
  231   HG22  THR  32          HG22      THR  32   3.963   4.292   0.481
  232   HG23  THR  32          HG23      THR  32   5.089   2.959   0.735
  233    HA   PRO  33           HA       PRO  33   9.767   3.517  -2.223
  234    HB2  PRO  33           HB2      PRO  33   9.761   0.870  -2.708
  235    HB3  PRO  33           HB3      PRO  33  10.783   1.595  -1.462
  236    HG2  PRO  33           HG2      PRO  33   8.165   0.175  -1.174
  237    HG3  PRO  33           HG3      PRO  33   9.626   0.041  -0.178
  238    HD2  PRO  33           HD2      PRO  33   7.456   1.545   0.523
  239    HD3  PRO  33           HD3      PRO  33   9.113   1.914   1.042
  240    H    GLU  34           H        GLU  34   6.513   2.836  -1.760
  241    HA   GLU  34           HA       GLU  34   6.008   2.057  -4.523
  242    HB2  GLU  34           HB2      GLU  34   4.481   2.019  -1.993
  243    HB3  GLU  34           HB3      GLU  34   3.539   2.348  -3.440
  244    HG2  GLU  34           HG2      GLU  34   3.381   0.095  -3.429
  245    HG3  GLU  34           HG3      GLU  34   4.883   0.251  -4.338
  246    H    CYS  35           H        CYS  35   7.138   4.622  -4.140
  247    HA   CYS  35           HA       CYS  35   4.914   6.328  -5.040
  248    HB2  CYS  35           HB2      CYS  35   7.345   7.352  -3.582
  249    HB3  CYS  35           HB3      CYS  35   5.848   8.211  -3.930
  250    H    GLY  36           H        GLY  36   7.556   4.731  -6.071
  251    HA2  GLY  36           HA2      GLY  36   8.898   6.759  -7.578
  252    HA3  GLY  36           HA3      GLY  36   9.110   5.025  -7.746
  253    HA   PRO  37           HA       PRO  37   6.495   4.997 -11.295
  254    HB2  PRO  37           HB2      PRO  37   4.440   3.283 -10.886
  255    HB3  PRO  37           HB3      PRO  37   6.116   2.752 -11.049
  256    HG2  PRO  37           HG2      PRO  37   4.444   3.021  -8.605
  257    HG3  PRO  37           HG3      PRO  37   5.711   1.847  -8.979
  258    HD2  PRO  37           HD2      PRO  37   6.010   4.086  -7.362
  259    HD3  PRO  37           HD3      PRO  37   7.332   3.167  -8.105
  260    H    THR  38           H        THR  38   3.534   4.404  -9.505
  261    HA   THR  38           HA       THR  38   2.186   6.537 -10.787
  262    HB   THR  38           HB       THR  38   0.939   4.587 -10.113
  263    HG1  THR  38           HG1      THR  38  -0.762   5.603  -9.196
  264   HG21  THR  38          HG21      THR  38   1.228   3.517  -8.209
  265   HG22  THR  38          HG22      THR  38   0.729   4.943  -7.299
  266   HG23  THR  38          HG23      THR  38   2.424   4.722  -7.734
  267    H    GLY  39           H        GLY  39   3.820   6.225  -7.717
  268    HA2  GLY  39           HA2      GLY  39   4.536   7.936  -6.310
  269    HA3  GLY  39           HA3      GLY  39   3.662   9.087  -7.312
  270    H    TYR  40           H        TYR  40   1.536   6.687  -6.747
  271    HA   TYR  40           HA       TYR  40   0.409   8.011  -4.375
  272    HB2  TYR  40           HB2      TYR  40  -0.896   6.691  -6.755
  273    HB3  TYR  40           HB3      TYR  40  -1.776   7.032  -5.275
  274    HD1  TYR  40           HD1      TYR  40   0.688   9.015  -7.277
  275    HD2  TYR  40           HD2      TYR  40  -3.224   8.790  -5.619
  276    HE1  TYR  40           HE1      TYR  40   0.221  11.286  -8.089
  277    HE2  TYR  40           HE2      TYR  40  -3.702  11.062  -6.429
  278    HH   TYR  40           HH       TYR  40  -1.666  13.225  -7.150
  279    H    VAL  41           H        VAL  41   0.159   6.772  -2.578
  280    HA   VAL  41           HA       VAL  41   0.395   3.855  -2.927
  281    HB   VAL  41           HB       VAL  41   1.452   3.699  -0.762
  282   HG11  VAL  41          HG11      VAL  41   2.598   5.421  -2.876
  283   HG12  VAL  41          HG12      VAL  41   3.162   3.878  -2.237
  284   HG13  VAL  41          HG13      VAL  41   3.456   5.364  -1.337
  285   HG21  VAL  41          HG21      VAL  41   0.780   5.304   0.685
  286   HG22  VAL  41          HG22      VAL  41   0.649   6.534  -0.571
  287   HG23  VAL  41          HG23      VAL  41   2.226   6.125   0.102
  288    H    GLU  42           H        GLU  42  -1.150   2.599  -2.162
  289    HA   GLU  42           HA       GLU  42  -3.335   3.818  -0.623
  290    HB2  GLU  42           HB2      GLU  42  -4.541   1.665  -1.353
  291    HB3  GLU  42           HB3      GLU  42  -4.217   2.873  -2.585
  292    HG2  GLU  42           HG2      GLU  42  -2.867   1.520  -3.731
  293    HG3  GLU  42           HG3      GLU  42  -2.092   0.905  -2.275
  294    H    LYS  43           H        LYS  43  -4.520   2.161   0.799
  295    HA   LYS  43           HA       LYS  43  -2.524   0.665   2.366
  296    HB2  LYS  43           HB2      LYS  43  -4.079   2.783   3.218
  297    HB3  LYS  43           HB3      LYS  43  -4.976   1.384   3.786
  298    HG2  LYS  43           HG2      LYS  43  -3.293   0.707   5.202
  299    HG3  LYS  43           HG3      LYS  43  -2.041   1.551   4.288
  300    HD2  LYS  43           HD2      LYS  43  -2.183   3.065   5.948
  301    HD3  LYS  43           HD3      LYS  43  -3.602   3.628   5.063
  302    HE2  LYS  43           HE2      LYS  43  -4.410   3.398   7.223
  303    HE3  LYS  43           HE3      LYS  43  -4.881   1.876   6.469
  304    HZ1  LYS  43           HZ1      LYS  43  -2.509   1.200   7.417
  305    HZ2  LYS  43           HZ2      LYS  43  -3.930   1.052   8.325
  306    HZ3  LYS  43           HZ3      LYS  43  -2.915   2.385   8.555
  307    H    ILE  44           H        ILE  44  -2.810  -1.339   1.470
  308    HA   ILE  44           HA       ILE  44  -5.524  -2.449   1.396
  309    HB   ILE  44           HB       ILE  44  -4.386  -4.363   0.176
  310   HG12  ILE  44          HG12      ILE  44  -2.170  -2.586  -0.600
  311   HG13  ILE  44          HG13      ILE  44  -2.074  -3.198   1.048
  312   HG21  ILE  44          HG21      ILE  44  -5.599  -3.056  -1.248
  313   HG22  ILE  44          HG22      ILE  44  -3.982  -2.787  -1.899
  314   HG23  ILE  44          HG23      ILE  44  -4.714  -1.588  -0.832
  315   HD11  ILE  44          HD11      ILE  44  -0.861  -4.644  -0.436
  316   HD12  ILE  44          HD12      ILE  44  -2.281  -4.838  -1.463
  317   HD13  ILE  44          HD13      ILE  44  -2.284  -5.488   0.176
  318    H    THR  45           H        THR  45  -6.194  -3.941   2.804
  319    HA   THR  45           HA       THR  45  -4.294  -4.896   4.812
  320    HB   THR  45           HB       THR  45  -7.278  -5.298   4.864
  321    HG1  THR  45           HG1      THR  45  -7.290  -3.173   4.820
  322   HG21  THR  45          HG21      THR  45  -5.892  -6.493   6.538
  323   HG22  THR  45          HG22      THR  45  -7.044  -5.353   7.236
  324   HG23  THR  45          HG23      THR  45  -5.335  -4.925   7.127
  325    H    CYS  46           H        CYS  46  -3.654  -6.961   4.959
  326    HA   CYS  46           HA       CYS  46  -4.552  -8.813   2.913
  327    HB2  CYS  46           HB2      CYS  46  -2.328  -8.940   4.953
  328    HB3  CYS  46           HB3      CYS  46  -2.720 -10.272   3.878
  329    H    SER  47           H        SER  47  -6.285 -10.017   3.281
  330    HA   SER  47           HA       SER  47  -7.604 -10.428   5.655
  331    HB2  SER  47           HB2      SER  47  -8.688 -11.014   3.603
  332    HB3  SER  47           HB3      SER  47  -7.441 -12.199   3.210
  333    HG   SER  47           HG       SER  47  -9.061 -12.410   5.519
  334    H    SER  48           H        SER  48  -5.366 -12.747   4.121
  335    HA   SER  48           HA       SER  48  -5.263 -14.397   6.461
  336    HB2  SER  48           HB2      SER  48  -4.046 -14.426   3.752
  337    HB3  SER  48           HB3      SER  48  -3.149 -15.253   5.023
  338    HG   SER  48           HG       SER  48  -5.280 -16.110   3.700
  339    H    SER  49           H        SER  49  -4.451 -13.423   8.196
  340    HA   SER  49           HA       SER  49  -2.507 -13.125   9.537
  341    HB2  SER  49           HB2      SER  49  -1.314 -11.688   7.151
  342    HB3  SER  49           HB3      SER  49  -0.518 -11.996   8.689
  343    HG   SER  49           HG       SER  49  -0.269 -14.064   8.175
  344    H    LYS  50           H        LYS  50  -4.487 -11.056   7.719
  345    HA   LYS  50           HA       LYS  50  -5.252  -8.925   8.010
  346    HB2  LYS  50           HB2      LYS  50  -5.103 -10.198  10.647
  347    HB3  LYS  50           HB3      LYS  50  -5.113  -8.442  10.718
  348    HG2  LYS  50           HG2      LYS  50  -7.118  -9.794   8.993
  349    HG3  LYS  50           HG3      LYS  50  -7.341  -9.836  10.743
  350    HD2  LYS  50           HD2      LYS  50  -6.744  -7.220  10.372
  351    HD3  LYS  50           HD3      LYS  50  -7.569  -7.588   8.855
  352    HE2  LYS  50           HE2      LYS  50  -9.268  -8.760  10.544
  353    HE3  LYS  50           HE3      LYS  50  -8.611  -7.537  11.630
  354    HZ1  LYS  50           HZ1      LYS  50  -9.449  -5.831  10.359
  355    HZ2  LYS  50           HZ2      LYS  50 -10.667  -6.994  10.186
  356    HZ3  LYS  50           HZ3      LYS  50  -9.539  -6.760   8.948
  357    H    ARG  51           H        ARG  51  -3.248  -8.212   6.928
  358    HA   ARG  51           HA       ARG  51  -1.740  -6.431   8.699
  359    HB2  ARG  51           HB2      ARG  51  -0.703  -8.722   7.366
  360    HB3  ARG  51           HB3      ARG  51  -0.002  -7.299   6.618
  361    HG2  ARG  51           HG2      ARG  51   0.817  -6.529   8.753
  362    HG3  ARG  51           HG3      ARG  51   0.021  -7.875   9.572
  363    HD2  ARG  51           HD2      ARG  51   1.852  -8.592   7.372
  364    HD3  ARG  51           HD3      ARG  51   2.604  -7.901   8.809
  365    HE   ARG  51           HE       ARG  51   1.386 -10.492   8.563
  366   HH11  ARG  51          HH11      ARG  51   2.274  -7.949  10.782
  367   HH12  ARG  51          HH12      ARG  51   2.345  -9.000  12.156
  368   HH21  ARG  51          HH21      ARG  51   1.478 -11.877  10.369
  369   HH22  ARG  51          HH22      ARG  51   1.894 -11.231  11.921
  370    H    ASN  52           H        ASN  52  -1.777  -4.411   8.015
  371    HA   ASN  52           HA       ASN  52  -2.749  -3.822   5.337
  372    HB2  ASN  52           HB2      ASN  52  -2.919  -1.502   6.134
  373    HB3  ASN  52           HB3      ASN  52  -3.734  -2.615   7.230
  374   HD21  ASN  52          HD21      ASN  52  -2.842  -3.028   9.253
  375   HD22  ASN  52          HD22      ASN  52  -1.640  -2.002   9.950
  376    H    GLU  53           H        GLU  53  -1.294  -3.774   3.762
  377    HA   GLU  53           HA       GLU  53   1.411  -2.808   4.337
  378    HB2  GLU  53           HB2      GLU  53   0.279  -4.790   2.535
  379    HB3  GLU  53           HB3      GLU  53   1.364  -3.689   1.699
  380    HG2  GLU  53           HG2      GLU  53   2.003  -5.397   4.090
  381    HG3  GLU  53           HG3      GLU  53   2.597  -5.600   2.443
  382    H    PHE  54           H        PHE  54   2.464  -1.486   2.634
  383    HA   PHE  54           HA       PHE  54   0.586   0.561   1.677
  384    HB2  PHE  54           HB2      PHE  54   3.421   0.627   2.609
  385    HB3  PHE  54           HB3      PHE  54   2.913   1.815   1.413
  386    HD1  PHE  54           HD1      PHE  54   0.419   2.786   2.081
  387    HD2  PHE  54           HD2      PHE  54   3.440   1.420   4.750
  388    HE1  PHE  54           HE1      PHE  54  -0.536   4.179   3.870
  389    HE2  PHE  54           HE2      PHE  54   2.490   2.812   6.543
  390    HZ   PHE  54           HZ       PHE  54   0.500   4.194   6.104
  391    H    LYS  55           H        LYS  55  -0.026  -0.171  -0.304
  392    HA   LYS  55           HA       LYS  55   2.088  -0.836  -2.236
  393    HB2  LYS  55           HB2      LYS  55  -0.308  -2.110  -1.656
  394    HB3  LYS  55           HB3      LYS  55  -0.654  -1.241  -3.144
  395    HG2  LYS  55           HG2      LYS  55   0.849  -2.463  -4.369
  396    HG3  LYS  55           HG3      LYS  55   1.849  -2.842  -2.966
  397    HD2  LYS  55           HD2      LYS  55   0.665  -4.821  -3.767
  398    HD3  LYS  55           HD3      LYS  55   0.128  -4.371  -2.147
  399    HE2  LYS  55           HE2      LYS  55  -1.774  -4.972  -3.526
  400    HE3  LYS  55           HE3      LYS  55  -1.830  -3.258  -3.120
  401    HZ1  LYS  55           HZ1      LYS  55  -2.262  -4.033  -5.542
  402    HZ2  LYS  55           HZ2      LYS  55  -0.573  -4.102  -5.640
  403    HZ3  LYS  55           HZ3      LYS  55  -1.341  -2.643  -5.261
  404    H    SER  56           H        SER  56   1.275  -0.233  -4.596
  405    HA   SER  56           HA       SER  56   0.467   2.602  -4.515
  406    HB2  SER  56           HB2      SER  56   2.046   3.150  -6.122
  407    HB3  SER  56           HB3      SER  56   2.901   1.885  -5.242
  408    HG   SER  56           HG       SER  56   2.954   0.802  -7.027
  409    H    CYS  57           H        CYS  57  -1.145   3.271  -5.876
  410    HA   CYS  57           HA       CYS  57  -2.135   1.308  -7.833
  411    HB2  CYS  57           HB2      CYS  57  -4.302   1.341  -7.078
  412    HB3  CYS  57           HB3      CYS  57  -3.449   1.527  -5.559
  413    H    ARG  58           H        ARG  58  -3.991   2.465  -9.171
  414    HA   ARG  58           HA       ARG  58  -2.696   4.814 -10.314
  415    HB2  ARG  58           HB2      ARG  58  -5.154   3.593 -11.495
  416    HB3  ARG  58           HB3      ARG  58  -3.778   4.335 -12.296
  417    HG2  ARG  58           HG2      ARG  58  -2.412   2.382 -11.783
  418    HG3  ARG  58           HG3      ARG  58  -3.787   1.634 -10.968
  419    HD2  ARG  58           HD2      ARG  58  -5.048   1.726 -13.091
  420    HD3  ARG  58           HD3      ARG  58  -3.617   2.381 -13.885
  421    HE   ARG  58           HE       ARG  58  -3.145  -0.115 -12.544
  422   HH11  ARG  58          HH11      ARG  58  -4.245   1.374 -15.503
  423   HH12  ARG  58          HH12      ARG  58  -3.874  -0.005 -16.481
  424   HH21  ARG  58          HH21      ARG  58  -2.656  -1.930 -13.830
  425   HH22  ARG  58          HH22      ARG  58  -2.973  -1.881 -15.532
  426    H    SER  59           H        SER  59  -3.373   6.802  -9.892
  427    HA   SER  59           HA       SER  59  -5.909   7.180  -8.511
  428    HB2  SER  59           HB2      SER  59  -3.392   8.363  -8.266
  429    HB3  SER  59           HB3      SER  59  -4.400   9.614  -8.995
  430    HG   SER  59           HG       SER  59  -5.122   8.132  -6.686
  431    H    ALA  60           H        ALA  60  -4.485   7.678 -11.617
  432    HA   ALA  60           HA       ALA  60  -6.007   9.772 -12.630
  433    HB1  ALA  60           HB1      ALA  60  -5.074   9.267 -14.619
  434    HB2  ALA  60           HB2      ALA  60  -5.464   7.552 -14.490
  435    HB3  ALA  60           HB3      ALA  60  -4.066   8.204 -13.636
  436    H    LEU  61           H        LEU  61  -6.962   6.550 -11.845
  437    HA   LEU  61           HA       LEU  61  -9.522   6.950 -13.242
  438    HB2  LEU  61           HB2      LEU  61  -8.000   4.472 -12.500
  439    HB3  LEU  61           HB3      LEU  61  -9.725   4.408 -12.807
  440    HG   LEU  61           HG       LEU  61  -7.741   5.480 -14.807
  441   HD11  LEU  61          HD11      LEU  61  -7.700   3.376 -15.875
  442   HD12  LEU  61          HD12      LEU  61  -8.970   2.737 -14.832
  443   HD13  LEU  61          HD13      LEU  61  -7.368   3.063 -14.172
  444   HD21  LEU  61          HD21      LEU  61 -10.343   4.320 -15.581
  445   HD22  LEU  61          HD22      LEU  61  -9.475   5.706 -16.240
  446   HD23  LEU  61          HD23      LEU  61 -10.392   5.870 -14.742
  447    H    MET  62           H        MET  62  -7.979   6.322 -10.185
  448    HA   MET  62           HA       MET  62 -10.367   5.650  -8.773
  449    HB2  MET  62           HB2      MET  62  -7.653   6.543  -7.796
  450    HB3  MET  62           HB3      MET  62  -8.954   6.012  -6.741
  451    HG2  MET  62           HG2      MET  62  -7.899   4.275  -8.942
  452    HG3  MET  62           HG3      MET  62  -7.147   4.324  -7.349
  453    HE1  MET  62           HE1      MET  62  -8.928   0.993  -7.839
  454    HE2  MET  62           HE2      MET  62  -8.092   1.443  -6.352
  455    HE3  MET  62           HE3      MET  62  -7.432   1.924  -7.915
  456    H    GLU  63           H        GLU  63  -8.258   8.524  -8.607
  457    HA   GLU  63           HA       GLU  63 -10.562  10.264  -8.480
  458    HB2  GLU  63           HB2      GLU  63  -8.859   9.675  -6.102
  459    HB3  GLU  63           HB3      GLU  63  -9.435  11.321  -6.330
  460    HG2  GLU  63           HG2      GLU  63 -11.737  10.022  -6.680
  461    HG3  GLU  63           HG3      GLU  63 -10.920   8.867  -5.628
  462    H    GLN  64           H        GLN  64  -9.712  11.181 -10.354
  463    HA   GLN  64           HA       GLN  64  -7.221  12.710  -9.976
  464    HB2  GLN  64           HB2      GLN  64  -7.532  10.778 -11.816
  465    HB3  GLN  64           HB3      GLN  64  -8.173  12.138 -12.727
  466    HG2  GLN  64           HG2      GLN  64  -5.951  13.288 -11.880
  467    HG3  GLN  64           HG3      GLN  64  -5.412  11.612 -11.787
  468   HE21  GLN  64          HE21      GLN  64  -4.917  14.044 -13.612
  469   HE22  GLN  64          HE22      GLN  64  -5.010  13.367 -15.199
  470    H    ARG  65           H        ARG  65  -7.196  14.853 -10.542
  471    HA   ARG  65           HA       ARG  65  -9.595  16.292 -10.417
  472    HB2  ARG  65           HB2      ARG  65  -6.860  17.127 -11.394
  473    HB3  ARG  65           HB3      ARG  65  -8.193  18.244 -11.134
  474    HG2  ARG  65           HG2      ARG  65  -8.197  17.150  -8.738
  475    HG3  ARG  65           HG3      ARG  65  -6.523  16.785  -9.159
  476    HD2  ARG  65           HD2      ARG  65  -6.584  19.346  -9.899
  477    HD3  ARG  65           HD3      ARG  65  -7.839  19.395  -8.663
  478    HE   ARG  65           HE       ARG  65  -5.465  18.079  -7.763
  479   HH11  ARG  65          HH11      ARG  65  -6.944  21.202  -8.252
  480   HH12  ARG  65          HH12      ARG  65  -5.982  21.986  -7.044
  481   HH21  ARG  65          HH21      ARG  65  -4.200  19.109  -6.173
  482   HH22  ARG  65          HH22      ARG  65  -4.425  20.798  -5.864