NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
616679 5vln 30288 cing 4-filtered-FRED Wattos check violation distance


data_5vln


save_distance_constraint_statistics_1
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            1
    _Distance_constraint_stats_list.Constraint_count              1861
    _Distance_constraint_stats_list.Viol_count                    1684
    _Distance_constraint_stats_list.Viol_total                    2192.213
    _Distance_constraint_stats_list.Viol_max                      1.717
    _Distance_constraint_stats_list.Viol_rms                      0.0896
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0184
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1627
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

Description of the tags in the per residue table below:
*  1 * Chain identifier (can be absent if none defined)                   
*  2 * Residue number                                                     
*  3 * Residue name                                                       
*  4 * Maximum violation in ensemble of models (without any averaging)
*  5 * Model number with the maximum violation
*  6 * Number of models with a violation above cutoff
*  7 * List of models (1 character per model) with a violation above cutoff.
           An '*' marks a violation above the cutoff. A '+' indicates the largest
           violation above the cutoff and a '-' marks the smallest violation over cutoff.
           For models  5, 15, 25,... a ' ' is replaced by a '.'.
           For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
*  8 * Administrative tag
*  9 * Administrative tag

Description of the tags in the per restraint table below:
*  1 * Restraint ID within restraint list.                                
           First node, FIRST member, first atom's:                              
*  2 * Chain identifier (can be absent if none defined)                   
*  3 * Residue number                                                     
*  4 * Residue name                                                       
*  5 * Name of (pseudo-)atom                                              
           First node, SECOND member, first atom's:                             
*  6 * Chain identifier (can be absent if none defined)                   
*  7 * Residue number                                                     
*  8 * Residue name                                                       
*  9 * Name of (pseudo-)atom                                              
           FIRST node's:
*  10 * Target distance value (Angstrom)
*  11 * Lower bound distance (Angstrom)
*  12 * Upper bound distance (Angstrom)
*  13 * Average distance in ensemble of models
*  14 * Minimum distance in ensemble of models
*  15 * Maximum distance in ensemble of models
*  16 * Maximum violation (without any averaging)
*  17 * Model number with the maximum violation
*  18 * Number of models with a violation above cutoff
*  19 * List of models with a violation above cutoff. See description above.
*  20 * Administrative tag
*  21 * Administrative tag
;


    loop_
       _Distance_constraint_stats_per_res.Atom_entity_assembly_ID
       _Distance_constraint_stats_per_res.Atom_comp_index_ID
       _Distance_constraint_stats_per_res.Atom_comp_ID
       _Distance_constraint_stats_per_res.Total_violation
       _Distance_constraint_stats_per_res.Max_violation
       _Distance_constraint_stats_per_res.Max_violation_model_number
       _Distance_constraint_stats_per_res.Over_cutoff_viol_count
       _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model

       1   1 MET  0.742 0.172 2 0 "[    .   ]" 
       1   2 ASP  0.918 0.191 2 0 "[    .   ]" 
       1   3 ASP  1.824 0.249 1 0 "[    .   ]" 
       1   4 ILE  6.314 0.386 1 0 "[    .   ]" 
       1   5 TYR  7.987 1.291 1 1 "[+   .   ]" 
       1   6 LYS  3.692 0.249 1 0 "[    .   ]" 
       1   7 ALA  0.540 0.074 3 0 "[    .   ]" 
       1   8 ALA  3.443 0.938 1 1 "[+   .   ]" 
       1   9 VAL  6.769 0.400 6 0 "[    .   ]" 
       1  10 GLU  4.373 0.400 6 0 "[    .   ]" 
       1  11 GLN 10.931 0.995 1 3 "[+   .* -]" 
       1  12 LEU  5.500 0.551 8 1 "[    .  +]" 
       1  13 THR 12.728 0.995 1 4 "[+   .**-]" 
       1  14 GLU  2.639 0.338 6 0 "[    .   ]" 
       1  15 GLU  2.997 0.221 4 0 "[    .   ]" 
       1  16 GLN  7.009 0.541 4 1 "[   +.   ]" 
       1  17 LYS 10.802 0.957 6 4 "[*   .+-*]" 
       1  18 ASN  3.568 0.338 6 0 "[    .   ]" 
       1  19 GLU  2.887 0.551 8 1 "[    .  +]" 
       1  20 PHE  3.185 0.551 8 1 "[    .  +]" 
       1  21 LYS  3.755 0.659 6 1 "[    .+  ]" 
       1  22 ALA  1.165 0.280 3 0 "[    .   ]" 
       1  23 ALA  1.675 0.626 8 1 "[    .  +]" 
       1  24 PHE  7.345 0.659 6 1 "[    .+  ]" 
       1  25 ASP  5.957 0.540 1 1 "[+   .   ]" 
       1  26 ILE  2.547 0.424 2 0 "[    .   ]" 
       1  27 PHE  4.577 0.766 7 3 "[*   . +-]" 
       1  28 VAL  3.743 0.540 1 1 "[+   .   ]" 
       1  29 LEU  1.671 0.446 2 0 "[    .   ]" 
       1  30 GLY  1.287 0.174 4 0 "[    .   ]" 
       1  31 ALA  2.372 0.174 4 0 "[    .   ]" 
       1  32 GLU  1.780 0.174 4 0 "[    .   ]" 
       1  33 ASP  2.291 0.177 8 0 "[    .   ]" 
       1  34 GLY  0.847 0.101 6 0 "[    .   ]" 
       1  35 SER  7.590 0.920 7 3 "[-*  . + ]" 
       1  36 ILE 13.315 1.676 6 4 "[    -+**]" 
       1  37 SER  0.876 0.358 8 0 "[    .   ]" 
       1  38 THR  5.744 1.143 6 2 "[    .+- ]" 
       1  39 LYS  5.101 0.661 1 1 "[+   .   ]" 
       1  40 GLU  4.741 0.897 1 2 "[+  -.   ]" 
       1  41 LEU  9.210 1.676 6 4 "[    -+**]" 
       1  42 GLY  3.272 0.571 8 1 "[    .  +]" 
       1  43 LYS  1.454 0.487 1 0 "[    .   ]" 
       1  44 VAL  1.273 0.536 1 1 "[+   .   ]" 
       1  45 MET 14.919 0.964 7 5 "[-   **+*]" 
       1  46 ARG  1.681 0.262 1 0 "[    .   ]" 
       1  47 MET  6.892 1.301 6 4 "[*   .+-*]" 
       1  48 LEU 11.193 1.421 6 4 "[-   .+**]" 
       1  49 GLY  1.599 0.214 5 0 "[    .   ]" 
       1  50 GLN  6.533 1.648 1 4 "[+   .**-]" 
       1  51 ASN  0.498 0.097 8 0 "[    .   ]" 
       1  52 PRO  3.775 0.821 8 1 "[    .  +]" 
       1  53 THR  6.150 0.664 6 4 "[*   .+-*]" 
       1  54 PRO  5.492 0.664 6 4 "[*   .+-*]" 
       1  55 GLU  2.939 0.209 4 0 "[    .   ]" 
       1  56 GLU  7.423 0.741 7 2 "[    .-+ ]" 
       1  57 LEU  6.730 0.821 8 2 "[-   .  +]" 
       1  58 GLN  2.723 0.763 5 1 "[    +   ]" 
       1  59 GLU  4.593 1.648 1 3 "[+   . *-]" 
       1  60 MET  6.338 1.226 1 2 "[+   . - ]" 
       1  61 ILE  8.623 1.143 6 4 "[*   *+- ]" 
       1  62 ASP  1.334 0.671 8 1 "[    .  +]" 
       1  63 GLU  7.223 1.648 1 1 "[+   .   ]" 
       1  64 VAL  5.985 0.763 5 1 "[    +   ]" 
       1  65 ASP  0.243 0.169 2 0 "[    .   ]" 
       1  66 GLU  1.194 0.178 3 0 "[    .   ]" 
       1  67 ASP  0.120 0.071 3 0 "[    .   ]" 
       1  68 GLY  0.000 0.000 . 0 "[    .   ]" 
       1  69 SER  0.345 0.116 1 0 "[    .   ]" 
       1  70 GLY  1.040 0.129 5 0 "[    .   ]" 
       1  71 THR 10.159 0.920 7 3 "[-*  . + ]" 
       1  72 VAL  4.294 0.462 7 0 "[    .   ]" 
       1  73 ASP  2.833 0.456 7 0 "[    .   ]" 
       1  74 PHE  2.214 0.199 4 0 "[    .   ]" 
       1  75 ASP  1.383 0.260 3 0 "[    .   ]" 
       1  76 GLU  2.186 0.387 2 0 "[    .   ]" 
       1  77 PHE  3.932 0.313 7 0 "[    .   ]" 
       1  78 LEU  3.863 0.295 1 0 "[    .   ]" 
       1  79 VAL  3.758 0.706 1 1 "[+   .   ]" 
       1  80 MET  1.868 0.300 7 0 "[    .   ]" 
       1  81 MET  6.282 0.498 1 0 "[    .   ]" 
       1  82 VAL  6.912 1.291 1 1 "[+   .   ]" 
       1  83 ARG  2.509 0.266 4 0 "[    .   ]" 
       1  84 SER  2.394 0.871 1 1 "[+   .   ]" 
       1  85 MET  3.107 0.518 1 1 "[+   .   ]" 
       1  86 LYS  6.201 1.717 1 4 "[+ * .-* ]" 
       1  87 ASP  0.657 0.190 6 0 "[    .   ]" 
       1  88 ASP  1.080 0.190 6 0 "[    .   ]" 
       1  89 SER  1.880 0.210 7 0 "[    .   ]" 
       1  90 LYS  8.895 1.717 1 4 "[+ * .-* ]" 
       1  91 GLY  0.127 0.118 6 0 "[    .   ]" 
       1  92 LYS  0.595 0.258 8 0 "[    .   ]" 
       1  93 PHE  0.337 0.140 6 0 "[    .   ]" 
       1  94 LYS  1.050 0.229 2 0 "[    .   ]" 
       1  95 ARG  4.837 1.252 8 3 "[    .*-+]" 
       1  96 PRO  2.545 0.854 6 3 "[    .+-*]" 
       1  97 THR  3.894 1.525 6 2 "[    .+- ]" 
       1  98 LEU  8.355 1.525 6 3 "[    .+-*]" 
       1 100 ARG  5.672 1.648 1 4 "[+   .*-*]" 
       1 101 VAL  6.252 0.741 7 2 "[    .*+ ]" 
       1 102 ARG  4.010 1.648 1 3 "[+   .*- ]" 
       1 103 ILE 13.025 1.538 6 4 "[*   .+-*]" 
       1 104 SER  1.703 0.179 8 0 "[    .   ]" 
       1 105 ALA  3.791 0.518 1 1 "[+   .   ]" 
       1 106 ASP  4.061 0.770 1 4 "[+   .***]" 
       1 107 ALA  1.419 0.228 2 0 "[    .   ]" 
       1 108 MET  8.184 1.538 6 4 "[*   .+*-]" 
       1 109 MET  7.582 0.770 1 4 "[+   .***]" 
       1 110 GLN 16.639 1.421 6 4 "[-   .+**]" 
       1 111 ALA  5.245 1.311 6 4 "[-   .+**]" 
       1 112 LEU  8.070 0.493 8 0 "[    .   ]" 
       1 113 LEU 11.094 1.416 8 5 "[-   ***+]" 
       1 114 GLY  0.549 0.127 6 0 "[    .   ]" 
       1 115 ALA  2.448 0.732 5 1 "[    +   ]" 
       1 116 ARG  7.712 1.041 7 4 "[    *-+*]" 
       1 117 ALA  2.179 0.410 7 0 "[    .   ]" 
       1 118 LYS  1.126 0.554 1 1 "[+   .   ]" 
       1 119 GLY  0.554 0.554 1 1 "[+   .   ]" 
    stop_

    loop_
       _Distance_constraint_stats.Restraint_ID
       _Distance_constraint_stats.Atom_1_entity_assembly_ID
       _Distance_constraint_stats.Atom_1_comp_index_ID
       _Distance_constraint_stats.Atom_1_comp_ID
       _Distance_constraint_stats.Atom_1_ID
       _Distance_constraint_stats.Atom_2_entity_assembly_ID
       _Distance_constraint_stats.Atom_2_comp_index_ID
       _Distance_constraint_stats.Atom_2_comp_ID
       _Distance_constraint_stats.Atom_2_ID
       _Distance_constraint_stats.Node_1_distance_val
       _Distance_constraint_stats.Node_1_distance_lower_bound_val
       _Distance_constraint_stats.Node_1_distance_upper_bound_val
       _Distance_constraint_stats.Distance_average
       _Distance_constraint_stats.Distance_minimum
       _Distance_constraint_stats.Distance_maximum
       _Distance_constraint_stats.Max_violation
       _Distance_constraint_stats.Max_violation_model_number
       _Distance_constraint_stats.Over_cutoff_violation_count
       _Distance_constraint_stats.Over_cutoff_viol_per_model
       _Distance_constraint_stats.Distance_constraint_stats_ID

          1 1   1 MET HA  1   1 MET QB   2.150 .  2.728 2.359 2.252 2.410     . 0 0 "[    .   ]" 1 
          2 1   1 MET HA  1   1 MET ME   3.347 .  4.747 3.769 2.502 4.247     . 0 0 "[    .   ]" 1 
          3 1   1 MET HA  1   1 MET QG   2.545 .  3.355 2.470 2.270 2.660     . 0 0 "[    .   ]" 1 
          4 1   1 MET QB  1   5 TYR QE   5.766 .  9.922 6.115 5.730 6.690     . 0 0 "[    .   ]" 1 
          5 1   1 MET QB  1  79 VAL QG   4.538 .  7.113 3.498 2.695 3.825     . 0 0 "[    .   ]" 1 
          6 1   1 MET ME  1   1 MET QG   2.392 .  3.107 2.213 2.168 2.233     . 0 0 "[    .   ]" 1 
          7 1   1 MET ME  1   6 LYS HA   2.967 .  4.068 2.628 1.936 4.179 0.111 1 0 "[    .   ]" 1 
          8 1   1 MET ME  1   6 LYS HG2  2.896 .  3.944 3.636 3.311 4.040 0.096 1 0 "[    .   ]" 1 
          9 1   1 MET ME  1   6 LYS HG3  3.150 .  4.391 2.600 2.045 3.252     . 0 0 "[    .   ]" 1 
         10 1   1 MET ME  1  79 VAL QG   2.261 .  2.900 1.919 1.832 2.051     . 0 0 "[    .   ]" 1 
         11 1   1 MET QG  1   6 LYS QB   3.023 .  4.165 2.882 2.479 3.708     . 0 0 "[    .   ]" 1 
         12 1   1 MET QG  1  79 VAL HB   3.335 .  4.725 3.668 3.150 4.400     . 0 0 "[    .   ]" 1 
         13 1   1 MET QG  1  79 VAL QG   3.356 .  4.764 1.920 1.781 2.016 0.172 2 0 "[    .   ]" 1 
         14 1   2 ASP HA  1   2 ASP HB2  2.298 .  2.958 2.981 2.728 3.023 0.065 5 0 "[    .   ]" 1 
         15 1   2 ASP HB2 1   4 ILE QG   3.837 .  5.677 5.671 5.352 5.868 0.191 2 0 "[    .   ]" 1 
         16 1   2 ASP HB2 1   5 TYR QD   3.194 .  4.469 2.072 1.863 2.615 0.056 1 0 "[    .   ]" 1 
         17 1   2 ASP HB2 1   5 TYR QD   2.399 .  3.119 2.052 1.854 2.567     . 0 0 "[    .   ]" 1 
         18 1   2 ASP HB2 1   5 TYR QE   2.549 .  3.361 2.772 2.511 3.091     . 0 0 "[    .   ]" 1 
         19 1   2 ASP HB3 1   3 ASP H    3.213 .  4.503 2.626 2.541 2.698     . 0 0 "[    .   ]" 1 
         20 1   2 ASP HB3 1   4 ILE H    3.751 .  5.510 2.963 2.853 3.105     . 0 0 "[    .   ]" 1 
         21 1   2 ASP HB3 1   4 ILE QG   3.603 .  5.226 4.794 4.408 5.053     . 0 0 "[    .   ]" 1 
         22 1   2 ASP HB3 1   4 ILE MG   2.875 .  3.908 1.938 1.783 1.999 0.059 7 0 "[    .   ]" 1 
         23 1   2 ASP HB3 1   5 TYR QD   3.084 .  4.273 3.234 2.419 3.549     . 0 0 "[    .   ]" 1 
         24 1   3 ASP HA  1   3 ASP HB2  2.379 .  3.087 2.461 2.409 2.502     . 0 0 "[    .   ]" 1 
         25 1   3 ASP HA  1   3 ASP QB   2.047 .  2.571 2.168 2.164 2.171     . 0 0 "[    .   ]" 1 
         26 1   3 ASP HA  1   3 ASP HB3  2.194 .  2.796 2.410 2.368 2.463     . 0 0 "[    .   ]" 1 
         27 1   3 ASP HA  1   4 ILE H    2.524 .  3.320 3.390 3.362 3.416 0.096 1 0 "[    .   ]" 1 
         28 1   3 ASP HA  1   6 LYS H    2.925 .  3.994 2.445 2.325 2.512     . 0 0 "[    .   ]" 1 
         29 1   3 ASP HA  1   6 LYS QB   2.414 .  3.142 1.820 1.727 1.962     . 0 0 "[    .   ]" 1 
         30 1   3 ASP HA  1   6 LYS QD   2.586 .  3.422 3.350 3.123 3.495 0.073 1 0 "[    .   ]" 1 
         31 1   3 ASP HB2 1   4 ILE MD   4.364 .  6.745 6.187 5.736 6.639     . 0 0 "[    .   ]" 1 
         32 1   3 ASP HB2 1   6 LYS QB   2.582 .  3.415 2.883 2.820 2.965     . 0 0 "[    .   ]" 1 
         33 1   3 ASP HB3 1   6 LYS QB   2.487 .  3.260 3.318 3.146 3.509 0.249 1 0 "[    .   ]" 1 
         34 1   3 ASP HB3 1   6 LYS QD   2.633 .  3.499 3.529 3.414 3.723 0.224 1 0 "[    .   ]" 1 
         35 1   4 ILE H   1   4 ILE HA   2.812 .  3.801 2.803 2.788 2.822     . 0 0 "[    .   ]" 1 
         36 1   4 ILE H   1   4 ILE HB   2.629 .  3.493 2.730 2.659 2.771     . 0 0 "[    .   ]" 1 
         37 1   4 ILE H   1   4 ILE MG   2.729 .  3.660 1.844 1.793 1.892 0.005 7 0 "[    .   ]" 1 
         38 1   4 ILE H   1   5 TYR H    2.697 .  3.606 2.633 2.577 2.701     . 0 0 "[    .   ]" 1 
         39 1   4 ILE HA  1   4 ILE HB   2.128 .  2.694 2.381 2.344 2.393     . 0 0 "[    .   ]" 1 
         40 1   4 ILE HA  1   4 ILE MD   2.633 .  3.500 3.408 2.222 3.886 0.386 1 0 "[    .   ]" 1 
         41 1   4 ILE HA  1   4 ILE QG   2.370 .  3.072 2.614 2.409 3.050     . 0 0 "[    .   ]" 1 
         42 1   4 ILE HA  1   4 ILE MG   2.335 .  3.016 3.180 3.165 3.190 0.174 3 0 "[    .   ]" 1 
         43 1   4 ILE HA  1   5 TYR H    3.754 .  5.515 3.495 3.471 3.524     . 0 0 "[    .   ]" 1 
         44 1   4 ILE HA  1   7 ALA MB   2.341 .  3.026 2.990 2.824 3.084 0.058 2 0 "[    .   ]" 1 
         45 1   4 ILE HB  1   4 ILE MD   2.194 .  2.796 2.406 2.277 2.519     . 0 0 "[    .   ]" 1 
         46 1   4 ILE HB  1   4 ILE QG   2.226 .  2.845 2.379 2.334 2.443     . 0 0 "[    .   ]" 1 
         47 1   4 ILE HB  1   4 ILE MG   2.037 .  2.556 2.118 2.112 2.124     . 0 0 "[    .   ]" 1 
         48 1   4 ILE HB  1   5 TYR H    3.192 .  4.466 3.930 3.872 4.009     . 0 0 "[    .   ]" 1 
         49 1   4 ILE HB  1   5 TYR QD   3.021 .  4.162 4.201 3.781 4.428 0.266 4 0 "[    .   ]" 1 
         50 1   4 ILE MD  1   4 ILE QG   1.789 .  2.189 1.885 1.882 1.888     . 0 0 "[    .   ]" 1 
         51 1   4 ILE MD  1   5 TYR QE   3.280 .  4.625 3.577 2.923 4.648 0.023 2 0 "[    .   ]" 1 
         52 1   4 ILE MD  1   5 TYR QE   2.540 .  3.346 3.038 2.735 3.259     . 0 0 "[    .   ]" 1 
         53 1   4 ILE MD  1   7 ALA MB   4.830 .  7.746 4.884 3.525 5.494     . 0 0 "[    .   ]" 1 
         54 1   4 ILE MD  1  90 LYS QE   3.204 .  4.487 2.744 1.980 3.885     . 0 0 "[    .   ]" 1 
         55 1   4 ILE QG  1   5 TYR H    3.031 .  4.180 3.375 3.252 3.537     . 0 0 "[    .   ]" 1 
         56 1   4 ILE QG  1   5 TYR QD   3.508 .  5.046 3.156 2.867 3.654     . 0 0 "[    .   ]" 1 
         57 1   4 ILE QG  1   5 TYR QE   4.100 .  6.202 3.509 3.127 3.952     . 0 0 "[    .   ]" 1 
         58 1   4 ILE QG  1   5 TYR QE   2.387 .  3.099 2.673 2.493 3.067     . 0 0 "[    .   ]" 1 
         59 1   4 ILE MG  1   5 TYR HA   3.216 .  4.509 3.546 3.463 3.699     . 0 0 "[    .   ]" 1 
         60 1   4 ILE MG  1   5 TYR HB2  3.447 .  4.932 3.450 3.246 3.648     . 0 0 "[    .   ]" 1 
         61 1   4 ILE MG  1   5 TYR QD   2.650 .  3.528 2.846 2.658 2.992     . 0 0 "[    .   ]" 1 
         62 1   4 ILE MG  1   5 TYR QE   2.878 .  3.913 3.066 2.826 3.224     . 0 0 "[    .   ]" 1 
         63 1   4 ILE MG  1   7 ALA MB   4.050 .  6.100 4.941 4.780 5.051     . 0 0 "[    .   ]" 1 
         64 1   4 ILE MG  1   8 ALA MB   4.847 .  7.784 4.433 4.344 4.538     . 0 0 "[    .   ]" 1 
         65 1   4 ILE MG  1   8 ALA MB   3.346 .  4.745 4.854 4.666 4.940 0.195 7 0 "[    .   ]" 1 
         66 1   4 ILE MG  1  90 LYS QE   2.466 .  3.226 3.048 2.746 3.448 0.222 8 0 "[    .   ]" 1 
         67 1   5 TYR H   1   5 TYR HA   2.600 .  3.445 2.869 2.849 2.894     . 0 0 "[    .   ]" 1 
         68 1   5 TYR H   1   5 TYR HB2  2.507 .  3.293 2.413 2.260 2.536     . 0 0 "[    .   ]" 1 
         69 1   5 TYR H   1   5 TYR QD   3.173 .  4.431 3.092 2.707 3.213     . 0 0 "[    .   ]" 1 
         70 1   5 TYR H   1   6 LYS H    2.413 .  3.141 2.323 2.273 2.352     . 0 0 "[    .   ]" 1 
         71 1   5 TYR HA  1   5 TYR HB2  2.229 .  2.850 3.006 2.988 3.021 0.171 8 0 "[    .   ]" 1 
         72 1   5 TYR HA  1   5 TYR HB3  2.407 .  3.131 2.434 2.401 2.489     . 0 0 "[    .   ]" 1 
         73 1   5 TYR HA  1   5 TYR QD   2.103 .  2.656 2.181 1.909 2.527     . 0 0 "[    .   ]" 1 
         74 1   5 TYR HA  1   8 ALA H    3.331 .  4.718 3.041 2.581 3.191     . 0 0 "[    .   ]" 1 
         75 1   5 TYR HA  1   8 ALA MB   2.173 .  2.763 2.387 1.952 2.532     . 0 0 "[    .   ]" 1 
         76 1   5 TYR HA  1  82 VAL HB   2.977 .  4.085 4.062 3.418 5.376 1.291 1 1 "[+   .   ]" 1 
         77 1   5 TYR HA  1  82 VAL QG   2.429 .  3.166 1.956 1.792 2.584 0.071 7 0 "[    .   ]" 1 
         78 1   5 TYR HB2 1   5 TYR QD   2.084 .  2.627 2.286 2.244 2.343     . 0 0 "[    .   ]" 1 
         79 1   5 TYR HB2 1   6 LYS H    2.754 .  3.702 2.724 2.651 2.881     . 0 0 "[    .   ]" 1 
         80 1   5 TYR HB2 1  79 VAL QG   2.789 .  3.472 1.907 1.700 2.150 0.117 2 0 "[    .   ]" 1 
         81 1   5 TYR HB2 1  82 VAL QG   2.932 .  4.006 3.134 2.963 3.274     . 0 0 "[    .   ]" 1 
         82 1   5 TYR HB3 1   5 TYR QD   2.129 .  2.696 2.697 2.517 2.751 0.055 3 0 "[    .   ]" 1 
         83 1   5 TYR HB3 1   8 ALA MB   3.872 .  5.746 3.646 3.105 3.816     . 0 0 "[    .   ]" 1 
         84 1   5 TYR HB3 1  79 VAL QG   3.366 .  4.782 2.278 2.097 2.542     . 0 0 "[    .   ]" 1 
         85 1   5 TYR HB3 1  79 VAL QG   2.820 .  3.814 1.785 1.662 1.929 0.164 3 0 "[    .   ]" 1 
         86 1   5 TYR HB3 1  82 VAL QG       . .  3.763 1.873 1.742 2.092 0.169 3 0 "[    .   ]" 1 
         87 1   5 TYR QD  1   8 ALA MB   2.952 .  4.042 3.453 2.999 3.713     . 0 0 "[    .   ]" 1 
         88 1   5 TYR QD  1  72 VAL QG   5.821 . 10.057 7.208 6.366 7.939     . 0 0 "[    .   ]" 1 
         89 1   5 TYR QD  1  79 VAL QG   2.293 .  2.950 2.066 1.835 2.751     . 0 0 "[    .   ]" 1 
         90 1   5 TYR QD  1  82 VAL HB   3.102 .  4.305 4.261 3.424 5.479 1.174 1 1 "[+   .   ]" 1 
         91 1   5 TYR QD  1  82 VAL QG   2.959 .  3.259 2.011 1.731 2.549 0.134 8 0 "[    .   ]" 1 
         92 1   5 TYR QD  1  83 ARG HA   3.086 .  4.276 3.453 2.541 3.863     . 0 0 "[    .   ]" 1 
         93 1   5 TYR QD  1  83 ARG QD   3.305 .  4.670 3.533 3.250 4.269     . 0 0 "[    .   ]" 1 
         94 1   5 TYR QD  1  83 ARG HG3  4.741 .  7.550 3.457 3.132 3.732     . 0 0 "[    .   ]" 1 
         95 1   5 TYR QE  1  79 VAL QG   3.482 .  3.633 3.499 3.268 4.339 0.706 1 1 "[+   .   ]" 1 
         96 1   5 TYR QE  1  82 VAL QG   4.264 .  5.542 3.528 3.305 4.300     . 0 0 "[    .   ]" 1 
         97 1   5 TYR QE  1  83 ARG HA   2.567 .  3.391 3.006 2.816 3.158     . 0 0 "[    .   ]" 1 
         98 1   5 TYR QE  1  83 ARG QD   4.126 .  6.254 3.453 3.069 4.081     . 0 0 "[    .   ]" 1 
         99 1   5 TYR QE  1  83 ARG HG3  3.017 .  4.155 3.860 3.649 4.184 0.029 1 0 "[    .   ]" 1 
        100 1   5 TYR QE  1  86 LYS QB   3.666 .  5.346 4.128 2.417 4.914     . 0 0 "[    .   ]" 1 
        101 1   5 TYR QE  1  90 LYS QD   2.731 .  3.664 3.360 2.278 3.839 0.175 4 0 "[    .   ]" 1 
        102 1   5 TYR QE  1  90 LYS QG   2.608 .  3.458 2.394 1.951 2.732     . 0 0 "[    .   ]" 1 
        103 1   6 LYS H   1   6 LYS HA   2.598 .  3.442 2.816 2.804 2.833     . 0 0 "[    .   ]" 1 
        104 1   6 LYS H   1   6 LYS QB   2.194 .  2.796 2.239 2.205 2.292     . 0 0 "[    .   ]" 1 
        105 1   6 LYS H   1   6 LYS HG2  3.172 .  4.430 4.435 4.413 4.458 0.028 6 0 "[    .   ]" 1 
        106 1   6 LYS HA  1   6 LYS QB   1.824 .  2.240 2.397 2.370 2.431 0.191 1 0 "[    .   ]" 1 
        107 1   6 LYS HA  1   6 LYS QE   2.647 .  3.523 3.015 2.309 3.462     . 0 0 "[    .   ]" 1 
        108 1   6 LYS HA  1   6 LYS HG2  2.102 .  2.654 2.550 2.390 2.691 0.037 8 0 "[    .   ]" 1 
        109 1   6 LYS HA  1   6 LYS HG3  2.450 .  3.201 2.759 2.672 2.961     . 0 0 "[    .   ]" 1 
        110 1   6 LYS HA  1   7 ALA H    2.834 .  3.838 3.522 3.500 3.544     . 0 0 "[    .   ]" 1 
        111 1   6 LYS HA  1   9 VAL HB   2.382 .  3.091 2.187 1.986 2.356     . 0 0 "[    .   ]" 1 
        112 1   6 LYS HA  1   9 VAL MG1  2.798 .  3.777 3.546 3.280 3.780 0.003 7 0 "[    .   ]" 1 
        113 1   6 LYS HA  1   9 VAL MG2  2.189 .  2.788 2.465 2.139 2.782     . 0 0 "[    .   ]" 1 
        114 1   6 LYS HA  1  78 LEU HG   3.550 .  5.125 4.187 2.958 4.465     . 0 0 "[    .   ]" 1 
        115 1   6 LYS QB  1   6 LYS QE   2.444 .  3.191 2.131 1.793 3.415 0.224 4 0 "[    .   ]" 1 
        116 1   6 LYS QB  1   6 LYS HG3  2.056 .  2.584 2.206 2.161 2.231     . 0 0 "[    .   ]" 1 
        117 1   6 LYS QB  1   7 ALA H    2.448 .  3.197 2.681 2.572 2.789     . 0 0 "[    .   ]" 1 
        118 1   6 LYS QB  1   7 ALA HA   2.988 .  4.104 4.106 4.072 4.144 0.040 3 0 "[    .   ]" 1 
        119 1   6 LYS QE  1   6 LYS HG2  1.884 .  2.328 2.026 1.949 2.119     . 0 0 "[    .   ]" 1 
        120 1   6 LYS QE  1   9 VAL MG1  4.802 .  7.685 3.557 3.289 3.850     . 0 0 "[    .   ]" 1 
        121 1   6 LYS QE  1  10 GLU QG   2.282 .  2.933 2.595 2.486 2.757     . 0 0 "[    .   ]" 1 
        122 1   6 LYS HG2 1   9 VAL MG1  2.729 .  3.660 3.426 2.927 3.813 0.153 7 0 "[    .   ]" 1 
        123 1   6 LYS HG2 1  10 GLU QG   3.844 .  5.691 3.027 2.540 3.725     . 0 0 "[    .   ]" 1 
        124 1   7 ALA H   1   7 ALA HA   2.709 .  3.626 2.845 2.816 2.872     . 0 0 "[    .   ]" 1 
        125 1   7 ALA H   1   7 ALA MB   2.162 .  2.746 2.246 2.233 2.267     . 0 0 "[    .   ]" 1 
        126 1   7 ALA H   1   8 ALA H    2.305 .  2.969 2.531 2.455 2.592     . 0 0 "[    .   ]" 1 
        127 1   7 ALA HA  1   7 ALA MB   1.804 .  2.211 2.111 2.093 2.129     . 0 0 "[    .   ]" 1 
        128 1   7 ALA HA  1   8 ALA H    2.439 .  3.183 2.711 2.697 2.734     . 0 0 "[    .   ]" 1 
        129 1   7 ALA HA  1   9 VAL H    3.779 .  5.564 3.345 3.274 3.408     . 0 0 "[    .   ]" 1 
        130 1   7 ALA HA  1  10 GLU QG   2.459 .  3.215 1.957 1.629 2.503 0.074 3 0 "[    .   ]" 1 
        131 1   7 ALA HA  1  11 GLN H    2.657 .  3.540 3.155 2.752 3.241     . 0 0 "[    .   ]" 1 
        132 1   7 ALA HA  1  10 GLU H    2.344 .  3.031 2.462 2.278 2.580     . 0 0 "[    .   ]" 1 
        133 1   7 ALA HA  1  10 GLU QB   2.101 .  2.653 2.180 2.057 2.398     . 0 0 "[    .   ]" 1 
        134 1   7 ALA HA  1  10 GLU QG   2.233 .  2.856 1.970 1.630 2.534     . 0 0 "[    .   ]" 1 
        135 1   7 ALA MB  1   8 ALA H    2.519 .  3.312 2.728 2.558 2.871     . 0 0 "[    .   ]" 1 
        136 1   7 ALA MB  1  10 GLU QB   2.571 .  3.397 3.226 2.884 3.410 0.013 4 0 "[    .   ]" 1 
        137 1   7 ALA MB  1  10 GLU QG   2.942 .  4.024 3.444 3.233 3.885     . 0 0 "[    .   ]" 1 
        138 1   8 ALA H   1   8 ALA MB   2.173 .  2.763 2.235 2.222 2.282     . 0 0 "[    .   ]" 1 
        139 1   8 ALA H   1   9 VAL H    2.394 .  3.111 2.591 2.526 2.683     . 0 0 "[    .   ]" 1 
        140 1   8 ALA HA  1   8 ALA MB   1.971 .  2.457 2.137 2.132 2.143     . 0 0 "[    .   ]" 1 
        141 1   8 ALA HA  1  11 GLN HB2  2.796 .  3.773 3.661 2.394 3.936 0.163 8 0 "[    .   ]" 1 
        142 1   8 ALA HA  1  82 VAL QG   4.073 .  6.147 3.950 3.341 4.167     . 0 0 "[    .   ]" 1 
        143 1   8 ALA MB  1   9 VAL H    2.579 .  3.410 2.460 2.303 2.804     . 0 0 "[    .   ]" 1 
        144 1   8 ALA MB  1   9 VAL HA   3.223 .  4.522 3.974 3.877 4.194     . 0 0 "[    .   ]" 1 
        145 1   8 ALA MB  1  10 GLU QG   4.019 .  6.038 4.896 4.007 5.163     . 0 0 "[    .   ]" 1 
        146 1   8 ALA MB  1  11 GLN HB2  3.680 .  5.372 5.024 3.976 5.248     . 0 0 "[    .   ]" 1 
        147 1   8 ALA MB  1  79 VAL HA   3.357 .  4.766 4.824 4.621 4.922 0.156 8 0 "[    .   ]" 1 
        148 1   8 ALA MB  1  79 VAL HA   3.354 .  4.760 4.584 4.255 4.694     . 0 0 "[    .   ]" 1 
        149 1   8 ALA MB  1  82 VAL HA   2.877 .  3.911 3.681 3.545 4.030 0.119 1 0 "[    .   ]" 1 
        150 1   8 ALA MB  1  82 VAL HB   2.243 .  2.872 2.308 1.999 3.810 0.938 1 1 "[+   .   ]" 1 
        151 1   8 ALA MB  1  82 VAL QG   2.316 .  2.530 1.800 1.687 1.906     . 0 0 "[    .   ]" 1 
        152 1   8 ALA MB  1  85 MET QB   3.735 .  5.478 3.487 3.087 3.885     . 0 0 "[    .   ]" 1 
        153 1   8 ALA MB  1  85 MET ME   2.373 .  3.077 2.817 2.410 3.089 0.012 2 0 "[    .   ]" 1 
        154 1   9 VAL H   1   9 VAL HA   2.858 .  3.879 2.815 2.775 2.866     . 0 0 "[    .   ]" 1 
        155 1   9 VAL H   1   9 VAL HB   2.253 .  2.888 2.350 2.159 2.486     . 0 0 "[    .   ]" 1 
        156 1   9 VAL H   1   9 VAL MG2  2.149 .  2.727 2.223 2.108 2.405     . 0 0 "[    .   ]" 1 
        157 1   9 VAL H   1  10 GLU H    2.532 .  3.334 2.620 2.534 2.726     . 0 0 "[    .   ]" 1 
        158 1   9 VAL HA  1   9 VAL HB   2.514 .  3.304 3.016 2.964 3.049     . 0 0 "[    .   ]" 1 
        159 1   9 VAL HA  1   9 VAL MG1  2.311 .  2.978 2.564 2.423 2.737     . 0 0 "[    .   ]" 1 
        160 1   9 VAL HA  1   9 VAL MG2  2.277 .  2.925 2.270 2.164 2.408     . 0 0 "[    .   ]" 1 
        161 1   9 VAL HA  1   9 VAL MG2  1.748 .  2.130 1.798 1.739 1.862     . 0 0 "[    .   ]" 1 
        162 1   9 VAL HA  1  11 GLN H    4.767 .  7.608 4.079 3.792 4.249     . 0 0 "[    .   ]" 1 
        163 1   9 VAL HA  1  12 LEU H    3.272 .  4.610 2.929 2.753 3.109     . 0 0 "[    .   ]" 1 
        164 1   9 VAL HA  1  12 LEU HB2  2.865 .  3.891 1.924 1.839 2.150 0.000 7 0 "[    .   ]" 1 
        165 1   9 VAL HA  1  12 LEU MD1  2.598 .  3.442 1.887 1.811 1.966     . 0 0 "[    .   ]" 1 
        166 1   9 VAL HA  1  12 LEU MD2  2.788 .  3.759 3.869 3.780 3.900 0.141 8 0 "[    .   ]" 1 
        167 1   9 VAL HA  1  12 LEU HG   1.986 .  2.479 2.430 2.228 2.509 0.030 7 0 "[    .   ]" 1 
        168 1   9 VAL HA  1  17 LYS HG3  3.042 .  4.199 4.284 4.201 4.409 0.210 1 0 "[    .   ]" 1 
        169 1   9 VAL HA  1  78 LEU QD   2.996 .  4.118 3.723 3.645 3.867     . 0 0 "[    .   ]" 1 
        170 1   9 VAL HA  1  82 VAL QG   2.749 .  3.694 3.455 2.769 3.982 0.288 8 0 "[    .   ]" 1 
        171 1   9 VAL HB  1   9 VAL MG1  2.020 .  2.530 2.127 2.118 2.146     . 0 0 "[    .   ]" 1 
        172 1   9 VAL HB  1   9 VAL QG   1.744 .  2.124 1.893 1.885 1.908     . 0 0 "[    .   ]" 1 
        173 1   9 VAL HB  1   9 VAL MG2  1.989 .  2.483 2.122 2.110 2.139     . 0 0 "[    .   ]" 1 
        174 1   9 VAL MG1 1  10 GLU HA   2.554 .  3.369 3.276 2.877 3.563 0.194 1 0 "[    .   ]" 1 
        175 1   9 VAL MG1 1  10 GLU QB   4.631 .  7.312 4.528 3.865 4.810     . 0 0 "[    .   ]" 1 
        176 1   9 VAL MG1 1  10 GLU QG   2.651 .  3.530 3.480 2.317 3.930 0.400 6 0 "[    .   ]" 1 
        177 1   9 VAL MG1 1  12 LEU HB2  3.078 .  4.262 3.012 2.881 3.314     . 0 0 "[    .   ]" 1 
        178 1   9 VAL MG1 1  17 LYS HE3  2.722 .  3.648 2.482 2.127 2.732     . 0 0 "[    .   ]" 1 
        179 1   9 VAL MG1 1  17 LYS HE3  4.062 .  6.124 2.495 2.132 2.772     . 0 0 "[    .   ]" 1 
        180 1   9 VAL MG2 1  10 GLU H    2.695 .  3.603 3.836 3.734 3.892 0.289 4 0 "[    .   ]" 1 
        181 1   9 VAL MG2 1  10 GLU QG   2.374 .  3.078 2.273 1.715 2.890     . 0 0 "[    .   ]" 1 
        182 1   9 VAL MG2 1  17 LYS HG3  2.403 .  3.125 3.128 3.049 3.191 0.066 3 0 "[    .   ]" 1 
        183 1   9 VAL MG2 1  80 MET H    4.805 .  7.691 5.036 4.483 5.284     . 0 0 "[    .   ]" 1 
        184 1   9 VAL MG2 1  75 ASP HB2  3.515 .  5.060 4.988 4.181 5.320 0.260 3 0 "[    .   ]" 1 
        185 1  10 GLU H   1  10 GLU QB   2.015 .  2.523 2.419 2.199 2.505     . 0 0 "[    .   ]" 1 
        186 1  10 GLU H   1  10 GLU QG   2.871 .  3.901 2.163 2.014 2.374     . 0 0 "[    .   ]" 1 
        187 1  10 GLU H   1  11 GLN H    2.464 .  3.223 2.585 2.385 2.712     . 0 0 "[    .   ]" 1 
        188 1  10 GLU HA  1  10 GLU QB   1.860 .  2.292 2.356 2.338 2.386 0.094 4 0 "[    .   ]" 1 
        189 1  10 GLU HA  1  10 GLU QG   2.232 .  2.855 2.565 2.347 2.929 0.074 7 0 "[    .   ]" 1 
        190 1  10 GLU HA  1  10 GLU QG   2.073 .  2.610 2.238 2.134 2.339     . 0 0 "[    .   ]" 1 
        191 1  10 GLU QB  1  10 GLU QG   1.901 .  2.188 2.034 1.991 2.072     . 0 0 "[    .   ]" 1 
        192 1  10 GLU QG  1  17 LYS QD   3.412 .  4.867 3.261 2.820 3.917     . 0 0 "[    .   ]" 1 
        193 1  11 GLN H   1  11 GLN HA   2.350 .  3.041 2.891 2.871 2.911     . 0 0 "[    .   ]" 1 
        194 1  11 GLN H   1  11 GLN HB2  2.332 .  3.012 2.720 2.605 2.779     . 0 0 "[    .   ]" 1 
        195 1  11 GLN H   1  11 GLN HB3  2.148 .  2.725 2.463 2.357 2.514     . 0 0 "[    .   ]" 1 
        196 1  11 GLN HA  1  11 GLN HB2  2.407 .  3.131 2.432 2.407 2.464     . 0 0 "[    .   ]" 1 
        197 1  11 GLN HA  1  11 GLN HB3  2.253 .  2.887 2.993 2.988 3.001 0.114 5 0 "[    .   ]" 1 
        198 1  11 GLN HA  1  11 GLN HG2  2.124 .  2.688 3.070 2.946 3.628 0.940 1 1 "[+   .   ]" 1 
        199 1  11 GLN HA  1  11 GLN HG3  2.358 .  3.053 2.612 2.430 3.315 0.262 1 0 "[    .   ]" 1 
        200 1  11 GLN HA  1  12 LEU H    2.796 .  3.773 3.521 3.489 3.534     . 0 0 "[    .   ]" 1 
        201 1  11 GLN HA  1  13 THR MG   3.124 .  4.344 4.735 4.408 5.339 0.995 1 3 "[+   .* -]" 1 
        202 1  11 GLN HB2 1  11 GLN HG3  1.974 .  2.461 2.449 2.333 2.924 0.463 1 0 "[    .   ]" 1 
        203 1  11 GLN HB2 1  12 LEU MD1  4.410 .  6.840 5.156 4.729 5.457     . 0 0 "[    .   ]" 1 
        204 1  11 GLN HG2 1  13 THR MG   3.252 .  4.574 3.862 3.350 4.084     . 0 0 "[    .   ]" 1 
        205 1  11 GLN HG3 1  13 THR MG   3.356 .  4.764 5.060 4.930 5.381 0.617 1 1 "[+   .   ]" 1 
        206 1  12 LEU H   1  12 LEU HA   2.668 .  3.558 2.763 2.744 2.775     . 0 0 "[    .   ]" 1 
        207 1  12 LEU H   1  12 LEU HB2  2.150 .  2.728 2.402 2.317 2.472     . 0 0 "[    .   ]" 1 
        208 1  12 LEU H   1  12 LEU HB3  2.808 .  3.793 3.537 3.497 3.565     . 0 0 "[    .   ]" 1 
        209 1  12 LEU H   1  12 LEU HG   2.092 .  2.639 2.360 2.260 2.492     . 0 0 "[    .   ]" 1 
        210 1  12 LEU HA  1  12 LEU HB2  2.334 .  3.015 2.990 2.979 3.006     . 0 0 "[    .   ]" 1 
        211 1  12 LEU HA  1  12 LEU HB3  2.606 .  3.455 2.509 2.473 2.549     . 0 0 "[    .   ]" 1 
        212 1  12 LEU HA  1  12 LEU HB3  2.255 .  2.891 2.435 2.384 2.484     . 0 0 "[    .   ]" 1 
        213 1  12 LEU HA  1  12 LEU MD1  2.965 .  4.064 3.806 3.780 3.839     . 0 0 "[    .   ]" 1 
        214 1  12 LEU HA  1  12 LEU MD2  2.057 .  2.586 1.952 1.901 2.024     . 0 0 "[    .   ]" 1 
        215 1  12 LEU HA  1  12 LEU HG   2.366 .  3.066 3.091 3.054 3.134 0.068 4 0 "[    .   ]" 1 
        216 1  12 LEU HA  1  13 THR H    2.010 .  2.515 2.153 2.106 2.210     . 0 0 "[    .   ]" 1 
        217 1  12 LEU HA  1  16 GLN HB2  3.003 .  4.130 2.972 2.893 3.050     . 0 0 "[    .   ]" 1 
        218 1  12 LEU HA  1  16 GLN HB3  2.514 .  3.304 3.000 2.539 3.286     . 0 0 "[    .   ]" 1 
        219 1  12 LEU HA  1  85 MET ME   3.806 .  5.617 4.620 3.248 5.245     . 0 0 "[    .   ]" 1 
        220 1  12 LEU HB2 1  12 LEU MD1  1.982 .  2.473 2.363 2.272 2.408     . 0 0 "[    .   ]" 1 
        221 1  12 LEU HB2 1  12 LEU HG   2.330 .  3.009 2.406 2.353 2.441     . 0 0 "[    .   ]" 1 
        222 1  12 LEU HB2 1  13 THR H    3.833 .  5.670 4.058 3.941 4.162     . 0 0 "[    .   ]" 1 
        223 1  12 LEU HB2 1  13 THR MG   2.608 .  3.458 3.586 3.479 3.667 0.209 4 0 "[    .   ]" 1 
        224 1  12 LEU HB2 1  16 GLN HB3  4.114 .  6.230 4.687 4.643 4.757     . 0 0 "[    .   ]" 1 
        225 1  12 LEU HB2 1  17 LYS QD   2.319 .  2.991 2.671 2.546 2.752     . 0 0 "[    .   ]" 1 
        226 1  12 LEU HB3 1  12 LEU MD1  2.033 .  2.549 2.316 2.264 2.386     . 0 0 "[    .   ]" 1 
        227 1  12 LEU HB3 1  12 LEU MD2  2.190 .  2.789 2.328 2.286 2.439     . 0 0 "[    .   ]" 1 
        228 1  12 LEU HB3 1  12 LEU HG   2.474 .  3.239 2.997 2.987 3.004     . 0 0 "[    .   ]" 1 
        229 1  12 LEU HB3 1  16 GLN HB3  3.297 .  4.656 3.049 2.957 3.110     . 0 0 "[    .   ]" 1 
        230 1  12 LEU HB3 1  20 PHE QE   3.408 .  4.859 3.603 3.484 3.755     . 0 0 "[    .   ]" 1 
        231 1  12 LEU MD1 1  12 LEU HG   2.239 .  2.866 2.127 2.119 2.134     . 0 0 "[    .   ]" 1 
        232 1  12 LEU MD1 1  15 GLU QB   3.281 .  4.626 4.278 4.009 4.579     . 0 0 "[    .   ]" 1 
        233 1  12 LEU MD1 1  17 LYS HA   2.616 .  3.471 3.165 2.857 3.501 0.030 2 0 "[    .   ]" 1 
        234 1  12 LEU MD1 1  17 LYS HG2  2.449 .  3.198 2.819 2.561 2.995     . 0 0 "[    .   ]" 1 
        235 1  12 LEU MD1 1  20 PHE QB   4.862 .  7.817 4.127 3.916 4.233     . 0 0 "[    .   ]" 1 
        236 1  12 LEU MD1 1  20 PHE QB   3.659 .  5.332 3.581 3.225 3.880     . 0 0 "[    .   ]" 1 
        237 1  12 LEU MD1 1  20 PHE QD   2.234 .  2.858 2.484 2.243 2.713     . 0 0 "[    .   ]" 1 
        238 1  12 LEU MD1 1  20 PHE QE   2.223 .  2.841 2.081 1.872 2.359     . 0 0 "[    .   ]" 1 
        239 1  12 LEU MD1 1  78 LEU QD   2.273 .  2.919 1.980 1.886 2.051     . 0 0 "[    .   ]" 1 
        240 1  12 LEU MD1 1  83 ARG H    3.830 .  5.664 4.928 4.607 5.049     . 0 0 "[    .   ]" 1 
        241 1  12 LEU MD2 1  12 LEU HG   1.899 .  2.350 2.109 2.099 2.116     . 0 0 "[    .   ]" 1 
        242 1  12 LEU MD2 1  13 THR H    4.243 .  6.494 3.251 3.202 3.308     . 0 0 "[    .   ]" 1 
        243 1  12 LEU MD2 1  16 GLN HA   4.838 .  7.763 4.141 3.992 4.264     . 0 0 "[    .   ]" 1 
        244 1  12 LEU MD2 1  16 GLN HB2  2.434 .  3.175 2.730 2.571 2.872     . 0 0 "[    .   ]" 1 
        245 1  12 LEU MD2 1  16 GLN HB2  2.201 .  2.806 2.242 2.187 2.283     . 0 0 "[    .   ]" 1 
        246 1  12 LEU MD2 1  16 GLN HB3  2.366 .  3.066 1.892 1.771 2.012     . 0 0 "[    .   ]" 1 
        247 1  12 LEU MD2 1  16 GLN HG2  2.829 .  3.829 3.865 3.735 4.070 0.241 5 0 "[    .   ]" 1 
        248 1  12 LEU MD2 1  16 GLN HG3  4.633 .  7.316 3.480 2.643 4.028     . 0 0 "[    .   ]" 1 
        249 1  12 LEU MD2 1  20 PHE QE   2.474 .  3.239 2.150 1.988 2.329     . 0 0 "[    .   ]" 1 
        250 1  12 LEU MD2 1  82 VAL HA   4.437 .  6.898 4.571 3.322 4.931     . 0 0 "[    .   ]" 1 
        251 1  12 LEU MD2 1  85 MET ME   1.984 .  2.476 1.869 1.699 2.101     . 0 0 "[    .   ]" 1 
        252 1  12 LEU HG  1  20 PHE QD   2.777 .  3.741 3.688 3.118 4.292 0.551 8 1 "[    .  +]" 1 
        253 1  12 LEU HG  1  78 LEU QD   4.070 .  6.141 3.988 3.825 4.079     . 0 0 "[    .   ]" 1 
        254 1  13 THR H   1  13 THR MG   2.175 .  2.766 2.186 1.984 2.484     . 0 0 "[    .   ]" 1 
        255 1  13 THR H   1  16 GLN HB3  2.398 .  3.117 3.202 3.141 3.317 0.200 1 0 "[    .   ]" 1 
        256 1  13 THR H   1  17 LYS HG2  4.246 .  6.500 5.388 5.154 5.630     . 0 0 "[    .   ]" 1 
        257 1  13 THR HA  1  13 THR HB   2.137 .  2.708 2.392 2.349 2.452     . 0 0 "[    .   ]" 1 
        258 1  13 THR HA  1  13 THR MG   2.106 .  2.660 2.477 2.418 2.538     . 0 0 "[    .   ]" 1 
        259 1  13 THR HA  1  14 GLU H    2.361 .  3.058 2.425 2.362 2.482     . 0 0 "[    .   ]" 1 
        260 1  13 THR HA  1  17 LYS QB   3.244 .  4.559 5.170 4.880 5.516 0.957 6 4 "[*   .+-*]" 1 
        261 1  13 THR HB  1  13 THR MG   2.252 .  2.886 2.139 2.128 2.146     . 0 0 "[    .   ]" 1 
        262 1  13 THR HB  1  13 THR MG   1.770 .  2.162 1.899 1.893 1.908     . 0 0 "[    .   ]" 1 
        263 1  13 THR MG  1  16 GLN HG2  3.005 .  4.134 3.480 3.345 3.628     . 0 0 "[    .   ]" 1 
        264 1  13 THR MG  1  16 GLN HG2  2.475 .  3.241 3.311 3.190 3.483 0.242 8 0 "[    .   ]" 1 
        265 1  13 THR MG  1  16 GLN HG3  2.482 .  3.252 2.585 2.135 3.264 0.012 4 0 "[    .   ]" 1 
        266 1  14 GLU H   1  14 GLU HA   2.961 .  4.057 2.784 2.761 2.812     . 0 0 "[    .   ]" 1 
        267 1  14 GLU H   1  14 GLU QB   2.310 .  2.977 2.313 2.151 2.515     . 0 0 "[    .   ]" 1 
        268 1  14 GLU H   1  15 GLU H    2.710 .  3.628 2.697 2.562 2.817     . 0 0 "[    .   ]" 1 
        269 1  14 GLU HA  1  14 GLU QB   2.101 .  2.653 2.427 2.351 2.482     . 0 0 "[    .   ]" 1 
        270 1  14 GLU HA  1  14 GLU HG2  2.621 .  3.480 2.969 2.383 3.645 0.165 5 0 "[    .   ]" 1 
        271 1  14 GLU HA  1  14 GLU QG   2.293 .  2.951 2.402 2.353 2.458     . 0 0 "[    .   ]" 1 
        272 1  14 GLU HA  1  14 GLU HG3  2.701 .  3.613 2.939 2.424 3.641 0.028 1 0 "[    .   ]" 1 
        273 1  14 GLU HA  1  17 LYS QB   1.800 .  2.205 2.295 2.120 2.522 0.317 1 0 "[    .   ]" 1 
        274 1  14 GLU HA  1  17 LYS QB   1.776 .  2.170 2.008 1.945 2.083     . 0 0 "[    .   ]" 1 
        275 1  14 GLU HA  1  17 LYS QD   2.130 .  2.697 2.487 2.060 2.830 0.133 4 0 "[    .   ]" 1 
        276 1  14 GLU HA  1  17 LYS HE2  2.622 .  3.482 3.237 2.331 3.820 0.338 6 0 "[    .   ]" 1 
        277 1  14 GLU QB  1  14 GLU HG2  1.735 .  2.111 2.092 2.025 2.148 0.037 2 0 "[    .   ]" 1 
        278 1  14 GLU HG3 1  18 ASN HB2  4.662 .  7.379 4.701 3.928 4.950     . 0 0 "[    .   ]" 1 
        279 1  15 GLU H   1  15 GLU HA   2.168 .  2.756 2.707 2.666 2.744     . 0 0 "[    .   ]" 1 
        280 1  15 GLU H   1  16 GLN H    2.539 .  3.345 2.832 2.668 3.051     . 0 0 "[    .   ]" 1 
        281 1  15 GLU H   1  16 GLN H    2.174 .  2.765 2.546 2.435 2.661     . 0 0 "[    .   ]" 1 
        282 1  15 GLU HA  1  15 GLU QB   1.947 .  2.421 2.373 2.341 2.423 0.002 2 0 "[    .   ]" 1 
        283 1  15 GLU HA  1  15 GLU QG   1.949 .  2.424 2.468 2.406 2.604 0.180 2 0 "[    .   ]" 1 
        284 1  15 GLU HA  1  16 GLN H    3.030 .  4.178 3.591 3.578 3.607     . 0 0 "[    .   ]" 1 
        285 1  15 GLU HA  1  18 ASN HB2  2.438 .  3.181 3.307 3.047 3.402 0.221 4 0 "[    .   ]" 1 
        286 1  15 GLU HA  1  18 ASN HB3  2.507 .  3.292 2.461 2.181 2.940     . 0 0 "[    .   ]" 1 
        287 1  15 GLU HA  1  18 ASN HB3  2.130 .  2.697 2.199 2.045 2.390     . 0 0 "[    .   ]" 1 
        288 1  15 GLU QB  1  15 GLU QG   1.950 .  2.425 2.046 2.005 2.085     . 0 0 "[    .   ]" 1 
        289 1  15 GLU QB  1  16 GLN H    2.967 .  4.068 2.296 2.160 2.380     . 0 0 "[    .   ]" 1 
        290 1  15 GLU QB  1  16 GLN HA   2.369 .  3.071 3.109 2.958 3.287 0.216 1 0 "[    .   ]" 1 
        291 1  16 GLN H   1  16 GLN HA   2.656 .  3.538 2.739 2.719 2.754     . 0 0 "[    .   ]" 1 
        292 1  16 GLN H   1  16 GLN HB2  2.898 .  3.947 2.425 2.215 2.552     . 0 0 "[    .   ]" 1 
        293 1  16 GLN H   1  16 GLN HB3  2.058 .  2.588 2.460 2.054 3.129 0.541 4 1 "[   +.   ]" 1 
        294 1  16 GLN H   1  17 LYS H    2.554 .  3.369 2.896 2.811 2.938     . 0 0 "[    .   ]" 1 
        295 1  16 GLN HA  1  16 GLN HB2  2.241 .  2.869 2.977 2.953 2.990 0.121 8 0 "[    .   ]" 1 
        296 1  16 GLN HA  1  16 GLN HB3  2.455 .  3.209 2.476 2.426 2.538     . 0 0 "[    .   ]" 1 
        297 1  16 GLN HA  1  16 GLN HB3  2.100 .  2.651 2.404 2.355 2.486     . 0 0 "[    .   ]" 1 
        298 1  16 GLN HA  1  16 GLN HG2  2.142 .  2.715 2.494 2.277 2.811 0.096 2 0 "[    .   ]" 1 
        299 1  16 GLN HA  1  16 GLN HG3  2.407 .  3.131 3.305 3.008 3.626 0.495 2 0 "[    .   ]" 1 
        300 1  16 GLN HA  1  19 GLU HB3  2.342 .  3.028 2.866 2.434 3.118 0.090 5 0 "[    .   ]" 1 
        301 1  16 GLN HB2 1  16 GLN HG2  2.240 .  2.867 2.779 2.430 2.982 0.115 8 0 "[    .   ]" 1 
        302 1  16 GLN HB2 1  16 GLN HG3  2.313 .  2.982 2.315 2.282 2.364     . 0 0 "[    .   ]" 1 
        303 1  16 GLN HB2 1  20 PHE QE   3.159 .  4.406 4.338 4.099 4.440 0.034 4 0 "[    .   ]" 1 
        304 1  16 GLN HB3 1  17 LYS H    2.716 .  3.638 3.176 2.927 3.348     . 0 0 "[    .   ]" 1 
        305 1  16 GLN HB3 1  20 PHE QD   5.790 .  9.981 4.023 3.625 4.506     . 0 0 "[    .   ]" 1 
        306 1  17 LYS H   1  17 LYS HA   2.365 .  3.064 2.739 2.719 2.758     . 0 0 "[    .   ]" 1 
        307 1  17 LYS H   1  17 LYS QB   2.218 .  2.833 2.347 2.269 2.415     . 0 0 "[    .   ]" 1 
        308 1  17 LYS H   1  17 LYS HG2  2.412 .  3.139 3.335 3.285 3.389 0.250 7 0 "[    .   ]" 1 
        309 1  17 LYS H   1  17 LYS HG3  3.040 .  4.195 2.001 1.876 2.089 0.009 8 0 "[    .   ]" 1 
        310 1  17 LYS HA  1  17 LYS QB   2.126 .  2.691 2.385 2.358 2.406     . 0 0 "[    .   ]" 1 
        311 1  17 LYS HA  1  17 LYS HG2  2.420 .  3.152 2.553 2.414 2.734     . 0 0 "[    .   ]" 1 
        312 1  17 LYS HA  1  17 LYS HG3  2.199 .  2.804 2.865 2.747 2.947 0.143 4 0 "[    .   ]" 1 
        313 1  17 LYS HA  1  20 PHE H    3.439 .  4.917 3.434 3.312 3.507     . 0 0 "[    .   ]" 1 
        314 1  17 LYS HA  1  20 PHE QB   2.450 .  3.200 2.806 2.501 3.205 0.005 1 0 "[    .   ]" 1 
        315 1  17 LYS HA  1  20 PHE QD   2.449 .  3.199 2.190 1.977 2.556     . 0 0 "[    .   ]" 1 
        316 1  17 LYS HA  1  78 LEU QD   2.443 .  3.189 2.246 1.758 2.396 0.029 1 0 "[    .   ]" 1 
        317 1  17 LYS QB  1  17 LYS QD   1.772 .  2.165 1.861 1.829 1.957     . 0 0 "[    .   ]" 1 
        318 1  17 LYS QB  1  17 LYS QD   1.821 .  2.235 1.971 1.922 2.118     . 0 0 "[    .   ]" 1 
        319 1  17 LYS QB  1  17 LYS HE2  1.992 .  2.488 1.997 1.907 2.081     . 0 0 "[    .   ]" 1 
        320 1  17 LYS QB  1  17 LYS HE3  2.526 .  3.323 2.581 2.397 2.684     . 0 0 "[    .   ]" 1 
        321 1  17 LYS QB  1  17 LYS HG2  2.110 .  2.667 2.294 2.241 2.343     . 0 0 "[    .   ]" 1 
        322 1  17 LYS QB  1  17 LYS HG3  2.021 .  2.531 2.382 2.324 2.445     . 0 0 "[    .   ]" 1 
        323 1  17 LYS QB  1  18 ASN HB2  2.996 .  4.118 3.973 3.696 4.225 0.107 2 0 "[    .   ]" 1 
        324 1  17 LYS QB  1  18 ASN HB3  3.497 .  5.025 4.035 3.943 4.114     . 0 0 "[    .   ]" 1 
        325 1  17 LYS QB  1  78 LEU QD   3.366 .  3.564 2.323 2.057 2.555     . 0 0 "[    .   ]" 1 
        326 1  17 LYS QD  1  17 LYS HE2  1.930 .  2.396 1.910 1.887 1.945     . 0 0 "[    .   ]" 1 
        327 1  17 LYS QD  1  17 LYS HE3  2.307 .  2.972 2.365 2.323 2.384     . 0 0 "[    .   ]" 1 
        328 1  17 LYS HE2 1  17 LYS HG2  4.916 .  7.937 3.182 3.075 3.382     . 0 0 "[    .   ]" 1 
        329 1  17 LYS HE3 1  17 LYS HG3  2.730 .  3.661 3.654 3.597 3.727 0.066 5 0 "[    .   ]" 1 
        330 1  17 LYS HE3 1  78 LEU QD   2.972 .  4.076 2.315 1.828 3.060 0.125 1 0 "[    .   ]" 1 
        331 1  17 LYS HG2 1  78 LEU QD   2.996 .  4.118 1.992 1.864 2.219 0.010 2 0 "[    .   ]" 1 
        332 1  17 LYS HG3 1  74 PHE QE   3.393 .  4.832 4.388 3.742 4.750     . 0 0 "[    .   ]" 1 
        333 1  17 LYS HG3 1  78 LEU QD   2.611 .  3.463 3.263 3.166 3.428     . 0 0 "[    .   ]" 1 
        334 1  17 LYS HG3 1  78 LEU QD   2.856 .  3.875 2.437 2.250 2.912     . 0 0 "[    .   ]" 1 
        335 1  18 ASN H   1  18 ASN HA   2.538 .  3.343 2.801 2.786 2.840     . 0 0 "[    .   ]" 1 
        336 1  18 ASN H   1  18 ASN HB2  2.179 .  2.772 2.570 2.275 2.820 0.048 2 0 "[    .   ]" 1 
        337 1  18 ASN H   1  18 ASN HB3  2.385 .  3.096 2.448 2.218 2.782     . 0 0 "[    .   ]" 1 
        338 1  18 ASN H   1  19 GLU H    2.338 .  3.021 2.650 2.496 2.713     . 0 0 "[    .   ]" 1 
        339 1  18 ASN HA  1  18 ASN HB2  2.258 .  2.895 2.415 2.301 2.608     . 0 0 "[    .   ]" 1 
        340 1  18 ASN HA  1  18 ASN HB3  2.235 .  2.860 2.988 2.965 2.997 0.137 6 0 "[    .   ]" 1 
        341 1  18 ASN HA  1  21 LYS H    3.215 .  4.507 3.090 2.781 3.197     . 0 0 "[    .   ]" 1 
        342 1  18 ASN HA  1  21 LYS HB2  2.399 .  3.119 2.470 2.036 2.811     . 0 0 "[    .   ]" 1 
        343 1  18 ASN HA  1  21 LYS HB3  2.270 .  2.914 2.697 2.314 3.087 0.173 2 0 "[    .   ]" 1 
        344 1  18 ASN HA  1  21 LYS QG   3.164 .  4.415 3.720 3.394 4.137     . 0 0 "[    .   ]" 1 
        345 1  18 ASN HB2 1  19 GLU H    2.713 .  3.633 3.245 2.660 3.713 0.080 1 0 "[    .   ]" 1 
        346 1  18 ASN HB2 1 109 MET ME   4.871 .  7.837 7.385 7.105 7.713     . 0 0 "[    .   ]" 1 
        347 1  18 ASN HB3 1  19 GLU H    2.919 .  3.984 2.552 2.407 2.732     . 0 0 "[    .   ]" 1 
        348 1  18 ASN HB3 1  19 GLU HA   3.533 .  5.093 4.156 3.907 4.457     . 0 0 "[    .   ]" 1 
        349 1  19 GLU H   1  19 GLU HA   2.220 .  2.836 2.763 2.744 2.798     . 0 0 "[    .   ]" 1 
        350 1  19 GLU H   1  20 PHE H    2.361 .  3.058 2.633 2.537 2.699     . 0 0 "[    .   ]" 1 
        351 1  19 GLU HA  1  19 GLU HB2  2.115 .  2.674 2.459 2.356 2.553     . 0 0 "[    .   ]" 1 
        352 1  19 GLU HA  1  19 GLU HB3  2.255 .  2.891 2.991 2.972 3.015 0.124 4 0 "[    .   ]" 1 
        353 1  19 GLU HA  1  19 GLU HG2  2.470 .  3.232 3.259 3.036 3.604 0.372 6 0 "[    .   ]" 1 
        354 1  19 GLU HA  1  19 GLU HG3  2.697 .  3.606 2.540 2.364 2.710     . 0 0 "[    .   ]" 1 
        355 1  19 GLU HA  1  20 PHE H    4.196 .  6.396 3.498 3.483 3.512     . 0 0 "[    .   ]" 1 
        356 1  19 GLU HA  1  22 ALA MB   2.348 .  3.037 2.684 2.490 2.851     . 0 0 "[    .   ]" 1 
        357 1  19 GLU HA  1 109 MET ME   4.127 .  6.256 5.336 5.167 5.504     . 0 0 "[    .   ]" 1 
        358 1  19 GLU HA  1 113 LEU QD   3.326 .  4.146 3.468 3.174 3.657     . 0 0 "[    .   ]" 1 
        359 1  19 GLU QG  1 113 LEU QD   0.000 .  5.000 2.176 1.861 2.519     . 0 0 "[    .   ]" 1 
        360 1  19 GLU HG2 1 113 LEU QD   2.650 .  3.528 2.502 1.942 2.987     . 0 0 "[    .   ]" 1 
        361 1  19 GLU HG3 1  22 ALA MB   3.255 .  4.579 3.914 3.416 4.282     . 0 0 "[    .   ]" 1 
        362 1  19 GLU HG3 1 113 LEU QD   2.641 .  3.513 2.504 2.048 2.903     . 0 0 "[    .   ]" 1 
        363 1  20 PHE H   1  20 PHE HA   2.893 .  3.939 2.848 2.827 2.873     . 0 0 "[    .   ]" 1 
        364 1  20 PHE H   1  20 PHE QB   2.235 .  2.860 2.385 2.301 2.541     . 0 0 "[    .   ]" 1 
        365 1  20 PHE H   1  20 PHE QD   4.717 .  7.498 3.172 3.081 3.289     . 0 0 "[    .   ]" 1 
        366 1  20 PHE H   1  21 LYS H    2.562 .  3.383 2.512 2.423 2.611     . 0 0 "[    .   ]" 1 
        367 1  20 PHE HA  1  20 PHE QB   2.280 .  2.930 2.392 2.325 2.431     . 0 0 "[    .   ]" 1 
        368 1  20 PHE HA  1  20 PHE QD   2.190 .  2.790 2.147 2.033 2.313     . 0 0 "[    .   ]" 1 
        369 1  20 PHE HA  1  23 ALA MB   2.363 .  3.061 2.444 2.099 2.760     . 0 0 "[    .   ]" 1 
        370 1  20 PHE HA  1 109 MET ME   2.826 .  3.825 2.634 2.355 2.912     . 0 0 "[    .   ]" 1 
        371 1  20 PHE QB  1  20 PHE QD   2.071 .  2.607 2.163 2.148 2.195     . 0 0 "[    .   ]" 1 
        372 1  20 PHE QB  1  21 LYS H    2.818 .  3.811 2.782 2.656 2.916     . 0 0 "[    .   ]" 1 
        373 1  20 PHE QB  1  21 LYS HA   3.715 .  5.440 3.836 3.752 3.918     . 0 0 "[    .   ]" 1 
        374 1  20 PHE QB  1  23 ALA MB   2.978 .  4.087 3.434 3.118 3.701     . 0 0 "[    .   ]" 1 
        375 1  20 PHE QB  1  81 MET ME   3.895 .  5.792 4.636 4.445 4.908     . 0 0 "[    .   ]" 1 
        376 1  20 PHE QB  1  77 PHE QD   3.335 .  4.725 2.809 2.389 3.165     . 0 0 "[    .   ]" 1 
        377 1  20 PHE QB  1  77 PHE HE1  3.372 .  4.793 2.067 1.856 2.605 0.095 4 0 "[    .   ]" 1 
        378 1  20 PHE QB  1  78 LEU QD   2.291 .  2.947 2.089 1.879 2.329     . 0 0 "[    .   ]" 1 
        379 1  20 PHE QB  1 109 MET ME   4.438 .  5.000 3.956 3.815 4.053     . 0 0 "[    .   ]" 1 
        380 1  20 PHE QD  1  23 ALA MB   2.330 .  3.009 2.812 2.416 3.191 0.182 1 0 "[    .   ]" 1 
        381 1  20 PHE QD  1  81 MET HB2  5.833 . 10.087 2.913 2.448 3.826     . 0 0 "[    .   ]" 1 
        382 1  20 PHE QD  1  81 MET HG3  3.500 .  5.031 2.489 2.322 2.839     . 0 0 "[    .   ]" 1 
        383 1  20 PHE QD  1  78 LEU HA   3.333 .  4.722 4.082 3.236 4.304     . 0 0 "[    .   ]" 1 
        384 1  20 PHE QD  1  81 MET ME   2.982 .  4.093 4.179 4.031 4.424 0.331 6 0 "[    .   ]" 1 
        385 1  20 PHE QD  1  81 MET HG2  3.177 .  4.438 4.054 3.908 4.406     . 0 0 "[    .   ]" 1 
        386 1  20 PHE QD  1 109 MET ME   2.403 .  3.125 2.156 1.985 2.404     . 0 0 "[    .   ]" 1 
        387 1  20 PHE QE  1  23 ALA MB   5.793 .  9.988 4.970 4.762 5.243     . 0 0 "[    .   ]" 1 
        388 1  20 PHE QE  1  78 LEU QD   2.713 .  3.633 2.299 2.191 2.387     . 0 0 "[    .   ]" 1 
        389 1  20 PHE QE  1  78 LEU HG   4.044 .  6.088 4.495 2.918 4.766     . 0 0 "[    .   ]" 1 
        390 1  20 PHE QE  1  78 LEU QD   2.355 .  3.048 3.177 3.138 3.216 0.168 1 0 "[    .   ]" 1 
        391 1  20 PHE QE  1  81 MET HG2  5.641 .  9.618 5.027 4.609 5.544     . 0 0 "[    .   ]" 1 
        392 1  20 PHE QE  1  82 VAL QG   3.647 .  5.310 4.220 3.587 4.719     . 0 0 "[    .   ]" 1 
        393 1  20 PHE QE  1  85 MET ME   4.150 .  6.303 2.818 2.366 4.326     . 0 0 "[    .   ]" 1 
        394 1  20 PHE QE  1 105 ALA MB   2.767 .  3.724 3.199 2.805 3.729 0.005 6 0 "[    .   ]" 1 
        395 1  20 PHE QE  1 109 MET ME   3.195 .  4.471 2.899 2.455 3.786     . 0 0 "[    .   ]" 1 
        396 1  20 PHE QE  1 109 MET HG3  5.805 . 10.017 3.568 3.423 3.998     . 0 0 "[    .   ]" 1 
        397 1  21 LYS H   1  21 LYS HA   2.677 .  3.573 2.833 2.802 2.857     . 0 0 "[    .   ]" 1 
        398 1  21 LYS H   1  21 LYS HB2  2.428 .  3.165 2.290 2.191 2.517     . 0 0 "[    .   ]" 1 
        399 1  21 LYS H   1  21 LYS HB3  2.341 .  3.026 2.760 2.553 2.867     . 0 0 "[    .   ]" 1 
        400 1  21 LYS H   1  22 ALA H    2.404 .  3.127 2.592 2.470 2.660     . 0 0 "[    .   ]" 1 
        401 1  21 LYS HA  1  21 LYS HB2  2.213 .  2.825 2.598 2.451 2.670     . 0 0 "[    .   ]" 1 
        402 1  21 LYS HA  1  21 LYS HD2  2.226 .  2.845 2.398 2.138 2.870 0.025 6 0 "[    .   ]" 1 
        403 1  21 LYS HA  1  21 LYS HD3  2.668 .  3.558 2.403 2.128 2.813     . 0 0 "[    .   ]" 1 
        404 1  21 LYS HA  1  21 LYS HE2  3.711 .  5.432 3.792 3.678 3.948     . 0 0 "[    .   ]" 1 
        405 1  21 LYS HA  1  21 LYS HE3  4.883 .  7.863 4.176 3.935 4.382     . 0 0 "[    .   ]" 1 
        406 1  21 LYS HA  1  21 LYS QG   2.583 .  3.417 2.835 2.683 2.948     . 0 0 "[    .   ]" 1 
        407 1  21 LYS HA  1  22 ALA H    2.437 .  3.180 3.127 3.091 3.159     . 0 0 "[    .   ]" 1 
        408 1  21 LYS HA  1  24 PHE HB2  2.455 .  3.208 2.662 2.572 2.783     . 0 0 "[    .   ]" 1 
        409 1  21 LYS HA  1  24 PHE HB3  2.629 .  3.493 2.481 2.352 2.638     . 0 0 "[    .   ]" 1 
        410 1  21 LYS HA  1  24 PHE QD   2.295 .  2.953 2.871 2.784 2.962 0.009 6 0 "[    .   ]" 1 
        411 1  21 LYS HA  1  74 PHE QD   2.614 .  3.468 2.618 2.374 2.866     . 0 0 "[    .   ]" 1 
        412 1  21 LYS HA  1  74 PHE QE   2.406 .  3.130 2.733 2.513 2.962     . 0 0 "[    .   ]" 1 
        413 1  21 LYS HA  1  74 PHE HZ   4.976 .  8.071 4.349 4.183 4.503     . 0 0 "[    .   ]" 1 
        414 1  21 LYS HB2 1  21 LYS HD3  3.750 .  5.508 3.207 2.467 3.747     . 0 0 "[    .   ]" 1 
        415 1  21 LYS HB2 1  21 LYS QG   2.265 .  2.906 2.228 2.149 2.348     . 0 0 "[    .   ]" 1 
        416 1  21 LYS HB2 1  74 PHE QE   3.124 .  4.344 2.851 2.675 3.030     . 0 0 "[    .   ]" 1 
        417 1  21 LYS HB2 1  74 PHE HZ   3.219 .  4.514 2.847 2.734 2.899     . 0 0 "[    .   ]" 1 
        418 1  21 LYS HB3 1  21 LYS HD3  2.953 .  4.043 3.692 3.577 3.780     . 0 0 "[    .   ]" 1 
        419 1  21 LYS HB3 1  21 LYS QG   2.257 .  2.894 2.174 2.143 2.228     . 0 0 "[    .   ]" 1 
        420 1  21 LYS HB3 1  22 ALA H    2.222 .  2.839 2.123 1.954 2.496     . 0 0 "[    .   ]" 1 
        421 1  21 LYS HB3 1  74 PHE QE   4.226 .  6.459 4.177 3.975 4.333     . 0 0 "[    .   ]" 1 
        422 1  21 LYS HD2 1  21 LYS HE2  2.455 .  3.208 2.563 2.371 3.019     . 0 0 "[    .   ]" 1 
        423 1  21 LYS HD2 1  21 LYS HE3  2.584 .  3.419 2.600 2.415 3.015     . 0 0 "[    .   ]" 1 
        424 1  21 LYS HD2 1  21 LYS QG   2.222 .  2.839 2.386 2.226 2.481     . 0 0 "[    .   ]" 1 
        425 1  21 LYS HD2 1  24 PHE HA   3.640 .  5.296 5.504 5.213 5.955 0.659 6 1 "[    .+  ]" 1 
        426 1  21 LYS HD2 1  24 PHE HB2  3.105 .  4.310 3.738 3.209 4.399 0.089 6 0 "[    .   ]" 1 
        427 1  21 LYS HD2 1  24 PHE QD   3.200 .  4.480 2.539 1.948 3.135     . 0 0 "[    .   ]" 1 
        428 1  21 LYS HD3 1  21 LYS HE2  2.462 .  3.220 2.740 2.419 3.018     . 0 0 "[    .   ]" 1 
        429 1  21 LYS HD3 1  21 LYS HE3  2.463 .  3.222 2.562 2.378 3.021     . 0 0 "[    .   ]" 1 
        430 1  21 LYS HD3 1  21 LYS QG   2.446 .  3.194 2.298 2.209 2.464     . 0 0 "[    .   ]" 1 
        431 1  21 LYS HD3 1  24 PHE QD   3.444 .  4.927 2.931 2.283 3.980     . 0 0 "[    .   ]" 1 
        432 1  21 LYS HD3 1  24 PHE QD   5.690 .  9.736 2.396 2.122 3.074     . 0 0 "[    .   ]" 1 
        433 1  21 LYS HD3 1  74 PHE QD   4.482 .  6.993 2.958 2.773 3.182     . 0 0 "[    .   ]" 1 
        434 1  21 LYS HE2 1  21 LYS QG   2.673 .  3.566 2.607 2.252 3.299     . 0 0 "[    .   ]" 1 
        435 1  21 LYS HE3 1  21 LYS QG   2.488 .  3.262 2.849 2.314 3.300 0.038 4 0 "[    .   ]" 1 
        436 1  21 LYS HE3 1  74 PHE QD   5.131 .  8.422 4.521 3.618 5.032     . 0 0 "[    .   ]" 1 
        437 1  21 LYS QG  1  22 ALA H    3.753 .  5.513 3.803 3.393 4.110     . 0 0 "[    .   ]" 1 
        438 1  21 LYS QG  1  24 PHE HB2  3.271 .  4.608 4.791 4.694 4.907 0.299 5 0 "[    .   ]" 1 
        439 1  21 LYS QG  1  74 PHE QE   3.297 .  4.656 3.400 2.837 4.155     . 0 0 "[    .   ]" 1 
        440 1  22 ALA H   1  22 ALA HA   2.279 .  2.928 2.764 2.748 2.805     . 0 0 "[    .   ]" 1 
        441 1  22 ALA H   1  22 ALA MB   2.083 .  2.626 2.242 2.224 2.258     . 0 0 "[    .   ]" 1 
        442 1  22 ALA H   1  23 ALA H    2.516 .  3.307 2.866 2.692 2.954     . 0 0 "[    .   ]" 1 
        443 1  22 ALA HA  1  22 ALA MB   1.942 .  2.414 2.124 2.116 2.136     . 0 0 "[    .   ]" 1 
        444 1  22 ALA HA  1  25 ASP HB2  2.168 .  2.755 2.388 2.298 2.469     . 0 0 "[    .   ]" 1 
        445 1  22 ALA HA  1  25 ASP HB3  2.331 .  3.010 2.700 2.609 2.799     . 0 0 "[    .   ]" 1 
        446 1  22 ALA HA  1  25 ASP HB3  2.622 .  3.482 3.116 2.875 3.406     . 0 0 "[    .   ]" 1 
        447 1  22 ALA HA  1  26 ILE MD   2.892 .  3.937 3.371 3.188 3.535     . 0 0 "[    .   ]" 1 
        448 1  22 ALA HA  1  26 ILE MD   2.908 .  3.965 3.770 3.508 4.035 0.070 2 0 "[    .   ]" 1 
        449 1  22 ALA MB  1  23 ALA H    2.843 .  3.853 2.478 2.371 2.616     . 0 0 "[    .   ]" 1 
        450 1  22 ALA MB  1  25 ASP HB2  3.148 .  4.387 4.446 4.183 4.667 0.280 3 0 "[    .   ]" 1 
        451 1  22 ALA MB  1  25 ASP HB3  3.392 .  4.830 4.188 4.022 4.401     . 0 0 "[    .   ]" 1 
        452 1  22 ALA MB  1  26 ILE MD   2.331 .  3.010 2.219 1.926 2.562     . 0 0 "[    .   ]" 1 
        453 1  23 ALA H   1  23 ALA HA   2.935 .  4.012 2.845 2.815 2.858     . 0 0 "[    .   ]" 1 
        454 1  23 ALA H   1  23 ALA MB   2.427 .  3.163 2.247 2.219 2.272     . 0 0 "[    .   ]" 1 
        455 1  23 ALA H   1  24 PHE H    3.046 .  4.206 2.590 2.532 2.711     . 0 0 "[    .   ]" 1 
        456 1  23 ALA HA  1  23 ALA MB   1.982 .  2.473 2.128 2.123 2.136     . 0 0 "[    .   ]" 1 
        457 1  23 ALA HA  1  26 ILE HB   2.544 .  3.353 3.022 2.605 3.227     . 0 0 "[    .   ]" 1 
        458 1  23 ALA HA  1  26 ILE MD   2.224 .  2.842 2.350 1.825 2.889 0.047 7 0 "[    .   ]" 1 
        459 1  23 ALA HA  1  26 ILE QG   2.512 .  3.301 2.716 2.019 3.453 0.152 8 0 "[    .   ]" 1 
        460 1  23 ALA HA  1 113 LEU QD   2.434 .  3.174 2.425 2.183 2.789     . 0 0 "[    .   ]" 1 
        461 1  23 ALA MB  1  24 PHE H    3.436 .  4.912 2.570 2.351 2.813     . 0 0 "[    .   ]" 1 
        462 1  23 ALA MB  1  24 PHE HA   3.212 .  4.501 3.965 3.853 4.057     . 0 0 "[    .   ]" 1 
        463 1  23 ALA MB  1  24 PHE HB2  4.269 .  6.547 4.427 4.104 4.705     . 0 0 "[    .   ]" 1 
        464 1  23 ALA MB  1  24 PHE HB2  3.397 .  4.839 4.321 4.076 4.524     . 0 0 "[    .   ]" 1 
        465 1  23 ALA MB  1  77 PHE QD   3.525 .  5.079 2.195 1.951 2.474 0.020 2 0 "[    .   ]" 1 
        466 1  23 ALA MB  1  77 PHE HZ   2.256 .  2.892 2.398 2.002 2.732     . 0 0 "[    .   ]" 1 
        467 1  23 ALA MB  1 108 MET ME   2.556 .  3.373 2.637 1.854 3.999 0.626 8 1 "[    .  +]" 1 
        468 1  23 ALA MB  1 112 LEU MD2  3.900 .  5.801 3.780 3.448 4.176     . 0 0 "[    .   ]" 1 
        469 1  23 ALA MB  1 113 LEU QD   2.039 .  2.559 1.762 1.615 1.907     . 0 0 "[    .   ]" 1 
        470 1  23 ALA MB  1 113 LEU QD   2.131 .  2.698 1.916 1.675 2.275     . 0 0 "[    .   ]" 1 
        471 1  23 ALA MB  1 113 LEU QD   1.737 .  2.114 1.817 1.568 2.073     . 0 0 "[    .   ]" 1 
        472 1  24 PHE H   1  24 PHE HB2  3.204 .  4.488 2.524 2.365 2.628     . 0 0 "[    .   ]" 1 
        473 1  24 PHE H   1  24 PHE HB3  2.893 .  3.939 2.590 2.501 2.709     . 0 0 "[    .   ]" 1 
        474 1  24 PHE H   1  25 ASP H    2.838 .  3.845 2.796 2.752 2.849     . 0 0 "[    .   ]" 1 
        475 1  24 PHE HA  1  24 PHE HB3  2.380 .  3.088 3.024 3.017 3.030     . 0 0 "[    .   ]" 1 
        476 1  24 PHE HA  1  24 PHE QD   2.419 .  3.151 2.404 2.177 2.711     . 0 0 "[    .   ]" 1 
        477 1  24 PHE HA  1  26 ILE MD   3.355 .  4.762 4.632 4.489 4.732     . 0 0 "[    .   ]" 1 
        478 1  24 PHE HA  1  27 PHE QB   2.713 .  3.125 2.592 2.319 2.899     . 0 0 "[    .   ]" 1 
        479 1  24 PHE HA  1  28 VAL MG1  3.579 .  5.180 3.861 3.703 4.049     . 0 0 "[    .   ]" 1 
        480 1  24 PHE HA  1  28 VAL MG2  4.594 .  7.232 4.092 3.906 4.264     . 0 0 "[    .   ]" 1 
        481 1  24 PHE HA  1  36 ILE MD   3.059 .  4.229 3.142 2.782 3.400     . 0 0 "[    .   ]" 1 
        482 1  24 PHE HA  1  74 PHE QD   3.469 .  4.973 5.034 4.943 5.105 0.132 3 0 "[    .   ]" 1 
        483 1  24 PHE HB2 1  25 ASP H    2.575 .  3.404 3.567 3.498 3.618 0.214 2 0 "[    .   ]" 1 
        484 1  24 PHE HB2 1  74 PHE QD   2.869 .  3.898 2.669 2.555 2.736     . 0 0 "[    .   ]" 1 
        485 1  24 PHE HB3 1  25 ASP H    3.872 .  5.747 2.161 2.129 2.212     . 0 0 "[    .   ]" 1 
        486 1  24 PHE HB3 1  74 PHE QD   2.691 .  3.596 3.622 3.498 3.735 0.139 1 0 "[    .   ]" 1 
        487 1  24 PHE HB3 1  74 PHE QE   3.863 .  5.728 4.859 4.733 5.007     . 0 0 "[    .   ]" 1 
        488 1  24 PHE HB3 1  77 PHE QD   5.052 .  8.242 4.827 4.488 5.179     . 0 0 "[    .   ]" 1 
        489 1  24 PHE QD  1  28 VAL MG1  2.762 .  3.715 2.985 2.843 3.235     . 0 0 "[    .   ]" 1 
        490 1  24 PHE QD  1  28 VAL MG2  3.368 .  4.786 2.557 2.327 3.022     . 0 0 "[    .   ]" 1 
        491 1  24 PHE QD  1  36 ILE MD   2.468 .  3.229 2.252 2.068 2.538     . 0 0 "[    .   ]" 1 
        492 1  24 PHE QD  1  36 ILE HA   4.316 .  6.644 5.500 5.318 5.679     . 0 0 "[    .   ]" 1 
        493 1  24 PHE QD  1  28 VAL MG2  2.799 .  3.779 3.650 3.536 3.738     . 0 0 "[    .   ]" 1 
        494 1  24 PHE QD  1  35 SER HA   3.154 .  4.397 4.545 4.464 4.627 0.230 3 0 "[    .   ]" 1 
        495 1  24 PHE QD  1  72 VAL QG   3.172 .  4.430 3.568 3.346 3.856     . 0 0 "[    .   ]" 1 
        496 1  24 PHE QD  1  73 ASP HA   2.896 .  3.944 4.030 3.947 4.098 0.154 4 0 "[    .   ]" 1 
        497 1  24 PHE QD  1  74 PHE HA   2.892 .  3.937 3.289 3.086 3.472     . 0 0 "[    .   ]" 1 
        498 1  24 PHE QD  1  77 PHE QD   2.848 .  3.862 3.090 2.482 3.392     . 0 0 "[    .   ]" 1 
        499 1  24 PHE QE  1  28 VAL MG1  4.820 .  7.724 2.435 2.304 2.636     . 0 0 "[    .   ]" 1 
        500 1  24 PHE QE  1  28 VAL MG1  3.365 .  4.780 2.901 2.683 3.153     . 0 0 "[    .   ]" 1 
        501 1  24 PHE QE  1  35 SER HA   2.592 .  3.432 2.516 2.336 2.660     . 0 0 "[    .   ]" 1 
        502 1  24 PHE QE  1  35 SER HB2  3.732 .  5.473 4.004 3.793 4.138     . 0 0 "[    .   ]" 1 
        503 1  24 PHE QE  1  73 ASP HA   2.639 .  3.510 2.057 1.992 2.140     . 0 0 "[    .   ]" 1 
        504 1  24 PHE QE  1  73 ASP HB2  4.808 .  7.698 4.084 3.802 4.294     . 0 0 "[    .   ]" 1 
        505 1  24 PHE QE  1  73 ASP HB3  4.238 .  6.483 4.642 4.437 4.800     . 0 0 "[    .   ]" 1 
        506 1  25 ASP H   1  25 ASP HA   2.428 .  3.165 2.739 2.729 2.752     . 0 0 "[    .   ]" 1 
        507 1  25 ASP H   1  25 ASP HB2  2.261 .  2.900 2.253 2.192 2.334     . 0 0 "[    .   ]" 1 
        508 1  25 ASP H   1  25 ASP HB3  2.678 .  3.575 2.770 2.676 2.885     . 0 0 "[    .   ]" 1 
        509 1  25 ASP H   1  26 ILE H    2.574 .  3.402 2.888 2.775 2.967     . 0 0 "[    .   ]" 1 
        510 1  25 ASP HA  1  25 ASP HB2  2.275 .  2.922 2.567 2.517 2.614     . 0 0 "[    .   ]" 1 
        511 1  25 ASP HA  1  25 ASP HB3  2.197 .  2.800 2.978 2.966 2.993 0.193 1 0 "[    .   ]" 1 
        512 1  25 ASP HA  1  28 VAL MG1  4.069 .  6.139 4.288 4.060 4.625     . 0 0 "[    .   ]" 1 
        513 1  25 ASP HA  1  28 VAL MG2  2.022 .  2.533 2.355 2.138 2.684 0.151 1 0 "[    .   ]" 1 
        514 1  25 ASP HB2 1  26 ILE H    2.773 .  3.734 3.616 3.411 3.760 0.026 3 0 "[    .   ]" 1 
        515 1  25 ASP HB2 1  26 ILE MD   4.780 .  7.636 5.368 5.165 5.646     . 0 0 "[    .   ]" 1 
        516 1  25 ASP HB3 1  28 VAL MG2  3.118 .  4.333 4.566 4.359 4.873 0.540 1 1 "[+   .   ]" 1 
        517 1  26 ILE H   1  26 ILE HA   2.516 .  3.307 2.865 2.840 2.892     . 0 0 "[    .   ]" 1 
        518 1  26 ILE H   1  26 ILE HB   2.219 .  2.834 2.711 2.585 2.855 0.021 2 0 "[    .   ]" 1 
        519 1  26 ILE H   1  26 ILE MD   2.488 .  3.262 3.077 3.030 3.126     . 0 0 "[    .   ]" 1 
        520 1  26 ILE H   1  26 ILE QG   2.376 .  3.082 1.787 1.710 1.897 0.116 2 0 "[    .   ]" 1 
        521 1  26 ILE H   1  27 PHE H    2.383 .  3.093 2.417 2.328 2.519     . 0 0 "[    .   ]" 1 
        522 1  26 ILE H   1  27 PHE QB   2.958 .  4.052 3.422 3.367 3.478     . 0 0 "[    .   ]" 1 
        523 1  26 ILE H   1 112 LEU MD1  2.647 .  3.523 3.156 2.515 3.676 0.153 2 0 "[    .   ]" 1 
        524 1  26 ILE HA  1  26 ILE HB   2.553 .  3.368 2.998 2.974 3.017     . 0 0 "[    .   ]" 1 
        525 1  26 ILE HA  1  26 ILE QG   2.423 .  3.157 2.564 2.482 2.698     . 0 0 "[    .   ]" 1 
        526 1  26 ILE HA  1  26 ILE MG   2.053 .  2.580 2.287 2.196 2.364     . 0 0 "[    .   ]" 1 
        527 1  26 ILE HA  1  29 LEU H    4.719 .  7.503 3.237 3.093 3.360     . 0 0 "[    .   ]" 1 
        528 1  26 ILE HA  1  29 LEU HB2  2.850 .  3.865 2.919 1.880 3.333     . 0 0 "[    .   ]" 1 
        529 1  26 ILE HA  1  29 LEU HB3  3.046 .  4.206 4.123 3.511 4.288 0.082 6 0 "[    .   ]" 1 
        530 1  26 ILE HA  1  29 LEU HB3  3.380 .  4.808 3.774 3.380 3.951     . 0 0 "[    .   ]" 1 
        531 1  26 ILE HA  1  29 LEU MD1  2.674 .  3.568 2.328 1.983 3.992 0.424 2 0 "[    .   ]" 1 
        532 1  26 ILE HA  1  29 LEU MD2  2.885 .  3.925 3.232 1.825 3.771 0.020 2 0 "[    .   ]" 1 
        533 1  26 ILE HA  1  29 LEU HG   2.187 .  2.785 1.948 1.712 2.766     . 0 0 "[    .   ]" 1 
        534 1  26 ILE HA  1 113 LEU QD   3.564 .  5.152 4.610 4.241 4.777     . 0 0 "[    .   ]" 1 
        535 1  26 ILE HB  1  26 ILE MD   2.300 .  2.961 2.373 2.304 2.450     . 0 0 "[    .   ]" 1 
        536 1  26 ILE HB  1  26 ILE QG   2.595 .  3.436 2.375 2.353 2.398     . 0 0 "[    .   ]" 1 
        537 1  26 ILE HB  1  26 ILE MG   2.124 .  2.688 2.132 2.129 2.134     . 0 0 "[    .   ]" 1 
        538 1  26 ILE HB  1  29 LEU MD2  4.815 .  7.713 5.454 4.386 5.840     . 0 0 "[    .   ]" 1 
        539 1  26 ILE HB  1 112 LEU HA   3.311 .  4.681 3.616 3.476 3.873     . 0 0 "[    .   ]" 1 
        540 1  26 ILE MD  1  26 ILE QG   2.126 .  2.542 1.882 1.877 1.888     . 0 0 "[    .   ]" 1 
        541 1  26 ILE MD  1  26 ILE QG   2.030 .  2.545 1.796 1.792 1.798     . 0 0 "[    .   ]" 1 
        542 1  26 ILE MD  1 113 LEU HA   1.975 .  2.463 1.720 1.614 1.862     . 0 0 "[    .   ]" 1 
        543 1  26 ILE MD  1 112 LEU HB2  2.383 .  3.093 3.063 2.822 3.166 0.073 6 0 "[    .   ]" 1 
        544 1  26 ILE MD  1 112 LEU HB2  2.138 .  2.709 2.132 2.051 2.191     . 0 0 "[    .   ]" 1 
        545 1  26 ILE MD  1 112 LEU HB3  2.256 .  2.892 2.049 1.953 2.192     . 0 0 "[    .   ]" 1 
        546 1  26 ILE MD  1 112 LEU HB3  2.086 .  2.630 1.950 1.880 2.065     . 0 0 "[    .   ]" 1 
        547 1  26 ILE MD  1 113 LEU HA   3.097 .  4.296 2.131 1.837 2.522 0.061 6 0 "[    .   ]" 1 
        548 1  26 ILE MD  1 116 ARG HB3  3.038 .  4.192 3.931 3.256 4.347 0.155 1 0 "[    .   ]" 1 
        549 1  26 ILE MD  1 116 ARG QD   3.327 .  4.711 3.967 1.842 4.623 0.101 7 0 "[    .   ]" 1 
        550 1  26 ILE QG  1  28 VAL MG2  3.499 .  5.030 4.829 4.666 4.999     . 0 0 "[    .   ]" 1 
        551 1  26 ILE MG  1  27 PHE QD   3.153 .  4.396 3.893 3.416 4.250     . 0 0 "[    .   ]" 1 
        552 1  26 ILE MG  1  44 VAL QG   4.429 .  6.881 4.176 3.965 4.397     . 0 0 "[    .   ]" 1 
        553 1  26 ILE MG  1  47 MET ME   2.239 .  2.866 2.310 1.821 2.774     . 0 0 "[    .   ]" 1 
        554 1  26 ILE MG  1 112 LEU HA   2.357 .  3.051 2.021 1.747 2.401     . 0 0 "[    .   ]" 1 
        555 1  27 PHE H   1  27 PHE QB   3.388 .  4.823 2.048 1.963 2.184     . 0 0 "[    .   ]" 1 
        556 1  27 PHE HA  1  27 PHE QB   2.621 .  3.085 2.506 2.473 2.530     . 0 0 "[    .   ]" 1 
        557 1  27 PHE HA  1  27 PHE QD   2.557 .  3.374 2.979 2.861 3.073     . 0 0 "[    .   ]" 1 
        558 1  27 PHE HA  1  27 PHE QE   3.083 .  4.271 3.784 3.574 3.926     . 0 0 "[    .   ]" 1 
        559 1  27 PHE HA  1  28 VAL H    3.342 .  4.738 2.790 2.778 2.807     . 0 0 "[    .   ]" 1 
        560 1  27 PHE HA  1  36 ILE MD   4.057 .  6.114 4.519 4.307 4.665     . 0 0 "[    .   ]" 1 
        561 1  27 PHE HA  1  36 ILE MG   3.099 .  4.300 4.396 4.367 4.485 0.185 5 0 "[    .   ]" 1 
        562 1  27 PHE HA  1  44 VAL QG   2.942 .  4.024 2.488 2.134 3.942     . 0 0 "[    .   ]" 1 
        563 1  27 PHE HA  1 108 MET ME   2.773 .  3.734 2.983 1.845 3.657     . 0 0 "[    .   ]" 1 
        564 1  27 PHE HA  1 112 LEU HB3  3.571 .  5.165 4.240 4.084 4.454     . 0 0 "[    .   ]" 1 
        565 1  27 PHE HA  1 112 LEU MD1  2.450 .  3.200 2.484 1.907 3.486 0.286 1 0 "[    .   ]" 1 
        566 1  27 PHE HA  1 112 LEU MD2  2.645 .  3.520 2.925 2.051 3.593 0.073 5 0 "[    .   ]" 1 
        567 1  27 PHE QB  1  27 PHE QD   2.622 .  3.422 2.111 2.090 2.123     . 0 0 "[    .   ]" 1 
        568 1  27 PHE QB  1  28 VAL MG1  3.489 .  4.579 2.398 2.156 2.674     . 0 0 "[    .   ]" 1 
        569 1  27 PHE QB  1  28 VAL MG2  4.205 .  6.415 3.549 3.235 3.816     . 0 0 "[    .   ]" 1 
        570 1  27 PHE QB  1  36 ILE MD       . .  3.530 2.635 2.238 2.869     . 0 0 "[    .   ]" 1 
        571 1  27 PHE QB  1  36 ILE MD   2.916 .  3.979 2.343 2.181 2.464     . 0 0 "[    .   ]" 1 
        572 1  27 PHE QB  1  36 ILE QG   3.149 .  4.389 2.400 2.147 2.619     . 0 0 "[    .   ]" 1 
        573 1  27 PHE QB  1  36 ILE MG   3.429 .  4.899 3.774 3.631 3.895     . 0 0 "[    .   ]" 1 
        574 1  27 PHE QB  1  44 VAL QG   3.620 .  4.614 3.512 3.294 4.453     . 0 0 "[    .   ]" 1 
        575 1  27 PHE QB  1  44 VAL QG   3.356 .  4.764 2.878 2.453 3.468     . 0 0 "[    .   ]" 1 
        576 1  27 PHE QB  1  80 MET ME   3.329 .  4.715 3.902 3.172 4.709     . 0 0 "[    .   ]" 1 
        577 1  27 PHE QB  1 108 MET ME   2.984 .  4.097 3.688 2.268 4.863 0.766 7 3 "[*   . +-]" 1 
        578 1  27 PHE QB  1 112 LEU MD1  3.294 .  4.113 3.185 2.776 3.640     . 0 0 "[    .   ]" 1 
        579 1  27 PHE QB  1 112 LEU MD2  3.605 .  4.760 3.508 3.072 4.086     . 0 0 "[    .   ]" 1 
        580 1  27 PHE QD  1  41 LEU HA   3.053 .  4.218 2.892 2.561 3.099     . 0 0 "[    .   ]" 1 
        581 1  27 PHE QD  1  41 LEU QD   2.565 .  3.388 2.503 2.069 2.913     . 0 0 "[    .   ]" 1 
        582 1  27 PHE QD  1  44 VAL HB   3.727 .  5.464 3.124 2.434 3.805     . 0 0 "[    .   ]" 1 
        583 1  27 PHE QD  1  44 VAL QG   2.734 .  3.668 2.349 2.150 2.520     . 0 0 "[    .   ]" 1 
        584 1  27 PHE QD  1  47 MET ME   3.611 .  5.241 4.929 4.638 5.470 0.229 7 0 "[    .   ]" 1 
        585 1  27 PHE QD  1  80 MET ME   4.739 .  7.547 3.477 2.702 4.119     . 0 0 "[    .   ]" 1 
        586 1  27 PHE QD  1  36 ILE QG   3.123 .  4.342 2.276 1.832 2.970 0.072 1 0 "[    .   ]" 1 
        587 1  27 PHE QD  1  36 ILE MG   2.798 .  3.777 2.190 1.971 2.690     . 0 0 "[    .   ]" 1 
        588 1  27 PHE QD  1  40 GLU HB2  3.578 .  5.179 4.440 3.536 4.859     . 0 0 "[    .   ]" 1 
        589 1  27 PHE QD  1  40 GLU HB2  3.111 .  4.321 4.007 3.445 4.182     . 0 0 "[    .   ]" 1 
        590 1  27 PHE QD  1  44 VAL QG   2.789 .  3.762 2.623 2.359 3.221     . 0 0 "[    .   ]" 1 
        591 1  27 PHE QD  1 108 MET ME   2.842 .  3.852 2.530 1.733 3.745 0.099 5 0 "[    .   ]" 1 
        592 1  27 PHE QD  1 112 LEU MD1  2.666 .  3.554 2.765 1.784 3.487     . 0 0 "[    .   ]" 1 
        593 1  27 PHE QD  1 112 LEU MD2  3.926 .  5.853 2.652 2.024 3.353     . 0 0 "[    .   ]" 1 
        594 1  27 PHE QE  1  36 ILE MG   2.821 .  3.816 2.216 1.862 3.133     . 0 0 "[    .   ]" 1 
        595 1  27 PHE QE  1  41 LEU QD   2.732 .  3.665 2.417 1.872 2.852 0.097 8 0 "[    .   ]" 1 
        596 1  27 PHE QE  1  44 VAL HB   4.149 .  6.301 3.069 2.515 3.892     . 0 0 "[    .   ]" 1 
        597 1  27 PHE QE  1  44 VAL QG   2.811 .  3.799 2.315 2.056 2.640     . 0 0 "[    .   ]" 1 
        598 1  27 PHE QE  1  45 MET ME   3.850 .  5.703 4.456 3.335 4.993     . 0 0 "[    .   ]" 1 
        599 1  27 PHE QE  1  48 LEU QD   3.938 .  5.877 4.123 3.738 4.716     . 0 0 "[    .   ]" 1 
        600 1  27 PHE QE  1  80 MET ME   2.828 .  3.827 3.580 3.045 3.965 0.138 5 0 "[    .   ]" 1 
        601 1  27 PHE QE  1 108 MET ME   2.602 .  3.448 2.239 1.800 3.302     . 0 0 "[    .   ]" 1 
        602 1  27 PHE QE  1 103 ILE MD   2.950 .  4.038 2.864 2.436 3.571     . 0 0 "[    .   ]" 1 
        603 1  27 PHE QE  1 112 LEU MD2  3.316 .  4.691 3.407 2.767 4.307     . 0 0 "[    .   ]" 1 
        604 1  27 PHE HZ  1  36 ILE MG   5.820 . 10.054 3.922 3.747 4.500     . 0 0 "[    .   ]" 1 
        605 1  27 PHE HZ  1  41 LEU HA   3.465 .  4.965 3.296 2.625 4.006     . 0 0 "[    .   ]" 1 
        606 1  27 PHE HZ  1  41 LEU QD       . .  3.371 2.533 2.078 2.969     . 0 0 "[    .   ]" 1 
        607 1  27 PHE HZ  1  44 VAL HB   3.085 .  4.275 3.140 2.446 3.902     . 0 0 "[    .   ]" 1 
        608 1  27 PHE HZ  1  44 VAL QG   2.897 .  3.946 2.840 2.343 3.326     . 0 0 "[    .   ]" 1 
        609 1  27 PHE HZ  1  81 MET ME   5.805 . 10.017 4.951 4.318 5.595     . 0 0 "[    .   ]" 1 
        610 1  27 PHE HZ  1 103 ILE MD   2.626 .  3.488 2.162 1.970 2.579     . 0 0 "[    .   ]" 1 
        611 1  27 PHE HZ  1 108 MET QB   4.755 .  7.581 3.986 3.768 4.287     . 0 0 "[    .   ]" 1 
        612 1  28 VAL H   1  28 VAL MG1  2.739 .  3.677 2.619 2.510 2.826     . 0 0 "[    .   ]" 1 
        613 1  28 VAL H   1  28 VAL MG2  2.443 .  3.189 2.037 1.900 2.141     . 0 0 "[    .   ]" 1 
        614 1  28 VAL H   1  29 LEU H    2.529 .  3.329 2.540 2.451 2.649     . 0 0 "[    .   ]" 1 
        615 1  28 VAL HA  1  28 VAL HB   2.085 .  2.628 2.448 2.421 2.485     . 0 0 "[    .   ]" 1 
        616 1  28 VAL HA  1  28 VAL MG1  2.358 .  3.053 2.365 2.332 2.404     . 0 0 "[    .   ]" 1 
        617 1  28 VAL HA  1  28 VAL MG2  2.624 .  3.484 3.207 3.200 3.215     . 0 0 "[    .   ]" 1 
        618 1  28 VAL HA  1  28 VAL MG2  2.315 .  2.985 2.676 2.534 2.746     . 0 0 "[    .   ]" 1 
        619 1  28 VAL HA  1  31 ALA MB   2.389 .  3.102 2.406 2.222 2.606     . 0 0 "[    .   ]" 1 
        620 1  28 VAL HA  1  31 ALA MB   2.354 .  3.046 2.111 1.990 2.203     . 0 0 "[    .   ]" 1 
        621 1  28 VAL HA  1  36 ILE MG   3.523 .  5.075 4.805 4.659 4.970     . 0 0 "[    .   ]" 1 
        622 1  28 VAL HA  1  40 GLU HB2  4.320 .  6.653 4.475 3.845 4.749     . 0 0 "[    .   ]" 1 
        623 1  28 VAL HA  1  40 GLU HB2  2.642 .  3.515 2.359 1.944 2.548     . 0 0 "[    .   ]" 1 
        624 1  28 VAL HA  1  40 GLU HG2  2.782 .  3.750 2.628 2.242 3.870 0.120 8 0 "[    .   ]" 1 
        625 1  28 VAL HA  1  40 GLU HG3  4.130 .  6.263 2.368 1.946 2.561 0.051 4 0 "[    .   ]" 1 
        626 1  28 VAL HA  1  47 MET ME   3.647 .  5.310 4.745 4.308 5.221     . 0 0 "[    .   ]" 1 
        627 1  28 VAL HB  1  28 VAL MG1  2.272 .  2.917 2.126 2.120 2.132     . 0 0 "[    .   ]" 1 
        628 1  28 VAL HB  1  28 VAL MG2  2.113 .  2.671 2.132 2.128 2.138     . 0 0 "[    .   ]" 1 
        629 1  28 VAL HB  1  31 ALA MB   2.319 .  2.991 2.002 1.876 2.167     . 0 0 "[    .   ]" 1 
        630 1  28 VAL HB  1  34 GLY HA3  3.126 .  4.348 4.272 4.059 4.376 0.028 1 0 "[    .   ]" 1 
        631 1  28 VAL HB  1  40 GLU HG2  4.913 .  7.931 3.524 3.040 4.947     . 0 0 "[    .   ]" 1 
        632 1  28 VAL MG1 1  28 VAL MG2  2.075 .  2.613 2.081 2.067 2.091     . 0 0 "[    .   ]" 1 
        633 1  28 VAL MG1 1  31 ALA MB   2.724 .  3.651 2.955 2.761 3.128     . 0 0 "[    .   ]" 1 
        634 1  28 VAL MG1 1  34 GLY HA3  3.242 .  4.556 4.567 4.513 4.640 0.084 4 0 "[    .   ]" 1 
        635 1  28 VAL MG1 1  35 SER HA   2.424 .  3.158 2.413 2.224 2.604     . 0 0 "[    .   ]" 1 
        636 1  28 VAL MG1 1  35 SER HB2  3.557 .  5.139 4.588 4.434 4.792     . 0 0 "[    .   ]" 1 
        637 1  28 VAL MG1 1  35 SER HB3  3.805 .  5.615 4.322 4.149 4.516     . 0 0 "[    .   ]" 1 
        638 1  28 VAL MG1 1  36 ILE HA   2.931 .  4.005 2.138 2.005 2.386     . 0 0 "[    .   ]" 1 
        639 1  28 VAL MG1 1  36 ILE QG   2.422 .  3.155 2.026 1.942 2.142     . 0 0 "[    .   ]" 1 
        640 1  28 VAL MG1 1  40 GLU HB2  3.300 .  4.662 3.189 2.493 3.416     . 0 0 "[    .   ]" 1 
        641 1  28 VAL MG1 1  40 GLU HB3  4.773 .  7.620 3.156 2.936 3.322     . 0 0 "[    .   ]" 1 
        642 1  28 VAL MG1 1  40 GLU HG2  3.188 .  4.458 2.613 2.249 3.962     . 0 0 "[    .   ]" 1 
        643 1  28 VAL MG1 1  43 LYS QD   3.720 .  5.450 5.032 4.714 5.527 0.077 3 0 "[    .   ]" 1 
        644 1  28 VAL MG1 1  61 ILE MD   3.738 .  5.485 5.018 4.776 5.319     . 0 0 "[    .   ]" 1 
        645 1  28 VAL MG1 1  72 VAL HB   3.925 .  5.850 5.115 4.728 5.600     . 0 0 "[    .   ]" 1 
        646 1  28 VAL MG2 1  31 ALA MB   2.528 .  3.327 3.161 3.055 3.276     . 0 0 "[    .   ]" 1 
        647 1  28 VAL MG2 1  34 GLY HA2  2.810 .  3.797 2.870 2.654 2.982     . 0 0 "[    .   ]" 1 
        648 1  28 VAL MG2 1  34 GLY HA3  2.797 .  3.775 3.716 3.475 3.876 0.101 6 0 "[    .   ]" 1 
        649 1  28 VAL MG2 1  35 SER HA   3.263 .  4.594 3.784 3.578 4.084     . 0 0 "[    .   ]" 1 
        650 1  28 VAL MG2 1  36 ILE QG   3.478 .  4.990 3.920 3.811 4.052     . 0 0 "[    .   ]" 1 
        651 1  28 VAL MG2 1  40 GLU HB2  4.107 .  6.215 4.854 4.420 5.036     . 0 0 "[    .   ]" 1 
        652 1  29 LEU H   1  29 LEU HA   2.287 .  2.941 2.847 2.815 2.883     . 0 0 "[    .   ]" 1 
        653 1  29 LEU H   1  29 LEU HB2  2.168 .  2.756 2.177 2.085 2.229     . 0 0 "[    .   ]" 1 
        654 1  29 LEU H   1  29 LEU HB3  2.882 .  3.920 3.475 2.930 3.631     . 0 0 "[    .   ]" 1 
        655 1  29 LEU H   1  29 LEU MD2  4.745 .  7.560 3.766 3.570 4.034     . 0 0 "[    .   ]" 1 
        656 1  29 LEU HA  1  29 LEU HB2  2.370 .  3.072 2.957 2.731 3.025     . 0 0 "[    .   ]" 1 
        657 1  29 LEU HA  1  29 LEU HB3  2.188 .  2.786 2.651 2.504 2.945 0.159 2 0 "[    .   ]" 1 
        658 1  29 LEU HA  1  29 LEU MD2  2.087 .  2.631 1.967 1.908 2.043     . 0 0 "[    .   ]" 1 
        659 1  29 LEU HA  1  29 LEU HG   2.783 .  3.751 2.948 2.700 3.665     . 0 0 "[    .   ]" 1 
        660 1  29 LEU HA  1  30 GLY H    2.443 .  3.189 2.125 2.101 2.155     . 0 0 "[    .   ]" 1 
        661 1  29 LEU HA  1  31 ALA H    2.532 .  3.334 2.860 2.808 2.916     . 0 0 "[    .   ]" 1 
        662 1  29 LEU HB2 1  29 LEU MD1  2.132 .  2.700 2.397 2.229 3.146 0.446 2 0 "[    .   ]" 1 
        663 1  29 LEU HB3 1  29 LEU MD1  2.328 .  3.006 2.393 2.259 2.467     . 0 0 "[    .   ]" 1 
        664 1  29 LEU HB3 1  29 LEU MD2  2.251 .  2.884 2.458 2.299 3.203 0.319 2 0 "[    .   ]" 1 
        665 1  29 LEU MD2 1  29 LEU HG   2.202 .  2.808 2.124 2.117 2.126     . 0 0 "[    .   ]" 1 
        666 1  29 LEU MD2 1  31 ALA MB   3.806 .  5.617 5.152 4.915 5.491     . 0 0 "[    .   ]" 1 
        667 1  30 GLY H   1  31 ALA H    2.861 .  3.884 2.290 2.229 2.426     . 0 0 "[    .   ]" 1 
        668 1  30 GLY HA2 1  31 ALA HA   2.799 .  3.779 3.939 3.928 3.953 0.174 4 0 "[    .   ]" 1 
        669 1  30 GLY HA3 1  31 ALA HA   3.196 .  4.473 4.445 4.427 4.479 0.006 4 0 "[    .   ]" 1 
        670 1  30 GLY HA3 1  31 ALA MB   3.129 .  4.353 3.885 3.800 3.983     . 0 0 "[    .   ]" 1 
        671 1  31 ALA H   1  31 ALA HA   2.538 .  3.343 2.886 2.842 2.911     . 0 0 "[    .   ]" 1 
        672 1  31 ALA H   1  31 ALA MB   2.148 .  2.725 2.301 2.279 2.317     . 0 0 "[    .   ]" 1 
        673 1  31 ALA HA  1  31 ALA MB   1.955 .  2.433 2.130 2.127 2.135     . 0 0 "[    .   ]" 1 
        674 1  31 ALA HA  1  32 GLU H    3.807 .  5.619 2.243 2.155 2.317     . 0 0 "[    .   ]" 1 
        675 1  31 ALA HA  1  32 GLU QG   3.420 .  4.882 3.625 3.046 4.042     . 0 0 "[    .   ]" 1 
        676 1  31 ALA HA  1  43 LYS QB   4.821 .  7.726 6.871 6.498 7.485     . 0 0 "[    .   ]" 1 
        677 1  31 ALA MB  1  32 GLU HA   3.433 .  4.906 4.313 4.260 4.355     . 0 0 "[    .   ]" 1 
        678 1  31 ALA MB  1  32 GLU QB   3.054 .  4.220 4.126 3.938 4.307 0.087 1 0 "[    .   ]" 1 
        679 1  31 ALA MB  1  33 ASP H    3.316 .  4.690 2.981 2.870 3.071     . 0 0 "[    .   ]" 1 
        680 1  31 ALA MB  1  34 GLY H    3.000 .  4.125 2.263 2.094 2.359     . 0 0 "[    .   ]" 1 
        681 1  31 ALA MB  1  34 GLY HA2  2.887 .  3.929 2.347 2.166 2.463     . 0 0 "[    .   ]" 1 
        682 1  31 ALA MB  1  34 GLY HA3  2.867 .  3.894 3.809 3.674 3.927 0.033 5 0 "[    .   ]" 1 
        683 1  31 ALA MB  1  35 SER H    2.497 .  3.276 3.368 3.293 3.424 0.148 3 0 "[    .   ]" 1 
        684 1  31 ALA MB  1  36 ILE MG   3.644 .  5.304 5.240 5.101 5.372 0.068 1 0 "[    .   ]" 1 
        685 1  31 ALA MB  1  40 GLU HG2  2.643 .  3.516 2.390 2.128 2.961     . 0 0 "[    .   ]" 1 
        686 1  31 ALA MB  1  40 GLU HG3  2.686 .  3.588 2.624 2.007 3.232     . 0 0 "[    .   ]" 1 
        687 1  31 ALA MB  1  71 THR MG   3.540 .  5.106 4.689 4.473 5.002     . 0 0 "[    .   ]" 1 
        688 1  32 GLU H   1  32 GLU QB   3.555 .  5.134 2.293 2.199 2.448     . 0 0 "[    .   ]" 1 
        689 1  32 GLU HA  1  32 GLU QB   1.927 .  2.391 2.363 2.296 2.455 0.064 2 0 "[    .   ]" 1 
        690 1  32 GLU HA  1  32 GLU QG   2.389 .  3.102 2.531 2.404 2.907     . 0 0 "[    .   ]" 1 
        691 1  32 GLU HA  1  33 ASP H    2.821 .  3.816 3.540 3.522 3.566     . 0 0 "[    .   ]" 1 
        692 1  32 GLU QB  1  33 ASP H    2.905 .  3.960 2.487 2.351 2.583     . 0 0 "[    .   ]" 1 
        693 1  32 GLU QB  1  33 ASP HB2  3.769 .  5.545 4.063 3.848 4.277     . 0 0 "[    .   ]" 1 
        694 1  32 GLU QB  1  33 ASP HB3  3.494 .  5.020 4.945 4.420 5.116 0.096 4 0 "[    .   ]" 1 
        695 1  33 ASP H   1  33 ASP HA   2.201 .  2.807 2.903 2.882 2.915 0.108 8 0 "[    .   ]" 1 
        696 1  33 ASP H   1  33 ASP HB2  3.313 .  4.685 2.485 2.373 2.766     . 0 0 "[    .   ]" 1 
        697 1  33 ASP H   1  33 ASP HB3  3.035 .  4.186 3.369 2.486 3.670     . 0 0 "[    .   ]" 1 
        698 1  33 ASP H   1  34 GLY H    2.635 .  3.503 2.195 2.079 2.317     . 0 0 "[    .   ]" 1 
        699 1  33 ASP HA  1  33 ASP HB2  2.212 .  2.823 2.874 2.452 3.000 0.177 8 0 "[    .   ]" 1 
        700 1  33 ASP HA  1  33 ASP HB3  2.246 .  2.877 2.620 2.426 3.000 0.123 3 0 "[    .   ]" 1 
        701 1  33 ASP HA  1  35 SER H    3.202 .  4.484 4.243 4.131 4.403     . 0 0 "[    .   ]" 1 
        702 1  33 ASP HB2 1  35 SER HB2  3.724 .  5.458 3.731 2.850 4.915     . 0 0 "[    .   ]" 1 
        703 1  33 ASP HB3 1  71 THR MG   4.188 .  6.381 3.798 2.840 4.280     . 0 0 "[    .   ]" 1 
        704 1  34 GLY HA3 1  35 SER H    2.451 .  3.202 3.253 3.203 3.298 0.096 2 0 "[    .   ]" 1 
        705 1  35 SER H   1  35 SER HA   2.768 .  3.726 2.952 2.942 2.973     . 0 0 "[    .   ]" 1 
        706 1  35 SER H   1  35 SER HB2  3.015 .  4.152 2.715 2.481 2.997     . 0 0 "[    .   ]" 1 
        707 1  35 SER H   1  35 SER HB3  3.143 .  4.378 3.764 3.674 3.842     . 0 0 "[    .   ]" 1 
        708 1  35 SER HA  1  35 SER HB2  2.293 .  2.950 3.021 2.996 3.029 0.079 8 0 "[    .   ]" 1 
        709 1  35 SER HA  1  35 SER HB3  2.306 .  2.971 2.404 2.303 2.488     . 0 0 "[    .   ]" 1 
        710 1  35 SER HA  1  36 ILE H    2.463 .  3.221 2.320 2.298 2.341     . 0 0 "[    .   ]" 1 
        711 1  35 SER HA  1  36 ILE QG   3.148 .  4.386 3.454 3.349 3.644     . 0 0 "[    .   ]" 1 
        712 1  35 SER HA  1  36 ILE MG   4.141 .  6.284 4.197 4.003 4.337     . 0 0 "[    .   ]" 1 
        713 1  35 SER HA  1  73 ASP HA   2.578 .  3.409 2.900 2.669 3.034     . 0 0 "[    .   ]" 1 
        714 1  35 SER HA  1  73 ASP HB2  3.228 .  4.531 4.184 3.288 4.584 0.053 2 0 "[    .   ]" 1 
        715 1  35 SER HB2 1  36 ILE H    3.663 .  5.340 3.627 3.391 3.794     . 0 0 "[    .   ]" 1 
        716 1  35 SER HB2 1  71 THR HB   2.413 .  3.141 2.011 1.786 2.407     . 0 0 "[    .   ]" 1 
        717 1  35 SER HB2 1  71 THR MG   3.178 .  4.440 2.783 2.528 3.105     . 0 0 "[    .   ]" 1 
        718 1  35 SER HB2 1  73 ASP HA   3.272 .  4.610 4.431 4.148 4.620 0.010 5 0 "[    .   ]" 1 
        719 1  35 SER HB2 1  73 ASP HB2  4.007 .  6.014 4.462 3.721 5.475     . 0 0 "[    .   ]" 1 
        720 1  35 SER HB2 1  73 ASP HB3  3.886 .  5.773 5.121 4.379 5.824 0.051 6 0 "[    .   ]" 1 
        721 1  35 SER HB3 1  36 ILE H    3.232 .  4.538 2.737 2.568 2.927     . 0 0 "[    .   ]" 1 
        722 1  35 SER HB3 1  71 THR HA   2.985 .  4.099 4.505 4.189 5.019 0.920 7 3 "[*-  . + ]" 1 
        723 1  35 SER HB3 1  71 THR HB   2.369 .  3.070 2.522 2.011 3.124 0.054 7 0 "[    .   ]" 1 
        724 1  35 SER HB3 1  71 THR MG   2.797 .  3.775 3.766 3.368 4.343 0.568 7 2 "[-   . + ]" 1 
        725 1  35 SER HB3 1  73 ASP HA   3.214 .  4.505 2.808 2.403 3.008     . 0 0 "[    .   ]" 1 
        726 1  35 SER HB3 1  73 ASP HB2  3.622 .  5.262 3.201 2.380 4.376     . 0 0 "[    .   ]" 1 
        727 1  36 ILE H   1  36 ILE HB   2.514 .  3.304 2.550 2.507 2.614     . 0 0 "[    .   ]" 1 
        728 1  36 ILE H   1  36 ILE MD   3.006 .  4.136 3.512 3.423 3.651     . 0 0 "[    .   ]" 1 
        729 1  36 ILE H   1  36 ILE QG   2.674 .  3.568 1.998 1.918 2.181     . 0 0 "[    .   ]" 1 
        730 1  36 ILE H   1  72 VAL H    2.990 .  4.108 3.055 2.954 3.140     . 0 0 "[    .   ]" 1 
        731 1  36 ILE H   1  72 VAL HB   4.768 .  7.610 3.783 3.473 4.120     . 0 0 "[    .   ]" 1 
        732 1  36 ILE HA  1  36 ILE MD   3.502 .  5.035 3.845 3.823 3.863     . 0 0 "[    .   ]" 1 
        733 1  36 ILE HA  1  36 ILE QG   2.691 .  3.596 2.449 2.422 2.507     . 0 0 "[    .   ]" 1 
        734 1  36 ILE HA  1  36 ILE MG   2.452 .  3.204 2.394 2.355 2.481     . 0 0 "[    .   ]" 1 
        735 1  36 ILE HA  1  37 SER H    2.277 .  2.925 2.169 2.135 2.218     . 0 0 "[    .   ]" 1 
        736 1  36 ILE HA  1  41 LEU HG   4.280 .  6.569 4.709 3.856 5.426     . 0 0 "[    .   ]" 1 
        737 1  36 ILE HA  1  40 GLU HB2  2.711 .  3.630 2.708 2.519 3.129     . 0 0 "[    .   ]" 1 
        738 1  36 ILE HA  1  40 GLU HB3  3.207 .  4.492 2.561 2.195 3.421     . 0 0 "[    .   ]" 1 
        739 1  36 ILE HA  1  40 GLU HG2  3.714 .  5.438 2.816 2.445 4.002     . 0 0 "[    .   ]" 1 
        740 1  36 ILE HA  1  40 GLU HG3  3.300 .  4.661 3.902 3.271 4.120     . 0 0 "[    .   ]" 1 
        741 1  36 ILE HA  1  71 THR MG   2.846 .  3.859 4.006 3.916 4.198 0.339 1 0 "[    .   ]" 1 
        742 1  36 ILE HB  1  36 ILE MD   2.407 .  3.131 2.386 2.350 2.425     . 0 0 "[    .   ]" 1 
        743 1  36 ILE HB  1  36 ILE MD   2.474 .  3.239 2.164 2.009 2.313     . 0 0 "[    .   ]" 1 
        744 1  36 ILE HB  1  36 ILE MG   2.305 .  2.969 2.124 2.096 2.134     . 0 0 "[    .   ]" 1 
        745 1  36 ILE HB  1  61 ILE MD   2.360 .  3.056 2.612 2.319 2.729     . 0 0 "[    .   ]" 1 
        746 1  36 ILE HB  1  72 VAL H    3.316 .  4.691 2.448 2.141 2.761     . 0 0 "[    .   ]" 1 
        747 1  36 ILE HB  1  72 VAL HA   4.357 .  6.730 4.339 4.052 4.536     . 0 0 "[    .   ]" 1 
        748 1  36 ILE HB  1  72 VAL HB   1.609 .  1.932 2.000 1.800 2.394 0.462 7 0 "[    .   ]" 1 
        749 1  36 ILE HB  1  72 VAL QG   3.230 .  3.468 2.706 2.465 2.966     . 0 0 "[    .   ]" 1 
        750 1  36 ILE MD  1  36 ILE QG   2.072 .  2.609 1.882 1.878 1.888     . 0 0 "[    .   ]" 1 
        751 1  36 ILE MD  1  36 ILE MG   2.149 .  2.726 1.979 1.790 2.120     . 0 0 "[    .   ]" 1 
        752 1  36 ILE MD  1  41 LEU QD   3.407 .  4.858 3.294 2.915 3.662     . 0 0 "[    .   ]" 1 
        753 1  36 ILE MD  1  61 ILE MD   3.403 .  4.851 4.240 3.846 4.711     . 0 0 "[    .   ]" 1 
        754 1  36 ILE MD  1  72 VAL HB   2.669 .  3.560 2.907 2.472 3.172     . 0 0 "[    .   ]" 1 
        755 1  36 ILE MD  1  72 VAL QG   2.532 .  3.334 1.997 1.746 2.492 0.172 1 0 "[    .   ]" 1 
        756 1  36 ILE MD  1  77 PHE QD   4.721 .  7.507 1.866 1.631 2.098 0.304 3 0 "[    .   ]" 1 
        757 1  36 ILE MD  1  80 MET ME   3.206 .  4.491 2.565 2.145 3.100     . 0 0 "[    .   ]" 1 
        758 1  36 ILE MD  1  81 MET ME   4.119 .  6.240 4.245 4.105 4.473     . 0 0 "[    .   ]" 1 
        759 1  36 ILE QG  1  36 ILE MG   2.698 .  3.608 2.300 2.253 2.323     . 0 0 "[    .   ]" 1 
        760 1  36 ILE QG  1  36 ILE MG   2.347 .  3.036 1.947 1.877 2.036     . 0 0 "[    .   ]" 1 
        761 1  36 ILE QG  1  72 VAL HB   3.238 .  4.548 3.762 3.569 4.079     . 0 0 "[    .   ]" 1 
        762 1  36 ILE MG  1  37 SER H    4.227 .  6.461 3.209 3.100 3.253     . 0 0 "[    .   ]" 1 
        763 1  36 ILE MG  1  37 SER HA   3.234 .  4.542 3.823 3.740 3.912     . 0 0 "[    .   ]" 1 
        764 1  36 ILE MG  1  40 GLU HB2  2.528 .  3.327 2.870 2.509 3.336 0.009 1 0 "[    .   ]" 1 
        765 1  36 ILE MG  1  40 GLU HB3  2.536 .  3.340 2.354 2.078 3.089     . 0 0 "[    .   ]" 1 
        766 1  36 ILE MG  1  40 GLU HG2  4.167 .  6.338 4.032 3.752 4.562     . 0 0 "[    .   ]" 1 
        767 1  36 ILE MG  1  40 GLU HG3  3.845 .  5.693 4.416 4.284 4.620     . 0 0 "[    .   ]" 1 
        768 1  36 ILE MG  1  41 LEU H    3.223 .  4.521 2.721 2.305 2.968     . 0 0 "[    .   ]" 1 
        769 1  36 ILE MG  1  41 LEU HA   2.811 .  3.798 2.734 2.323 3.001     . 0 0 "[    .   ]" 1 
        770 1  36 ILE MG  1  41 LEU HB2  2.328 .  3.005 2.110 1.998 2.321     . 0 0 "[    .   ]" 1 
        771 1  36 ILE MG  1  41 LEU HB3  2.596 .  3.439 3.463 3.326 3.602 0.163 5 0 "[    .   ]" 1 
        772 1  36 ILE MG  1  41 LEU HG   2.190 .  2.790 3.617 2.876 4.466 1.676 6 4 "[    -+**]" 1 
        773 1  36 ILE MG  1  42 GLY HA3  4.478 .  6.985 6.190 6.022 6.415     . 0 0 "[    .   ]" 1 
        774 1  36 ILE MG  1  72 VAL QG   2.423 .  3.157 1.690 1.605 1.858 0.084 5 0 "[    .   ]" 1 
        775 1  36 ILE MG  1  72 VAL HB   2.337 .  3.019 3.186 2.894 3.461 0.442 7 0 "[    .   ]" 1 
        776 1  36 ILE MG  1 108 MET ME   4.767 .  7.607 5.789 5.386 6.183     . 0 0 "[    .   ]" 1 
        777 1  37 SER H   1  40 GLU H    4.224 .  6.454 3.354 3.214 3.556     . 0 0 "[    .   ]" 1 
        778 1  37 SER H   1  40 GLU HB3  2.705 .  3.620 3.108 2.570 3.978 0.358 8 0 "[    .   ]" 1 
        779 1  37 SER HA  1  37 SER HB2  2.230 .  2.852 2.434 2.402 2.498     . 0 0 "[    .   ]" 1 
        780 1  37 SER HA  1  37 SER HB3  2.191 .  2.791 2.500 2.447 2.534     . 0 0 "[    .   ]" 1 
        781 1  37 SER HA  1  38 THR H    3.145 .  4.382 2.660 2.540 2.780     . 0 0 "[    .   ]" 1 
        782 1  37 SER HA  1  38 THR MG   3.455 .  4.947 3.760 3.600 3.948     . 0 0 "[    .   ]" 1 
        783 1  37 SER HA  1  61 ILE MD   2.702 .  3.614 2.751 2.575 2.961     . 0 0 "[    .   ]" 1 
        784 1  37 SER HA  1  61 ILE MD   2.455 .  3.208 2.664 2.542 2.815     . 0 0 "[    .   ]" 1 
        785 1  37 SER HA  1  61 ILE MG   2.976 .  4.083 3.692 3.279 4.074     . 0 0 "[    .   ]" 1 
        786 1  37 SER HA  1  71 THR HA   2.329 .  3.007 2.509 2.158 2.693     . 0 0 "[    .   ]" 1 
        787 1  37 SER HA  1  71 THR HB   3.108 .  4.315 4.292 4.178 4.358 0.043 5 0 "[    .   ]" 1 
        788 1  37 SER HA  1  71 THR HB   2.953 .  4.043 4.090 4.031 4.163 0.120 5 0 "[    .   ]" 1 
        789 1  37 SER HA  1  71 THR MG   2.416 .  3.146 2.156 1.985 2.361     . 0 0 "[    .   ]" 1 
        790 1  37 SER HB2 1  38 THR H    2.961 .  4.057 2.187 2.019 2.374     . 0 0 "[    .   ]" 1 
        791 1  37 SER HB2 1  61 ILE MD   3.397 .  4.840 4.426 4.147 4.724     . 0 0 "[    .   ]" 1 
        792 1  37 SER HB2 1  61 ILE MD   3.843 .  5.689 4.199 4.067 4.400     . 0 0 "[    .   ]" 1 
        793 1  37 SER HB2 1  71 THR MG   2.738 .  3.675 3.030 2.843 3.169     . 0 0 "[    .   ]" 1 
        794 1  37 SER HB3 1  71 THR MG   2.360 .  3.056 2.223 1.991 2.469     . 0 0 "[    .   ]" 1 
        795 1  38 THR H   1  38 THR MG   2.888 .  3.930 2.199 1.905 2.495     . 0 0 "[    .   ]" 1 
        796 1  38 THR HA  1  38 THR HB   2.129 .  2.696 2.485 2.423 2.555     . 0 0 "[    .   ]" 1 
        797 1  38 THR HA  1  38 THR MG   2.175 .  2.766 2.284 2.101 2.407     . 0 0 "[    .   ]" 1 
        798 1  38 THR HA  1  38 THR MG   2.169 .  2.757 1.925 1.803 2.034     . 0 0 "[    .   ]" 1 
        799 1  38 THR HA  1  41 LEU HB2  2.656 .  3.538 3.144 2.808 3.484     . 0 0 "[    .   ]" 1 
        800 1  38 THR HA  1  41 LEU HB3  2.322 .  2.996 2.610 2.081 3.007 0.011 3 0 "[    .   ]" 1 
        801 1  38 THR HA  1  41 LEU QD   3.068 .  4.245 3.514 3.154 3.998     . 0 0 "[    .   ]" 1 
        802 1  38 THR HA  1  57 LEU HB2  3.132 .  4.358 3.381 3.214 3.615     . 0 0 "[    .   ]" 1 
        803 1  38 THR HA  1  57 LEU HB3  3.002 .  4.129 2.439 2.184 2.696     . 0 0 "[    .   ]" 1 
        804 1  38 THR HA  1  57 LEU MD1  3.309 .  4.677 3.333 3.065 3.551     . 0 0 "[    .   ]" 1 
        805 1  38 THR HA  1  57 LEU MD2  3.147 .  4.385 3.854 3.632 4.144     . 0 0 "[    .   ]" 1 
        806 1  38 THR HA  1  61 ILE HA   4.787 .  7.651 4.778 4.463 5.118     . 0 0 "[    .   ]" 1 
        807 1  38 THR HA  1  61 ILE QG   3.322 .  4.701 2.525 2.049 3.678     . 0 0 "[    .   ]" 1 
        808 1  38 THR HA  1  61 ILE MG   3.019 .  4.158 3.479 3.322 3.707     . 0 0 "[    .   ]" 1 
        809 1  38 THR HA  1  72 VAL QG   4.217 .  6.440 5.392 5.249 5.656     . 0 0 "[    .   ]" 1 
        810 1  38 THR HA  1  61 ILE MD   2.358 .  3.053 2.440 2.072 2.714     . 0 0 "[    .   ]" 1 
        811 1  38 THR HA  1  61 ILE QG   2.855 .  3.072 3.122 2.566 4.215 1.143 6 2 "[    .+- ]" 1 
        812 1  38 THR HB  1  38 THR MG   2.043 .  2.565 2.130 2.125 2.136     . 0 0 "[    .   ]" 1 
        813 1  38 THR HB  1  61 ILE MD   2.890 .  3.934 3.841 3.702 4.004 0.070 4 0 "[    .   ]" 1 
        814 1  38 THR HB  1  41 LEU HB3  3.568 .  5.160 3.872 3.650 4.023     . 0 0 "[    .   ]" 1 
        815 1  38 THR HB  1  57 LEU HB2  2.956 .  4.048 2.123 1.963 2.222     . 0 0 "[    .   ]" 1 
        816 1  38 THR HB  1  57 LEU HB3  2.556 .  3.373 2.728 2.395 3.082     . 0 0 "[    .   ]" 1 
        817 1  38 THR HB  1  61 ILE MD   3.190 .  4.462 4.195 3.848 4.541 0.079 5 0 "[    .   ]" 1 
        818 1  38 THR MG  1  39 LYS HA   3.028 .  4.174 3.799 3.560 4.024     . 0 0 "[    .   ]" 1 
        819 1  38 THR MG  1  57 LEU HA   3.355 .  4.762 4.087 3.708 4.424     . 0 0 "[    .   ]" 1 
        820 1  38 THR MG  1  57 LEU HB2  2.365 .  3.064 2.667 2.083 3.094 0.030 2 0 "[    .   ]" 1 
        821 1  38 THR MG  1  58 GLN HA   2.415 .  3.144 2.114 1.906 2.435     . 0 0 "[    .   ]" 1 
        822 1  38 THR MG  1  58 GLN QB   2.922 .  3.989 2.361 2.085 3.216     . 0 0 "[    .   ]" 1 
        823 1  38 THR MG  1  58 GLN HG2  2.929 .  4.002 3.284 2.152 3.964     . 0 0 "[    .   ]" 1 
        824 1  38 THR MG  1  58 GLN HG3  3.034 .  4.184 2.735 1.851 3.462 0.033 8 0 "[    .   ]" 1 
        825 1  38 THR MG  1  61 ILE HB   2.675 .  3.569 3.395 3.253 3.563     . 0 0 "[    .   ]" 1 
        826 1  38 THR MG  1  61 ILE MD   2.238 .  2.864 2.465 1.866 2.977 0.113 5 0 "[    .   ]" 1 
        827 1  38 THR MG  1  61 ILE QG   2.568 .  2.705 2.421 1.760 3.777 1.072 6 2 "[    .+- ]" 1 
        828 1  38 THR MG  1  61 ILE MG   2.893 .  3.939 3.497 3.255 3.813     . 0 0 "[    .   ]" 1 
        829 1  38 THR MG  1  71 THR HA   3.360 .  4.771 4.912 4.802 4.959 0.188 4 0 "[    .   ]" 1 
        830 1  39 LYS H   1  39 LYS HA   2.738 .  3.675 2.787 2.756 2.803     . 0 0 "[    .   ]" 1 
        831 1  39 LYS H   1  39 LYS HB2  2.231 .  2.853 2.442 2.357 2.664     . 0 0 "[    .   ]" 1 
        832 1  39 LYS H   1  39 LYS HB3  2.264 .  2.904 2.570 2.345 2.661     . 0 0 "[    .   ]" 1 
        833 1  39 LYS H   1  40 GLU H    2.843 .  3.854 2.818 2.755 2.857     . 0 0 "[    .   ]" 1 
        834 1  39 LYS HA  1  39 LYS HB3  2.101 .  2.653 2.999 2.974 3.030 0.377 7 0 "[    .   ]" 1 
        835 1  39 LYS HA  1  39 LYS HG2  2.368 .  3.069 3.050 3.001 3.125 0.056 6 0 "[    .   ]" 1 
        836 1  39 LYS HA  1  39 LYS HG3  2.684 .  3.585 2.579 2.437 2.845     . 0 0 "[    .   ]" 1 
        837 1  39 LYS HA  1  61 ILE MD   3.111 .  4.320 4.549 4.354 4.981 0.661 1 1 "[+   .   ]" 1 
        838 1  39 LYS HA  1  57 LEU MD1  2.969 .  4.071 3.683 3.299 4.289 0.218 6 0 "[    .   ]" 1 
        839 1  39 LYS HB2 1  39 LYS HG3  2.333 .  3.013 2.432 2.360 2.489     . 0 0 "[    .   ]" 1 
        840 1  39 LYS HB3 1  39 LYS QE   3.227 .  4.529 3.654 1.920 4.085 0.005 2 0 "[    .   ]" 1 
        841 1  39 LYS HB3 1  39 LYS HG3  2.411 .  3.137 3.001 2.993 3.010     . 0 0 "[    .   ]" 1 
        842 1  39 LYS HB3 1  40 GLU H    2.584 .  3.418 2.193 2.041 2.469     . 0 0 "[    .   ]" 1 
        843 1  39 LYS HB3 1  71 THR MG   3.974 .  5.948 5.710 5.468 6.019 0.071 1 0 "[    .   ]" 1 
        844 1  39 LYS QE  1  39 LYS HG2  2.148 .  2.725 2.095 1.999 2.273     . 0 0 "[    .   ]" 1 
        845 1  39 LYS QE  1  39 LYS HG3  2.530 .  3.330 2.911 2.347 3.322     . 0 0 "[    .   ]" 1 
        846 1  40 GLU H   1  40 GLU HA   2.694 .  3.602 2.733 2.692 2.810     . 0 0 "[    .   ]" 1 
        847 1  40 GLU H   1  40 GLU HB3  2.750 .  3.695 3.424 3.261 3.524     . 0 0 "[    .   ]" 1 
        848 1  40 GLU H   1  40 GLU HG3  2.497 .  3.276 3.700 3.567 4.173 0.897 1 2 "[+  -.   ]" 1 
        849 1  40 GLU H   1  41 LEU H    2.626 .  3.488 2.895 2.684 3.014     . 0 0 "[    .   ]" 1 
        850 1  40 GLU HA  1  40 GLU HB2  2.568 .  3.392 2.940 2.839 2.992     . 0 0 "[    .   ]" 1 
        851 1  40 GLU HA  1  40 GLU HB2  2.239 .  2.865 2.267 2.107 2.853     . 0 0 "[    .   ]" 1 
        852 1  40 GLU HA  1  40 GLU HB3  2.310 .  2.977 2.678 2.464 2.823     . 0 0 "[    .   ]" 1 
        853 1  40 GLU HA  1  40 GLU HG2  2.697 .  3.606 3.471 3.049 3.564     . 0 0 "[    .   ]" 1 
        854 1  40 GLU HA  1  40 GLU HG3  2.552 .  3.366 2.423 2.161 3.600 0.234 8 0 "[    .   ]" 1 
        855 1  40 GLU HA  1  43 LYS H    3.495 .  5.021 3.575 3.364 3.834     . 0 0 "[    .   ]" 1 
        856 1  40 GLU HA  1  43 LYS QB   2.235 .  2.859 2.380 1.977 2.627     . 0 0 "[    .   ]" 1 
        857 1  40 GLU HA  1  43 LYS QD   2.761 .  3.714 2.733 2.107 3.474     . 0 0 "[    .   ]" 1 
        858 1  40 GLU HA  1  43 LYS HG3  3.524 .  5.077 4.666 4.135 5.159 0.082 1 0 "[    .   ]" 1 
        859 1  40 GLU HB2 1  40 GLU HG2  2.355 .  3.048 2.487 2.344 2.552     . 0 0 "[    .   ]" 1 
        860 1  40 GLU HB2 1  61 ILE MD   3.212 .  4.502 4.350 4.149 4.692 0.190 8 0 "[    .   ]" 1 
        861 1  40 GLU HB3 1  40 GLU HG2  2.184 .  2.780 2.444 2.343 2.994 0.214 8 0 "[    .   ]" 1 
        862 1  40 GLU HB3 1  40 GLU HG3  2.336 .  3.018 2.488 2.366 2.540     . 0 0 "[    .   ]" 1 
        863 1  40 GLU HB3 1  41 LEU H    2.912 .  3.972 3.112 2.923 3.634     . 0 0 "[    .   ]" 1 
        864 1  40 GLU HB3 1  44 VAL QG   3.252 .  4.574 3.430 2.738 4.081     . 0 0 "[    .   ]" 1 
        865 1  40 GLU HG2 1  43 LYS QD   4.125 .  6.252 4.660 4.163 5.526     . 0 0 "[    .   ]" 1 
        866 1  40 GLU HG3 1  43 LYS QB   3.666 .  5.346 4.245 3.861 5.223     . 0 0 "[    .   ]" 1 
        867 1  40 GLU HG3 1  43 LYS QD   3.851 .  5.705 3.382 2.844 4.118     . 0 0 "[    .   ]" 1 
        868 1  41 LEU H   1  41 LEU HA   2.696 .  3.605 2.821 2.759 2.855     . 0 0 "[    .   ]" 1 
        869 1  41 LEU H   1  41 LEU HB2  2.636 .  3.504 2.385 2.252 2.529     . 0 0 "[    .   ]" 1 
        870 1  41 LEU H   1  41 LEU HB3  2.625 .  3.487 2.630 2.428 2.780     . 0 0 "[    .   ]" 1 
        871 1  41 LEU H   1  42 GLY H    3.641 .  5.298 2.662 2.446 2.920     . 0 0 "[    .   ]" 1 
        872 1  41 LEU HA  1  41 LEU HB2  2.603 .  3.450 2.522 2.411 2.605     . 0 0 "[    .   ]" 1 
        873 1  41 LEU HA  1  41 LEU HB3  2.696 .  3.605 2.987 2.973 3.006     . 0 0 "[    .   ]" 1 
        874 1  41 LEU HA  1  41 LEU QD   2.857 .  3.878 2.437 1.902 2.981     . 0 0 "[    .   ]" 1 
        875 1  41 LEU HA  1  41 LEU HG   2.583 .  3.417 2.894 2.200 3.730 0.313 5 0 "[    .   ]" 1 
        876 1  41 LEU HA  1  44 VAL H    3.088 .  4.280 3.579 3.285 4.247     . 0 0 "[    .   ]" 1 
        877 1  41 LEU HA  1  44 VAL QG   4.336 .  6.686 3.483 3.086 4.393     . 0 0 "[    .   ]" 1 
        878 1  41 LEU HA  1  44 VAL QG   2.939 .  4.019 3.237 3.013 3.569     . 0 0 "[    .   ]" 1 
        879 1  41 LEU HA  1 108 MET ME   3.611 .  5.241 4.577 3.777 5.563 0.322 1 0 "[    .   ]" 1 
        880 1  41 LEU HB2 1  41 LEU QD   2.094 .  2.642 2.142 2.011 2.240     . 0 0 "[    .   ]" 1 
        881 1  41 LEU HB2 1  41 LEU HG   2.190 .  2.790 2.734 2.415 3.009 0.219 7 0 "[    .   ]" 1 
        882 1  41 LEU HB2 1  42 GLY H    3.750 .  5.508 3.693 3.461 3.814     . 0 0 "[    .   ]" 1 
        883 1  41 LEU HB2 1  57 LEU MD2  2.819 .  3.813 3.709 3.357 4.025 0.212 6 0 "[    .   ]" 1 
        884 1  41 LEU HB3 1  41 LEU QD   2.284 .  2.700 2.208 2.056 2.414     . 0 0 "[    .   ]" 1 
        885 1  41 LEU HB3 1  42 GLY H    2.596 .  3.438 2.528 2.144 2.848     . 0 0 "[    .   ]" 1 
        886 1  41 LEU HB3 1  57 LEU HB3  2.763 .  3.717 2.455 2.271 2.610     . 0 0 "[    .   ]" 1 
        887 1  41 LEU HB3 1  57 LEU MD2  2.330 .  3.009 2.363 1.780 3.132 0.123 6 0 "[    .   ]" 1 
        888 1  41 LEU HB3 1  57 LEU MD2  1.958 .  2.437 1.912 1.695 2.045     . 0 0 "[    .   ]" 1 
        889 1  41 LEU HB3 1  61 ILE MD   2.733 .  3.666 3.053 2.712 3.681 0.015 1 0 "[    .   ]" 1 
        890 1  41 LEU QD  1  41 LEU HG   2.037 .  2.146 1.875 1.849 1.889     . 0 0 "[    .   ]" 1 
        891 1  41 LEU QD  1  45 MET HG2  4.798 .  7.676 2.366 1.894 3.128 0.026 2 0 "[    .   ]" 1 
        892 1  41 LEU QD  1  45 MET HG3  2.831 .  3.833 2.739 2.201 3.167     . 0 0 "[    .   ]" 1 
        893 1  41 LEU QD  1  52 PRO HG3  2.347 .  3.036 2.166 1.815 2.436     . 0 0 "[    .   ]" 1 
        894 1  41 LEU QD  1  57 LEU HA   2.622 .  3.481 2.673 2.268 2.919     . 0 0 "[    .   ]" 1 
        895 1  41 LEU QD  1  60 MET HB2  2.760 .  3.712 3.077 2.635 3.418     . 0 0 "[    .   ]" 1 
        896 1  41 LEU QD  1  60 MET HB2  2.352 .  3.043 2.538 2.350 2.881     . 0 0 "[    .   ]" 1 
        897 1  41 LEU QD  1  60 MET HB3  2.612 .  3.465 2.173 1.819 2.444     . 0 0 "[    .   ]" 1 
        898 1  41 LEU QD  1  61 ILE H    2.942 .  4.024 2.223 2.026 2.558     . 0 0 "[    .   ]" 1 
        899 1  41 LEU HG  1  44 VAL QG   4.060 .  6.120 3.855 3.164 4.097     . 0 0 "[    .   ]" 1 
        900 1  42 GLY H   1  42 GLY HA2  2.236 .  2.861 2.825 2.800 2.848     . 0 0 "[    .   ]" 1 
        901 1  42 GLY H   1  42 GLY HA3  2.529 .  3.329 2.321 2.305 2.337     . 0 0 "[    .   ]" 1 
        902 1  42 GLY H   1  43 LYS H    2.473 .  3.237 2.671 2.566 2.809     . 0 0 "[    .   ]" 1 
        903 1  42 GLY H   1  57 LEU MD1  3.075 .  4.257 2.237 1.948 2.596     . 0 0 "[    .   ]" 1 
        904 1  42 GLY H   1  57 LEU MD2  2.934 .  4.010 2.900 2.694 3.292     . 0 0 "[    .   ]" 1 
        905 1  42 GLY HA2 1  45 MET QB   2.753 .  3.701 2.154 1.917 2.413     . 0 0 "[    .   ]" 1 
        906 1  42 GLY HA2 1  45 MET HG3  4.622 .  7.292 2.870 2.335 3.531     . 0 0 "[    .   ]" 1 
        907 1  42 GLY HA2 1  46 ARG HB3  2.955 .  4.046 3.678 3.160 4.093 0.047 6 0 "[    .   ]" 1 
        908 1  42 GLY HA2 1  46 ARG QG   2.831 .  3.833 2.782 2.375 3.358     . 0 0 "[    .   ]" 1 
        909 1  42 GLY HA2 1  57 LEU MD1  2.126 .  2.691 2.609 2.421 2.813 0.122 5 0 "[    .   ]" 1 
        910 1  42 GLY HA2 1  57 LEU MD2  2.619 .  3.476 2.280 2.116 2.445     . 0 0 "[    .   ]" 1 
        911 1  42 GLY HA3 1  45 MET QB   3.326 .  4.709 3.657 3.435 3.737     . 0 0 "[    .   ]" 1 
        912 1  42 GLY HA3 1  45 MET HG2  3.378 .  4.805 4.977 4.240 5.376 0.571 8 1 "[    .  +]" 1 
        913 1  42 GLY HA3 1  45 MET HG3  3.377 .  4.803 4.538 4.034 5.230 0.427 5 0 "[    .   ]" 1 
        914 1  42 GLY HA3 1  46 ARG QG   3.799 .  5.603 3.872 3.298 4.342     . 0 0 "[    .   ]" 1 
        915 1  42 GLY HA3 1  52 PRO HB3  4.478 .  6.984 4.858 3.701 5.872     . 0 0 "[    .   ]" 1 
        916 1  42 GLY HA3 1  57 LEU MD1  2.483 .  3.254 2.156 2.069 2.331     . 0 0 "[    .   ]" 1 
        917 1  42 GLY HA3 1  57 LEU MD2  2.383 .  3.093 3.101 2.717 3.348 0.255 8 0 "[    .   ]" 1 
        918 1  43 LYS H   1  43 LYS HA   2.259 .  2.897 2.745 2.727 2.773     . 0 0 "[    .   ]" 1 
        919 1  43 LYS H   1  43 LYS QB   2.031 .  2.547 2.152 2.090 2.207     . 0 0 "[    .   ]" 1 
        920 1  43 LYS H   1  44 VAL H    2.566 .  3.389 2.888 2.771 2.972     . 0 0 "[    .   ]" 1 
        921 1  43 LYS HA  1  43 LYS HG3  2.330 .  3.009 3.144 2.997 3.496 0.487 1 0 "[    .   ]" 1 
        922 1  43 LYS HA  1  46 ARG QD       . .  3.800 2.604 2.089 3.132     . 0 0 "[    .   ]" 1 
        923 1  43 LYS QB  1  43 LYS HG2  2.154 .  2.734 2.448 2.327 2.479     . 0 0 "[    .   ]" 1 
        924 1  43 LYS QB  1  43 LYS HG3  2.028 .  2.542 2.229 2.194 2.348     . 0 0 "[    .   ]" 1 
        925 1  43 LYS QB  1  44 VAL H    2.494 .  3.271 2.604 2.436 3.260     . 0 0 "[    .   ]" 1 
        926 1  43 LYS QB  1  44 VAL QG   4.026 .  6.052 3.415 2.905 4.435     . 0 0 "[    .   ]" 1 
        927 1  43 LYS QD  1  43 LYS HG2  1.945 .  2.418 2.322 2.161 2.416     . 0 0 "[    .   ]" 1 
        928 1  43 LYS QD  1  43 LYS HG3  1.943 .  2.415 2.350 2.298 2.461 0.046 4 0 "[    .   ]" 1 
        929 1  43 LYS QD  1  44 VAL QG   3.048 .  4.209 2.773 2.358 4.008     . 0 0 "[    .   ]" 1 
        930 1  43 LYS QE  1  43 LYS HG3  2.580 .  3.412 2.654 2.315 2.954     . 0 0 "[    .   ]" 1 
        931 1  43 LYS QE  1  44 VAL QG   3.941 .  5.882 3.278 2.469 4.746     . 0 0 "[    .   ]" 1 
        932 1  43 LYS QE  1  47 MET ME   3.313 .  4.685 3.168 2.487 4.451     . 0 0 "[    .   ]" 1 
        933 1  43 LYS HG2 1  44 VAL QG   3.313 .  4.685 2.967 2.678 3.282     . 0 0 "[    .   ]" 1 
        934 1  43 LYS HG3 1  44 VAL QG   3.618 .  5.255 4.173 3.629 4.433     . 0 0 "[    .   ]" 1 
        935 1  44 VAL H   1  44 VAL HA   2.637 .  3.506 2.861 2.847 2.877     . 0 0 "[    .   ]" 1 
        936 1  44 VAL H   1  44 VAL HB   2.195 .  2.797 2.338 2.071 2.453     . 0 0 "[    .   ]" 1 
        937 1  44 VAL H   1  44 VAL QG   3.287 .  3.340 2.344 2.137 2.799     . 0 0 "[    .   ]" 1 
        938 1  44 VAL H   1  45 MET H    2.456 .  3.210 2.547 2.453 2.626     . 0 0 "[    .   ]" 1 
        939 1  44 VAL HA  1  44 VAL HB   2.502 .  3.285 2.942 2.536 3.027     . 0 0 "[    .   ]" 1 
        940 1  44 VAL HA  1  44 VAL QG   2.298 .  2.808 2.111 2.066 2.201     . 0 0 "[    .   ]" 1 
        941 1  44 VAL HA  1  45 MET H    4.248 .  6.503 3.544 3.499 3.572     . 0 0 "[    .   ]" 1 
        942 1  44 VAL HA  1  46 ARG H    4.252 .  6.512 3.439 3.254 3.733     . 0 0 "[    .   ]" 1 
        943 1  44 VAL HA  1  46 ARG QG   3.375 .  4.799 3.234 2.395 4.010     . 0 0 "[    .   ]" 1 
        944 1  44 VAL HA  1  47 MET H    3.143 .  4.378 3.220 2.915 3.633     . 0 0 "[    .   ]" 1 
        945 1  44 VAL HA  1  47 MET HB2  2.816 .  3.808 2.905 1.989 3.854 0.046 2 0 "[    .   ]" 1 
        946 1  44 VAL HA  1  47 MET HB3  2.698 .  3.608 2.862 2.058 3.769 0.161 7 0 "[    .   ]" 1 
        947 1  44 VAL HA  1  47 MET ME   2.717 .  3.640 2.379 1.804 3.537     . 0 0 "[    .   ]" 1 
        948 1  44 VAL HA  1  47 MET QG   3.088 .  4.280 2.737 2.204 3.145     . 0 0 "[    .   ]" 1 
        949 1  44 VAL HB  1  44 VAL QG   2.055 .  2.583 1.893 1.868 1.905     . 0 0 "[    .   ]" 1 
        950 1  44 VAL HB  1  45 MET H    2.561 .  3.381 2.856 2.573 3.917 0.536 1 1 "[+   .   ]" 1 
        951 1  44 VAL HB  1  48 LEU QD   2.788 .  3.760 3.321 2.901 3.691     . 0 0 "[    .   ]" 1 
        952 1  44 VAL QG  1  45 MET HA   2.784 .  3.753 3.201 2.982 3.473     . 0 0 "[    .   ]" 1 
        953 1  44 VAL QG  1  45 MET ME   2.950 .  4.038 3.187 2.450 4.035     . 0 0 "[    .   ]" 1 
        954 1  44 VAL QG  1  45 MET HG2  4.388 .  6.795 3.491 2.582 4.428     . 0 0 "[    .   ]" 1 
        955 1  44 VAL QG  1  47 MET HB3  3.176 .  4.437 3.003 2.438 3.676     . 0 0 "[    .   ]" 1 
        956 1  44 VAL QG  1  47 MET ME   2.543 .  3.351 2.074 1.683 2.943 0.160 5 0 "[    .   ]" 1 
        957 1  44 VAL QG  1  48 LEU HG   3.069 .  4.246 2.432 1.994 2.691     . 0 0 "[    .   ]" 1 
        958 1  44 VAL QG  1 103 ILE MD   3.503 .  5.037 3.285 2.317 3.854     . 0 0 "[    .   ]" 1 
        959 1  44 VAL QG  1 108 MET HA   3.064 .  4.238 3.376 2.909 3.916     . 0 0 "[    .   ]" 1 
        960 1  44 VAL QG  1 108 MET QB   2.642 .  3.515 2.453 1.784 2.909     . 0 0 "[    .   ]" 1 
        961 1  44 VAL QG  1 108 MET ME   2.880 .  3.917 2.840 1.786 3.345 0.057 7 0 "[    .   ]" 1 
        962 1  44 VAL QG  1 111 ALA MB   2.713 .  3.633 2.526 1.916 3.265     . 0 0 "[    .   ]" 1 
        963 1  44 VAL QG  1 112 LEU MD1  2.619 .  3.476 2.126 1.738 2.657 0.024 5 0 "[    .   ]" 1 
        964 1  45 MET H   1  45 MET HA   2.595 .  3.437 2.798 2.767 2.826     . 0 0 "[    .   ]" 1 
        965 1  45 MET H   1  45 MET QB   2.914 .  3.975 2.414 2.266 2.589     . 0 0 "[    .   ]" 1 
        966 1  45 MET H   1  46 ARG H    2.542 .  3.350 2.790 2.623 2.887     . 0 0 "[    .   ]" 1 
        967 1  45 MET HA  1  45 MET QB   2.317 .  2.988 2.390 2.348 2.425     . 0 0 "[    .   ]" 1 
        968 1  45 MET HA  1  45 MET ME   2.553 .  3.368 2.478 1.760 3.996 0.628 8 1 "[    .  +]" 1 
        969 1  45 MET HA  1  45 MET ME   2.277 .  2.925 2.228 1.732 3.027 0.102 8 0 "[    .   ]" 1 
        970 1  45 MET HA  1  45 MET HG2  2.669 .  3.560 2.829 2.574 3.475     . 0 0 "[    .   ]" 1 
        971 1  45 MET HA  1  45 MET HG3  2.786 .  3.757 3.719 3.609 3.810 0.053 1 0 "[    .   ]" 1 
        972 1  45 MET HA  1  46 ARG H    2.848 .  3.862 3.051 2.832 3.181     . 0 0 "[    .   ]" 1 
        973 1  45 MET HA  1  48 LEU H    2.598 .  3.442 2.941 2.859 3.015     . 0 0 "[    .   ]" 1 
        974 1  45 MET HA  1  48 LEU HG   2.935 .  4.012 3.769 3.230 4.141 0.129 3 0 "[    .   ]" 1 
        975 1  45 MET HA  1  48 LEU HB2  2.228 .  2.848 2.052 1.804 2.512     . 0 0 "[    .   ]" 1 
        976 1  45 MET HA  1  48 LEU HB3  3.300 .  4.661 3.043 2.580 3.180     . 0 0 "[    .   ]" 1 
        977 1  45 MET HA  1  48 LEU QD   2.298 .  2.958 2.504 2.118 3.005 0.047 2 0 "[    .   ]" 1 
        978 1  45 MET HA  1  50 GLN QG   3.378 .  4.805 4.149 3.279 4.734     . 0 0 "[    .   ]" 1 
        979 1  45 MET QB  1  45 MET HG2  2.314 .  2.984 2.404 2.230 2.498     . 0 0 "[    .   ]" 1 
        980 1  45 MET QB  1  45 MET HG3  2.413 .  3.141 2.138 2.113 2.152     . 0 0 "[    .   ]" 1 
        981 1  45 MET QB  1  48 LEU QD   4.232 .  6.470 3.179 2.864 3.301     . 0 0 "[    .   ]" 1 
        982 1  45 MET QB  1  50 GLN HB3  2.023 .  2.534 2.982 2.549 3.498 0.964 7 3 "[    .*+-]" 1 
        983 1  45 MET QB  1  51 ASN HA   3.272 .  4.610 3.615 3.073 4.180     . 0 0 "[    .   ]" 1 
        984 1  45 MET QB  1  52 PRO QD   2.605 .  3.384 1.974 1.798 2.108     . 0 0 "[    .   ]" 1 
        985 1  45 MET QB  1  52 PRO HG3  2.420 .  3.152 2.550 1.777 3.314 0.162 8 0 "[    .   ]" 1 
        986 1  45 MET QB  1  57 LEU MD2  3.311 .  4.681 3.068 2.781 3.331     . 0 0 "[    .   ]" 1 
        987 1  45 MET ME  1  45 MET HG2  2.457 .  3.212 2.432 2.217 3.126     . 0 0 "[    .   ]" 1 
        988 1  45 MET ME  1  45 MET HG3  2.444 .  3.191 2.990 2.418 3.384 0.193 7 0 "[    .   ]" 1 
        989 1  45 MET ME  1  45 MET HG3  2.355 .  3.048 2.541 1.830 3.085 0.037 2 0 "[    .   ]" 1 
        990 1  45 MET ME  1  48 LEU QD   2.050 .  2.575 1.905 1.650 2.105     . 0 0 "[    .   ]" 1 
        991 1  45 MET ME  1  48 LEU QD   1.639 .  1.975 2.012 1.790 2.468 0.493 8 0 "[    .   ]" 1 
        992 1  45 MET ME  1  50 GLN HA   4.762 .  7.597 6.172 5.063 7.039     . 0 0 "[    .   ]" 1 
        993 1  45 MET ME  1  52 PRO QD   3.218 .  4.512 4.360 3.779 4.991 0.479 2 0 "[    .   ]" 1 
        994 1  45 MET ME  1 101 VAL QG   2.363 .  3.061 1.948 1.515 2.661 0.150 8 0 "[    .   ]" 1 
        995 1  45 MET ME  1 102 ARG HA   4.771 .  7.616 4.575 3.008 5.853     . 0 0 "[    .   ]" 1 
        996 1  45 MET ME  1 103 ILE MD   2.300 .  2.961 2.515 1.740 3.100 0.139 1 0 "[    .   ]" 1 
        997 1  45 MET ME  1 103 ILE MG   2.743 .  3.684 3.685 3.252 4.027 0.343 6 0 "[    .   ]" 1 
        998 1  45 MET HG2 1  57 LEU MD1  2.657 .  3.539 3.315 2.634 3.881 0.342 1 0 "[    .   ]" 1 
        999 1  45 MET HG2 1  57 LEU MD2  2.779 .  3.745 3.202 3.046 3.408     . 0 0 "[    .   ]" 1 
       1000 1  45 MET HG3 1  48 LEU QD   2.787 .  3.758 3.580 3.302 3.932 0.174 2 0 "[    .   ]" 1 
       1001 1  45 MET HG3 1  52 PRO QD       . .  4.234 3.184 2.862 3.436     . 0 0 "[    .   ]" 1 
       1002 1  45 MET HG3 1  52 PRO HG2  4.869 .  7.832 2.864 1.893 3.670 0.013 8 0 "[    .   ]" 1 
       1003 1  45 MET HG3 1  57 LEU MD2  2.446 .  3.194 2.185 1.913 3.102     . 0 0 "[    .   ]" 1 
       1004 1  45 MET HG3 1  61 ILE MD   3.283 .  4.630 4.626 3.554 5.393 0.763 5 1 "[    +   ]" 1 
       1005 1  45 MET HG3 1 103 ILE MD   2.713 .  3.633 2.992 2.005 3.686 0.053 7 0 "[    .   ]" 1 
       1006 1  46 ARG H   1  46 ARG HA   2.428 .  3.165 2.767 2.727 2.811     . 0 0 "[    .   ]" 1 
       1007 1  46 ARG H   1  46 ARG HB3  1.855 .  2.285 2.113 1.656 2.547 0.262 1 0 "[    .   ]" 1 
       1008 1  46 ARG H   1  47 MET H    2.637 .  3.506 2.837 2.668 2.990     . 0 0 "[    .   ]" 1 
       1009 1  46 ARG H   1  47 MET H    2.235 .  2.859 2.372 2.266 2.420     . 0 0 "[    .   ]" 1 
       1010 1  46 ARG HA  1  46 ARG HB2  2.314 .  2.983 2.999 2.987 3.009 0.026 4 0 "[    .   ]" 1 
       1011 1  46 ARG HA  1  46 ARG HB3  2.313 .  2.981 2.484 2.355 2.619     . 0 0 "[    .   ]" 1 
       1012 1  46 ARG HA  1  46 ARG QD   3.193 .  4.468 4.045 3.970 4.136     . 0 0 "[    .   ]" 1 
       1013 1  46 ARG HA  1  46 ARG QD   3.269 .  4.604 3.904 3.757 4.036     . 0 0 "[    .   ]" 1 
       1014 1  46 ARG HA  1  46 ARG QG   2.526 .  3.223 2.405 2.313 2.577     . 0 0 "[    .   ]" 1 
       1015 1  46 ARG HA  1  49 GLY H    2.861 .  3.884 3.584 3.272 3.850     . 0 0 "[    .   ]" 1 
       1016 1  46 ARG HA  1  51 ASN HA   3.192 .  4.465 3.399 2.947 3.819     . 0 0 "[    .   ]" 1 
       1017 1  46 ARG HB2 1  46 ARG QD   2.948 .  4.034 2.399 2.235 2.688     . 0 0 "[    .   ]" 1 
       1018 1  46 ARG HB3 1  46 ARG QD   2.593 .  3.434 2.568 2.257 2.834     . 0 0 "[    .   ]" 1 
       1019 1  46 ARG HB3 1  47 MET H    2.396 .  3.114 3.258 3.202 3.303 0.189 4 0 "[    .   ]" 1 
       1020 1  46 ARG QD  1  46 ARG QG   2.129 .  2.695 2.040 1.981 2.090     . 0 0 "[    .   ]" 1 
       1021 1  46 ARG QD  1  46 ARG QG   1.892 .  2.339 1.937 1.862 2.038     . 0 0 "[    .   ]" 1 
       1022 1  46 ARG QD  1  51 ASN HA   3.794 .  5.593 4.546 4.197 4.935     . 0 0 "[    .   ]" 1 
       1023 1  46 ARG QG  1  51 ASN HA   2.681 .  3.580 2.676 2.356 3.002     . 0 0 "[    .   ]" 1 
       1024 1  46 ARG QG  1  51 ASN HA   2.656 .  3.538 2.645 2.344 2.945     . 0 0 "[    .   ]" 1 
       1025 1  46 ARG QG  1  51 ASN HB2  3.225 .  4.525 3.556 2.373 4.216     . 0 0 "[    .   ]" 1 
       1026 1  46 ARG QG  1  51 ASN HB2  3.663 .  5.340 3.520 2.373 4.136     . 0 0 "[    .   ]" 1 
       1027 1  46 ARG QG  1  51 ASN HB3  3.464 .  4.964 3.526 2.769 4.217     . 0 0 "[    .   ]" 1 
       1028 1  46 ARG QG  1  52 PRO QD   2.368 .  3.069 2.129 2.023 2.194     . 0 0 "[    .   ]" 1 
       1029 1  47 MET H   1  47 MET HA   2.593 .  3.434 2.750 2.717 2.775     . 0 0 "[    .   ]" 1 
       1030 1  47 MET H   1  47 MET HB2  2.320 .  2.993 2.631 2.029 3.126 0.133 2 0 "[    .   ]" 1 
       1031 1  47 MET H   1  47 MET HB3  2.739 .  3.677 2.770 1.971 3.589     . 0 0 "[    .   ]" 1 
       1032 1  47 MET H   1  48 LEU H    2.470 .  3.232 2.722 2.608 2.848     . 0 0 "[    .   ]" 1 
       1033 1  47 MET H   1  48 LEU H    2.179 .  2.773 2.230 2.120 2.368     . 0 0 "[    .   ]" 1 
       1034 1  47 MET HA  1  47 MET HB2  2.276 .  2.924 2.616 2.229 3.025 0.101 7 0 "[    .   ]" 1 
       1035 1  47 MET HA  1  47 MET HB3  2.218 .  2.833 2.720 2.446 2.934 0.101 4 0 "[    .   ]" 1 
       1036 1  47 MET HA  1  47 MET ME   4.344 .  6.703 4.381 4.073 4.487     . 0 0 "[    .   ]" 1 
       1037 1  47 MET HA  1  47 MET QG   2.602 .  3.448 2.548 2.086 2.999     . 0 0 "[    .   ]" 1 
       1038 1  47 MET HA  1  47 MET QG   2.745 .  3.687 2.543 2.085 2.986     . 0 0 "[    .   ]" 1 
       1039 1  47 MET HA  1  49 GLY H    2.226 .  2.845 2.369 2.317 2.394     . 0 0 "[    .   ]" 1 
       1040 1  47 MET HB2 1  47 MET QG   2.297 .  2.957 2.311 2.106 2.457     . 0 0 "[    .   ]" 1 
       1041 1  47 MET HB2 1  48 LEU H    3.220 .  4.516 3.672 2.834 4.348     . 0 0 "[    .   ]" 1 
       1042 1  47 MET HB3 1  47 MET QG   2.192 .  2.792 2.308 2.160 2.501     . 0 0 "[    .   ]" 1 
       1043 1  47 MET HB3 1  48 LEU HG   4.090 .  6.181 3.896 3.574 4.025     . 0 0 "[    .   ]" 1 
       1044 1  47 MET HB3 1 111 ALA MB   2.885 .  3.926 2.746 1.852 3.615     . 0 0 "[    .   ]" 1 
       1045 1  47 MET ME  1  47 MET QG   2.729 .  3.373 2.423 2.380 2.482     . 0 0 "[    .   ]" 1 
       1046 1  47 MET ME  1 112 LEU MD1  2.135 .  2.705 2.065 1.773 2.310     . 0 0 "[    .   ]" 1 
       1047 1  47 MET ME  1 111 ALA MB   2.331 .  3.010 2.570 2.174 2.918     . 0 0 "[    .   ]" 1 
       1048 1  47 MET ME  1 112 LEU HA   2.549 .  3.361 2.790 2.094 3.381 0.020 3 0 "[    .   ]" 1 
       1049 1  47 MET ME  1 112 LEU MD2  2.382 .  3.091 2.322 1.823 2.934     . 0 0 "[    .   ]" 1 
       1050 1  47 MET QG  1  48 LEU HB2  3.755 .  5.517 3.785 2.736 5.085     . 0 0 "[    .   ]" 1 
       1051 1  47 MET QG  1  48 LEU HG   3.034 .  4.184 4.112 2.814 5.485 1.301 6 4 "[*   .+-*]" 1 
       1052 1  47 MET QG  1 111 ALA MB   3.061 .  4.232 3.021 2.111 3.896     . 0 0 "[    .   ]" 1 
       1053 1  48 LEU H   1  48 LEU HA   2.590 .  3.429 2.878 2.830 2.902     . 0 0 "[    .   ]" 1 
       1054 1  48 LEU H   1  48 LEU HB2  2.016 .  2.524 2.009 1.900 2.085     . 0 0 "[    .   ]" 1 
       1055 1  48 LEU H   1  48 LEU QD   2.956 .  4.048 3.515 3.399 3.609     . 0 0 "[    .   ]" 1 
       1056 1  48 LEU H   1  49 GLY H    2.484 .  3.255 2.371 2.237 2.563     . 0 0 "[    .   ]" 1 
       1057 1  48 LEU H   1  50 GLN H    4.789 .  7.655 3.435 3.149 3.602     . 0 0 "[    .   ]" 1 
       1058 1  48 LEU HA  1  48 LEU HB2  2.305 .  2.969 2.861 2.727 2.918     . 0 0 "[    .   ]" 1 
       1059 1  48 LEU HA  1  48 LEU HB3  2.115 .  2.674 2.724 2.626 2.900 0.226 2 0 "[    .   ]" 1 
       1060 1  48 LEU HA  1  48 LEU QD   2.019 .  2.529 1.893 1.793 2.077     . 0 0 "[    .   ]" 1 
       1061 1  48 LEU HA  1  48 LEU QD   2.554 .  3.370 1.887 1.793 2.042     . 0 0 "[    .   ]" 1 
       1062 1  48 LEU HA  1  48 LEU HG   3.012 .  4.146 2.773 2.571 3.261     . 0 0 "[    .   ]" 1 
       1063 1  48 LEU HA  1  49 GLY H    2.914 .  3.975 3.290 3.199 3.363     . 0 0 "[    .   ]" 1 
       1064 1  48 LEU HA  1 111 ALA MB   3.198 .  4.476 3.216 2.663 3.589     . 0 0 "[    .   ]" 1 
       1065 1  48 LEU HB2 1  48 LEU QD   2.234 .  2.858 2.308 2.224 2.558     . 0 0 "[    .   ]" 1 
       1066 1  48 LEU HB2 1  49 GLY H    2.847 .  3.860 3.592 3.326 3.897 0.037 2 0 "[    .   ]" 1 
       1067 1  48 LEU HB2 1  50 GLN H    2.628 .  3.492 3.420 3.148 3.900 0.408 2 0 "[    .   ]" 1 
       1068 1  48 LEU HB3 1  48 LEU QD   2.048 .  2.572 2.117 2.012 2.139     . 0 0 "[    .   ]" 1 
       1069 1  48 LEU HB3 1  50 GLN QG   5.005 .  8.136 4.197 3.045 4.694     . 0 0 "[    .   ]" 1 
       1070 1  48 LEU QD  1  48 LEU HG   1.981 .  2.471 1.894 1.884 1.899     . 0 0 "[    .   ]" 1 
       1071 1  48 LEU QD  1 110 GLN QB   3.131 .  4.357 4.081 3.657 4.579 0.222 5 0 "[    .   ]" 1 
       1072 1  48 LEU QD  1 108 MET QB   2.899 .  3.950 2.110 1.927 2.701     . 0 0 "[    .   ]" 1 
       1073 1  48 LEU QD  1 108 MET H    3.754 .  5.516 2.990 2.754 3.338     . 0 0 "[    .   ]" 1 
       1074 1  48 LEU QD  1 108 MET QB   2.383 .  3.093 2.156 1.972 2.758     . 0 0 "[    .   ]" 1 
       1075 1  48 LEU QD  1 107 ALA MB   2.085 .  2.628 2.466 2.098 2.692 0.064 4 0 "[    .   ]" 1 
       1076 1  48 LEU QD  1 108 MET HA   2.368 .  3.069 2.099 1.688 2.751     . 0 0 "[    .   ]" 1 
       1077 1  48 LEU QD  1 108 MET QB   2.311 .  2.979 2.411 1.987 2.963     . 0 0 "[    .   ]" 1 
       1078 1  48 LEU QD  1 110 GLN QG   2.666 .  3.554 3.733 2.818 4.975 1.421 6 4 "[-   .+**]" 1 
       1079 1  48 LEU QD  1 111 ALA MB   2.201 .  2.806 2.094 1.909 2.332     . 0 0 "[    .   ]" 1 
       1080 1  49 GLY H   1  49 GLY HA3  2.152 .  2.731 2.926 2.892 2.945 0.214 5 0 "[    .   ]" 1 
       1081 1  49 GLY H   1  50 GLN H    2.410 .  3.136 2.478 2.301 2.598     . 0 0 "[    .   ]" 1 
       1082 1  49 GLY H   1  50 GLN H    2.392 .  3.107 2.284 2.190 2.369     . 0 0 "[    .   ]" 1 
       1083 1  49 GLY HA3 1  50 GLN H    4.763 .  7.598 3.161 3.063 3.269     . 0 0 "[    .   ]" 1 
       1084 1  50 GLN H   1  50 GLN HB2  2.146 .  2.722 2.422 2.276 2.533     . 0 0 "[    .   ]" 1 
       1085 1  50 GLN HA  1  50 GLN HB2  2.296 .  2.955 3.017 3.002 3.034 0.079 8 0 "[    .   ]" 1 
       1086 1  50 GLN HA  1  50 GLN HB3  2.481 .  3.250 2.486 2.413 2.594     . 0 0 "[    .   ]" 1 
       1087 1  50 GLN HA  1  50 GLN QG   2.036 .  2.554 2.494 2.337 2.744 0.190 1 0 "[    .   ]" 1 
       1088 1  50 GLN HA  1  51 ASN HA   3.381 .  4.810 4.584 4.540 4.613     . 0 0 "[    .   ]" 1 
       1089 1  50 GLN HA  1  52 PRO QD   3.902 .  5.715 3.861 3.716 3.943     . 0 0 "[    .   ]" 1 
       1090 1  50 GLN HB2 1  50 GLN QG   2.058 .  2.588 2.347 2.160 2.413     . 0 0 "[    .   ]" 1 
       1091 1  50 GLN HB2 1  52 PRO QD   2.770 .  3.729 2.444 2.134 2.817     . 0 0 "[    .   ]" 1 
       1092 1  50 GLN HB3 1  52 PRO QD   2.357 .  3.052 1.877 1.652 2.135 0.011 3 0 "[    .   ]" 1 
       1093 1  50 GLN QG  1  51 ASN HB2  4.784 .  7.645 6.960 6.200 7.298     . 0 0 "[    .   ]" 1 
       1094 1  50 GLN QG  1  52 PRO QD   2.796 .  3.773 3.332 3.042 3.774 0.001 7 0 "[    .   ]" 1 
       1095 1  50 GLN QG  1 100 ARG QD   2.529 .  3.328 3.225 2.232 4.976 1.648 1 1 "[+   .   ]" 1 
       1096 1  50 GLN QG  1 103 ILE HG12 3.803 .  5.611 3.974 3.211 5.488     . 0 0 "[    .   ]" 1 
       1097 1  51 ASN H   1  52 PRO HA   2.967 .  4.067 4.101 4.035 4.161 0.094 7 0 "[    .   ]" 1 
       1098 1  51 ASN HA  1  51 ASN HB2  2.368 .  3.069 2.462 2.440 2.491     . 0 0 "[    .   ]" 1 
       1099 1  51 ASN HA  1  51 ASN HB3  2.329 .  3.007 2.481 2.352 3.009 0.002 7 0 "[    .   ]" 1 
       1100 1  51 ASN HA  1  52 PRO QD   2.338 .  3.021 2.108 1.996 2.299     . 0 0 "[    .   ]" 1 
       1101 1  51 ASN HA  1  52 PRO HG2  3.590 .  5.201 4.243 4.070 4.669     . 0 0 "[    .   ]" 1 
       1102 1  51 ASN HA  1  52 PRO HG3  3.331 .  4.718 4.710 4.595 4.815 0.097 8 0 "[    .   ]" 1 
       1103 1  51 ASN HB2 1  52 PRO QD   3.466 .  4.804 4.167 4.044 4.237     . 0 0 "[    .   ]" 1 
       1104 1  51 ASN HB3 1  52 PRO QD   3.303 .  4.667 4.192 4.112 4.294     . 0 0 "[    .   ]" 1 
       1105 1  52 PRO HA  1  52 PRO HB2  2.305 .  2.969 2.744 2.680 2.958     . 0 0 "[    .   ]" 1 
       1106 1  52 PRO HA  1  52 PRO HB3  2.303 .  2.966 2.278 2.258 2.297     . 0 0 "[    .   ]" 1 
       1107 1  52 PRO HA  1  52 PRO QD   3.028 .  4.174 3.327 3.258 3.373     . 0 0 "[    .   ]" 1 
       1108 1  52 PRO HA  1  52 PRO HG2  3.269 .  4.605 3.832 3.767 3.972     . 0 0 "[    .   ]" 1 
       1109 1  52 PRO HA  1  53 THR H    2.100 .  2.651 2.308 2.176 2.455     . 0 0 "[    .   ]" 1 
       1110 1  52 PRO HA  1  53 THR MG   3.599 .  5.218 4.009 3.495 4.443     . 0 0 "[    .   ]" 1 
       1111 1  52 PRO HA  1  56 GLU HB2  4.172 .  6.347 3.986 3.409 4.495     . 0 0 "[    .   ]" 1 
       1112 1  52 PRO HA  1  57 LEU MD1  2.984 .  4.097 3.381 2.779 3.953     . 0 0 "[    .   ]" 1 
       1113 1  52 PRO HA  1  57 LEU MD2  3.495 .  5.022 4.606 4.374 4.859     . 0 0 "[    .   ]" 1 
       1114 1  52 PRO HA  1 101 VAL QG   3.552 .  5.000 3.493 2.805 4.242     . 0 0 "[    .   ]" 1 
       1115 1  52 PRO HB2 1  52 PRO QD   3.047 .  3.807 3.428 2.891 3.531     . 0 0 "[    .   ]" 1 
       1116 1  52 PRO HB2 1  52 PRO HG2  2.353 .  3.045 2.315 2.247 2.355     . 0 0 "[    .   ]" 1 
       1117 1  52 PRO HB2 1  52 PRO HG2  2.203 .  2.810 2.213 2.081 2.320     . 0 0 "[    .   ]" 1 
       1118 1  52 PRO HB2 1  52 PRO HG3  2.279 .  2.928 2.689 2.604 2.974 0.046 8 0 "[    .   ]" 1 
       1119 1  52 PRO HB2 1  57 LEU MD2  2.598 .  3.442 2.379 1.805 2.821     . 0 0 "[    .   ]" 1 
       1120 1  52 PRO HB2 1 101 VAL QG   2.762 .  3.085 2.600 2.252 2.798     . 0 0 "[    .   ]" 1 
       1121 1  52 PRO HB3 1  52 PRO QD   3.074 .  4.255 2.927 2.683 3.518     . 0 0 "[    .   ]" 1 
       1122 1  52 PRO HB3 1  57 LEU MD2  2.110 .  2.666 2.339 1.927 2.747 0.081 7 0 "[    .   ]" 1 
       1123 1  52 PRO HB3 1  53 THR H    2.815 .  3.806 3.408 2.581 3.818 0.012 1 0 "[    .   ]" 1 
       1124 1  52 PRO HB3 1  56 GLU QG   3.094 .  4.291 3.847 3.535 4.458 0.167 1 0 "[    .   ]" 1 
       1125 1  52 PRO HB3 1  57 LEU MD1  2.539 .  3.345 2.009 1.686 2.863 0.047 8 0 "[    .   ]" 1 
       1126 1  52 PRO HB3 1  57 LEU MD2  2.560 .  3.379 3.263 2.745 3.455 0.076 5 0 "[    .   ]" 1 
       1127 1  52 PRO QD  1  52 PRO HG2  2.407 .  3.105 2.214 2.165 2.251     . 0 0 "[    .   ]" 1 
       1128 1  52 PRO QD  1  52 PRO HG3  2.264 .  2.904 2.182 2.165 2.208     . 0 0 "[    .   ]" 1 
       1129 1  52 PRO QD  1  57 LEU MD2      . .  4.507 3.432 3.162 4.032     . 0 0 "[    .   ]" 1 
       1130 1  52 PRO QD  1 101 VAL QG   3.936 .  5.873 3.368 2.629 4.021     . 0 0 "[    .   ]" 1 
       1131 1  52 PRO HG2 1  57 LEU MD1  2.354 .  3.047 2.669 1.951 3.868 0.821 8 1 "[    .  +]" 1 
       1132 1  52 PRO HG2 1  57 LEU MD2  2.488 .  3.262 2.009 1.703 2.715 0.011 6 0 "[    .   ]" 1 
       1133 1  52 PRO HG3 1  57 LEU MD1  2.622 .  3.482 2.330 1.980 2.965     . 0 0 "[    .   ]" 1 
       1134 1  52 PRO HG3 1  57 LEU MD2  2.676 .  3.571 2.479 1.944 3.341     . 0 0 "[    .   ]" 1 
       1135 1  53 THR H   1  53 THR MG   2.405 .  3.128 2.900 2.580 3.226 0.098 2 0 "[    .   ]" 1 
       1136 1  53 THR H   1  56 GLU HB2  2.501 .  3.283 2.563 2.144 3.419 0.136 2 0 "[    .   ]" 1 
       1137 1  53 THR H   1  56 GLU HB2  4.654 .  7.361 2.062 1.902 2.265 0.045 7 0 "[    .   ]" 1 
       1138 1  53 THR HA  1  53 THR HB   2.050 .  2.575 2.587 2.522 2.660 0.085 2 0 "[    .   ]" 1 
       1139 1  53 THR HA  1  53 THR MG   2.170 .  2.759 2.219 2.135 2.310     . 0 0 "[    .   ]" 1 
       1140 1  53 THR HA  1  54 PRO QD   2.052 .  2.578 2.063 2.008 2.137     . 0 0 "[    .   ]" 1 
       1141 1  53 THR HA  1  54 PRO QG   3.161 .  4.410 3.939 3.882 4.024     . 0 0 "[    .   ]" 1 
       1142 1  53 THR HB  1  53 THR MG   2.146 .  2.722 2.125 2.109 2.141     . 0 0 "[    .   ]" 1 
       1143 1  53 THR HB  1  54 PRO HB3  2.532 .  3.333 3.378 3.246 3.428 0.095 3 0 "[    .   ]" 1 
       1144 1  53 THR HB  1  54 PRO QD   2.018 .  2.527 2.219 1.997 2.405     . 0 0 "[    .   ]" 1 
       1145 1  53 THR HB  1  54 PRO QG   3.172 .  4.430 3.816 3.165 4.189     . 0 0 "[    .   ]" 1 
       1146 1  53 THR HB  1  55 GLU H    2.473 .  3.237 2.370 2.111 2.626     . 0 0 "[    .   ]" 1 
       1147 1  53 THR HB  1  55 GLU HB3  2.598 .  3.442 3.380 3.258 3.466 0.024 6 0 "[    .   ]" 1 
       1148 1  53 THR MG  1  54 PRO HA   3.513 .  5.056 5.495 5.255 5.720 0.664 6 4 "[*   .+-*]" 1 
       1149 1  53 THR MG  1  54 PRO QD   2.421 .  3.153 2.565 2.226 2.879     . 0 0 "[    .   ]" 1 
       1150 1  54 PRO HA  1  54 PRO HB3  2.230 .  2.851 2.289 2.259 2.316     . 0 0 "[    .   ]" 1 
       1151 1  54 PRO HA  1  54 PRO QD   2.494 .  3.271 3.217 3.118 3.399 0.128 8 0 "[    .   ]" 1 
       1152 1  54 PRO HA  1  54 PRO QG   2.550 .  3.363 2.998 2.634 3.485 0.122 1 0 "[    .   ]" 1 
       1153 1  54 PRO HA  1  57 LEU HB2  3.122 .  4.340 2.160 1.885 2.353 0.019 7 0 "[    .   ]" 1 
       1154 1  54 PRO HA  1  57 LEU MD1  2.295 .  2.954 2.261 1.906 2.641     . 0 0 "[    .   ]" 1 
       1155 1  54 PRO HA  1  57 LEU MD1  2.037 .  2.556 1.907 1.758 2.231     . 0 0 "[    .   ]" 1 
       1156 1  54 PRO HA  1  57 LEU HG   2.689 .  3.593 3.578 3.175 3.791 0.198 2 0 "[    .   ]" 1 
       1157 1  54 PRO HB2 1  54 PRO QD   2.815 .  3.805 3.088 2.795 3.528     . 0 0 "[    .   ]" 1 
       1158 1  54 PRO HB2 1  54 PRO QG   2.183 .  2.697 2.216 2.164 2.244     . 0 0 "[    .   ]" 1 
       1159 1  54 PRO HB2 1  55 GLU H    2.886 .  3.927 2.790 2.437 3.339     . 0 0 "[    .   ]" 1 
       1160 1  54 PRO QD  1  54 PRO QG   2.224 .  2.842 1.960 1.954 1.970     . 0 0 "[    .   ]" 1 
       1161 1  54 PRO QG  1  55 GLU H    3.047 .  4.207 3.242 2.466 3.714     . 0 0 "[    .   ]" 1 
       1162 1  55 GLU H   1  55 GLU HA   2.304 .  2.967 2.788 2.731 2.840     . 0 0 "[    .   ]" 1 
       1163 1  55 GLU H   1  55 GLU HB2  2.156 .  2.737 2.290 2.194 2.412     . 0 0 "[    .   ]" 1 
       1164 1  55 GLU H   1  55 GLU HB3  2.129 .  2.696 2.693 2.624 2.778 0.082 7 0 "[    .   ]" 1 
       1165 1  55 GLU H   1  56 GLU H    2.679 .  3.576 2.772 2.624 2.961     . 0 0 "[    .   ]" 1 
       1166 1  55 GLU HA  1  55 GLU HB2  2.191 .  2.791 2.541 2.511 2.581     . 0 0 "[    .   ]" 1 
       1167 1  55 GLU HA  1  55 GLU HB3  2.224 .  2.842 2.985 2.967 2.997 0.155 4 0 "[    .   ]" 1 
       1168 1  55 GLU HA  1  55 GLU HG2  2.280 .  2.930 2.699 2.379 2.864     . 0 0 "[    .   ]" 1 
       1169 1  55 GLU HA  1  55 GLU HG3  2.300 .  2.961 2.621 2.472 2.966 0.005 2 0 "[    .   ]" 1 
       1170 1  55 GLU HA  1  58 GLN H    2.550 .  3.363 3.229 3.062 3.380 0.017 8 0 "[    .   ]" 1 
       1171 1  55 GLU HB2 1  55 GLU HG2  2.338 .  3.021 2.931 2.850 2.989     . 0 0 "[    .   ]" 1 
       1172 1  55 GLU HB2 1  55 GLU HG3  1.963 .  2.445 2.306 2.180 2.374     . 0 0 "[    .   ]" 1 
       1173 1  55 GLU HB3 1  55 GLU HG2  2.190 .  2.790 2.499 2.425 2.710     . 0 0 "[    .   ]" 1 
       1174 1  56 GLU H   1  56 GLU HB2  2.047 .  2.571 2.223 1.987 2.459     . 0 0 "[    .   ]" 1 
       1175 1  56 GLU H   1  56 GLU HB3  2.288 .  2.942 3.201 2.698 3.501 0.559 7 2 "[    .-+ ]" 1 
       1176 1  56 GLU H   1  57 LEU H    2.607 .  3.457 2.555 2.387 2.722     . 0 0 "[    .   ]" 1 
       1177 1  56 GLU HA  1  56 GLU HB2  2.092 .  2.639 2.849 2.548 3.015 0.376 6 0 "[    .   ]" 1 
       1178 1  56 GLU HA  1  56 GLU HB3  2.469 .  3.231 2.656 2.441 3.009     . 0 0 "[    .   ]" 1 
       1179 1  56 GLU HA  1  56 GLU QG   1.894 .  2.342 2.356 2.172 2.750 0.408 2 0 "[    .   ]" 1 
       1180 1  56 GLU HA  1  98 LEU QD   3.124 .  4.344 2.998 1.786 3.858 0.118 6 0 "[    .   ]" 1 
       1181 1  56 GLU HA  1 101 VAL QG   2.891 .  3.936 3.224 2.626 4.002 0.066 2 0 "[    .   ]" 1 
       1182 1  56 GLU HB2 1 101 VAL QG   2.787 .  3.758 2.136 1.614 2.652 0.202 2 0 "[    .   ]" 1 
       1183 1  56 GLU HB2 1  57 LEU H    2.933 .  4.009 2.919 2.346 3.728     . 0 0 "[    .   ]" 1 
       1184 1  56 GLU HB2 1 101 VAL QG   2.775 .  3.737 2.910 2.214 3.418     . 0 0 "[    .   ]" 1 
       1185 1  56 GLU HB3 1  56 GLU QG   2.347 .  2.633 2.250 2.122 2.350     . 0 0 "[    .   ]" 1 
       1186 1  56 GLU HB3 1 101 VAL QG   2.751 .  3.697 2.024 1.665 2.761 0.140 8 0 "[    .   ]" 1 
       1187 1  56 GLU QG  1  59 GLU QB   3.019 .  4.158 4.066 3.396 4.899 0.741 7 1 "[    . + ]" 1 
       1188 1  57 LEU H   1  57 LEU HA   2.613 .  3.466 2.817 2.779 2.853     . 0 0 "[    .   ]" 1 
       1189 1  57 LEU H   1  57 LEU HB2  2.069 .  2.604 2.340 2.290 2.440     . 0 0 "[    .   ]" 1 
       1190 1  57 LEU H   1  57 LEU MD1  3.824 .  5.652 3.364 3.203 3.525     . 0 0 "[    .   ]" 1 
       1191 1  57 LEU H   1  57 LEU MD2  3.122 .  4.340 3.410 3.193 3.622     . 0 0 "[    .   ]" 1 
       1192 1  57 LEU H   1  57 LEU HG   2.070 .  2.606 2.169 2.028 2.322     . 0 0 "[    .   ]" 1 
       1193 1  57 LEU H   1  58 GLN H    2.945 .  4.029 2.368 2.076 2.532     . 0 0 "[    .   ]" 1 
       1194 1  57 LEU HA  1  57 LEU HB2  2.716 .  3.638 3.007 3.000 3.013     . 0 0 "[    .   ]" 1 
       1195 1  57 LEU HA  1  57 LEU HB3  2.338 .  3.021 2.474 2.432 2.518     . 0 0 "[    .   ]" 1 
       1196 1  57 LEU HA  1  57 LEU MD1  2.252 .  2.886 2.776 2.419 3.089 0.203 5 0 "[    .   ]" 1 
       1197 1  57 LEU HA  1  57 LEU MD2  2.047 .  2.571 2.032 1.948 2.129     . 0 0 "[    .   ]" 1 
       1198 1  57 LEU HA  1  57 LEU HG   2.268 .  2.911 2.909 2.784 3.011 0.100 5 0 "[    .   ]" 1 
       1199 1  57 LEU HA  1  98 LEU QD   3.219 .  4.515 3.664 3.289 3.933     . 0 0 "[    .   ]" 1 
       1200 1  57 LEU HA  1  60 MET HB2  2.950 .  4.038 3.199 2.648 3.552     . 0 0 "[    .   ]" 1 
       1201 1  57 LEU HA  1  60 MET QG   3.029 .  4.176 3.547 3.313 3.632     . 0 0 "[    .   ]" 1 
       1202 1  57 LEU HB2 1  57 LEU MD1  2.286 .  2.939 2.307 2.234 2.437     . 0 0 "[    .   ]" 1 
       1203 1  57 LEU HB2 1  57 LEU MD2  2.663 .  3.550 3.170 3.146 3.189     . 0 0 "[    .   ]" 1 
       1204 1  57 LEU HB2 1  57 LEU HG   2.315 .  2.985 2.506 2.443 2.569     . 0 0 "[    .   ]" 1 
       1205 1  57 LEU HB3 1  57 LEU MD1  2.466 .  3.226 2.476 2.397 2.529     . 0 0 "[    .   ]" 1 
       1206 1  57 LEU HB3 1  57 LEU MD2  2.659 .  3.543 2.258 2.218 2.324     . 0 0 "[    .   ]" 1 
       1207 1  57 LEU MD1 1  57 LEU HG   1.819 .  2.233 2.113 2.105 2.119     . 0 0 "[    .   ]" 1 
       1208 1  57 LEU MD2 1  57 LEU HG   2.257 .  2.894 2.103 2.068 2.131     . 0 0 "[    .   ]" 1 
       1209 1  58 GLN H   1  58 GLN HA   2.596 .  3.439 2.825 2.790 2.871     . 0 0 "[    .   ]" 1 
       1210 1  58 GLN H   1  58 GLN QB   1.974 .  2.461 2.229 2.107 2.288     . 0 0 "[    .   ]" 1 
       1211 1  58 GLN HA  1  58 GLN QB   2.088 .  2.633 2.447 2.411 2.503     . 0 0 "[    .   ]" 1 
       1212 1  58 GLN HA  1  58 GLN HG2  2.637 .  3.506 2.603 2.143 2.863     . 0 0 "[    .   ]" 1 
       1213 1  58 GLN HA  1  58 GLN HG3  2.655 .  3.536 2.824 2.495 3.606 0.070 3 0 "[    .   ]" 1 
       1214 1  58 GLN HA  1  59 GLU H    3.768 .  5.542 3.493 3.431 3.567     . 0 0 "[    .   ]" 1 
       1215 1  58 GLN HA  1  61 ILE HB   2.367 .  3.068 2.293 2.085 2.578     . 0 0 "[    .   ]" 1 
       1216 1  58 GLN HA  1  61 ILE MD   2.530 .  3.330 3.073 2.616 3.380 0.050 3 0 "[    .   ]" 1 
       1217 1  58 GLN HA  1  61 ILE QG   4.836 .  5.681 2.704 2.121 4.053     . 0 0 "[    .   ]" 1 
       1218 1  58 GLN QB  1  58 GLN HG2  1.876 .  2.316 2.385 2.314 2.489 0.173 7 0 "[    .   ]" 1 
       1219 1  58 GLN QB  1  58 GLN HG3  1.739 .  2.117 1.908 1.871 1.935     . 0 0 "[    .   ]" 1 
       1220 1  58 GLN QB  1  61 ILE HB   5.023 .  8.177 4.252 4.013 4.468     . 0 0 "[    .   ]" 1 
       1221 1  58 GLN QB  1  61 ILE MD   3.513 .  5.055 4.358 4.019 4.705     . 0 0 "[    .   ]" 1 
       1222 1  58 GLN QB  1  61 ILE MG   3.055 .  4.221 3.043 2.243 3.599     . 0 0 "[    .   ]" 1 
       1223 1  59 GLU H   1  59 GLU HA   2.268 .  2.911 2.830 2.786 2.872     . 0 0 "[    .   ]" 1 
       1224 1  59 GLU H   1  59 GLU QG   2.387 .  3.099 2.004 1.615 2.546 0.060 7 0 "[    .   ]" 1 
       1225 1  59 GLU H   1  60 MET H    2.569 .  3.394 2.597 2.327 2.788     . 0 0 "[    .   ]" 1 
       1226 1  59 GLU HA  1  59 GLU QB   1.948 .  2.422 2.276 2.147 2.400     . 0 0 "[    .   ]" 1 
       1227 1  59 GLU HA  1  59 GLU QG   2.181 .  2.776 2.169 2.039 2.484     . 0 0 "[    .   ]" 1 
       1228 1  59 GLU HA  1  62 ASP H    4.761 .  7.595 3.262 2.963 3.706     . 0 0 "[    .   ]" 1 
       1229 1  59 GLU HA  1  62 ASP HB2  2.321 .  2.994 3.040 2.498 3.665 0.671 8 1 "[    .  +]" 1 
       1230 1  59 GLU QB  1  98 LEU QD   3.682 .  5.377 2.028 1.727 2.623 0.260 5 0 "[    .   ]" 1 
       1231 1  59 GLU QG  1  60 MET H    2.838 .  3.845 3.207 2.486 3.637     . 0 0 "[    .   ]" 1 
       1232 1  59 GLU QG  1 101 VAL QG   2.750 .  3.695 2.885 1.931 3.692     . 0 0 "[    .   ]" 1 
       1233 1  59 GLU QG  1 101 VAL QG   3.209 .  4.496 3.400 2.298 3.874     . 0 0 "[    .   ]" 1 
       1234 1  60 MET H   1  60 MET HA   2.647 .  3.523 2.825 2.784 2.857     . 0 0 "[    .   ]" 1 
       1235 1  60 MET H   1  60 MET HB2  2.264 .  2.905 2.316 1.998 2.584     . 0 0 "[    .   ]" 1 
       1236 1  60 MET H   1  60 MET HB3  2.626 .  3.488 2.850 2.548 3.326     . 0 0 "[    .   ]" 1 
       1237 1  60 MET H   1  61 ILE H    2.908 .  3.965 2.633 2.490 2.836     . 0 0 "[    .   ]" 1 
       1238 1  60 MET HA  1  60 MET HB2  2.185 .  2.782 2.624 2.429 2.927 0.145 8 0 "[    .   ]" 1 
       1239 1  60 MET HA  1  60 MET HB3  2.518 .  3.310 2.930 2.660 2.992     . 0 0 "[    .   ]" 1 
       1240 1  60 MET HA  1  60 MET HB3  2.179 .  2.772 2.851 2.632 2.927 0.155 3 0 "[    .   ]" 1 
       1241 1  60 MET HA  1  60 MET ME   2.923 .  3.991 3.874 3.495 4.101 0.110 1 0 "[    .   ]" 1 
       1242 1  60 MET HA  1  60 MET QG   2.537 .  2.814 2.559 2.173 3.018 0.204 3 0 "[    .   ]" 1 
       1243 1  60 MET HA  1  61 ILE MG   4.041 .  6.082 4.471 4.295 4.596     . 0 0 "[    .   ]" 1 
       1244 1  60 MET HA  1  63 GLU HB2  2.544 .  3.353 2.771 2.542 3.022     . 0 0 "[    .   ]" 1 
       1245 1  60 MET HA  1  63 GLU HB3  2.986 .  4.101 4.033 3.284 4.293 0.192 4 0 "[    .   ]" 1 
       1246 1  60 MET HA  1  64 VAL QG   2.661 .  3.546 2.954 1.911 3.961 0.415 6 0 "[    .   ]" 1 
       1247 1  60 MET HB2 1  60 MET QG   2.223 .  2.841 1.898 1.861 1.946     . 0 0 "[    .   ]" 1 
       1248 1  60 MET HB2 1  60 MET QG   2.034 .  2.551 2.056 1.979 2.177     . 0 0 "[    .   ]" 1 
       1249 1  60 MET HB3 1  60 MET QG       . .  2.737 2.233 2.118 2.365     . 0 0 "[    .   ]" 1 
       1250 1  60 MET HB3 1  60 MET QG   1.993 .  2.489 2.047 1.982 2.133     . 0 0 "[    .   ]" 1 
       1251 1  60 MET HB3 1  61 ILE H    2.299 .  2.959 2.274 2.063 2.494     . 0 0 "[    .   ]" 1 
       1252 1  60 MET HB3 1  61 ILE HA   2.563 .  3.384 2.943 2.905 2.961     . 0 0 "[    .   ]" 1 
       1253 1  60 MET ME  1  60 MET QG   2.606 .  2.941 2.223 2.146 2.300     . 0 0 "[    .   ]" 1 
       1254 1  60 MET ME  1  72 VAL QG   3.035 .  4.186 3.260 1.981 4.174     . 0 0 "[    .   ]" 1 
       1255 1  60 MET ME  1 102 ARG HA   2.958 .  4.051 2.861 2.095 3.481     . 0 0 "[    .   ]" 1 
       1256 1  60 MET ME  1 102 ARG QD   3.019 .  4.159 2.899 2.106 4.256 0.097 8 0 "[    .   ]" 1 
       1257 1  60 MET ME  1 103 ILE HA   3.223 .  4.522 3.885 3.658 4.168     . 0 0 "[    .   ]" 1 
       1258 1  60 MET ME  1 103 ILE MD   1.899 .  2.350 2.708 2.352 3.576 1.226 1 2 "[+   . - ]" 1 
       1259 1  60 MET ME  1 103 ILE HG12 3.051 .  4.215 3.348 2.105 4.162     . 0 0 "[    .   ]" 1 
       1260 1  60 MET ME  1 103 ILE HG13 2.976 .  4.083 2.646 2.106 3.434     . 0 0 "[    .   ]" 1 
       1261 1  60 MET QG  1  61 ILE HA   3.904 .  5.809 4.138 3.550 4.630     . 0 0 "[    .   ]" 1 
       1262 1  60 MET QG  1  61 ILE MD   4.051 .  6.103 4.724 3.770 5.573     . 0 0 "[    .   ]" 1 
       1263 1  60 MET QG  1  98 LEU QD   3.035 .  4.186 2.925 1.908 4.295 0.109 6 0 "[    .   ]" 1 
       1264 1  60 MET QG  1  64 VAL QG   3.180 .  4.444 3.840 3.574 4.208     . 0 0 "[    .   ]" 1 
       1265 1  60 MET QG  1  98 LEU QD   2.888 .  3.930 2.540 1.918 3.316     . 0 0 "[    .   ]" 1 
       1266 1  60 MET QG  1 101 VAL QG   3.834 .  5.042 3.270 2.320 3.835     . 0 0 "[    .   ]" 1 
       1267 1  61 ILE H   1  61 ILE MD   3.464 .  4.964 3.142 2.796 3.425     . 0 0 "[    .   ]" 1 
       1268 1  61 ILE H   1  61 ILE QG   2.879 .  3.915 2.293 2.058 2.778     . 0 0 "[    .   ]" 1 
       1269 1  61 ILE H   1  62 ASP H    2.641 .  3.513 2.728 2.609 2.826     . 0 0 "[    .   ]" 1 
       1270 1  61 ILE HA  1  61 ILE HB   2.711 .  3.630 3.011 2.972 3.028     . 0 0 "[    .   ]" 1 
       1271 1  61 ILE HA  1  61 ILE MD   2.755 .  3.704 2.793 1.888 3.768 0.064 7 0 "[    .   ]" 1 
       1272 1  61 ILE HA  1  61 ILE MD   2.166 .  2.752 2.192 1.828 2.678     . 0 0 "[    .   ]" 1 
       1273 1  61 ILE HA  1  61 ILE QG   2.616 .  3.472 2.646 2.239 3.052     . 0 0 "[    .   ]" 1 
       1274 1  61 ILE HA  1  61 ILE MG   2.477 .  3.244 2.484 2.398 2.742     . 0 0 "[    .   ]" 1 
       1275 1  61 ILE HA  1  62 ASP HA   4.991 .  8.104 4.830 4.760 4.946     . 0 0 "[    .   ]" 1 
       1276 1  61 ILE HA  1  64 VAL HB   3.527 .  5.082 3.940 3.725 4.081     . 0 0 "[    .   ]" 1 
       1277 1  61 ILE HA  1  64 VAL QG   2.685 .  3.586 3.076 2.895 3.309     . 0 0 "[    .   ]" 1 
       1278 1  61 ILE HA  1  72 VAL HB   3.289 .  4.642 3.643 3.324 3.857     . 0 0 "[    .   ]" 1 
       1279 1  61 ILE HA  1  72 VAL QG   2.633 .  3.499 2.261 2.134 2.616     . 0 0 "[    .   ]" 1 
       1280 1  61 ILE HB  1  61 ILE QG   2.482 .  2.765 2.225 2.144 2.393     . 0 0 "[    .   ]" 1 
       1281 1  61 ILE HB  1  61 ILE MG   1.951 .  2.427 2.119 2.106 2.125     . 0 0 "[    .   ]" 1 
       1282 1  61 ILE HB  1  62 ASP H    2.400 .  3.120 2.357 2.162 2.660     . 0 0 "[    .   ]" 1 
       1283 1  61 ILE MD  1  61 ILE QG   2.201 .  2.807 1.876 1.870 1.879     . 0 0 "[    .   ]" 1 
       1284 1  61 ILE MD  1  71 THR HA   2.441 .  3.186 2.414 2.237 2.650     . 0 0 "[    .   ]" 1 
       1285 1  61 ILE MD  1  71 THR HB   3.419 .  4.880 4.258 4.097 4.433     . 0 0 "[    .   ]" 1 
       1286 1  61 ILE MD  1  71 THR HA   2.727 .  3.657 2.881 2.436 3.222     . 0 0 "[    .   ]" 1 
       1287 1  61 ILE MD  1  72 VAL HB   2.891 .  3.936 3.238 2.844 3.798     . 0 0 "[    .   ]" 1 
       1288 1  61 ILE QG  1  61 ILE MG   2.620 .  3.478 2.335 2.175 2.600     . 0 0 "[    .   ]" 1 
       1289 1  61 ILE MG  1  62 ASP H    3.153 .  4.396 3.094 2.652 3.273     . 0 0 "[    .   ]" 1 
       1290 1  61 ILE MG  1  62 ASP HA   2.611 .  3.463 3.153 2.821 3.309     . 0 0 "[    .   ]" 1 
       1291 1  61 ILE MG  1  65 ASP HA   3.258 .  4.585 4.151 3.921 4.315     . 0 0 "[    .   ]" 1 
       1292 1  61 ILE MG  1  65 ASP HB2  2.593 .  3.433 2.095 1.900 2.218     . 0 0 "[    .   ]" 1 
       1293 1  61 ILE MG  1  65 ASP HB3  2.569 .  3.394 3.080 2.841 3.387     . 0 0 "[    .   ]" 1 
       1294 1  61 ILE MG  1  70 GLY HA2  3.218 .  4.512 2.596 2.022 2.963     . 0 0 "[    .   ]" 1 
       1295 1  61 ILE MG  1  70 GLY HA3  2.940 .  4.021 3.751 3.389 4.037 0.016 2 0 "[    .   ]" 1 
       1296 1  61 ILE MG  1  71 THR H    4.782 .  7.640 2.926 2.720 3.333     . 0 0 "[    .   ]" 1 
       1297 1  61 ILE MG  1  71 THR HA   2.751 .  3.697 2.629 2.431 2.852     . 0 0 "[    .   ]" 1 
       1298 1  62 ASP H   1  62 ASP HA   2.700 .  3.611 2.777 2.737 2.809     . 0 0 "[    .   ]" 1 
       1299 1  62 ASP H   1  62 ASP HB3  2.359 .  3.055 2.669 2.586 2.736     . 0 0 "[    .   ]" 1 
       1300 1  62 ASP H   1  63 GLU H    2.620 .  3.478 2.680 2.573 2.775     . 0 0 "[    .   ]" 1 
       1301 1  62 ASP HA  1  62 ASP HB2  2.104 .  2.657 2.514 2.472 2.554     . 0 0 "[    .   ]" 1 
       1302 1  62 ASP HA  1  63 GLU H    3.331 .  4.718 3.465 3.417 3.525     . 0 0 "[    .   ]" 1 
       1303 1  62 ASP HA  1  64 VAL QG   4.815 .  7.713 4.756 4.634 4.808     . 0 0 "[    .   ]" 1 
       1304 1  62 ASP HA  1  65 ASP HB2  2.360 .  3.056 2.943 2.731 3.225 0.169 2 0 "[    .   ]" 1 
       1305 1  62 ASP HA  1  65 ASP HB3  2.042 .  2.563 1.929 1.718 2.284     . 0 0 "[    .   ]" 1 
       1306 1  62 ASP HB3 1  63 GLU H    2.624 .  3.485 2.691 2.376 2.973     . 0 0 "[    .   ]" 1 
       1307 1  63 GLU H   1  63 GLU HA   2.388 .  3.101 2.722 2.696 2.789     . 0 0 "[    .   ]" 1 
       1308 1  63 GLU H   1  63 GLU HB3  2.474 .  3.239 3.330 2.630 3.568 0.329 5 0 "[    .   ]" 1 
       1309 1  63 GLU H   1  64 VAL H    2.557 .  3.374 2.817 2.606 2.919     . 0 0 "[    .   ]" 1 
       1310 1  63 GLU H   1  64 VAL H    2.419 .  3.151 1.919 1.740 2.045     . 0 0 "[    .   ]" 1 
       1311 1  63 GLU HA  1  63 GLU HB2  2.317 .  2.988 2.857 2.451 2.978     . 0 0 "[    .   ]" 1 
       1312 1  63 GLU HA  1  63 GLU HB3  2.103 .  2.656 2.730 2.587 2.977 0.321 2 0 "[    .   ]" 1 
       1313 1  63 GLU HA  1  63 GLU QG   1.973 .  2.460 2.359 2.089 2.814 0.354 5 0 "[    .   ]" 1 
       1314 1  63 GLU HB2 1  64 VAL QG   2.520 .  3.314 2.903 2.436 3.451 0.137 2 0 "[    .   ]" 1 
       1315 1  63 GLU HB2 1  64 VAL QG   2.480 .  3.249 2.311 2.084 2.667     . 0 0 "[    .   ]" 1 
       1316 1  63 GLU HB3 1  63 GLU QG   2.446 .  2.847 2.329 2.129 2.403     . 0 0 "[    .   ]" 1 
       1317 1  63 GLU HB3 1  64 VAL QG   3.361 .  4.773 2.369 1.974 2.733     . 0 0 "[    .   ]" 1 
       1318 1  63 GLU HB3 1  83 ARG QD   5.020 .  8.170 3.721 3.255 4.249     . 0 0 "[    .   ]" 1 
       1319 1  63 GLU QG  1  64 VAL QG   2.835 .  3.840 3.719 2.302 4.217 0.377 8 0 "[    .   ]" 1 
       1320 1  63 GLU QG  1  79 VAL QG   3.435 .  4.910 4.026 3.562 4.450     . 0 0 "[    .   ]" 1 
       1321 1  64 VAL H   1  64 VAL QG   2.809 .  3.796 1.983 1.913 2.126     . 0 0 "[    .   ]" 1 
       1322 1  64 VAL H   1  65 ASP H    2.320 .  2.993 1.957 1.756 2.111     . 0 0 "[    .   ]" 1 
       1323 1  64 VAL HA  1  64 VAL HB   2.274 .  2.920 2.642 2.497 2.894     . 0 0 "[    .   ]" 1 
       1324 1  64 VAL HA  1  64 VAL QG   2.451 .  2.897 2.032 1.821 2.217     . 0 0 "[    .   ]" 1 
       1325 1  64 VAL HA  1  79 VAL QG   3.348 .  4.749 2.992 2.656 3.203     . 0 0 "[    .   ]" 1 
       1326 1  64 VAL HB  1  64 VAL QG   2.127 .  2.662 1.891 1.872 1.904     . 0 0 "[    .   ]" 1 
       1327 1  64 VAL HB  1  64 VAL QG   2.052 .  2.578 1.829 1.600 1.889     . 0 0 "[    .   ]" 1 
       1328 1  64 VAL HB  1  72 VAL QG   2.503 .  3.286 2.823 1.737 3.540 0.254 6 0 "[    .   ]" 1 
       1329 1  64 VAL HB  1  72 VAL QG   2.664 .  3.551 2.725 1.735 3.326 0.042 3 0 "[    .   ]" 1 
       1330 1  64 VAL HB  1  81 MET HA   4.989 .  8.100 7.918 7.759 8.237 0.137 3 0 "[    .   ]" 1 
       1331 1  64 VAL HB  1  76 GLU HA   2.207 .  2.816 2.521 2.198 3.203 0.387 2 0 "[    .   ]" 1 
       1332 1  64 VAL HB  1  79 VAL QG   2.751 .  3.697 3.215 2.467 3.875 0.178 3 0 "[    .   ]" 1 
       1333 1  64 VAL QG  1  65 ASP HB3  3.249 .  4.569 3.658 3.454 3.884     . 0 0 "[    .   ]" 1 
       1334 1  64 VAL QG  1  72 VAL HA   3.495 .  5.022 4.183 3.910 4.395     . 0 0 "[    .   ]" 1 
       1335 1  64 VAL QG  1  76 GLU HG2  3.720 .  5.450 3.349 2.650 3.886     . 0 0 "[    .   ]" 1 
       1336 1  64 VAL QG  1  77 PHE HA   4.042 .  6.084 2.251 2.104 2.366     . 0 0 "[    .   ]" 1 
       1337 1  64 VAL QG  1  76 GLU HA   2.875 .  3.908 3.470 2.791 3.755     . 0 0 "[    .   ]" 1 
       1338 1  64 VAL QG  1  76 GLU HG2  3.524 .  5.077 4.379 3.884 5.281 0.204 2 0 "[    .   ]" 1 
       1339 1  64 VAL QG  1  77 PHE HB2  3.738 .  5.484 4.408 4.188 4.840     . 0 0 "[    .   ]" 1 
       1340 1  64 VAL QG  1  83 ARG QD   2.135 .  2.705 1.747 1.622 2.119     . 0 0 "[    .   ]" 1 
       1341 1  64 VAL QG  1  80 MET H    3.072 .  4.252 2.155 2.030 2.265     . 0 0 "[    .   ]" 1 
       1342 1  64 VAL QG  1  80 MET HA   2.650 .  3.071 2.021 1.853 2.312     . 0 0 "[    .   ]" 1 
       1343 1  64 VAL QG  1  80 MET HB2  2.254 .  2.889 1.563 1.477 1.617 0.144 3 0 "[    .   ]" 1 
       1344 1  64 VAL QG  1  80 MET HB3  2.474 .  3.239 2.678 2.485 2.768     . 0 0 "[    .   ]" 1 
       1345 1  64 VAL QG  1  80 MET HG3  2.468 .  3.230 2.489 2.141 2.966     . 0 0 "[    .   ]" 1 
       1346 1  64 VAL QG  1  83 ARG QD   2.377 .  3.084 2.055 1.876 2.352 0.070 8 0 "[    .   ]" 1 
       1347 1  65 ASP H   1  65 ASP HB2  2.446 .  3.194 2.471 2.321 2.740     . 0 0 "[    .   ]" 1 
       1348 1  65 ASP H   1  65 ASP HB3  2.705 .  3.619 2.593 2.421 2.741     . 0 0 "[    .   ]" 1 
       1349 1  65 ASP HA  1  65 ASP HB2  2.409 .  3.135 2.518 2.412 2.578     . 0 0 "[    .   ]" 1 
       1350 1  65 ASP HA  1  65 ASP HB3  2.584 .  3.419 3.024 3.012 3.034     . 0 0 "[    .   ]" 1 
       1351 1  65 ASP HA  1  66 GLU H    2.172 .  2.762 2.191 2.127 2.305     . 0 0 "[    .   ]" 1 
       1352 1  65 ASP HA  1  72 VAL QG   3.383 .  4.813 2.841 2.424 3.069     . 0 0 "[    .   ]" 1 
       1353 1  65 ASP HB2 1  66 GLU H    2.944 .  4.027 3.280 2.751 3.811     . 0 0 "[    .   ]" 1 
       1354 1  65 ASP HB2 1  72 VAL QG   3.107 .  4.314 2.496 2.139 2.863     . 0 0 "[    .   ]" 1 
       1355 1  66 GLU H   1  66 GLU HA   2.619 .  3.476 2.863 2.804 2.902     . 0 0 "[    .   ]" 1 
       1356 1  66 GLU H   1  66 GLU HG2  3.089 .  4.282 3.877 3.516 4.460 0.178 3 0 "[    .   ]" 1 
       1357 1  66 GLU H   1  67 ASP H    2.341 .  3.026 2.464 2.259 2.680     . 0 0 "[    .   ]" 1 
       1358 1  66 GLU HA  1  66 GLU HB2  2.432 .  3.171 2.867 2.491 3.005     . 0 0 "[    .   ]" 1 
       1359 1  66 GLU HA  1  66 GLU HB3  2.233 .  2.856 2.637 2.485 2.997 0.141 4 0 "[    .   ]" 1 
       1360 1  66 GLU HA  1  66 GLU HG2  2.685 .  3.586 2.534 2.290 2.985     . 0 0 "[    .   ]" 1 
       1361 1  66 GLU HA  1  66 GLU HG3  2.264 .  2.905 2.831 2.389 3.002 0.097 8 0 "[    .   ]" 1 
       1362 1  66 GLU HA  1  67 ASP H    3.633 .  5.283 3.482 3.415 3.533     . 0 0 "[    .   ]" 1 
       1363 1  66 GLU HB2 1  66 GLU HG3  2.123 .  2.686 2.392 2.333 2.431     . 0 0 "[    .   ]" 1 
       1364 1  66 GLU HB2 1  67 ASP H    2.832 .  3.834 3.249 2.814 3.905 0.071 3 0 "[    .   ]" 1 
       1365 1  66 GLU HB2 1  76 GLU HG2  4.201 .  6.407 3.931 3.104 5.305     . 0 0 "[    .   ]" 1 
       1366 1  67 ASP H   1  67 ASP HA   2.516 .  3.307 2.925 2.885 2.955     . 0 0 "[    .   ]" 1 
       1367 1  67 ASP H   1  67 ASP HB2  2.649 .  3.526 2.667 2.320 2.941     . 0 0 "[    .   ]" 1 
       1368 1  67 ASP H   1  67 ASP HB3  2.871 .  3.902 2.827 2.490 3.580     . 0 0 "[    .   ]" 1 
       1369 1  67 ASP H   1  68 GLY H    2.304 .  2.968 2.225 2.011 2.446     . 0 0 "[    .   ]" 1 
       1370 1  67 ASP HA  1  67 ASP HB2  2.392 .  3.107 2.610 2.460 2.996     . 0 0 "[    .   ]" 1 
       1371 1  67 ASP HA  1  67 ASP HB3  2.437 .  3.179 2.926 2.593 3.030     . 0 0 "[    .   ]" 1 
       1372 1  67 ASP HA  1  68 GLY H    2.863 .  3.887 3.345 3.329 3.356     . 0 0 "[    .   ]" 1 
       1373 1  68 GLY H   1  69 SER H    2.339 .  3.023 2.474 2.379 2.536     . 0 0 "[    .   ]" 1 
       1374 1  69 SER H   1  69 SER HA   2.223 .  2.841 2.540 2.280 2.769     . 0 0 "[    .   ]" 1 
       1375 1  69 SER H   1  70 GLY H    2.364 .  3.062 2.538 2.423 2.666     . 0 0 "[    .   ]" 1 
       1376 1  69 SER HA  1  70 GLY H    2.376 .  3.082 3.001 2.549 3.198 0.116 1 0 "[    .   ]" 1 
       1377 1  69 SER HA  1  71 THR H    3.013 .  4.148 3.024 2.942 3.081     . 0 0 "[    .   ]" 1 
       1378 1  70 GLY H   1  70 GLY HA3  2.278 .  2.927 2.910 2.867 2.955 0.028 5 0 "[    .   ]" 1 
       1379 1  70 GLY H   1  71 THR H    2.343 .  3.029 2.231 1.964 2.506     . 0 0 "[    .   ]" 1 
       1380 1  70 GLY HA2 1  71 THR MG   3.246 .  4.563 4.635 4.528 4.692 0.129 5 0 "[    .   ]" 1 
       1381 1  70 GLY HA3 1  71 THR H    3.496 .  5.024 3.378 3.329 3.432     . 0 0 "[    .   ]" 1 
       1382 1  70 GLY HA3 1  71 THR MG   5.012 .  8.152 3.992 3.812 4.113     . 0 0 "[    .   ]" 1 
       1383 1  71 THR H   1  71 THR MG   3.762 .  5.531 3.563 3.461 3.644     . 0 0 "[    .   ]" 1 
       1384 1  71 THR HA  1  71 THR HB   2.079 .  2.619 2.649 2.607 2.683 0.064 5 0 "[    .   ]" 1 
       1385 1  71 THR HA  1  71 THR MG   2.146 .  2.722 2.201 2.173 2.243     . 0 0 "[    .   ]" 1 
       1386 1  71 THR HA  1  72 VAL H    2.218 .  2.833 2.116 2.052 2.153     . 0 0 "[    .   ]" 1 
       1387 1  71 THR HA  1  72 VAL HB   3.016 .  4.153 4.188 4.003 4.312 0.159 3 0 "[    .   ]" 1 
       1388 1  71 THR HA  1  72 VAL QG   3.291 .  4.645 3.978 3.820 4.280     . 0 0 "[    .   ]" 1 
       1389 1  71 THR HB  1  71 THR MG   2.009 .  2.513 2.126 2.118 2.138     . 0 0 "[    .   ]" 1 
       1390 1  71 THR HB  1  72 VAL H    2.657 .  3.539 3.180 3.071 3.262     . 0 0 "[    .   ]" 1 
       1391 1  71 THR MG  1  73 ASP HB3  4.392 .  6.803 6.622 5.890 7.259 0.456 7 0 "[    .   ]" 1 
       1392 1  72 VAL H   1  72 VAL HB   2.544 .  3.353 2.288 2.247 2.339     . 0 0 "[    .   ]" 1 
       1393 1  72 VAL H   1  72 VAL QG   2.743 .  3.683 2.859 2.735 2.992     . 0 0 "[    .   ]" 1 
       1394 1  72 VAL HA  1  72 VAL HB   2.938 .  4.017 2.966 2.882 3.011     . 0 0 "[    .   ]" 1 
       1395 1  72 VAL HA  1  72 VAL QG   2.413 .  2.808 2.052 1.928 2.103     . 0 0 "[    .   ]" 1 
       1396 1  72 VAL HA  1  73 ASP H    2.047 .  2.571 2.123 2.102 2.169     . 0 0 "[    .   ]" 1 
       1397 1  72 VAL HA  1  76 GLU QB   2.844 .  3.855 2.853 2.706 2.968     . 0 0 "[    .   ]" 1 
       1398 1  72 VAL HB  1  72 VAL QG   2.207 .  2.412 1.891 1.881 1.896     . 0 0 "[    .   ]" 1 
       1399 1  72 VAL QG  1  73 ASP H    3.221 .  4.518 2.868 2.763 2.968     . 0 0 "[    .   ]" 1 
       1400 1  72 VAL QG  1  73 ASP HA   3.477 .  4.988 3.494 3.362 3.579     . 0 0 "[    .   ]" 1 
       1401 1  72 VAL QG  1  74 PHE HA   3.361 .  4.773 4.331 4.201 4.428     . 0 0 "[    .   ]" 1 
       1402 1  72 VAL QG  1  76 GLU QB   2.266 .  2.908 1.870 1.744 2.008     . 0 0 "[    .   ]" 1 
       1403 1  72 VAL QG  1  76 GLU HG2  3.041 .  4.197 3.515 2.675 4.144     . 0 0 "[    .   ]" 1 
       1404 1  72 VAL QG  1  76 GLU HG3  3.173 .  4.431 3.896 3.279 4.110     . 0 0 "[    .   ]" 1 
       1405 1  72 VAL QG  1  77 PHE H    2.840 .  3.848 2.368 2.247 2.526     . 0 0 "[    .   ]" 1 
       1406 1  72 VAL QG  1  77 PHE HA   2.424 .  3.158 2.365 2.182 2.509     . 0 0 "[    .   ]" 1 
       1407 1  72 VAL QG  1  77 PHE HB2  2.476 .  3.243 2.025 1.855 2.188 0.124 4 0 "[    .   ]" 1 
       1408 1  72 VAL QG  1  77 PHE HB3  2.567 .  3.390 3.227 2.952 3.474 0.084 3 0 "[    .   ]" 1 
       1409 1  72 VAL QG  1  80 MET ME   2.600 .  3.445 2.564 2.358 2.813     . 0 0 "[    .   ]" 1 
       1410 1  73 ASP H   1  76 GLU QB   2.673 .  3.566 2.395 2.332 2.568     . 0 0 "[    .   ]" 1 
       1411 1  73 ASP HA  1  73 ASP HB2  2.245 .  2.875 2.418 2.316 2.491     . 0 0 "[    .   ]" 1 
       1412 1  73 ASP HA  1  73 ASP HB3  2.286 .  2.939 2.835 2.524 3.016 0.077 6 0 "[    .   ]" 1 
       1413 1  73 ASP HA  1  74 PHE H    2.608 .  3.458 2.763 2.636 2.893     . 0 0 "[    .   ]" 1 
       1414 1  73 ASP HB2 1  76 GLU HG2  4.973 .  8.065 4.643 3.603 5.345     . 0 0 "[    .   ]" 1 
       1415 1  73 ASP HB2 1  76 GLU HG3  4.992 .  8.107 3.868 3.255 5.052     . 0 0 "[    .   ]" 1 
       1416 1  74 PHE H   1  74 PHE HB2  2.440 .  3.184 2.599 2.541 2.639     . 0 0 "[    .   ]" 1 
       1417 1  74 PHE H   1  74 PHE HB3  2.260 .  2.898 2.482 2.382 2.546     . 0 0 "[    .   ]" 1 
       1418 1  74 PHE H   1  74 PHE QD   4.794 .  7.667 4.192 4.162 4.206     . 0 0 "[    .   ]" 1 
       1419 1  74 PHE H   1  75 ASP H    2.695 .  3.603 2.985 2.863 3.199     . 0 0 "[    .   ]" 1 
       1420 1  74 PHE HA  1  74 PHE HB2  2.539 .  3.345 2.390 2.359 2.421     . 0 0 "[    .   ]" 1 
       1421 1  74 PHE HA  1  74 PHE HB3  2.483 .  3.254 3.010 3.005 3.016     . 0 0 "[    .   ]" 1 
       1422 1  74 PHE HA  1  74 PHE QD   2.010 .  2.515 2.174 2.098 2.270     . 0 0 "[    .   ]" 1 
       1423 1  74 PHE HA  1  75 ASP H    3.290 .  4.643 3.582 3.562 3.602     . 0 0 "[    .   ]" 1 
       1424 1  74 PHE HA  1  75 ASP HA   3.368 .  4.786 4.393 4.309 4.448     . 0 0 "[    .   ]" 1 
       1425 1  74 PHE HA  1  77 PHE QD   4.164 .  6.332 3.693 3.490 3.956     . 0 0 "[    .   ]" 1 
       1426 1  74 PHE HB2 1  74 PHE QD   2.138 .  2.709 2.740 2.718 2.762 0.053 6 0 "[    .   ]" 1 
       1427 1  74 PHE HB3 1  74 PHE QD   2.340 .  3.024 2.291 2.269 2.315     . 0 0 "[    .   ]" 1 
       1428 1  74 PHE HB3 1  75 ASP H    3.413 .  4.869 2.535 2.402 2.712     . 0 0 "[    .   ]" 1 
       1429 1  74 PHE HB3 1  77 PHE QD   4.040 .  6.080 3.669 3.361 3.950     . 0 0 "[    .   ]" 1 
       1430 1  74 PHE QD  1  75 ASP HA   3.332 .  4.719 4.115 4.001 4.267     . 0 0 "[    .   ]" 1 
       1431 1  74 PHE QD  1  77 PHE HB2  3.338 .  4.731 4.749 4.433 4.930 0.199 4 0 "[    .   ]" 1 
       1432 1  74 PHE QD  1  77 PHE HB3  3.403 .  4.851 3.263 3.000 3.402     . 0 0 "[    .   ]" 1 
       1433 1  74 PHE QD  1  77 PHE QD   2.360 .  3.056 3.025 2.853 3.235 0.179 1 0 "[    .   ]" 1 
       1434 1  74 PHE QD  1  78 LEU QD   3.368 .  4.367 3.482 3.211 3.606     . 0 0 "[    .   ]" 1 
       1435 1  74 PHE QE  1  77 PHE QD   3.004 .  4.132 3.701 3.611 3.887     . 0 0 "[    .   ]" 1 
       1436 1  74 PHE QE  1  78 LEU HB2  5.802 . 10.009 3.370 2.907 3.932     . 0 0 "[    .   ]" 1 
       1437 1  74 PHE QE  1  78 LEU QD   2.482 .  3.252 2.361 2.234 2.474     . 0 0 "[    .   ]" 1 
       1438 1  74 PHE HZ  1  78 LEU QD   2.685 .  3.586 2.358 2.276 2.439     . 0 0 "[    .   ]" 1 
       1439 1  75 ASP H   1  75 ASP HA   2.629 .  3.493 2.846 2.823 2.875     . 0 0 "[    .   ]" 1 
       1440 1  75 ASP H   1  75 ASP HB2  2.247 .  2.878 2.407 2.324 2.497     . 0 0 "[    .   ]" 1 
       1441 1  75 ASP H   1  75 ASP HB3  2.265 .  2.906 2.662 2.568 2.833     . 0 0 "[    .   ]" 1 
       1442 1  75 ASP H   1  76 GLU H    2.279 .  2.928 2.657 2.524 2.773     . 0 0 "[    .   ]" 1 
       1443 1  75 ASP HA  1  75 ASP HB2  2.264 .  2.905 2.545 2.502 2.635     . 0 0 "[    .   ]" 1 
       1444 1  75 ASP HA  1  75 ASP HB3  2.369 .  3.070 3.004 2.996 3.014     . 0 0 "[    .   ]" 1 
       1445 1  75 ASP HA  1  77 PHE HE1  4.257 .  6.522 5.644 5.591 5.697     . 0 0 "[    .   ]" 1 
       1446 1  75 ASP HA  1  78 LEU H    3.292 .  4.646 2.972 2.739 3.052     . 0 0 "[    .   ]" 1 
       1447 1  75 ASP HA  1  79 VAL HA   3.895 .  5.791 5.090 4.781 5.223     . 0 0 "[    .   ]" 1 
       1448 1  75 ASP HA  1  77 PHE HB3  3.366 .  4.782 4.475 4.255 4.555     . 0 0 "[    .   ]" 1 
       1449 1  75 ASP HA  1  78 LEU HB2  2.454 .  3.207 2.733 1.919 3.130     . 0 0 "[    .   ]" 1 
       1450 1  75 ASP HA  1  78 LEU HB3  2.810 .  3.797 2.912 2.485 3.458     . 0 0 "[    .   ]" 1 
       1451 1  75 ASP HA  1  78 LEU QD   2.376 .  3.082 3.047 2.094 3.261 0.179 7 0 "[    .   ]" 1 
       1452 1  75 ASP HB3 1  76 GLU HA   4.875 .  7.846 4.269 4.127 4.368     . 0 0 "[    .   ]" 1 
       1453 1  75 ASP HB3 1  78 LEU HB2  3.558 .  5.140 4.687 4.241 5.220 0.080 3 0 "[    .   ]" 1 
       1454 1  76 GLU H   1  76 GLU QB   4.258 .  6.524 2.424 2.335 2.494     . 0 0 "[    .   ]" 1 
       1455 1  76 GLU H   1  77 PHE H    2.739 .  3.677 2.774 2.605 2.940     . 0 0 "[    .   ]" 1 
       1456 1  76 GLU HA  1  76 GLU QB   1.955 .  2.433 2.339 2.301 2.376     . 0 0 "[    .   ]" 1 
       1457 1  76 GLU HA  1  76 GLU HG2  2.419 .  3.150 3.034 2.545 3.399 0.249 3 0 "[    .   ]" 1 
       1458 1  76 GLU HA  1  76 GLU HG3  2.533 .  3.335 2.712 2.282 3.621 0.286 2 0 "[    .   ]" 1 
       1459 1  76 GLU HA  1  79 VAL H    3.078 .  4.262 3.611 3.413 3.701     . 0 0 "[    .   ]" 1 
       1460 1  76 GLU HA  1  79 VAL HA   4.005 .  6.010 5.298 5.227 5.367     . 0 0 "[    .   ]" 1 
       1461 1  76 GLU HA  1  79 VAL HB   2.276 .  2.923 2.918 2.794 2.969 0.046 7 0 "[    .   ]" 1 
       1462 1  76 GLU HA  1  79 VAL QG   3.420 .  4.882 3.161 2.963 3.451     . 0 0 "[    .   ]" 1 
       1463 1  76 GLU QB  1  76 GLU HG2  2.300 .  2.961 2.202 2.097 2.326     . 0 0 "[    .   ]" 1 
       1464 1  76 GLU QB  1  76 GLU HG3  2.374 .  3.078 2.378 2.119 2.474     . 0 0 "[    .   ]" 1 
       1465 1  76 GLU QB  1  77 PHE H    4.708 .  7.479 2.210 2.127 2.371     . 0 0 "[    .   ]" 1 
       1466 1  77 PHE H   1  77 PHE HA   2.833 .  3.836 2.780 2.724 2.819     . 0 0 "[    .   ]" 1 
       1467 1  77 PHE H   1  77 PHE HB2  2.558 .  3.376 2.534 2.427 2.601     . 0 0 "[    .   ]" 1 
       1468 1  77 PHE H   1  77 PHE HB3  2.304 .  2.968 2.386 2.233 2.613     . 0 0 "[    .   ]" 1 
       1469 1  77 PHE H   1  77 PHE QD   3.880 .  5.762 4.084 4.023 4.140     . 0 0 "[    .   ]" 1 
       1470 1  77 PHE H   1  78 LEU H    2.958 .  4.052 2.731 2.646 2.793     . 0 0 "[    .   ]" 1 
       1471 1  77 PHE HA  1  77 PHE HB2  2.510 .  3.298 2.399 2.327 2.483     . 0 0 "[    .   ]" 1 
       1472 1  77 PHE HA  1  77 PHE HB3  2.518 .  3.311 3.006 2.990 3.014     . 0 0 "[    .   ]" 1 
       1473 1  77 PHE HA  1  77 PHE QD   2.885 .  3.925 2.969 2.491 3.252     . 0 0 "[    .   ]" 1 
       1474 1  77 PHE HA  1  80 MET H    4.243 .  6.494 3.236 3.021 3.434     . 0 0 "[    .   ]" 1 
       1475 1  77 PHE HA  1  80 MET HB2  2.489 .  3.264 2.889 2.322 3.214     . 0 0 "[    .   ]" 1 
       1476 1  77 PHE HA  1  80 MET HB3  2.390 .  3.104 2.375 2.082 2.638     . 0 0 "[    .   ]" 1 
       1477 1  77 PHE HA  1  80 MET ME   2.858 .  3.879 2.495 1.875 3.137     . 0 0 "[    .   ]" 1 
       1478 1  77 PHE HB2 1  77 PHE QD   2.730 .  3.662 2.378 2.274 2.526     . 0 0 "[    .   ]" 1 
       1479 1  77 PHE HB3 1  77 PHE QD   2.416 .  3.145 2.338 2.220 2.484     . 0 0 "[    .   ]" 1 
       1480 1  77 PHE HB3 1  78 LEU H    2.545 .  3.355 2.451 2.298 2.556     . 0 0 "[    .   ]" 1 
       1481 1  77 PHE HB3 1  81 MET ME   3.931 .  5.862 4.430 4.274 4.575     . 0 0 "[    .   ]" 1 
       1482 1  77 PHE QD  1  78 LEU QD   3.936 .  4.201 3.503 3.301 3.814     . 0 0 "[    .   ]" 1 
       1483 1  77 PHE QD  1  80 MET ME   2.974 .  4.079 2.203 1.952 2.490     . 0 0 "[    .   ]" 1 
       1484 1  77 PHE QD  1  81 MET ME   3.251 .  4.572 3.393 3.131 3.877     . 0 0 "[    .   ]" 1 
       1485 1  77 PHE QD  1  81 MET HG3  2.619 .  3.476 3.480 3.137 3.789 0.313 7 0 "[    .   ]" 1 
       1486 1  77 PHE HE1 1  81 MET HA   3.859 .  5.721 5.774 5.573 5.877 0.156 7 0 "[    .   ]" 1 
       1487 1  77 PHE HE1 1  81 MET ME   4.375 .  6.767 4.072 3.961 4.216     . 0 0 "[    .   ]" 1 
       1488 1  77 PHE HZ  1  81 MET HB2  4.693 .  7.447 6.033 5.806 6.410     . 0 0 "[    .   ]" 1 
       1489 1  77 PHE HZ  1  81 MET ME   3.052 .  4.216 3.295 2.892 3.644     . 0 0 "[    .   ]" 1 
       1490 1  77 PHE HZ  1 103 ILE MG   4.003 .  6.006 4.341 2.978 5.247     . 0 0 "[    .   ]" 1 
       1491 1  77 PHE HZ  1 108 MET ME   5.696 .  9.752 2.735 1.823 4.972     . 0 0 "[    .   ]" 1 
       1492 1  78 LEU H   1  78 LEU HB2  2.190 .  2.790 2.257 2.171 2.349     . 0 0 "[    .   ]" 1 
       1493 1  78 LEU H   1  78 LEU HB3  2.770 .  3.729 2.770 2.522 3.443     . 0 0 "[    .   ]" 1 
       1494 1  78 LEU H   1  78 LEU QD   2.884 .  3.924 3.476 3.269 3.569     . 0 0 "[    .   ]" 1 
       1495 1  78 LEU H   1  79 VAL H    3.097 .  4.296 2.702 2.606 2.806     . 0 0 "[    .   ]" 1 
       1496 1  78 LEU HA  1  78 LEU HB2  2.662 .  3.548 2.622 2.493 2.992     . 0 0 "[    .   ]" 1 
       1497 1  78 LEU HA  1  78 LEU HB2  2.051 .  2.577 2.569 2.455 2.872 0.295 1 0 "[    .   ]" 1 
       1498 1  78 LEU HA  1  78 LEU HB3  2.564 .  3.386 2.956 2.616 3.023     . 0 0 "[    .   ]" 1 
       1499 1  78 LEU HA  1  78 LEU QD   2.115 .  2.674 1.858 1.777 1.911     . 0 0 "[    .   ]" 1 
       1500 1  78 LEU HA  1  78 LEU HG   2.964 .  4.062 3.337 2.893 3.480     . 0 0 "[    .   ]" 1 
       1501 1  78 LEU HA  1  79 VAL H    3.016 .  4.153 3.568 3.524 3.588     . 0 0 "[    .   ]" 1 
       1502 1  78 LEU HA  1  81 MET HA   3.616 .  5.251 4.860 4.739 5.038     . 0 0 "[    .   ]" 1 
       1503 1  78 LEU HA  1  81 MET H    3.818 .  5.640 3.206 3.043 3.446     . 0 0 "[    .   ]" 1 
       1504 1  78 LEU HA  1  81 MET HB2  2.632 .  3.498 2.255 2.148 2.352     . 0 0 "[    .   ]" 1 
       1505 1  78 LEU HA  1  81 MET HB3  4.103 .  6.208 3.718 3.678 3.819     . 0 0 "[    .   ]" 1 
       1506 1  78 LEU HA  1  81 MET HG3  3.162 .  4.412 3.332 2.996 3.955     . 0 0 "[    .   ]" 1 
       1507 1  78 LEU HB2 1  78 LEU QD   2.260 .  2.899 2.072 2.018 2.258     . 0 0 "[    .   ]" 1 
       1508 1  78 LEU HB2 1  79 VAL H    2.128 .  2.694 2.500 2.168 2.816 0.122 5 0 "[    .   ]" 1 
       1509 1  78 LEU HB3 1  78 LEU QD   2.203 .  2.810 2.419 2.083 2.574     . 0 0 "[    .   ]" 1 
       1510 1  78 LEU HB3 1  78 LEU HG   2.270 .  2.914 2.368 2.227 2.997 0.083 1 0 "[    .   ]" 1 
       1511 1  78 LEU HB3 1  79 VAL H    2.984 .  4.097 2.517 2.193 3.230     . 0 0 "[    .   ]" 1 
       1512 1  78 LEU HB3 1  82 VAL QG   4.035 .  6.070 4.355 4.118 4.556     . 0 0 "[    .   ]" 1 
       1513 1  78 LEU QD  1  78 LEU HG   1.966 .  2.301 1.892 1.886 1.899     . 0 0 "[    .   ]" 1 
       1514 1  78 LEU QD  1  79 VAL H    3.471 .  4.977 3.905 3.790 4.052     . 0 0 "[    .   ]" 1 
       1515 1  78 LEU QD  1  85 MET ME   3.647 .  5.310 3.769 3.358 5.360 0.050 1 0 "[    .   ]" 1 
       1516 1  79 VAL H   1  79 VAL HA   2.647 .  3.523 2.793 2.770 2.819     . 0 0 "[    .   ]" 1 
       1517 1  79 VAL H   1  79 VAL HB   2.300 .  2.961 2.277 2.105 2.491     . 0 0 "[    .   ]" 1 
       1518 1  79 VAL H   1  79 VAL QG   3.002 .  3.076 2.604 2.181 2.936     . 0 0 "[    .   ]" 1 
       1519 1  79 VAL H   1  80 MET H    2.409 .  3.134 2.766 2.668 2.811     . 0 0 "[    .   ]" 1 
       1520 1  79 VAL HA  1  79 VAL HB   2.620 .  3.478 2.950 2.838 3.034     . 0 0 "[    .   ]" 1 
       1521 1  79 VAL HA  1  79 VAL QG   2.287 .  2.732 2.090 2.009 2.148     . 0 0 "[    .   ]" 1 
       1522 1  79 VAL HA  1  79 VAL QG   1.999 .  2.499 1.891 1.789 1.939     . 0 0 "[    .   ]" 1 
       1523 1  79 VAL HA  1  82 VAL H    4.799 .  7.678 3.452 3.328 3.615     . 0 0 "[    .   ]" 1 
       1524 1  79 VAL HA  1  82 VAL HA   4.149 .  6.301 5.670 5.175 5.836     . 0 0 "[    .   ]" 1 
       1525 1  79 VAL HA  1  82 VAL QG   2.165 .  2.751 2.193 1.922 2.392     . 0 0 "[    .   ]" 1 
       1526 1  79 VAL HA  1  83 ARG HG3  3.541 .  5.109 3.872 3.749 4.017     . 0 0 "[    .   ]" 1 
       1527 1  79 VAL HB  1  79 VAL QG   2.041 .  2.562 1.884 1.865 1.897     . 0 0 "[    .   ]" 1 
       1528 1  79 VAL MG1 1  79 VAL MG2  1.919 .  2.379 2.009 1.913 2.065     . 0 0 "[    .   ]" 1 
       1529 1  79 VAL QG  1  83 ARG HB3  3.339 .  4.733 4.635 4.460 4.736 0.003 6 0 "[    .   ]" 1 
       1530 1  79 VAL QG  1  83 ARG QD   2.343 .  3.029 1.901 1.741 2.408 0.142 4 0 "[    .   ]" 1 
       1531 1  79 VAL QG  1  83 ARG HG2  3.052 .  4.217 3.329 3.213 3.472     . 0 0 "[    .   ]" 1 
       1532 1  79 VAL QG  1  83 ARG HG3  2.644 .  3.518 2.543 2.346 2.657     . 0 0 "[    .   ]" 1 
       1533 1  80 MET H   1  80 MET HB2  2.619 .  3.476 2.457 2.372 2.553     . 0 0 "[    .   ]" 1 
       1534 1  80 MET HA  1  80 MET HB2  2.431 .  3.169 2.478 2.425 2.533     . 0 0 "[    .   ]" 1 
       1535 1  80 MET HA  1  80 MET HB3  2.611 .  3.463 3.012 3.000 3.026     . 0 0 "[    .   ]" 1 
       1536 1  80 MET HA  1  80 MET ME   3.382 .  4.812 4.533 4.418 4.618     . 0 0 "[    .   ]" 1 
       1537 1  80 MET HA  1  80 MET HG2  2.504 .  3.288 3.071 2.297 3.274     . 0 0 "[    .   ]" 1 
       1538 1  80 MET HA  1  80 MET HG3  2.460 .  3.216 2.561 2.313 3.309 0.093 7 0 "[    .   ]" 1 
       1539 1  80 MET HA  1  81 MET ME   3.553 .  5.131 4.244 4.040 4.431     . 0 0 "[    .   ]" 1 
       1540 1  80 MET HA  1  83 ARG HB2  3.294 .  4.651 2.620 2.386 3.136     . 0 0 "[    .   ]" 1 
       1541 1  80 MET HA  1  83 ARG HB3  3.636 .  5.289 4.084 3.838 4.550     . 0 0 "[    .   ]" 1 
       1542 1  80 MET HA  1  83 ARG QD   2.818 .  3.811 1.939 1.773 2.162 0.052 8 0 "[    .   ]" 1 
       1543 1  80 MET HB2 1  80 MET HG2  2.678 .  3.575 2.939 2.751 2.980     . 0 0 "[    .   ]" 1 
       1544 1  80 MET HB3 1  80 MET HG2  2.504 .  3.288 2.419 2.307 2.895     . 0 0 "[    .   ]" 1 
       1545 1  80 MET HB3 1  81 MET H    2.857 .  3.878 2.569 2.372 2.881     . 0 0 "[    .   ]" 1 
       1546 1  80 MET HB3 1  81 MET HA   3.525 .  5.078 4.046 3.846 4.201     . 0 0 "[    .   ]" 1 
       1547 1  80 MET ME  1  81 MET ME   2.305 .  2.969 2.125 1.796 2.534     . 0 0 "[    .   ]" 1 
       1548 1  80 MET ME  1  81 MET HG2  2.992 .  4.111 3.185 2.373 3.762     . 0 0 "[    .   ]" 1 
       1549 1  80 MET ME  1  82 VAL QG   4.391 .  6.801 3.950 3.263 4.559     . 0 0 "[    .   ]" 1 
       1550 1  80 MET HG2 1  81 MET ME   2.640 .  3.511 2.452 2.228 3.575 0.064 7 0 "[    .   ]" 1 
       1551 1  80 MET HG3 1  81 MET ME   2.724 .  3.652 3.766 3.665 3.952 0.300 7 0 "[    .   ]" 1 
       1552 1  80 MET HG3 1  83 ARG QD   3.228 .  4.530 3.577 3.335 4.418     . 0 0 "[    .   ]" 1 
       1553 1  81 MET H   1  81 MET HB2  2.406 .  3.130 2.119 2.049 2.181     . 0 0 "[    .   ]" 1 
       1554 1  81 MET H   1  81 MET HG3  2.737 .  3.673 3.811 3.728 4.072 0.399 7 0 "[    .   ]" 1 
       1555 1  81 MET HA  1  81 MET HB2  2.494 .  3.272 2.970 2.954 2.983     . 0 0 "[    .   ]" 1 
       1556 1  81 MET HA  1  81 MET HB3  2.284 .  2.936 2.609 2.567 2.666     . 0 0 "[    .   ]" 1 
       1557 1  81 MET HA  1  81 MET ME   2.242 .  2.870 1.933 1.820 2.108     . 0 0 "[    .   ]" 1 
       1558 1  81 MET HA  1  81 MET HG2  3.873 .  5.748 2.971 2.885 3.065     . 0 0 "[    .   ]" 1 
       1559 1  81 MET HA  1  81 MET HG3  2.902 .  3.955 3.555 3.491 3.588     . 0 0 "[    .   ]" 1 
       1560 1  81 MET HA  1 103 ILE MD   2.990 .  4.108 4.133 3.841 4.322 0.214 4 0 "[    .   ]" 1 
       1561 1  81 MET HB2 1  81 MET HG2  2.712 .  3.631 2.339 2.282 2.369     . 0 0 "[    .   ]" 1 
       1562 1  81 MET HB2 1  81 MET HG3  2.844 .  3.855 2.503 2.467 2.586     . 0 0 "[    .   ]" 1 
       1563 1  81 MET ME  1  81 MET HG2  2.471 .  3.234 2.314 2.291 2.338     . 0 0 "[    .   ]" 1 
       1564 1  81 MET ME  1 103 ILE MG   2.003 .  2.504 2.097 1.750 2.460     . 0 0 "[    .   ]" 1 
       1565 1  81 MET ME  1 109 MET HG3  3.307 .  4.674 3.817 3.586 4.080     . 0 0 "[    .   ]" 1 
       1566 1  81 MET ME  1 108 MET ME   2.388 .  3.101 2.710 1.993 3.295 0.194 8 0 "[    .   ]" 1 
       1567 1  81 MET ME  1 109 MET ME   2.782 .  3.749 3.873 3.658 4.247 0.498 1 0 "[    .   ]" 1 
       1568 1  82 VAL H   1  82 VAL HA   2.460 .  3.216 2.853 2.821 2.884     . 0 0 "[    .   ]" 1 
       1569 1  82 VAL H   1  82 VAL QG   2.196 .  2.799 1.898 1.635 2.624     . 0 0 "[    .   ]" 1 
       1570 1  82 VAL HA  1  82 VAL HB   2.257 .  2.894 2.319 2.206 2.640     . 0 0 "[    .   ]" 1 
       1571 1  82 VAL HA  1  82 VAL HB   2.043 .  2.565 1.914 1.594 2.504     . 0 0 "[    .   ]" 1 
       1572 1  82 VAL HA  1  82 VAL QG   2.129 .  2.695 2.487 2.111 2.617     . 0 0 "[    .   ]" 1 
       1573 1  82 VAL HA  1  85 MET QB   2.899 .  3.949 2.147 1.635 3.109 0.214 6 0 "[    .   ]" 1 
       1574 1  82 VAL HA  1  85 MET ME   2.425 .  3.160 2.186 1.727 3.361 0.201 1 0 "[    .   ]" 1 
       1575 1  82 VAL HA  1  85 MET QG   2.741 .  3.680 2.475 1.982 3.365     . 0 0 "[    .   ]" 1 
       1576 1  82 VAL HB  1  82 VAL QG   2.055 .  2.353 1.874 1.864 1.881     . 0 0 "[    .   ]" 1 
       1577 1  82 VAL HB  1  83 ARG H    4.257 .  6.522 4.127 3.664 4.323     . 0 0 "[    .   ]" 1 
       1578 1  82 VAL QG  1  83 ARG H    3.018 .  4.157 2.331 2.009 2.562     . 0 0 "[    .   ]" 1 
       1579 1  82 VAL QG  1  83 ARG HA   4.820 .  7.725 2.881 2.774 3.003     . 0 0 "[    .   ]" 1 
       1580 1  82 VAL QG  1  83 ARG HB3  3.277 .  4.619 4.442 4.360 4.537     . 0 0 "[    .   ]" 1 
       1581 1  82 VAL QG  1  83 ARG QD   3.434 .  4.908 3.378 2.171 3.766     . 0 0 "[    .   ]" 1 
       1582 1  83 ARG H   1  83 ARG HA   2.847 .  3.860 2.807 2.769 2.833     . 0 0 "[    .   ]" 1 
       1583 1  83 ARG H   1  83 ARG HB3  2.718 .  3.641 3.584 3.434 3.632     . 0 0 "[    .   ]" 1 
       1584 1  83 ARG H   1  83 ARG HG3  2.827 .  3.826 2.289 1.997 2.803     . 0 0 "[    .   ]" 1 
       1585 1  83 ARG H   1  84 SER H    2.728 .  3.658 2.652 2.559 2.749     . 0 0 "[    .   ]" 1 
       1586 1  83 ARG HA  1  83 ARG HB2  2.324 .  2.999 3.015 2.949 3.033 0.034 6 0 "[    .   ]" 1 
       1587 1  83 ARG HA  1  83 ARG HB3  2.272 .  2.917 2.506 2.426 2.639     . 0 0 "[    .   ]" 1 
       1588 1  83 ARG HA  1  83 ARG HG2  2.324 .  2.999 2.595 2.478 2.740     . 0 0 "[    .   ]" 1 
       1589 1  83 ARG HA  1  83 ARG HG3  2.506 .  3.291 2.925 2.556 3.103     . 0 0 "[    .   ]" 1 
       1590 1  83 ARG HA  1  84 SER H    4.733 .  7.533 3.513 3.459 3.560     . 0 0 "[    .   ]" 1 
       1591 1  83 ARG HA  1  86 LYS QB   3.706 .  5.423 3.824 3.343 4.586     . 0 0 "[    .   ]" 1 
       1592 1  83 ARG HB2 1  83 ARG QD   2.389 .  3.102 2.340 2.228 2.452     . 0 0 "[    .   ]" 1 
       1593 1  83 ARG HB2 1  83 ARG HG2  2.688 .  3.591 3.001 2.992 3.006     . 0 0 "[    .   ]" 1 
       1594 1  83 ARG HB2 1  83 ARG HG3  2.296 .  2.955 2.489 2.440 2.515     . 0 0 "[    .   ]" 1 
       1595 1  83 ARG HB2 1  84 SER H    2.985 .  4.099 2.653 2.513 2.937     . 0 0 "[    .   ]" 1 
       1596 1  83 ARG HB3 1  83 ARG QD   2.341 .  3.026 2.841 2.353 3.044 0.018 7 0 "[    .   ]" 1 
       1597 1  83 ARG HB3 1  83 ARG HG2  2.784 .  3.753 2.386 2.365 2.440     . 0 0 "[    .   ]" 1 
       1598 1  83 ARG HB3 1  83 ARG HG3  2.430 .  3.168 2.998 2.985 3.007     . 0 0 "[    .   ]" 1 
       1599 1  83 ARG HB3 1  84 SER H    4.220 .  6.446 3.598 3.378 3.763     . 0 0 "[    .   ]" 1 
       1600 1  83 ARG QD  1  83 ARG HG2  2.182 .  2.777 2.404 2.341 2.450     . 0 0 "[    .   ]" 1 
       1601 1  83 ARG QD  1  83 ARG HG3  2.188 .  2.786 2.175 2.152 2.260     . 0 0 "[    .   ]" 1 
       1602 1  84 SER H   1  84 SER HA   2.632 .  3.498 2.868 2.860 2.878     . 0 0 "[    .   ]" 1 
       1603 1  84 SER H   1  84 SER QB   2.231 .  2.853 2.551 2.276 2.772     . 0 0 "[    .   ]" 1 
       1604 1  84 SER H   1  85 MET H    2.639 .  3.510 2.475 2.400 2.598     . 0 0 "[    .   ]" 1 
       1605 1  84 SER HA  1  84 SER QB   1.961 .  2.442 2.275 2.168 2.387     . 0 0 "[    .   ]" 1 
       1606 1  84 SER HA  1  85 MET H    2.534 .  3.337 3.390 3.303 3.496 0.159 3 0 "[    .   ]" 1 
       1607 1  84 SER HA  1  97 THR MG   3.004 .  4.132 3.401 2.397 4.251 0.119 4 0 "[    .   ]" 1 
       1608 1  84 SER HA  1 103 ILE MG   3.434 .  4.908 4.833 4.540 5.068 0.160 1 0 "[    .   ]" 1 
       1609 1  84 SER QB  1  85 MET H    2.843 .  3.853 3.305 2.439 3.845     . 0 0 "[    .   ]" 1 
       1610 1  84 SER QB  1 103 ILE HB   3.499 .  5.029 4.161 3.460 5.471 0.442 1 0 "[    .   ]" 1 
       1611 1  84 SER QB  1 103 ILE MG   2.485 .  3.257 3.241 2.944 4.128 0.871 1 1 "[+   .   ]" 1 
       1612 1  84 SER QB  1 103 ILE MG   2.451 .  3.202 2.767 2.474 2.863     . 0 0 "[    .   ]" 1 
       1613 1  85 MET H   1  85 MET QB   2.344 .  3.031 2.110 1.913 2.552     . 0 0 "[    .   ]" 1 
       1614 1  85 MET H   1  85 MET QG   2.683 .  3.583 2.913 2.453 3.464     . 0 0 "[    .   ]" 1 
       1615 1  85 MET HA  1  85 MET QB   1.912 .  2.369 2.418 2.154 2.524 0.155 7 0 "[    .   ]" 1 
       1616 1  85 MET HA  1  85 MET QG   2.526 .  3.323 2.334 1.975 3.337 0.014 1 0 "[    .   ]" 1 
       1617 1  85 MET HA  1  86 LYS H    2.472 .  3.236 2.697 2.670 2.736     . 0 0 "[    .   ]" 1 
       1618 1  85 MET HA  1 105 ALA MB   2.338 .  3.021 2.828 2.263 3.525 0.504 1 1 "[+   .   ]" 1 
       1619 1  85 MET QB  1  85 MET QG   2.290 .  2.845 1.922 1.896 1.964     . 0 0 "[    .   ]" 1 
       1620 1  85 MET QB  1  85 MET QG   2.369 .  2.958 2.051 2.013 2.074     . 0 0 "[    .   ]" 1 
       1621 1  85 MET QB  1  86 LYS H    4.277 .  6.563 2.617 2.191 3.857     . 0 0 "[    .   ]" 1 
       1622 1  85 MET ME  1  85 MET QG   2.524 .  3.211 2.342 2.200 2.564     . 0 0 "[    .   ]" 1 
       1623 1  85 MET QG  1 105 ALA MB   2.410 .  3.136 2.583 2.233 3.654 0.518 1 1 "[+   .   ]" 1 
       1624 1  85 MET QG  1 109 MET ME   4.868 .  7.830 5.213 5.020 5.942     . 0 0 "[    .   ]" 1 
       1625 1  86 LYS H   1  86 LYS QB   2.423 .  3.157 2.171 2.087 2.282     . 0 0 "[    .   ]" 1 
       1626 1  86 LYS H   1  90 LYS QG   2.954 .  4.045 3.368 2.938 4.088 0.043 3 0 "[    .   ]" 1 
       1627 1  86 LYS QB  1  90 LYS HA   2.161 .  2.745 3.222 1.680 4.462 1.717 1 4 "[+ * .-* ]" 1 
       1628 1  86 LYS QB  1  90 LYS QE   3.429 .  3.828 3.115 2.106 3.710     . 0 0 "[    .   ]" 1 
       1629 1  86 LYS QB  1  90 LYS QG   2.113 .  2.635 1.894 1.702 2.107     . 0 0 "[    .   ]" 1 
       1630 1  86 LYS QB  1  92 LYS QE   5.025 .  8.182 6.943 5.993 7.896     . 0 0 "[    .   ]" 1 
       1631 1  87 ASP H   1  87 ASP QB   4.700 .  7.461 2.150 1.899 2.452 0.040 6 0 "[    .   ]" 1 
       1632 1  87 ASP QB  1  88 ASP H    2.868 .  3.896 2.291 1.750 2.531 0.090 1 0 "[    .   ]" 1 
       1633 1  87 ASP QB  1  89 SER HA   2.957 .  4.050 4.019 3.837 4.240 0.190 6 0 "[    .   ]" 1 
       1634 1  87 ASP QB  1  90 LYS HA   2.651 .  3.529 2.563 1.879 3.563 0.034 7 0 "[    .   ]" 1 
       1635 1  87 ASP QB  1  90 LYS QD   3.077 .  4.260 3.605 2.574 4.321 0.061 5 0 "[    .   ]" 1 
       1636 1  87 ASP QB  1  90 LYS QG   3.474 .  4.982 3.689 2.324 4.620     . 0 0 "[    .   ]" 1 
       1637 1  88 ASP HA  1  88 ASP QB   1.842 .  2.266 2.322 2.177 2.408 0.142 3 0 "[    .   ]" 1 
       1638 1  89 SER HA  1  89 SER HB2  2.187 .  2.785 2.777 2.434 2.995 0.210 7 0 "[    .   ]" 1 
       1639 1  89 SER HA  1  89 SER QB   1.879 .  2.320 2.299 2.147 2.381 0.061 5 0 "[    .   ]" 1 
       1640 1  89 SER HA  1  89 SER HB3  2.192 .  2.793 2.543 2.246 2.995 0.202 5 0 "[    .   ]" 1 
       1641 1  89 SER HB2 1  92 LYS QB   3.434 .  4.908 3.628 2.022 4.439     . 0 0 "[    .   ]" 1 
       1642 1  90 LYS H   1  90 LYS QG   3.190 .  4.462 2.843 2.445 3.144     . 0 0 "[    .   ]" 1 
       1643 1  90 LYS HA  1  90 LYS QD   2.194 .  2.795 2.304 1.980 2.793     . 0 0 "[    .   ]" 1 
       1644 1  90 LYS HA  1  90 LYS QG   2.086 .  2.630 2.574 2.402 2.910 0.280 7 0 "[    .   ]" 1 
       1645 1  90 LYS QD  1  90 LYS QE   1.637 .  1.972 2.056 1.997 2.084 0.112 1 0 "[    .   ]" 1 
       1646 1  92 LYS HA  1  93 PHE H    4.256 .  6.520 2.931 2.167 3.533     . 0 0 "[    .   ]" 1 
       1647 1  92 LYS QB  1  93 PHE HB2  3.451 .  4.940 3.937 3.419 4.528     . 0 0 "[    .   ]" 1 
       1648 1  92 LYS QB  1  93 PHE HB3  3.150 .  4.390 4.230 3.681 4.530 0.140 6 0 "[    .   ]" 1 
       1649 1  92 LYS QB  1  93 PHE QD   3.861 .  5.724 5.210 4.950 5.515     . 0 0 "[    .   ]" 1 
       1650 1  92 LYS QD  1  92 LYS QE   2.097 .  2.646 2.013 1.981 2.086     . 0 0 "[    .   ]" 1 
       1651 1  92 LYS QE  1  92 LYS HG3  2.421 .  3.154 2.715 2.476 3.412 0.258 8 0 "[    .   ]" 1 
       1652 1  93 PHE HA  1  93 PHE HB2  2.453 .  3.205 2.515 2.456 2.636     . 0 0 "[    .   ]" 1 
       1653 1  93 PHE HA  1  93 PHE HB3  2.493 .  3.270 3.021 3.000 3.028     . 0 0 "[    .   ]" 1 
       1654 1  93 PHE HA  1  93 PHE QD   2.763 .  3.717 2.542 2.160 2.881     . 0 0 "[    .   ]" 1 
       1655 1  93 PHE HB2 1  93 PHE QD   2.562 .  3.382 2.540 2.403 2.680     . 0 0 "[    .   ]" 1 
       1656 1  93 PHE HB3 1  93 PHE QD   2.438 .  3.181 2.304 2.270 2.368     . 0 0 "[    .   ]" 1 
       1657 1  94 LYS HA  1  94 LYS HB2  2.221 .  2.838 2.323 2.169 2.479     . 0 0 "[    .   ]" 1 
       1658 1  94 LYS HA  1  94 LYS HB3  2.175 .  2.766 2.705 2.469 2.995 0.229 2 0 "[    .   ]" 1 
       1659 1  94 LYS HA  1  94 LYS QG   2.327 .  3.004 2.436 2.325 2.682     . 0 0 "[    .   ]" 1 
       1660 1  94 LYS HA  1  95 ARG H    2.914 .  3.975 3.016 2.276 3.577     . 0 0 "[    .   ]" 1 
       1661 1  94 LYS HB2 1  94 LYS HE3  4.570 .  7.180 2.568 1.798 4.050 0.162 8 0 "[    .   ]" 1 
       1662 1  94 LYS HB2 1  94 LYS QG   2.059 .  2.589 2.323 2.217 2.379     . 0 0 "[    .   ]" 1 
       1663 1  94 LYS HB3 1  94 LYS HE3  3.361 .  4.773 4.203 2.886 4.655     . 0 0 "[    .   ]" 1 
       1664 1  94 LYS HB3 1  94 LYS QG   2.024 .  2.536 2.360 2.305 2.457     . 0 0 "[    .   ]" 1 
       1665 1  94 LYS HE3 1  94 LYS QG   2.167 .  2.754 2.508 2.343 2.828 0.074 8 0 "[    .   ]" 1 
       1666 1  95 ARG H   1  95 ARG QB   2.993 .  4.113 2.720 2.337 3.285     . 0 0 "[    .   ]" 1 
       1667 1  95 ARG HA  1  95 ARG QB   2.525 .  3.322 2.319 2.157 2.460     . 0 0 "[    .   ]" 1 
       1668 1  95 ARG HA  1  95 ARG QD   2.878 .  3.914 3.275 1.906 4.265 0.351 2 0 "[    .   ]" 1 
       1669 1  95 ARG HA  1  95 ARG QG   2.487 .  3.260 2.788 2.368 3.304 0.044 2 0 "[    .   ]" 1 
       1670 1  95 ARG HA  1  96 PRO QD   2.086 .  2.630 2.468 1.826 3.484 0.854 6 3 "[    .+-*]" 1 
       1671 1  95 ARG HA  1  96 PRO QG   4.778 .  7.632 4.246 3.743 5.093     . 0 0 "[    .   ]" 1 
       1672 1  95 ARG QB  1  96 PRO QD   2.921 .  3.199 2.055 1.928 2.115     . 0 0 "[    .   ]" 1 
       1673 1  95 ARG QB  1  98 LEU QD   3.961 .  5.922 5.043 4.132 7.174 1.252 8 1 "[    .  +]" 1 
       1674 1  95 ARG QD  1  95 ARG QG   1.636 .  1.971 2.030 1.996 2.079 0.108 7 0 "[    .   ]" 1 
       1675 1  95 ARG QD  1  96 PRO QD   3.260 .  4.532 3.617 2.988 4.163     . 0 0 "[    .   ]" 1 
       1676 1  95 ARG QG  1  96 PRO QD   3.386 .  4.050 3.425 2.616 3.787     . 0 0 "[    .   ]" 1 
       1677 1  96 PRO HA  1  96 PRO HB2  2.533 .  3.335 2.823 2.695 2.962     . 0 0 "[    .   ]" 1 
       1678 1  96 PRO HA  1  96 PRO HB3  2.389 .  3.103 2.272 2.244 2.304     . 0 0 "[    .   ]" 1 
       1679 1  96 PRO HA  1  96 PRO QD   2.948 .  4.034 3.310 2.950 3.511     . 0 0 "[    .   ]" 1 
       1680 1  96 PRO HA  1  96 PRO QG   2.807 .  3.792 3.374 2.983 3.535     . 0 0 "[    .   ]" 1 
       1681 1  96 PRO HB2 1  96 PRO QD   2.856 .  3.788 3.334 2.848 3.510     . 0 0 "[    .   ]" 1 
       1682 1  96 PRO HB3 1  96 PRO QD   2.951 .  4.040 3.223 2.888 3.527     . 0 0 "[    .   ]" 1 
       1683 1  97 THR HA  1  97 THR MG   2.231 .  2.853 2.279 2.174 2.418     . 0 0 "[    .   ]" 1 
       1684 1  97 THR HA  1  98 LEU H    3.423 .  4.888 2.444 2.091 3.015     . 0 0 "[    .   ]" 1 
       1685 1  97 THR HA  1  98 LEU QB   2.981 .  4.092 3.928 3.425 4.346 0.254 7 0 "[    .   ]" 1 
       1686 1  97 THR HA  1 102 ARG QD   3.650 .  5.315 4.931 4.420 5.525 0.210 4 0 "[    .   ]" 1 
       1687 1  97 THR HB  1  97 THR MG   2.086 .  2.630 2.136 2.131 2.144     . 0 0 "[    .   ]" 1 
       1688 1  97 THR HB  1  98 LEU QB   3.214 .  4.505 4.846 4.199 6.030 1.525 6 2 "[    .+- ]" 1 
       1689 1  97 THR HB  1  98 LEU QD   3.875 .  5.752 4.430 3.684 5.148     . 0 0 "[    .   ]" 1 
       1690 1  97 THR MG  1 102 ARG QD   2.827 .  3.826 2.415 1.968 3.131     . 0 0 "[    .   ]" 1 
       1691 1  98 LEU H   1  98 LEU QB   3.418 .  4.879 3.030 2.340 3.454     . 0 0 "[    .   ]" 1 
       1692 1  98 LEU HA  1  98 LEU QB   1.966 .  2.449 2.275 2.109 2.379     . 0 0 "[    .   ]" 1 
       1693 1  98 LEU HA  1  98 LEU QD   2.234 .  2.858 2.202 1.831 2.990 0.132 6 0 "[    .   ]" 1 
       1694 1  98 LEU QB  1  98 LEU QD   1.963 .  2.400 1.718 1.670 1.748     . 0 0 "[    .   ]" 1 
       1695 1  98 LEU QB  1 101 VAL HA   3.312 .  4.684 4.361 3.843 4.769 0.085 1 0 "[    .   ]" 1 
       1696 1  98 LEU QD  1 102 ARG QD   2.291 .  2.947 2.668 1.986 3.586 0.639 6 2 "[    .+- ]" 1 
       1697 1  98 LEU QD  1 102 ARG H    3.351 .  4.755 3.262 2.889 3.575     . 0 0 "[    .   ]" 1 
       1698 1  98 LEU QD  1 102 ARG QD   2.483 .  3.254 2.223 1.812 2.755     . 0 0 "[    .   ]" 1 
       1699 1 100 ARG HA  1 100 ARG QD   2.259 .  2.897 2.930 2.183 3.650 0.753 6 2 "[    .+ -]" 1 
       1700 1 100 ARG HA  1 100 ARG QG   1.922 .  2.384 2.410 2.350 2.487 0.103 8 0 "[    .   ]" 1 
       1701 1 100 ARG HA  1 101 VAL HB   4.667 .  7.390 6.303 5.847 6.633     . 0 0 "[    .   ]" 1 
       1702 1 100 ARG HA  1 101 VAL QG   3.076 .  4.259 4.254 3.779 4.403 0.144 6 0 "[    .   ]" 1 
       1703 1 100 ARG QB  1 100 ARG QD   2.100 .  2.651 2.357 2.278 2.591     . 0 0 "[    .   ]" 1 
       1704 1 100 ARG QB  1 101 VAL H    3.418 .  4.878 2.426 1.958 3.152 0.000 7 0 "[    .   ]" 1 
       1705 1 100 ARG QB  1 101 VAL QG   2.393 .  3.109 2.642 2.229 3.003     . 0 0 "[    .   ]" 1 
       1706 1 100 ARG QD  1 101 VAL QG   3.215 .  4.507 2.819 1.986 3.606     . 0 0 "[    .   ]" 1 
       1707 1 101 VAL H   1 101 VAL HB   2.854 .  3.872 3.368 2.563 3.981 0.109 4 0 "[    .   ]" 1 
       1708 1 101 VAL H   1 101 VAL QG   2.625 .  3.486 1.954 1.629 2.510 0.135 7 0 "[    .   ]" 1 
       1709 1 101 VAL HA  1 101 VAL HB   2.270 .  2.914 2.613 2.334 3.008 0.094 8 0 "[    .   ]" 1 
       1710 1 101 VAL HA  1 101 VAL QG   2.127 .  2.692 2.187 2.047 2.458     . 0 0 "[    .   ]" 1 
       1711 1 101 VAL HA  1 102 ARG H    2.248 .  2.880 2.418 2.207 2.930 0.050 3 0 "[    .   ]" 1 
       1712 1 101 VAL HB  1 101 VAL QG   1.952 .  2.429 1.873 1.858 1.889     . 0 0 "[    .   ]" 1 
       1713 1 101 VAL QG  1 102 ARG HA   3.174 .  4.433 3.817 2.988 4.354     . 0 0 "[    .   ]" 1 
       1714 1 102 ARG H   1 102 ARG HB3  2.662 .  3.548 3.040 2.536 3.615 0.067 8 0 "[    .   ]" 1 
       1715 1 102 ARG HA  1 102 ARG QD   2.553 .  3.368 2.005 1.837 2.501     . 0 0 "[    .   ]" 1 
       1716 1 102 ARG HA  1 103 ILE H    2.154 .  2.734 2.141 2.083 2.192     . 0 0 "[    .   ]" 1 
       1717 1 102 ARG QD  1 103 ILE MD   3.933 .  5.867 5.390 4.544 5.966 0.099 7 0 "[    .   ]" 1 
       1718 1 103 ILE H   1 103 ILE MD   2.871 .  3.901 3.308 3.186 3.423     . 0 0 "[    .   ]" 1 
       1719 1 103 ILE HA  1 103 ILE HB   2.254 .  2.889 2.986 2.971 3.006 0.117 7 0 "[    .   ]" 1 
       1720 1 103 ILE HA  1 103 ILE MD   2.643 .  3.516 3.249 1.870 3.713 0.197 3 0 "[    .   ]" 1 
       1721 1 103 ILE HA  1 103 ILE HG12 2.444 .  3.191 2.533 2.235 2.997     . 0 0 "[    .   ]" 1 
       1722 1 103 ILE HA  1 103 ILE HG13 2.721 .  3.647 3.051 2.266 3.732 0.085 7 0 "[    .   ]" 1 
       1723 1 103 ILE HA  1 103 ILE MG   2.333 .  3.013 2.516 2.407 2.610     . 0 0 "[    .   ]" 1 
       1724 1 103 ILE HA  1 104 SER H    2.146 .  2.722 2.176 2.149 2.226     . 0 0 "[    .   ]" 1 
       1725 1 103 ILE HB  1 103 ILE MD   2.098 .  2.648 2.647 2.208 3.222 0.574 8 2 "[    . -+]" 1 
       1726 1 103 ILE HB  1 103 ILE MD   2.090 .  2.636 2.020 1.925 2.097     . 0 0 "[    .   ]" 1 
       1727 1 103 ILE HB  1 103 ILE HG12 2.311 .  2.978 2.856 2.368 3.016 0.038 3 0 "[    .   ]" 1 
       1728 1 103 ILE HB  1 103 ILE HG13 2.706 .  3.621 2.449 2.379 2.709     . 0 0 "[    .   ]" 1 
       1729 1 103 ILE HB  1 103 ILE MG   2.158 .  2.740 2.118 2.108 2.125     . 0 0 "[    .   ]" 1 
       1730 1 103 ILE MD  1 103 ILE HG12 2.092 .  2.639 2.104 2.061 2.116     . 0 0 "[    .   ]" 1 
       1731 1 103 ILE MD  1 103 ILE HG13 2.042 .  2.563 2.048 1.938 2.086     . 0 0 "[    .   ]" 1 
       1732 1 103 ILE MD  1 108 MET ME   2.360 .  3.056 2.771 2.036 3.254 0.198 3 0 "[    .   ]" 1 
       1733 1 103 ILE MD  1 108 MET QB   2.302 .  2.964 3.042 2.399 4.502 1.538 6 1 "[    .+  ]" 1 
       1734 1 103 ILE MG  1 104 SER H    4.233 .  6.473 2.973 2.672 3.265     . 0 0 "[    .   ]" 1 
       1735 1 103 ILE MG  1 104 SER HA   3.780 .  5.566 3.576 3.375 3.825     . 0 0 "[    .   ]" 1 
       1736 1 103 ILE MG  1 105 ALA HA   2.694 .  3.601 3.178 2.494 3.736 0.135 8 0 "[    .   ]" 1 
       1737 1 103 ILE MG  1 108 MET QB   2.366 .  3.066 2.299 2.057 2.984     . 0 0 "[    .   ]" 1 
       1738 1 104 SER H   1 107 ALA MB   3.481 .  4.996 2.922 2.374 4.009     . 0 0 "[    .   ]" 1 
       1739 1 104 SER HA  1 104 SER HB2  2.255 .  2.890 3.016 3.005 3.028 0.138 2 0 "[    .   ]" 1 
       1740 1 104 SER HA  1 104 SER HB3  2.314 .  2.984 2.465 2.441 2.519     . 0 0 "[    .   ]" 1 
       1741 1 104 SER HA  1 107 ALA MB   2.966 .  4.066 4.076 3.914 4.245 0.179 8 0 "[    .   ]" 1 
       1742 1 104 SER HB2 1 105 ALA H    3.264 .  4.596 2.707 2.680 2.754     . 0 0 "[    .   ]" 1 
       1743 1 104 SER HB2 1 107 ALA MB   2.302 .  2.965 1.832 1.706 1.991     . 0 0 "[    .   ]" 1 
       1744 1 104 SER HB3 1 107 ALA MB   2.382 .  3.091 2.964 2.488 3.123 0.032 4 0 "[    .   ]" 1 
       1745 1 105 ALA H   1 105 ALA MB   2.973 .  4.078 2.233 2.196 2.261     . 0 0 "[    .   ]" 1 
       1746 1 105 ALA HA  1 105 ALA MB   1.800 .  2.205 2.125 2.121 2.129     . 0 0 "[    .   ]" 1 
       1747 1 105 ALA HA  1 107 ALA H    3.798 .  5.601 4.281 4.191 4.426     . 0 0 "[    .   ]" 1 
       1748 1 105 ALA HA  1 109 MET ME   3.469 .  4.973 3.796 3.184 4.023     . 0 0 "[    .   ]" 1 
       1749 1 105 ALA HA  1 109 MET ME   3.033 .  4.183 4.028 3.325 4.255 0.072 2 0 "[    .   ]" 1 
       1750 1 105 ALA HA  1 109 MET HG3  3.340 .  4.734 4.912 4.802 5.092 0.358 1 0 "[    .   ]" 1 
       1751 1 105 ALA MB  1 106 ASP H    2.592 .  3.432 2.163 2.092 2.213     . 0 0 "[    .   ]" 1 
       1752 1 105 ALA MB  1 106 ASP QB   2.877 .  3.911 3.448 3.203 3.664     . 0 0 "[    .   ]" 1 
       1753 1 105 ALA MB  1 109 MET HG2  3.340 .  4.734 3.645 3.519 3.784     . 0 0 "[    .   ]" 1 
       1754 1 106 ASP H   1 106 ASP HA   2.743 .  3.683 2.813 2.759 2.854     . 0 0 "[    .   ]" 1 
       1755 1 106 ASP H   1 106 ASP QB   2.314 .  2.983 2.484 2.235 2.616     . 0 0 "[    .   ]" 1 
       1756 1 106 ASP H   1 107 ALA H    2.916 .  3.979 2.643 2.462 2.919     . 0 0 "[    .   ]" 1 
       1757 1 106 ASP HA  1 106 ASP QB   1.948 .  2.422 2.246 2.150 2.379     . 0 0 "[    .   ]" 1 
       1758 1 106 ASP HA  1 107 ALA H    4.773 .  7.621 3.480 3.419 3.546     . 0 0 "[    .   ]" 1 
       1759 1 106 ASP HA  1 109 MET H    2.658 .  3.541 2.609 2.492 2.723     . 0 0 "[    .   ]" 1 
       1760 1 106 ASP HA  1 109 MET QB   2.457 .  3.212 1.971 1.669 2.253 0.033 2 0 "[    .   ]" 1 
       1761 1 106 ASP HA  1 109 MET HG3  2.934 .  4.010 2.298 1.892 2.954     . 0 0 "[    .   ]" 1 
       1762 1 106 ASP HA  1 110 GLN QB   3.949 .  5.898 4.980 4.826 5.226     . 0 0 "[    .   ]" 1 
       1763 1 106 ASP HA  1 109 MET QB   2.363 .  3.061 2.320 1.700 2.974     . 0 0 "[    .   ]" 1 
       1764 1 106 ASP HA  1 109 MET HG2  3.011 .  4.144 2.753 2.309 3.478     . 0 0 "[    .   ]" 1 
       1765 1 106 ASP HA  1 109 MET HG3  2.182 .  2.777 2.330 1.897 3.072 0.295 6 0 "[    .   ]" 1 
       1766 1 106 ASP QB  1 107 ALA H    2.554 .  3.369 3.037 2.265 3.597 0.228 2 0 "[    .   ]" 1 
       1767 1 106 ASP QB  1 109 MET QB   2.784 .  3.753 3.638 2.865 4.523 0.770 1 4 "[+   .*-*]" 1 
       1768 1 107 ALA H   1 107 ALA HA   2.663 .  3.549 2.802 2.776 2.852     . 0 0 "[    .   ]" 1 
       1769 1 107 ALA H   1 107 ALA MB   2.247 .  2.878 2.231 2.203 2.266     . 0 0 "[    .   ]" 1 
       1770 1 107 ALA H   1 108 MET H    2.529 .  3.328 2.730 2.517 2.890     . 0 0 "[    .   ]" 1 
       1771 1 107 ALA HA  1 107 ALA MB   1.856 .  2.287 2.131 2.120 2.143     . 0 0 "[    .   ]" 1 
       1772 1 107 ALA HA  1 110 GLN QG   3.052 .  4.216 2.444 1.841 2.968 0.047 7 0 "[    .   ]" 1 
       1773 1 107 ALA HA  1 110 GLN QG   2.471 .  3.234 2.394 1.840 2.958     . 0 0 "[    .   ]" 1 
       1774 1 107 ALA MB  1 108 MET H    2.419 .  3.150 2.501 2.354 2.650     . 0 0 "[    .   ]" 1 
       1775 1 107 ALA MB  1 110 GLN QG   4.839 .  7.767 3.844 3.536 4.288     . 0 0 "[    .   ]" 1 
       1776 1 107 ALA MB  1 110 GLN QG   3.659 .  5.333 3.813 3.526 4.262     . 0 0 "[    .   ]" 1 
       1777 1 108 MET H   1 108 MET HA   2.350 .  3.040 2.855 2.791 2.887     . 0 0 "[    .   ]" 1 
       1778 1 108 MET H   1 109 MET H    2.904 .  3.958 2.473 2.355 2.772     . 0 0 "[    .   ]" 1 
       1779 1 108 MET HA  1 108 MET QB   2.351 .  3.042 2.307 2.173 2.473     . 0 0 "[    .   ]" 1 
       1780 1 108 MET HA  1 110 GLN QG   2.593 .  3.434 2.861 2.559 3.101     . 0 0 "[    .   ]" 1 
       1781 1 108 MET HA  1 111 ALA H    2.646 .  3.521 3.068 2.877 3.155     . 0 0 "[    .   ]" 1 
       1782 1 108 MET HA  1 111 ALA MB   2.202 .  2.808 2.712 2.337 2.915 0.107 6 0 "[    .   ]" 1 
       1783 1 108 MET ME  1 109 MET HA   3.498 .  5.027 3.617 3.098 4.592     . 0 0 "[    .   ]" 1 
       1784 1 108 MET ME  1 112 LEU MD2  4.067 .  6.134 2.446 1.799 4.515 0.201 6 0 "[    .   ]" 1 
       1785 1 109 MET H   1 110 GLN H    2.646 .  3.521 2.775 2.469 3.001     . 0 0 "[    .   ]" 1 
       1786 1 109 MET HA  1 109 MET ME   2.024 .  2.536 1.768 1.712 1.831     . 0 0 "[    .   ]" 1 
       1787 1 109 MET HA  1 110 GLN QG   3.906 .  5.813 4.909 4.872 4.940     . 0 0 "[    .   ]" 1 
       1788 1 109 MET HA  1 112 LEU HB2  2.422 .  3.155 2.866 2.814 2.929     . 0 0 "[    .   ]" 1 
       1789 1 109 MET HA  1 113 LEU HG   2.554 .  3.370 2.631 2.478 2.764     . 0 0 "[    .   ]" 1 
       1790 1 109 MET HA  1 113 LEU QD   2.802 .  3.784 2.345 2.162 2.569     . 0 0 "[    .   ]" 1 
       1791 1 109 MET QB  1 109 MET ME   2.604 .  3.451 3.091 2.851 3.203     . 0 0 "[    .   ]" 1 
       1792 1 109 MET QB  1 109 MET HG3  2.454 .  3.107 2.149 2.123 2.162     . 0 0 "[    .   ]" 1 
       1793 1 109 MET QB  1 113 LEU QD   2.785 .  3.754 2.178 1.847 2.357     . 0 0 "[    .   ]" 1 
       1794 1 109 MET QB  1 117 ALA MB   3.639 .  5.294 2.463 1.854 3.265 0.130 5 0 "[    .   ]" 1 
       1795 1 109 MET ME  1 109 MET HG3  2.458 .  3.213 3.295 3.266 3.353 0.140 1 0 "[    .   ]" 1 
       1796 1 109 MET ME  1 112 LEU MD2  4.808 .  7.697 4.464 3.712 5.259     . 0 0 "[    .   ]" 1 
       1797 1 109 MET ME  1 113 LEU QD   2.400 .  3.120 2.345 2.143 2.805     . 0 0 "[    .   ]" 1 
       1798 1 109 MET ME  1 117 ALA MB   3.493 .  5.018 4.553 4.147 5.088 0.070 7 0 "[    .   ]" 1 
       1799 1 109 MET HG3 1 113 LEU QD   4.351 .  6.717 3.810 3.687 3.929     . 0 0 "[    .   ]" 1 
       1800 1 110 GLN H   1 110 GLN HA   2.352 .  3.044 2.804 2.762 2.854     . 0 0 "[    .   ]" 1 
       1801 1 110 GLN H   1 111 ALA H    2.177 .  2.769 2.447 2.333 2.525     . 0 0 "[    .   ]" 1 
       1802 1 110 GLN HA  1 110 GLN QB   1.727 .  2.100 2.226 2.159 2.344 0.244 6 0 "[    .   ]" 1 
       1803 1 110 GLN HA  1 110 GLN QG   2.545 .  3.355 2.952 2.566 3.277     . 0 0 "[    .   ]" 1 
       1804 1 110 GLN HA  1 113 LEU HB2  3.090 .  4.283 3.718 3.315 4.224     . 0 0 "[    .   ]" 1 
       1805 1 110 GLN HA  1 113 LEU QD   2.886 .  3.927 4.503 3.993 5.343 1.416 8 4 "[-   .**+]" 1 
       1806 1 110 GLN HA  1 114 GLY H    2.091 .  2.637 2.532 2.350 2.705 0.068 5 0 "[    .   ]" 1 
       1807 1 110 GLN HA  1 117 ALA MB   2.548 .  3.359 3.034 2.478 3.331     . 0 0 "[    .   ]" 1 
       1808 1 110 GLN QB  1 111 ALA H    2.239 .  2.866 2.694 2.087 3.142 0.276 2 0 "[    .   ]" 1 
       1809 1 110 GLN QB  1 117 ALA MB   3.149 .  4.389 4.207 3.511 4.799 0.410 7 0 "[    .   ]" 1 
       1810 1 110 GLN QG  1 111 ALA MB   2.831 .  3.833 3.864 2.796 5.144 1.311 6 4 "[-   .+**]" 1 
       1811 1 111 ALA H   1 111 ALA HA   2.384 .  3.095 2.776 2.738 2.820     . 0 0 "[    .   ]" 1 
       1812 1 111 ALA H   1 111 ALA MB   2.113 .  2.671 2.223 2.214 2.245     . 0 0 "[    .   ]" 1 
       1813 1 111 ALA H   1 112 LEU H    3.009 .  4.141 2.815 2.692 2.912     . 0 0 "[    .   ]" 1 
       1814 1 111 ALA HA  1 111 ALA MB   1.995 .  2.493 2.124 2.117 2.133     . 0 0 "[    .   ]" 1 
       1815 1 111 ALA MB  1 112 LEU H    2.468 .  3.229 2.180 2.123 2.332     . 0 0 "[    .   ]" 1 
       1816 1 111 ALA MB  1 112 LEU MD2  2.926 .  3.996 2.775 1.963 3.882     . 0 0 "[    .   ]" 1 
       1817 1 112 LEU H   1 112 LEU HA   2.983 .  4.095 2.891 2.863 2.915     . 0 0 "[    .   ]" 1 
       1818 1 112 LEU H   1 113 LEU H    2.729 .  3.660 2.469 2.315 2.629     . 0 0 "[    .   ]" 1 
       1819 1 112 LEU HA  1 112 LEU HB2  2.266 .  2.908 2.965 2.940 2.977 0.069 4 0 "[    .   ]" 1 
       1820 1 112 LEU HA  1 112 LEU HB3  2.075 .  2.613 2.500 2.404 2.567     . 0 0 "[    .   ]" 1 
       1821 1 112 LEU HA  1 112 LEU MD2  2.088 .  2.633 2.524 1.983 2.800 0.167 3 0 "[    .   ]" 1 
       1822 1 112 LEU HA  1 112 LEU HG   2.571 .  3.397 3.353 2.845 3.682 0.285 6 0 "[    .   ]" 1 
       1823 1 112 LEU HA  1 113 LEU QD   2.625 .  3.486 2.407 1.939 3.276     . 0 0 "[    .   ]" 1 
       1824 1 112 LEU HB2 1 112 LEU MD2  2.370 .  3.072 2.594 2.217 3.123 0.051 7 0 "[    .   ]" 1 
       1825 1 112 LEU HB2 1 113 LEU H    2.640 .  3.511 2.088 1.915 2.293     . 0 0 "[    .   ]" 1 
       1826 1 112 LEU HB2 1 113 LEU HG   2.125 .  2.689 2.311 2.188 2.403     . 0 0 "[    .   ]" 1 
       1827 1 112 LEU HB3 1 112 LEU MD2  2.579 .  3.411 2.810 2.155 3.189     . 0 0 "[    .   ]" 1 
       1828 1 112 LEU HB3 1 113 LEU H    2.233 .  2.856 2.979 2.891 3.143 0.287 3 0 "[    .   ]" 1 
       1829 1 112 LEU HB3 1 113 LEU HG   2.095 .  2.644 2.739 2.564 2.847 0.203 6 0 "[    .   ]" 1 
       1830 1 112 LEU HB3 1 114 GLY H    4.270 .  6.549 3.498 3.428 3.626     . 0 0 "[    .   ]" 1 
       1831 1 112 LEU MD2 1 112 LEU HG   2.082 .  2.624 2.109 2.082 2.128     . 0 0 "[    .   ]" 1 
       1832 1 112 LEU MD2 1 113 LEU HG   3.317 .  4.693 4.713 4.446 4.958 0.265 8 0 "[    .   ]" 1 
       1833 1 113 LEU H   1 113 LEU HG   2.885 .  3.926 2.257 2.182 2.337     . 0 0 "[    .   ]" 1 
       1834 1 113 LEU H   1 114 GLY H    2.443 .  3.189 2.601 2.438 2.729     . 0 0 "[    .   ]" 1 
       1835 1 113 LEU HA  1 113 LEU HB3  2.344 .  3.031 2.459 2.397 2.497     . 0 0 "[    .   ]" 1 
       1836 1 113 LEU HA  1 113 LEU QD   1.870 .  2.307 2.103 1.973 2.378 0.071 2 0 "[    .   ]" 1 
       1837 1 113 LEU HB2 1 113 LEU QD   2.222 .  2.839 2.201 2.103 2.259     . 0 0 "[    .   ]" 1 
       1838 1 113 LEU HB3 1 113 LEU QD   2.216 .  2.830 2.107 2.048 2.141     . 0 0 "[    .   ]" 1 
       1839 1 113 LEU HB3 1 115 ALA MB   2.887 .  3.929 4.141 3.887 4.661 0.732 5 1 "[    +   ]" 1 
       1840 1 113 LEU HB3 1 117 ALA HA   3.084 .  4.273 3.325 2.723 3.875     . 0 0 "[    .   ]" 1 
       1841 1 113 LEU HB3 1 117 ALA MB   2.326 .  3.002 2.901 2.251 3.295 0.293 5 0 "[    .   ]" 1 
       1842 1 113 LEU QD  1 116 ARG HB2  2.754 .  3.702 3.408 2.089 4.299 0.597 6 1 "[    .+  ]" 1 
       1843 1 113 LEU QD  1 116 ARG QD   3.115 .  4.328 2.320 1.812 3.266 0.168 1 0 "[    .   ]" 1 
       1844 1 113 LEU QD  1 117 ALA HA   2.969 .  4.071 2.434 1.944 3.378     . 0 0 "[    .   ]" 1 
       1845 1 113 LEU QD  1 117 ALA MB   2.684 .  3.585 2.370 1.790 3.243 0.098 2 0 "[    .   ]" 1 
       1846 1 114 GLY HA3 1 115 ALA MB   2.862 .  3.886 3.870 3.590 4.013 0.127 6 0 "[    .   ]" 1 
       1847 1 115 ALA HA  1 115 ALA MB   1.971 .  2.457 2.128 2.118 2.137     . 0 0 "[    .   ]" 1 
       1848 1 115 ALA HA  1 118 LYS HD3  3.018 .  4.157 3.711 2.139 4.253 0.096 2 0 "[    .   ]" 1 
       1849 1 115 ALA HA  1 118 LYS QE   3.288 .  4.640 2.879 1.951 3.672     . 0 0 "[    .   ]" 1 
       1850 1 116 ARG HA  1 116 ARG HB2  2.088 .  2.633 2.585 2.363 2.966 0.333 7 0 "[    .   ]" 1 
       1851 1 116 ARG HA  1 116 ARG HB3  2.337 .  3.020 2.912 2.338 3.024 0.004 6 0 "[    .   ]" 1 
       1852 1 116 ARG HA  1 116 ARG QD   2.451 .  3.202 3.420 2.379 4.243 1.041 7 2 "[    . +-]" 1 
       1853 1 116 ARG HA  1 116 ARG QG   1.982 .  2.473 2.439 2.239 2.718 0.245 4 0 "[    .   ]" 1 
       1854 1 116 ARG HB3 1 116 ARG QD   2.296 .  2.955 2.482 2.223 3.141 0.186 4 0 "[    .   ]" 1 
       1855 1 116 ARG QD  1 116 ARG QG   1.760 .  2.147 2.059 2.008 2.088     . 0 0 "[    .   ]" 1 
       1856 1 117 ALA H   1 117 ALA MB   2.950 .  4.038 2.313 2.235 2.489     . 0 0 "[    .   ]" 1 
       1857 1 117 ALA HA  1 117 ALA MB   2.048 .  2.572 2.128 2.123 2.134     . 0 0 "[    .   ]" 1 
       1858 1 117 ALA HA  1 118 LYS H    3.165 .  4.417 2.644 2.252 2.803     . 0 0 "[    .   ]" 1 
       1859 1 117 ALA HA  1 118 LYS QE   4.057 .  6.114 5.145 4.486 5.495     . 0 0 "[    .   ]" 1 
       1860 1 117 ALA MB  1 118 LYS QE   3.072 .  4.252 3.181 2.423 3.816     . 0 0 "[    .   ]" 1 
       1861 1 118 LYS QE  1 119 GLY QA   4.172 .  6.347 5.603 4.736 6.901 0.554 1 1 "[+   .   ]" 1 
    stop_

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