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
400819 1v5q 10109 cing 4-filtered-FRED Wattos check violation distance


data_1v5q


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              1423
    _Distance_constraint_stats_list.Viol_count                    1862
    _Distance_constraint_stats_list.Viol_total                    3987.153
    _Distance_constraint_stats_list.Viol_max                      2.540
    _Distance_constraint_stats_list.Viol_rms                      0.0749
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0070
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1071
    _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   8 ALA  0.000 0.000  .  0 "[    .    1    .    2]" 
       1   9 GLY  0.037 0.017 10  0 "[    .    1    .    2]" 
       1  10 GLN  1.561 0.149 14  0 "[    .    1    .    2]" 
       1  11 VAL  2.863 0.368  5  0 "[    .    1    .    2]" 
       1  12 VAL  2.061 0.325  6  0 "[    .    1    .    2]" 
       1  13 HIS  3.102 0.704 13  4 "[*   .    1  +-.   *2]" 
       1  14 THR  1.135 0.080 16  0 "[    .    1    .    2]" 
       1  15 GLU  3.685 0.704 13  4 "[*   .    1  +-.   *2]" 
       1  16 THR  1.157 0.060 18  0 "[    .    1    .    2]" 
       1  17 THR  1.041 0.052  3  0 "[    .    1    .    2]" 
       1  18 GLU  5.912 0.960 17  3 "[  - .   *1    . +  2]" 
       1  19 VAL  3.256 0.401 17  0 "[    .    1    .    2]" 
       1  20 VAL  0.412 0.094  8  0 "[    .    1    .    2]" 
       1  21 LEU  2.533 0.716 19  3 "[    .    1  * -   +2]" 
       1  22 THR  0.998 0.106  8  0 "[    .    1    .    2]" 
       1  23 ALA  3.486 0.247 18  0 "[    .    1    .    2]" 
       1  24 ASP  4.525 0.293  9  0 "[    .    1    .    2]" 
       1  25 PRO  1.427 0.140 18  0 "[    .    1    .    2]" 
       1  26 VAL  4.365 0.293  9  0 "[    .    1    .    2]" 
       1  27 THR  2.105 0.094 18  0 "[    .    1    .    2]" 
       1  28 GLY  5.801 0.247 18  0 "[    .    1    .    2]" 
       1  29 PHE  0.281 0.058 15  0 "[    .    1    .    2]" 
       1  30 GLY  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  31 ILE  0.649 0.042 12  0 "[    .    1    .    2]" 
       1  32 GLN  1.074 0.135 16  0 "[    .    1    .    2]" 
       1  33 LEU  0.805 0.623 19  1 "[    .    1    .   +2]" 
       1  34 GLN  6.699 0.625  9  4 "[    -  *+1    .  * 2]" 
       1  35 GLY  0.229 0.216  9  0 "[    .    1    .    2]" 
       1  36 SER  4.004 0.521  6  1 "[    .+   1    .    2]" 
       1  37 VAL  0.780 0.196 10  0 "[    .    1    .    2]" 
       1  38 PHE  1.628 0.267  4  0 "[    .    1    .    2]" 
       1  39 ALA  2.931 0.521  6  1 "[    .+   1    .    2]" 
       1  40 THR  0.108 0.073 20  0 "[    .    1    .    2]" 
       1  41 GLU  1.753 0.115 15  0 "[    .    1    .    2]" 
       1  42 THR  3.978 0.138  8  0 "[    .    1    .    2]" 
       1  43 LEU  9.670 0.484  9  0 "[    .    1    .    2]" 
       1  44 SER  6.311 0.484  9  0 "[    .    1    .    2]" 
       1  45 SER  0.138 0.109 17  0 "[    .    1    .    2]" 
       1  46 PRO  0.016 0.016 11  0 "[    .    1    .    2]" 
       1  47 PRO  0.786 0.248 11  0 "[    .    1    .    2]" 
       1  48 LEU  1.178 0.248 11  0 "[    .    1    .    2]" 
       1  49 ILE  2.130 0.357  5  0 "[    .    1    .    2]" 
       1  50 SER  6.464 0.625  9  4 "[    -  *+1    .  * 2]" 
       1  51 TYR  3.236 0.135 16  0 "[    .    1    .    2]" 
       1  52 ILE  1.830 0.168 12  0 "[    .    1    .    2]" 
       1  53 GLU  0.334 0.037 15  0 "[    .    1    .    2]" 
       1  54 ALA  2.026 0.389 19  0 "[    .    1    .    2]" 
       1  55 ASP  1.845 0.389 19  0 "[    .    1    .    2]" 
       1  56 SER  1.497 0.065  1  0 "[    .    1    .    2]" 
       1  57 PRO  2.360 0.336 14  0 "[    .    1    .    2]" 
       1  58 ALA  0.666 0.056 12  0 "[    .    1    .    2]" 
       1  59 GLU  0.045 0.016 12  0 "[    .    1    .    2]" 
       1  60 ARG  0.489 0.336 14  0 "[    .    1    .    2]" 
       1  61 CYS 10.713 0.991 13  3 "[    .    1  + -   *2]" 
       1  62 GLY  5.598 0.317 18  0 "[    .    1    .    2]" 
       1  63 VAL  2.586 0.991 13  1 "[    .    1  + .    2]" 
       1  64 LEU  0.636 0.282 19  0 "[    .    1    .    2]" 
       1  65 GLN  3.045 0.168 12  0 "[    .    1    .    2]" 
       1  66 ILE  4.756 0.166 14  0 "[    .    1    .    2]" 
       1  67 GLY  0.687 0.109 19  0 "[    .    1    .    2]" 
       1  68 ASP  1.085 0.357  5  0 "[    .    1    .    2]" 
       1  69 ARG 61.722 2.540 20 20  [**-****************+]  
       1  70 VAL  0.142 0.033 16  0 "[    .    1    .    2]" 
       1  71 MET  0.309 0.063 17  0 "[    .    1    .    2]" 
       1  72 ALA  2.091 0.170 17  0 "[    .    1    .    2]" 
       1  73 ILE  3.379 0.202 11  0 "[    .    1    .    2]" 
       1  74 ASN  1.988 0.510  2  1 "[ +  .    1    .    2]" 
       1  75 GLY  1.531 0.170 17  0 "[    .    1    .    2]" 
       1  76 ILE  4.277 0.345 14  0 "[    .    1    .    2]" 
       1  77 PRO  2.668 0.345 14  0 "[    .    1    .    2]" 
       1  78 THR  0.526 0.137  5  0 "[    .    1    .    2]" 
       1  79 GLU  4.814 0.607 17  6 "[   *.  * 1-*  . +  *]" 
       1  80 ASP  4.814 0.607 17  6 "[   *.  * 1-*  . +  *]" 
       1  81 SER  6.548 0.895 19  2 "[    .    1    -   +2]" 
       1  82 THR  2.320 0.792 13  1 "[    .    1  + .    2]" 
       1  83 PHE  2.164 0.772  9  1 "[    .   +1    .    2]" 
       1  84 GLU  6.174 0.943 13  4 "[    .   *1* + . -  2]" 
       1  85 GLU  7.445 0.895 19  3 "[    .    1  * -   +2]" 
       1  86 ALA  0.678 0.431 13  0 "[    .    1    .    2]" 
       1  87 ASN  1.098 0.623 19  1 "[    .    1    .   +2]" 
       1  88 GLN  9.613 0.943 13  3 "[    .    1* + . -  2]" 
       1  89 LEU  4.137 0.510  2  1 "[ +  .    1    .    2]" 
       1  90 LEU  0.360 0.240 19  0 "[    .    1    .    2]" 
       1  91 ARG  5.535 0.403  1  0 "[    .    1    .    2]" 
       1  92 ASP  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  93 SER  0.041 0.026  2  0 "[    .    1    .    2]" 
       1  94 SER  0.022 0.019 17  0 "[    .    1    .    2]" 
       1  95 ILE  5.606 0.265 19  0 "[    .    1    .    2]" 
       1  96 THR  0.169 0.031  8  0 "[    .    1    .    2]" 
       1  97 SER  0.246 0.031  8  0 "[    .    1    .    2]" 
       1  98 LYS  0.227 0.039  8  0 "[    .    1    .    2]" 
       1  99 VAL  0.822 0.300 16  0 "[    .    1    .    2]" 
       1 100 THR  3.571 0.960 17  3 "[  - .   *1    . +  2]" 
       1 101 LEU  0.784 0.082 11  0 "[    .    1    .    2]" 
       1 102 GLU  1.115 0.153  7  0 "[    .    1    .    2]" 
       1 103 ILE 50.104 2.540 20 20  [**-****************+]  
       1 104 GLU  0.858 0.091 20  0 "[    .    1    .    2]" 
       1 105 PHE  1.238 0.134 20  0 "[    .    1    .    2]" 
       1 106 ASP  1.565 0.325  6  0 "[    .    1    .    2]" 
       1 107 VAL  0.707 0.120 16  0 "[    .    1    .    2]" 
       1 108 ALA  0.277 0.120 16  0 "[    .    1    .    2]" 
       1 109 GLU  4.380 0.518 11  1 "[    .    1+   .    2]" 
       1 110 SER  1.959 0.488  8  0 "[    .    1    .    2]" 
       1 111 VAL  0.544 0.262 16  0 "[    .    1    .    2]" 
       1 112 ILE  4.888 0.431 15  0 "[    .    1    .    2]" 
       1 113 PRO  4.089 0.431 15  0 "[    .    1    .    2]" 
    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   8 ALA MB   1   9 GLY H    . . 4.760 2.566 1.985 3.703     .  0  0 "[    .    1    .    2]" 1 
          2 1   9 GLY H    1  10 GLN H    . . 3.890 3.384 2.236 3.907 0.017 10  0 "[    .    1    .    2]" 1 
          3 1   9 GLY QA   1  10 GLN H    . . 3.280 2.298 2.171 2.684     .  0  0 "[    .    1    .    2]" 1 
          4 1   9 GLY QA   1  11 VAL QG   . . 4.370 4.156 2.597 4.379 0.009  5  0 "[    .    1    .    2]" 1 
          5 1  10 GLN H    1  10 GLN HB2  . . 4.040 2.941 2.028 4.089 0.049  5  0 "[    .    1    .    2]" 1 
          6 1  10 GLN H    1  10 GLN HB3  . . 3.550 3.221 2.383 3.642 0.092  4  0 "[    .    1    .    2]" 1 
          7 1  10 GLN H    1  10 GLN QG   . . 4.200 2.586 1.857 4.204 0.004  9  0 "[    .    1    .    2]" 1 
          8 1  10 GLN H    1  11 VAL H    . . 4.760 4.307 1.886 4.668     .  0  0 "[    .    1    .    2]" 1 
          9 1  10 GLN H    1  11 VAL QG   . . 4.960 4.241 2.529 4.824     .  0  0 "[    .    1    .    2]" 1 
         10 1  10 GLN HA   1  10 GLN QG   . . 3.840 2.714 1.984 3.353     .  0  0 "[    .    1    .    2]" 1 
         11 1  10 GLN HA   1  11 VAL H    . . 2.970 2.512 2.207 3.080 0.110 11  0 "[    .    1    .    2]" 1 
         12 1  10 GLN HA   1  11 VAL QG   . . 4.050 3.786 3.264 4.136 0.086 14  0 "[    .    1    .    2]" 1 
         13 1  10 GLN HB2  1  11 VAL H    . . 4.140 3.552 1.933 4.267 0.127 14  0 "[    .    1    .    2]" 1 
         14 1  10 GLN HB3  1  11 VAL H    . . 4.130 3.416 1.930 4.279 0.149 14  0 "[    .    1    .    2]" 1 
         15 1  10 GLN QG   1  11 VAL H    . . 4.670 3.826 1.925 4.662     .  0  0 "[    .    1    .    2]" 1 
         16 1  11 VAL H    1  11 VAL HB   . . 3.340 3.156 2.546 3.708 0.368  5  0 "[    .    1    .    2]" 1 
         17 1  11 VAL H    1  11 VAL QG   . . 3.350 2.686 1.787 3.168     .  0  0 "[    .    1    .    2]" 1 
         18 1  11 VAL HA   1  12 VAL H    . . 2.520 2.508 2.303 2.589 0.069  6  0 "[    .    1    .    2]" 1 
         19 1  11 VAL HA   1  12 VAL HA   . . 4.450 4.339 4.298 4.412     .  0  0 "[    .    1    .    2]" 1 
         20 1  11 VAL HA   1  12 VAL HB   . . 4.370 4.263 4.027 4.376 0.006 12  0 "[    .    1    .    2]" 1 
         21 1  11 VAL HB   1  12 VAL H    . . 3.840 3.751 2.441 3.885 0.045 15  0 "[    .    1    .    2]" 1 
         22 1  11 VAL QG   1  12 VAL H    . . 3.270 1.939 1.777 3.061     .  0  0 "[    .    1    .    2]" 1 
         23 1  11 VAL QG   1  12 VAL HA   . . 4.370 3.669 3.387 4.091     .  0  0 "[    .    1    .    2]" 1 
         24 1  12 VAL H    1  12 VAL HB   . . 3.230 2.590 2.295 2.909     .  0  0 "[    .    1    .    2]" 1 
         25 1  12 VAL H    1  12 VAL MG1  . . 3.840 2.197 1.971 2.473     .  0  0 "[    .    1    .    2]" 1 
         26 1  12 VAL H    1  13 HIS H    . . 4.670 4.574 4.490 4.621     .  0  0 "[    .    1    .    2]" 1 
         27 1  12 VAL HA   1  12 VAL MG1  . . 3.260 3.204 3.153 3.217     .  0  0 "[    .    1    .    2]" 1 
         28 1  12 VAL HA   1  12 VAL MG2  . . 3.500 2.195 2.054 2.288     .  0  0 "[    .    1    .    2]" 1 
         29 1  12 VAL HA   1  13 HIS H    . . 2.970 2.459 2.443 2.471     .  0  0 "[    .    1    .    2]" 1 
         30 1  12 VAL HB   1  13 HIS H    . . 3.980 3.990 3.968 4.085 0.105 13  0 "[    .    1    .    2]" 1 
         31 1  12 VAL HB   1 109 GLU QG   . . 3.600 3.176 2.512 3.600     .  0  0 "[    .    1    .    2]" 1 
         32 1  12 VAL MG1  1  13 HIS H    . . 3.640 3.268 2.791 3.362     .  0  0 "[    .    1    .    2]" 1 
         33 1  12 VAL MG1  1  14 THR H    . . 5.090 5.047 4.674 5.094 0.004  3  0 "[    .    1    .    2]" 1 
         34 1  12 VAL MG1  1 106 ASP HB2  . . 3.530 3.470 3.117 3.855 0.325  6  0 "[    .    1    .    2]" 1 
         35 1  12 VAL MG1  1 106 ASP HB3  . . 3.840 3.498 2.339 3.860 0.020 20  0 "[    .    1    .    2]" 1 
         36 1  12 VAL MG1  1 107 VAL H    . . 3.970 3.801 3.386 3.965     .  0  0 "[    .    1    .    2]" 1 
         37 1  12 VAL MG1  1 109 GLU QG   . . 4.540 4.184 3.794 4.464     .  0  0 "[    .    1    .    2]" 1 
         38 1  12 VAL MG2  1  13 HIS H    . . 3.690 1.950 1.890 2.093     .  0  0 "[    .    1    .    2]" 1 
         39 1  12 VAL MG2  1 106 ASP HB2  . . 4.240 3.538 3.068 4.285 0.045 15  0 "[    .    1    .    2]" 1 
         40 1  12 VAL MG2  1 106 ASP HB3  . . 4.540 4.162 3.135 4.546 0.006 13  0 "[    .    1    .    2]" 1 
         41 1  12 VAL MG2  1 107 VAL H    . . 4.200 2.692 2.423 3.083     .  0  0 "[    .    1    .    2]" 1 
         42 1  12 VAL MG2  1 109 GLU H    . . 4.280 3.431 2.820 4.022     .  0  0 "[    .    1    .    2]" 1 
         43 1  12 VAL MG2  1 109 GLU HB2  . . 4.540 3.553 2.091 4.446     .  0  0 "[    .    1    .    2]" 1 
         44 1  12 VAL MG2  1 109 GLU HB3  . . 4.540 3.871 2.368 4.527     .  0  0 "[    .    1    .    2]" 1 
         45 1  12 VAL MG2  1 109 GLU QG   . . 3.970 2.033 1.764 2.549     .  0  0 "[    .    1    .    2]" 1 
         46 1  13 HIS H    1  13 HIS HB2  . . 3.810 3.703 3.642 3.798     .  0  0 "[    .    1    .    2]" 1 
         47 1  13 HIS H    1  13 HIS HB3  . . 3.980 2.946 2.783 3.145     .  0  0 "[    .    1    .    2]" 1 
         48 1  13 HIS H    1 107 VAL H    . . 4.010 3.997 3.890 4.023 0.013 12  0 "[    .    1    .    2]" 1 
         49 1  13 HIS H    1 107 VAL HB   . . 4.530 3.990 3.566 4.647 0.117 16  0 "[    .    1    .    2]" 1 
         50 1  13 HIS HA   1  14 THR H    . . 3.000 2.497 2.470 2.517     .  0  0 "[    .    1    .    2]" 1 
         51 1  13 HIS HB2  1  13 HIS HD2  . . 3.460 2.807 2.738 2.927     .  0  0 "[    .    1    .    2]" 1 
         52 1  13 HIS HB2  1  14 THR H    . . 3.550 2.466 2.426 2.514     .  0  0 "[    .    1    .    2]" 1 
         53 1  13 HIS HB3  1  14 THR H    . . 3.840 3.838 3.803 3.865 0.025 20  0 "[    .    1    .    2]" 1 
         54 1  13 HIS HD2  1  14 THR H    . . 3.890 3.730 3.387 3.890     .  0  0 "[    .    1    .    2]" 1 
         55 1  13 HIS HD2  1  15 GLU HG2  . . 3.840 3.273 2.504 3.831     .  0  0 "[    .    1    .    2]" 1 
         56 1  13 HIS HD2  1  15 GLU HG3  . . 3.140 2.787 2.074 3.844 0.704 13  4 "[*   .    1  +-.   *2]" 1 
         57 1  13 HIS HD2  1 107 VAL QG   . . 4.030 2.633 2.053 3.148     .  0  0 "[    .    1    .    2]" 1 
         58 1  13 HIS HE1  1 107 VAL HB   . . 4.030 3.409 2.688 4.044 0.014 20  0 "[    .    1    .    2]" 1 
         59 1  13 HIS HE1  1 107 VAL QG   . . 3.140 2.902 2.357 3.086     .  0  0 "[    .    1    .    2]" 1 
         60 1  14 THR H    1  14 THR HB   . . 3.680 3.620 3.552 3.650     .  0  0 "[    .    1    .    2]" 1 
         61 1  14 THR H    1  14 THR MG   . . 3.500 3.192 3.053 3.338     .  0  0 "[    .    1    .    2]" 1 
         62 1  14 THR H    1  15 GLU H    . . 4.470 4.426 4.373 4.495 0.025 19  0 "[    .    1    .    2]" 1 
         63 1  14 THR HA   1  14 THR MG   . . 3.180 2.292 2.226 2.332     .  0  0 "[    .    1    .    2]" 1 
         64 1  14 THR HA   1  15 GLU H    . . 3.130 2.244 2.188 2.363     .  0  0 "[    .    1    .    2]" 1 
         65 1  14 THR HA   1 106 ASP HA   . . 4.140 2.645 2.208 3.249     .  0  0 "[    .    1    .    2]" 1 
         66 1  14 THR HA   1 107 VAL H    . . 3.980 3.263 2.913 3.516     .  0  0 "[    .    1    .    2]" 1 
         67 1  14 THR HA   1 107 VAL QG   . . 3.970 2.679 2.006 3.162     .  0  0 "[    .    1    .    2]" 1 
         68 1  14 THR HB   1  15 GLU H    . . 3.370 3.155 2.785 3.372 0.002 16  0 "[    .    1    .    2]" 1 
         69 1  14 THR HB   1 104 GLU HB2  . . 4.540 4.559 4.526 4.583 0.043 16  0 "[    .    1    .    2]" 1 
         70 1  14 THR HB   1 104 GLU HG2  . . 3.530 3.316 3.046 3.542 0.012 16  0 "[    .    1    .    2]" 1 
         71 1  14 THR HB   1 104 GLU HG3  . . 3.470 2.339 2.171 2.644     .  0  0 "[    .    1    .    2]" 1 
         72 1  14 THR HB   1 105 PHE H    . . 4.850 4.014 3.816 4.389     .  0  0 "[    .    1    .    2]" 1 
         73 1  14 THR MG   1  15 GLU H    . . 3.640 3.666 3.595 3.720 0.080 16  0 "[    .    1    .    2]" 1 
         74 1  14 THR MG   1 104 GLU HG2  . . 3.780 3.452 3.313 3.586     .  0  0 "[    .    1    .    2]" 1 
         75 1  14 THR MG   1 104 GLU HG3  . . 3.530 3.356 3.246 3.444     .  0  0 "[    .    1    .    2]" 1 
         76 1  14 THR MG   1 105 PHE H    . . 4.600 4.371 3.906 4.590     .  0  0 "[    .    1    .    2]" 1 
         77 1  14 THR MG   1 106 ASP HA   . . 3.730 2.115 1.908 2.324     .  0  0 "[    .    1    .    2]" 1 
         78 1  14 THR MG   1 107 VAL H    . . 4.140 3.653 3.130 3.937     .  0  0 "[    .    1    .    2]" 1 
         79 1  15 GLU H    1  15 GLU HB2  . . 3.660 2.462 2.296 2.638     .  0  0 "[    .    1    .    2]" 1 
         80 1  15 GLU H    1  15 GLU HG2  . . 4.540 3.924 3.685 4.144     .  0  0 "[    .    1    .    2]" 1 
         81 1  15 GLU H    1  15 GLU HG3  . . 4.280 3.603 2.869 4.519 0.239 13  0 "[    .    1    .    2]" 1 
         82 1  15 GLU H    1  16 THR H    . . 4.850 4.489 4.417 4.541     .  0  0 "[    .    1    .    2]" 1 
         83 1  15 GLU H    1 104 GLU HA   . . 5.090 4.591 4.290 4.738     .  0  0 "[    .    1    .    2]" 1 
         84 1  15 GLU H    1 105 PHE H    . . 3.830 3.095 2.747 3.417     .  0  0 "[    .    1    .    2]" 1 
         85 1  15 GLU H    1 106 ASP HA   . . 4.960 3.838 3.471 4.492     .  0  0 "[    .    1    .    2]" 1 
         86 1  15 GLU H    1 107 VAL QG   . . 4.530 2.711 2.124 3.204     .  0  0 "[    .    1    .    2]" 1 
         87 1  15 GLU HA   1  15 GLU HG2  . . 3.840 2.203 1.999 2.411     .  0  0 "[    .    1    .    2]" 1 
         88 1  15 GLU HA   1  15 GLU HG3  . . 3.730 3.208 2.892 3.528     .  0  0 "[    .    1    .    2]" 1 
         89 1  15 GLU HA   1  16 THR H    . . 3.070 2.437 2.305 2.766     .  0  0 "[    .    1    .    2]" 1 
         90 1  15 GLU HA   1  16 THR MG   . . 4.090 3.900 3.623 4.118 0.028 16  0 "[    .    1    .    2]" 1 
         91 1  15 GLU HB2  1  16 THR H    . . 4.050 3.987 3.581 4.077 0.027 20  0 "[    .    1    .    2]" 1 
         92 1  15 GLU HB2  1 105 PHE QE   . . 4.370 2.839 2.209 3.713     .  0  0 "[    .    1    .    2]" 1 
         93 1  15 GLU HB2  1 105 PHE HZ   . . 4.370 3.073 2.067 3.723     .  0  0 "[    .    1    .    2]" 1 
         94 1  15 GLU HB2  1 107 VAL QG   . . 3.970 2.446 1.955 2.741     .  0  0 "[    .    1    .    2]" 1 
         95 1  15 GLU HB3  1  16 THR H    . . 3.440 2.698 2.033 2.975     .  0  0 "[    .    1    .    2]" 1 
         96 1  15 GLU HB3  1 105 PHE QE   . . 4.370 3.309 2.707 4.186     .  0  0 "[    .    1    .    2]" 1 
         97 1  15 GLU HB3  1 105 PHE HZ   . . 4.370 2.740 2.129 3.912     .  0  0 "[    .    1    .    2]" 1 
         98 1  15 GLU HB3  1 107 VAL QG   . . 3.900 3.693 3.256 3.875     .  0  0 "[    .    1    .    2]" 1 
         99 1  15 GLU HG2  1  16 THR H    . . 4.320 3.840 3.472 4.249     .  0  0 "[    .    1    .    2]" 1 
        100 1  15 GLU HG3  1  16 THR H    . . 5.310 4.817 4.238 5.183     .  0  0 "[    .    1    .    2]" 1 
        101 1  15 GLU HG3  1 107 VAL QG   . . 3.500 2.235 1.844 2.987     .  0  0 "[    .    1    .    2]" 1 
        102 1  16 THR H    1  16 THR HB   . . 3.680 3.485 3.376 3.669     .  0  0 "[    .    1    .    2]" 1 
        103 1  16 THR H    1  16 THR MG   . . 3.300 3.164 2.984 3.300     .  0  0 "[    .    1    .    2]" 1 
        104 1  16 THR H    1  17 THR H    . . 4.530 4.511 4.386 4.565 0.035  7  0 "[    .    1    .    2]" 1 
        105 1  16 THR HA   1  16 THR MG   . . 3.230 2.291 2.216 2.331     .  0  0 "[    .    1    .    2]" 1 
        106 1  16 THR HA   1  17 THR H    . . 3.040 2.271 2.206 2.380     .  0  0 "[    .    1    .    2]" 1 
        107 1  16 THR HA   1  17 THR MG   . . 4.370 3.731 3.473 3.892     .  0  0 "[    .    1    .    2]" 1 
        108 1  16 THR HA   1 104 GLU HA   . . 3.420 2.301 2.036 2.566     .  0  0 "[    .    1    .    2]" 1 
        109 1  16 THR HA   1 104 GLU HB2  . . 4.540 3.633 3.122 4.108     .  0  0 "[    .    1    .    2]" 1 
        110 1  16 THR HA   1 105 PHE H    . . 4.140 3.612 3.297 4.148 0.008 16  0 "[    .    1    .    2]" 1 
        111 1  16 THR HA   1 105 PHE QD   . . 4.540 3.557 3.250 4.325     .  0  0 "[    .    1    .    2]" 1 
        112 1  16 THR HB   1  17 THR H    . . 3.370 3.111 2.799 3.372 0.002 16  0 "[    .    1    .    2]" 1 
        113 1  16 THR HB   1 102 GLU HG2  . . 4.140 3.231 2.053 3.898     .  0  0 "[    .    1    .    2]" 1 
        114 1  16 THR HB   1 102 GLU HG3  . . 4.050 2.691 2.388 3.150     .  0  0 "[    .    1    .    2]" 1 
        115 1  16 THR HB   1 103 ILE H    . . 4.760 4.460 4.120 4.724     .  0  0 "[    .    1    .    2]" 1 
        116 1  16 THR MG   1  17 THR H    . . 3.680 3.518 3.346 3.686 0.006  8  0 "[    .    1    .    2]" 1 
        117 1  16 THR MG   1  71 MET ME   . . 4.050 3.779 2.853 4.090 0.040 14  0 "[    .    1    .    2]" 1 
        118 1  16 THR MG   1  71 MET QG   . . 3.780 2.530 1.862 2.940     .  0  0 "[    .    1    .    2]" 1 
        119 1  16 THR MG   1 102 GLU HG2  . . 3.120 2.813 2.384 3.159 0.039 10  0 "[    .    1    .    2]" 1 
        120 1  16 THR MG   1 102 GLU HG3  . . 3.780 3.223 2.833 3.581     .  0  0 "[    .    1    .    2]" 1 
        121 1  16 THR MG   1 103 ILE H    . . 4.240 4.271 4.241 4.300 0.060 18  0 "[    .    1    .    2]" 1 
        122 1  16 THR MG   1 104 GLU HA   . . 3.600 2.770 2.451 3.046     .  0  0 "[    .    1    .    2]" 1 
        123 1  16 THR MG   1 104 GLU HB2  . . 4.540 2.212 1.890 2.733     .  0  0 "[    .    1    .    2]" 1 
        124 1  16 THR MG   1 104 GLU HG3  . . 4.370 3.564 3.089 4.062     .  0  0 "[    .    1    .    2]" 1 
        125 1  16 THR MG   1 105 PHE H    . . 4.760 4.215 3.837 4.603     .  0  0 "[    .    1    .    2]" 1 
        126 1  17 THR H    1  17 THR HB   . . 4.140 3.073 2.858 3.294     .  0  0 "[    .    1    .    2]" 1 
        127 1  17 THR H    1  17 THR MG   . . 3.500 2.291 2.079 2.495     .  0  0 "[    .    1    .    2]" 1 
        128 1  17 THR H    1 102 GLU HA   . . 4.760 4.164 3.849 4.571     .  0  0 "[    .    1    .    2]" 1 
        129 1  17 THR H    1 103 ILE H    . . 3.830 2.769 2.636 2.954     .  0  0 "[    .    1    .    2]" 1 
        130 1  17 THR H    1 103 ILE HA   . . 4.760 4.633 4.537 4.728     .  0  0 "[    .    1    .    2]" 1 
        131 1  17 THR H    1 103 ILE HB   . . 4.600 3.386 3.073 3.660     .  0  0 "[    .    1    .    2]" 1 
        132 1  17 THR H    1 103 ILE MG   . . 4.960 4.287 4.108 4.432     .  0  0 "[    .    1    .    2]" 1 
        133 1  17 THR H    1 104 GLU HA   . . 4.370 3.691 3.558 3.935     .  0  0 "[    .    1    .    2]" 1 
        134 1  17 THR H    1 105 PHE QE   . . 4.850 2.989 2.432 3.886     .  0  0 "[    .    1    .    2]" 1 
        135 1  17 THR HA   1  18 GLU H    . . 3.300 2.302 2.228 2.459     .  0  0 "[    .    1    .    2]" 1 
        136 1  17 THR HB   1  18 GLU H    . . 4.240 4.087 3.820 4.260 0.020 12  0 "[    .    1    .    2]" 1 
        137 1  17 THR HB   1 105 PHE QE   . . 3.520 2.061 1.996 2.313     .  0  0 "[    .    1    .    2]" 1 
        138 1  17 THR MG   1  18 GLU H    . . 3.680 3.679 3.523 3.713 0.033 19  0 "[    .    1    .    2]" 1 
        139 1  17 THR MG   1  18 GLU HA   . . 4.370 3.900 3.766 4.016     .  0  0 "[    .    1    .    2]" 1 
        140 1  17 THR MG   1  63 VAL HB   . . 4.140 3.992 3.286 4.152 0.012 12  0 "[    .    1    .    2]" 1 
        141 1  17 THR MG   1 103 ILE H    . . 4.240 2.694 2.389 3.044     .  0  0 "[    .    1    .    2]" 1 
        142 1  17 THR MG   1 103 ILE HB   . . 3.570 1.978 1.833 2.112     .  0  0 "[    .    1    .    2]" 1 
        143 1  17 THR MG   1 103 ILE HG12 . . 3.600 3.417 2.897 3.631 0.031 16  0 "[    .    1    .    2]" 1 
        144 1  17 THR MG   1 103 ILE HG13 . . 3.970 3.269 2.775 3.745     .  0  0 "[    .    1    .    2]" 1 
        145 1  17 THR MG   1 103 ILE MG   . . 2.930 2.936 2.765 2.982 0.052  3  0 "[    .    1    .    2]" 1 
        146 1  17 THR MG   1 105 PHE QD   . . 3.460 2.860 2.528 3.184     .  0  0 "[    .    1    .    2]" 1 
        147 1  17 THR MG   1 105 PHE QE   . . 3.310 2.741 2.331 3.330 0.020 16  0 "[    .    1    .    2]" 1 
        148 1  18 GLU H    1  18 GLU HB2  . . 3.680 2.926 2.296 3.296     .  0  0 "[    .    1    .    2]" 1 
        149 1  18 GLU H    1  18 GLU HB3  . . 3.730 2.643 2.315 3.497     .  0  0 "[    .    1    .    2]" 1 
        150 1  18 GLU H    1  18 GLU HG2  . . 4.850 4.306 3.922 4.764     .  0  0 "[    .    1    .    2]" 1 
        151 1  18 GLU H    1  19 VAL H    . . 4.760 4.356 4.179 4.488     .  0  0 "[    .    1    .    2]" 1 
        152 1  18 GLU HA   1  18 GLU HG2  . . 3.840 3.018 2.628 3.660     .  0  0 "[    .    1    .    2]" 1 
        153 1  18 GLU HA   1  18 GLU HG3  . . 4.140 2.790 2.141 3.517     .  0  0 "[    .    1    .    2]" 1 
        154 1  18 GLU HA   1  19 VAL H    . . 2.950 2.206 2.202 2.217     .  0  0 "[    .    1    .    2]" 1 
        155 1  18 GLU HA   1  19 VAL HB   . . 4.760 4.651 4.263 4.782 0.022 17  0 "[    .    1    .    2]" 1 
        156 1  18 GLU HA   1  19 VAL QG   . . 4.240 3.545 3.335 4.096     .  0  0 "[    .    1    .    2]" 1 
        157 1  18 GLU HA   1 100 THR MG   . . 4.240 3.443 2.990 3.835     .  0  0 "[    .    1    .    2]" 1 
        158 1  18 GLU HA   1 101 LEU H    . . 5.100 4.305 3.724 4.866     .  0  0 "[    .    1    .    2]" 1 
        159 1  18 GLU HA   1 102 GLU HA   . . 3.390 3.035 2.742 3.352     .  0  0 "[    .    1    .    2]" 1 
        160 1  18 GLU HA   1 103 ILE H    . . 3.970 3.904 3.608 4.004 0.034 20  0 "[    .    1    .    2]" 1 
        161 1  18 GLU HB2  1  19 VAL H    . . 4.240 4.328 4.144 4.641 0.401 17  0 "[    .    1    .    2]" 1 
        162 1  18 GLU HB2  1 100 THR MG   . . 3.500 3.542 3.046 4.460 0.960 17  3 "[  - .   *1    . +  2]" 1 
        163 1  18 GLU HG2  1  19 VAL H    . . 4.240 3.485 2.522 4.276 0.036  9  0 "[    .    1    .    2]" 1 
        164 1  18 GLU HG2  1 100 THR MG   . . 3.420 2.628 1.840 3.422 0.002  4  0 "[    .    1    .    2]" 1 
        165 1  18 GLU HG3  1  19 VAL H    . . 4.280 3.717 2.897 4.289 0.009  5  0 "[    .    1    .    2]" 1 
        166 1  18 GLU HG3  1 100 THR MG   . . 3.300 2.262 1.766 3.269     .  0  0 "[    .    1    .    2]" 1 
        167 1  19 VAL H    1  19 VAL HB   . . 3.570 2.600 2.522 2.692     .  0  0 "[    .    1    .    2]" 1 
        168 1  19 VAL H    1  19 VAL QG   . . 3.760 2.302 1.955 2.485     .  0  0 "[    .    1    .    2]" 1 
        169 1  19 VAL H    1  20 VAL H    . . 4.850 4.429 4.202 4.577     .  0  0 "[    .    1    .    2]" 1 
        170 1  19 VAL H    1 100 THR HA   . . 5.090 3.902 3.670 4.139     .  0  0 "[    .    1    .    2]" 1 
        171 1  19 VAL H    1 100 THR MG   . . 4.320 3.591 3.017 4.006     .  0  0 "[    .    1    .    2]" 1 
        172 1  19 VAL H    1 101 LEU H    . . 3.960 2.726 2.331 3.141     .  0  0 "[    .    1    .    2]" 1 
        173 1  19 VAL H    1 101 LEU QB   . . 4.760 3.447 3.276 3.683     .  0  0 "[    .    1    .    2]" 1 
        174 1  19 VAL H    1 102 GLU HA   . . 4.280 3.967 3.669 4.265     .  0  0 "[    .    1    .    2]" 1 
        175 1  19 VAL H    1 103 ILE H    . . 4.600 4.541 4.303 4.632 0.032 20  0 "[    .    1    .    2]" 1 
        176 1  19 VAL HA   1  19 VAL QG   . . 3.280 2.103 2.015 2.244     .  0  0 "[    .    1    .    2]" 1 
        177 1  19 VAL HA   1  20 VAL H    . . 2.940 2.212 2.182 2.346     .  0  0 "[    .    1    .    2]" 1 
        178 1  19 VAL HA   1  20 VAL HB   . . 4.370 4.365 4.165 4.464 0.094  8  0 "[    .    1    .    2]" 1 
        179 1  19 VAL HA   1  20 VAL QG   . . 4.050 3.810 3.645 3.942     .  0  0 "[    .    1    .    2]" 1 
        180 1  19 VAL HA   1 101 LEU H    . . 5.440 4.693 4.426 4.899     .  0  0 "[    .    1    .    2]" 1 
        181 1  19 VAL HB   1  20 VAL H    . . 4.370 4.244 4.008 4.411 0.041 12  0 "[    .    1    .    2]" 1 
        182 1  19 VAL HB   1 101 LEU H    . . 4.240 3.225 2.535 4.322 0.082 11  0 "[    .    1    .    2]" 1 
        183 1  19 VAL HB   1 101 LEU QB   . . 4.240 2.542 2.068 3.776     .  0  0 "[    .    1    .    2]" 1 
        184 1  19 VAL HB   1 101 LEU QD   . . 4.050 3.360 2.424 4.130 0.080 12  0 "[    .    1    .    2]" 1 
        185 1  19 VAL QG   1  20 VAL H    . . 3.440 2.675 2.208 3.087     .  0  0 "[    .    1    .    2]" 1 
        186 1  19 VAL QG   1 101 LEU H    . . 4.370 3.158 1.869 3.789     .  0  0 "[    .    1    .    2]" 1 
        187 1  19 VAL QG   1 101 LEU QB   . . 3.470 2.449 1.736 2.847     .  0  0 "[    .    1    .    2]" 1 
        188 1  19 VAL QG   1 102 GLU HA   . . 4.760 4.333 3.748 4.754     .  0  0 "[    .    1    .    2]" 1 
        189 1  20 VAL H    1  20 VAL HB   . . 3.280 2.561 2.311 3.034     .  0  0 "[    .    1    .    2]" 1 
        190 1  20 VAL H    1  20 VAL QG   . . 3.300 2.490 1.983 2.915     .  0  0 "[    .    1    .    2]" 1 
        191 1  20 VAL H    1  21 LEU H    . . 4.850 4.203 3.979 4.402     .  0  0 "[    .    1    .    2]" 1 
        192 1  20 VAL HA   1  20 VAL QG   . . 3.150 2.118 2.036 2.328     .  0  0 "[    .    1    .    2]" 1 
        193 1  20 VAL HA   1  21 LEU H    . . 3.060 2.202 2.182 2.228     .  0  0 "[    .    1    .    2]" 1 
        194 1  20 VAL HA   1  99 VAL H    . . 4.670 3.715 3.478 4.215     .  0  0 "[    .    1    .    2]" 1 
        195 1  20 VAL HB   1  21 LEU H    . . 4.850 4.532 4.438 4.599     .  0  0 "[    .    1    .    2]" 1 
        196 1  20 VAL QG   1  21 LEU H    . . 3.500 3.062 2.780 3.240     .  0  0 "[    .    1    .    2]" 1 
        197 1  20 VAL QG   1  98 LYS QB   . . 3.640 3.474 2.118 3.602     .  0  0 "[    .    1    .    2]" 1 
        198 1  20 VAL QG   1  98 LYS QD   . . 3.300 2.450 1.938 3.208     .  0  0 "[    .    1    .    2]" 1 
        199 1  20 VAL QG   1  98 LYS QE   . . 3.390 2.063 1.717 2.523     .  0  0 "[    .    1    .    2]" 1 
        200 1  20 VAL QG   1  98 LYS QG   . . 3.260 1.893 1.784 2.077     .  0  0 "[    .    1    .    2]" 1 
        201 1  20 VAL QG   1  99 VAL H    . . 4.600 3.476 3.030 3.934     .  0  0 "[    .    1    .    2]" 1 
        202 1  21 LEU H    1  21 LEU HB2  . . 4.050 2.585 2.456 2.734     .  0  0 "[    .    1    .    2]" 1 
        203 1  21 LEU H    1  21 LEU QD   . . 4.240 3.194 2.245 3.501     .  0  0 "[    .    1    .    2]" 1 
        204 1  21 LEU H    1  21 LEU HG   . . 4.160 2.920 2.512 4.220 0.060 17  0 "[    .    1    .    2]" 1 
        205 1  21 LEU H    1  22 THR H    . . 4.850 4.454 4.231 4.549     .  0  0 "[    .    1    .    2]" 1 
        206 1  21 LEU H    1  98 LYS HA   . . 4.760 4.194 3.792 4.451     .  0  0 "[    .    1    .    2]" 1 
        207 1  21 LEU H    1  99 VAL H    . . 3.940 2.640 2.425 2.858     .  0  0 "[    .    1    .    2]" 1 
        208 1  21 LEU H    1  99 VAL QG   . . 4.370 2.331 2.124 2.673     .  0  0 "[    .    1    .    2]" 1 
        209 1  21 LEU HA   1  21 LEU QD   . . 3.040 2.208 1.894 2.476     .  0  0 "[    .    1    .    2]" 1 
        210 1  21 LEU HA   1  21 LEU HG   . . 4.140 3.108 2.982 3.550     .  0  0 "[    .    1    .    2]" 1 
        211 1  21 LEU HA   1  22 THR H    . . 3.120 2.227 2.180 2.274     .  0  0 "[    .    1    .    2]" 1 
        212 1  21 LEU HB2  1  22 THR H    . . 4.540 4.130 3.965 4.511     .  0  0 "[    .    1    .    2]" 1 
        213 1  21 LEU HB2  1  29 PHE QD   . . 3.670 2.468 1.964 3.029     .  0  0 "[    .    1    .    2]" 1 
        214 1  21 LEU HB2  1  99 VAL QG   . . 3.640 2.028 1.848 2.169     .  0  0 "[    .    1    .    2]" 1 
        215 1  21 LEU HB3  1  21 LEU QD   . . 3.080 2.166 2.020 2.580     .  0  0 "[    .    1    .    2]" 1 
        216 1  21 LEU HB3  1  22 THR H    . . 4.240 3.217 2.987 3.881     .  0  0 "[    .    1    .    2]" 1 
        217 1  21 LEU HB3  1  29 PHE QD   . . 3.520 2.696 2.356 2.918     .  0  0 "[    .    1    .    2]" 1 
        218 1  21 LEU HB3  1  57 PRO HB2  . . 4.370 2.573 2.334 2.693     .  0  0 "[    .    1    .    2]" 1 
        219 1  21 LEU HB3  1  57 PRO HB3  . . 4.240 4.164 3.845 4.271 0.031 18  0 "[    .    1    .    2]" 1 
        220 1  21 LEU HB3  1  99 VAL QG   . . 4.370 3.390 3.168 3.522     .  0  0 "[    .    1    .    2]" 1 
        221 1  21 LEU QD   1  22 THR H    . . 3.780 3.637 3.498 3.706     .  0  0 "[    .    1    .    2]" 1 
        222 1  21 LEU QD   1  29 PHE HA   . . 4.540 3.463 3.238 3.873     .  0  0 "[    .    1    .    2]" 1 
        223 1  21 LEU QD   1  29 PHE HB2  . . 4.140 4.111 4.091 4.160 0.020  8  0 "[    .    1    .    2]" 1 
        224 1  21 LEU QD   1  29 PHE HB3  . . 3.680 2.617 2.561 2.730     .  0  0 "[    .    1    .    2]" 1 
        225 1  21 LEU QD   1  29 PHE QD   . . 3.410 3.236 3.000 3.400     .  0  0 "[    .    1    .    2]" 1 
        226 1  21 LEU QD   1  57 PRO HA   . . 4.370 3.767 3.581 4.008     .  0  0 "[    .    1    .    2]" 1 
        227 1  21 LEU QD   1  57 PRO HB2  . . 3.840 2.406 2.109 2.585     .  0  0 "[    .    1    .    2]" 1 
        228 1  21 LEU QD   1  57 PRO HB3  . . 3.970 3.817 3.621 3.944     .  0  0 "[    .    1    .    2]" 1 
        229 1  21 LEU QD   1  58 ALA H    . . 4.370 3.299 3.056 3.689     .  0  0 "[    .    1    .    2]" 1 
        230 1  21 LEU QD   1  58 ALA HA   . . 3.350 1.837 1.706 2.173     .  0  0 "[    .    1    .    2]" 1 
        231 1  21 LEU QD   1  61 CYS H    . . 4.530 3.593 3.335 3.913     .  0  0 "[    .    1    .    2]" 1 
        232 1  21 LEU QD   1  61 CYS HB2  . . 3.570 3.193 2.356 4.286 0.716 19  3 "[    .    1  * -   +2]" 1 
        233 1  21 LEU QD   1  99 VAL QG   . . 3.300 2.477 1.817 2.781     .  0  0 "[    .    1    .    2]" 1 
        234 1  21 LEU HG   1  22 THR H    . . 5.350 5.129 5.029 5.456 0.106  8  0 "[    .    1    .    2]" 1 
        235 1  21 LEU HG   1  99 VAL QG   . . 3.730 3.349 3.125 3.829 0.099  8  0 "[    .    1    .    2]" 1 
        236 1  22 THR H    1  22 THR HB   . . 3.060 2.649 2.587 2.714     .  0  0 "[    .    1    .    2]" 1 
        237 1  22 THR H    1  22 THR MG   . . 3.890 3.756 3.595 3.809     .  0  0 "[    .    1    .    2]" 1 
        238 1  22 THR H    1  57 PRO HB3  . . 4.760 3.424 3.072 3.859     .  0  0 "[    .    1    .    2]" 1 
        239 1  22 THR HA   1  22 THR MG   . . 3.190 2.266 2.148 2.342     .  0  0 "[    .    1    .    2]" 1 
        240 1  22 THR HA   1  23 ALA H    . . 3.150 2.166 2.156 2.194     .  0  0 "[    .    1    .    2]" 1 
        241 1  22 THR HA   1  23 ALA MB   . . 4.140 3.927 3.912 3.934     .  0  0 "[    .    1    .    2]" 1 
        242 1  22 THR HA   1  29 PHE QE   . . 3.770 3.362 2.979 3.799 0.029  8  0 "[    .    1    .    2]" 1 
        243 1  22 THR HA   1  98 LYS HA   . . 3.390 2.710 2.251 2.968     .  0  0 "[    .    1    .    2]" 1 
        244 1  22 THR HA   1  98 LYS QB   . . 4.240 4.113 2.415 4.255 0.015 19  0 "[    .    1    .    2]" 1 
        245 1  22 THR HA   1  98 LYS QG   . . 4.370 3.249 2.507 4.409 0.039  8  0 "[    .    1    .    2]" 1 
        246 1  22 THR HA   1  99 VAL H    . . 4.530 4.280 4.040 4.471     .  0  0 "[    .    1    .    2]" 1 
        247 1  22 THR HB   1  23 ALA H    . . 4.420 4.393 4.338 4.439 0.019 15  0 "[    .    1    .    2]" 1 
        248 1  22 THR HB   1  57 PRO HB3  . . 4.760 4.273 3.955 4.768 0.008 12  0 "[    .    1    .    2]" 1 
        249 1  22 THR MG   1  23 ALA H    . . 3.280 3.308 3.281 3.351 0.071  8  0 "[    .    1    .    2]" 1 
        250 1  22 THR MG   1  23 ALA MB   . . 4.370 3.982 3.898 4.046     .  0  0 "[    .    1    .    2]" 1 
        251 1  22 THR MG   1  97 SER HA   . . 4.540 4.505 4.279 4.560 0.020 17  0 "[    .    1    .    2]" 1 
        252 1  22 THR MG   1  97 SER HB2  . . 4.370 4.200 3.938 4.401 0.031  8  0 "[    .    1    .    2]" 1 
        253 1  22 THR MG   1  97 SER HB3  . . 4.540 2.800 2.566 2.922     .  0  0 "[    .    1    .    2]" 1 
        254 1  22 THR MG   1  98 LYS HA   . . 4.240 3.884 3.697 4.171     .  0  0 "[    .    1    .    2]" 1 
        255 1  22 THR MG   1  98 LYS QB   . . 4.050 3.866 2.857 4.073 0.023 15  0 "[    .    1    .    2]" 1 
        256 1  22 THR MG   1  98 LYS QD   . . 4.050 3.602 2.196 4.061 0.011  8  0 "[    .    1    .    2]" 1 
        257 1  22 THR MG   1  98 LYS QE   . . 3.970 2.811 2.035 3.975 0.005  8  0 "[    .    1    .    2]" 1 
        258 1  23 ALA H    1  23 ALA MB   . . 3.110 2.143 2.079 2.176     .  0  0 "[    .    1    .    2]" 1 
        259 1  23 ALA H    1  24 ASP H    . . 5.090 4.301 4.260 4.442     .  0  0 "[    .    1    .    2]" 1 
        260 1  23 ALA H    1  29 PHE QD   . . 4.850 3.763 3.503 3.937     .  0  0 "[    .    1    .    2]" 1 
        261 1  23 ALA H    1  29 PHE QE   . . 3.590 2.205 1.966 2.401     .  0  0 "[    .    1    .    2]" 1 
        262 1  23 ALA H    1  29 PHE HZ   . . 4.230 3.770 3.321 4.145     .  0  0 "[    .    1    .    2]" 1 
        263 1  23 ALA H    1  97 SER HA   . . 4.420 3.202 2.833 3.652     .  0  0 "[    .    1    .    2]" 1 
        264 1  23 ALA H    1  97 SER HB3  . . 4.760 3.796 3.379 4.361     .  0  0 "[    .    1    .    2]" 1 
        265 1  23 ALA H    1  98 LYS HA   . . 4.050 3.250 2.165 3.556     .  0  0 "[    .    1    .    2]" 1 
        266 1  23 ALA H    1  99 VAL H    . . 5.240 4.734 4.172 5.079     .  0  0 "[    .    1    .    2]" 1 
        267 1  23 ALA HA   1  24 ASP H    . . 3.210 2.235 2.189 2.247     .  0  0 "[    .    1    .    2]" 1 
        268 1  23 ALA HA   1  29 PHE HA   . . 4.370 3.818 3.577 3.974     .  0  0 "[    .    1    .    2]" 1 
        269 1  23 ALA HA   1  29 PHE QD   . . 4.030 3.206 2.764 3.460     .  0  0 "[    .    1    .    2]" 1 
        270 1  23 ALA HA   1  57 PRO HG2  . . 4.540 3.967 3.794 4.235     .  0  0 "[    .    1    .    2]" 1 
        271 1  23 ALA HA   1  57 PRO HG3  . . 4.050 3.842 3.644 4.028     .  0  0 "[    .    1    .    2]" 1 
        272 1  23 ALA MB   1  24 ASP H    . . 3.530 3.569 3.402 3.598 0.068 17  0 "[    .    1    .    2]" 1 
        273 1  23 ALA MB   1  28 GLY H    . . 4.370 4.458 4.401 4.617 0.247 18  0 "[    .    1    .    2]" 1 
        274 1  23 ALA MB   1  28 GLY HA2  . . 3.900 2.582 2.248 2.720     .  0  0 "[    .    1    .    2]" 1 
        275 1  23 ALA MB   1  28 GLY HA3  . . 4.240 2.929 2.775 3.122     .  0  0 "[    .    1    .    2]" 1 
        276 1  23 ALA MB   1  29 PHE H    . . 4.960 4.391 4.045 4.649     .  0  0 "[    .    1    .    2]" 1 
        277 1  23 ALA MB   1  29 PHE QD   . . 3.770 3.730 3.661 3.828 0.058 15  0 "[    .    1    .    2]" 1 
        278 1  23 ALA MB   1  29 PHE QE   . . 3.590 2.568 2.348 2.819     .  0  0 "[    .    1    .    2]" 1 
        279 1  23 ALA MB   1  29 PHE HZ   . . 3.890 2.556 2.247 3.046     .  0  0 "[    .    1    .    2]" 1 
        280 1  23 ALA MB   1  94 SER HA   . . 4.140 2.359 2.157 2.583     .  0  0 "[    .    1    .    2]" 1 
        281 1  23 ALA MB   1  94 SER QB   . . 3.840 3.345 2.780 3.798     .  0  0 "[    .    1    .    2]" 1 
        282 1  23 ALA MB   1  97 SER H    . . 4.960 3.813 3.395 4.018     .  0  0 "[    .    1    .    2]" 1 
        283 1  23 ALA MB   1  97 SER HA   . . 3.420 2.160 1.769 2.366     .  0  0 "[    .    1    .    2]" 1 
        284 1  23 ALA MB   1  97 SER HB2  . . 4.370 4.176 3.715 4.374 0.004  8  0 "[    .    1    .    2]" 1 
        285 1  23 ALA MB   1  97 SER HB3  . . 4.240 3.497 2.906 3.883     .  0  0 "[    .    1    .    2]" 1 
        286 1  24 ASP H    1  24 ASP HB2  . . 3.640 2.012 2.003 2.036     .  0  0 "[    .    1    .    2]" 1 
        287 1  24 ASP H    1  24 ASP HB3  . . 3.680 3.200 3.080 3.251     .  0  0 "[    .    1    .    2]" 1 
        288 1  24 ASP H    1  28 GLY H    . . 4.530 3.957 2.749 4.181     .  0  0 "[    .    1    .    2]" 1 
        289 1  24 ASP H    1  28 GLY HA2  . . 4.530 2.102 1.963 2.181     .  0  0 "[    .    1    .    2]" 1 
        290 1  24 ASP H    1  28 GLY HA3  . . 4.600 3.612 3.475 3.663     .  0  0 "[    .    1    .    2]" 1 
        291 1  24 ASP H    1  29 PHE HA   . . 5.240 4.126 3.936 4.288     .  0  0 "[    .    1    .    2]" 1 
        292 1  24 ASP H    1  57 PRO HD2  . . 5.240 4.336 4.027 4.518     .  0  0 "[    .    1    .    2]" 1 
        293 1  24 ASP H    1  57 PRO HG3  . . 3.900 2.530 2.350 2.798     .  0  0 "[    .    1    .    2]" 1 
        294 1  24 ASP HA   1  25 PRO HD2  . . 3.000 2.957 2.827 3.024 0.024 14  0 "[    .    1    .    2]" 1 
        295 1  24 ASP HA   1  25 PRO HD3  . . 3.060 2.181 2.091 2.231     .  0  0 "[    .    1    .    2]" 1 
        296 1  24 ASP HA   1  26 VAL H    . . 5.090 4.012 3.875 4.123     .  0  0 "[    .    1    .    2]" 1 
        297 1  24 ASP HB2  1  25 PRO HD2  . . 4.760 3.704 3.603 3.893     .  0  0 "[    .    1    .    2]" 1 
        298 1  24 ASP HB2  1  25 PRO HD3  . . 4.370 4.254 4.189 4.370     .  0  0 "[    .    1    .    2]" 1 
        299 1  24 ASP HB2  1  27 THR H    . . 4.540 3.219 3.074 3.690     .  0  0 "[    .    1    .    2]" 1 
        300 1  24 ASP HB2  1  28 GLY H    . . 4.370 3.881 1.935 4.356     .  0  0 "[    .    1    .    2]" 1 
        301 1  24 ASP HB2  1  57 PRO HD2  . . 4.370 3.909 3.757 4.029     .  0  0 "[    .    1    .    2]" 1 
        302 1  24 ASP HB2  1  57 PRO HD3  . . 4.140 2.607 2.436 2.702     .  0  0 "[    .    1    .    2]" 1 
        303 1  24 ASP HB2  1  57 PRO HG2  . . 4.240 4.076 3.896 4.244 0.004 12  0 "[    .    1    .    2]" 1 
        304 1  24 ASP HB2  1  57 PRO HG3  . . 4.240 2.755 2.535 3.008     .  0  0 "[    .    1    .    2]" 1 
        305 1  24 ASP HB3  1  25 PRO HD2  . . 4.540 2.445 2.248 2.829     .  0  0 "[    .    1    .    2]" 1 
        306 1  24 ASP HB3  1  25 PRO HD3  . . 4.240 3.472 3.314 3.772     .  0  0 "[    .    1    .    2]" 1 
        307 1  24 ASP HB3  1  26 VAL H    . . 4.760 1.924 1.876 1.979     .  0  0 "[    .    1    .    2]" 1 
        308 1  24 ASP HB3  1  26 VAL HB   . . 4.540 3.997 3.118 4.833 0.293  9  0 "[    .    1    .    2]" 1 
        309 1  24 ASP HB3  1  27 THR H    . . 4.240 2.115 1.937 2.663     .  0  0 "[    .    1    .    2]" 1 
        310 1  24 ASP HB3  1  27 THR MG   . . 4.370 4.330 4.113 4.416 0.046  9  0 "[    .    1    .    2]" 1 
        311 1  24 ASP HB3  1  28 GLY H    . . 3.890 3.836 2.575 4.000 0.110 17  0 "[    .    1    .    2]" 1 
        312 1  24 ASP HB3  1  28 GLY HA2  . . 4.540 3.847 3.769 3.955     .  0  0 "[    .    1    .    2]" 1 
        313 1  24 ASP HB3  1  57 PRO HD3  . . 4.050 4.066 4.014 4.118 0.068 15  0 "[    .    1    .    2]" 1 
        314 1  24 ASP HB3  1  57 PRO HG3  . . 4.540 4.452 4.265 4.613 0.073 18  0 "[    .    1    .    2]" 1 
        315 1  25 PRO HA   1  26 VAL QG   . . 4.370 4.077 3.826 4.196     .  0  0 "[    .    1    .    2]" 1 
        316 1  25 PRO HB2  1  26 VAL H    . . 4.320 3.916 3.761 4.173     .  0  0 "[    .    1    .    2]" 1 
        317 1  25 PRO HB2  1  26 VAL QG   . . 3.730 2.965 2.915 3.173     .  0  0 "[    .    1    .    2]" 1 
        318 1  25 PRO HB3  1  26 VAL H    . . 4.540 4.554 4.474 4.680 0.140 18  0 "[    .    1    .    2]" 1 
        319 1  25 PRO HB3  1  26 VAL QG   . . 4.370 4.348 4.189 4.485 0.115 12  0 "[    .    1    .    2]" 1 
        320 1  25 PRO HD2  1  26 VAL H    . . 4.240 2.593 2.411 2.972     .  0  0 "[    .    1    .    2]" 1 
        321 1  25 PRO HD3  1  26 VAL H    . . 4.140 3.778 3.697 3.964     .  0  0 "[    .    1    .    2]" 1 
        322 1  25 PRO QG   1  26 VAL H    . . 3.970 3.548 3.323 3.943     .  0  0 "[    .    1    .    2]" 1 
        323 1  25 PRO QG   1  26 VAL QG   . . 3.730 3.154 2.921 3.351     .  0  0 "[    .    1    .    2]" 1 
        324 1  26 VAL H    1  26 VAL QG   . . 3.300 2.654 1.881 3.065     .  0  0 "[    .    1    .    2]" 1 
        325 1  26 VAL H    1  27 THR H    . . 3.260 2.226 2.125 2.740     .  0  0 "[    .    1    .    2]" 1 
        326 1  26 VAL H    1  27 THR HA   . . 4.760 4.517 4.388 4.766 0.006 18  0 "[    .    1    .    2]" 1 
        327 1  26 VAL H    1  27 THR MG   . . 4.540 4.430 4.211 4.554 0.014  9  0 "[    .    1    .    2]" 1 
        328 1  26 VAL H    1  28 GLY H    . . 4.370 4.074 3.722 4.403 0.033 12  0 "[    .    1    .    2]" 1 
        329 1  26 VAL HA   1  26 VAL QG   . . 2.970 2.178 2.126 2.236     .  0  0 "[    .    1    .    2]" 1 
        330 1  26 VAL HA   1  27 THR MG   . . 4.540 4.446 4.022 4.634 0.094 18  0 "[    .    1    .    2]" 1 
        331 1  26 VAL HB   1  27 THR H    . . 3.570 2.604 2.253 3.214     .  0  0 "[    .    1    .    2]" 1 
        332 1  26 VAL HB   1  27 THR MG   . . 3.470 3.200 2.766 3.422     .  0  0 "[    .    1    .    2]" 1 
        333 1  26 VAL HB   1  28 GLY H    . . 5.500 5.545 5.087 5.626 0.126 15  0 "[    .    1    .    2]" 1 
        334 1  26 VAL QG   1  27 THR H    . . 3.970 2.449 1.720 2.955     .  0  0 "[    .    1    .    2]" 1 
        335 1  26 VAL QG   1  27 THR HA   . . 3.900 3.481 3.202 3.894     .  0  0 "[    .    1    .    2]" 1 
        336 1  26 VAL QG   1  27 THR MG   . . 3.030 2.130 1.886 2.611     .  0  0 "[    .    1    .    2]" 1 
        337 1  27 THR H    1  27 THR MG   . . 3.390 2.666 2.117 2.861     .  0  0 "[    .    1    .    2]" 1 
        338 1  27 THR H    1  28 GLY H    . . 3.620 3.599 2.941 3.705 0.085 20  0 "[    .    1    .    2]" 1 
        339 1  27 THR HA   1  27 THR MG   . . 3.090 2.335 2.239 2.527     .  0  0 "[    .    1    .    2]" 1 
        340 1  27 THR HB   1  28 GLY H    . . 4.370 4.250 2.567 4.427 0.057 13  0 "[    .    1    .    2]" 1 
        341 1  27 THR HB   1  56 SER HB2  . . 4.240 2.600 2.157 3.884     .  0  0 "[    .    1    .    2]" 1 
        342 1  27 THR HB   1  56 SER HB3  . . 4.140 3.314 2.775 4.184 0.044 18  0 "[    .    1    .    2]" 1 
        343 1  27 THR MG   1  28 GLY H    . . 4.960 4.282 3.691 4.409     .  0  0 "[    .    1    .    2]" 1 
        344 1  27 THR MG   1  53 GLU QB   . . 4.370 3.483 3.133 3.776     .  0  0 "[    .    1    .    2]" 1 
        345 1  27 THR MG   1  53 GLU QG   . . 4.370 3.764 3.290 3.968     .  0  0 "[    .    1    .    2]" 1 
        346 1  27 THR MG   1  56 SER HA   . . 4.540 3.837 3.512 4.060     .  0  0 "[    .    1    .    2]" 1 
        347 1  27 THR MG   1  56 SER HB3  . . 4.370 3.887 3.581 4.138     .  0  0 "[    .    1    .    2]" 1 
        348 1  28 GLY H    1  29 PHE H    . . 4.760 3.744 3.621 3.816     .  0  0 "[    .    1    .    2]" 1 
        349 1  28 GLY HA2  1  29 PHE H    . . 3.640 3.563 3.488 3.610     .  0  0 "[    .    1    .    2]" 1 
        350 1  28 GLY HA3  1  29 PHE H    . . 3.410 2.346 2.257 2.441     .  0  0 "[    .    1    .    2]" 1 
        351 1  28 GLY HA3  1  30 GLY H    . . 4.420 3.920 3.697 4.152     .  0  0 "[    .    1    .    2]" 1 
        352 1  29 PHE H    1  29 PHE HB2  . . 3.850 2.546 2.436 2.629     .  0  0 "[    .    1    .    2]" 1 
        353 1  29 PHE H    1  29 PHE HB3  . . 4.140 3.636 3.589 3.666     .  0  0 "[    .    1    .    2]" 1 
        354 1  29 PHE H    1  29 PHE QD   . . 3.770 3.107 2.819 3.417     .  0  0 "[    .    1    .    2]" 1 
        355 1  29 PHE H    1  30 GLY H    . . 3.570 1.926 1.880 2.022     .  0  0 "[    .    1    .    2]" 1 
        356 1  29 PHE H    1  30 GLY HA2  . . 4.600 4.160 4.116 4.253     .  0  0 "[    .    1    .    2]" 1 
        357 1  29 PHE H    1  31 ILE H    . . 4.850 4.480 4.236 4.641     .  0  0 "[    .    1    .    2]" 1 
        358 1  29 PHE HA   1  29 PHE QD   . . 3.310 2.457 2.008 2.712     .  0  0 "[    .    1    .    2]" 1 
        359 1  29 PHE HA   1  57 PRO HD2  . . 4.240 2.726 2.552 2.976     .  0  0 "[    .    1    .    2]" 1 
        360 1  29 PHE HA   1  57 PRO HD3  . . 4.540 3.964 3.819 4.217     .  0  0 "[    .    1    .    2]" 1 
        361 1  29 PHE HA   1  57 PRO HG3  . . 4.370 3.479 3.267 3.685     .  0  0 "[    .    1    .    2]" 1 
        362 1  29 PHE HB2  1  30 GLY H    . . 4.530 2.891 2.555 3.048     .  0  0 "[    .    1    .    2]" 1 
        363 1  29 PHE HB2  1  31 ILE H    . . 4.420 3.383 3.043 3.695     .  0  0 "[    .    1    .    2]" 1 
        364 1  29 PHE HB2  1  31 ILE MD   . . 4.760 3.179 2.808 3.684     .  0  0 "[    .    1    .    2]" 1 
        365 1  29 PHE HB2  1  31 ILE HG13 . . 3.970 2.692 2.405 3.050     .  0  0 "[    .    1    .    2]" 1 
        366 1  29 PHE HB3  1  30 GLY H    . . 4.760 4.056 3.810 4.188     .  0  0 "[    .    1    .    2]" 1 
        367 1  29 PHE HB3  1  31 ILE H    . . 4.760 4.488 4.147 4.743     .  0  0 "[    .    1    .    2]" 1 
        368 1  29 PHE HB3  1  31 ILE MD   . . 4.370 2.207 1.996 2.766     .  0  0 "[    .    1    .    2]" 1 
        369 1  29 PHE QD   1  90 LEU HA   . . 3.890 3.739 3.317 3.906 0.016  2  0 "[    .    1    .    2]" 1 
        370 1  29 PHE QD   1  90 LEU QD   . . 3.890 2.462 1.906 3.039     .  0  0 "[    .    1    .    2]" 1 
        371 1  29 PHE QD   1  99 VAL QG   . . 4.030 2.475 2.018 2.934     .  0  0 "[    .    1    .    2]" 1 
        372 1  29 PHE QE   1  90 LEU HA   . . 3.890 3.040 2.284 3.701     .  0  0 "[    .    1    .    2]" 1 
        373 1  29 PHE QE   1  93 SER QB   . . 3.900 2.471 2.051 2.996     .  0  0 "[    .    1    .    2]" 1 
        374 1  29 PHE QE   1  94 SER H    . . 4.600 2.801 2.157 3.377     .  0  0 "[    .    1    .    2]" 1 
        375 1  29 PHE QE   1  94 SER HA   . . 3.890 3.268 2.763 3.702     .  0  0 "[    .    1    .    2]" 1 
        376 1  29 PHE QE   1  94 SER QB   . . 3.590 3.304 2.723 3.609 0.019 17  0 "[    .    1    .    2]" 1 
        377 1  29 PHE QE   1  98 LYS HA   . . 3.520 2.970 2.152 3.515     .  0  0 "[    .    1    .    2]" 1 
        378 1  29 PHE QE   1  99 VAL H    . . 3.890 3.378 2.783 3.863     .  0  0 "[    .    1    .    2]" 1 
        379 1  29 PHE QE   1  99 VAL HB   . . 3.770 3.120 2.836 3.450     .  0  0 "[    .    1    .    2]" 1 
        380 1  29 PHE QE   1  99 VAL QG   . . 3.890 2.565 2.234 2.803     .  0  0 "[    .    1    .    2]" 1 
        381 1  29 PHE HZ   1  93 SER QB   . . 3.770 2.324 1.979 2.949     .  0  0 "[    .    1    .    2]" 1 
        382 1  29 PHE HZ   1  94 SER HA   . . 3.590 2.450 1.989 2.849     .  0  0 "[    .    1    .    2]" 1 
        383 1  29 PHE HZ   1  98 LYS H    . . 4.960 3.562 3.005 3.924     .  0  0 "[    .    1    .    2]" 1 
        384 1  29 PHE HZ   1  98 LYS HA   . . 4.540 4.259 3.707 4.538     .  0  0 "[    .    1    .    2]" 1 
        385 1  29 PHE HZ   1  99 VAL H    . . 5.240 4.618 4.137 5.179     .  0  0 "[    .    1    .    2]" 1 
        386 1  29 PHE HZ   1  99 VAL HB   . . 3.590 3.017 2.405 3.426     .  0  0 "[    .    1    .    2]" 1 
        387 1  29 PHE HZ   1  99 VAL QG   . . 3.890 3.461 2.755 3.721     .  0  0 "[    .    1    .    2]" 1 
        388 1  30 GLY H    1  31 ILE H    . . 3.540 3.095 2.816 3.283     .  0  0 "[    .    1    .    2]" 1 
        389 1  30 GLY H    1  53 GLU QB   . . 4.850 4.141 3.825 4.476     .  0  0 "[    .    1    .    2]" 1 
        390 1  30 GLY HA2  1  53 GLU H    . . 4.600 3.840 3.350 4.242     .  0  0 "[    .    1    .    2]" 1 
        391 1  30 GLY HA2  1  53 GLU QB   . . 3.230 2.420 1.958 3.072     .  0  0 "[    .    1    .    2]" 1 
        392 1  30 GLY HA3  1  53 GLU H    . . 4.530 3.398 3.154 3.704     .  0  0 "[    .    1    .    2]" 1 
        393 1  30 GLY HA3  1  53 GLU QB   . . 3.780 1.956 1.860 2.153     .  0  0 "[    .    1    .    2]" 1 
        394 1  30 GLY HA3  1  56 SER HB2  . . 3.970 2.559 2.142 3.190     .  0  0 "[    .    1    .    2]" 1 
        395 1  30 GLY HA3  1  56 SER HB3  . . 4.240 3.035 2.451 3.633     .  0  0 "[    .    1    .    2]" 1 
        396 1  31 ILE H    1  31 ILE HB   . . 3.500 2.822 2.710 3.037     .  0  0 "[    .    1    .    2]" 1 
        397 1  31 ILE H    1  31 ILE MD   . . 4.370 4.111 3.893 4.337     .  0  0 "[    .    1    .    2]" 1 
        398 1  31 ILE H    1  31 ILE HG12 . . 4.050 3.793 3.618 3.963     .  0  0 "[    .    1    .    2]" 1 
        399 1  31 ILE H    1  31 ILE HG13 . . 4.040 2.769 2.574 2.969     .  0  0 "[    .    1    .    2]" 1 
        400 1  31 ILE H    1  31 ILE MG   . . 3.980 3.918 3.875 3.993 0.013 12  0 "[    .    1    .    2]" 1 
        401 1  31 ILE H    1  32 GLN H    . . 4.960 4.391 4.263 4.460     .  0  0 "[    .    1    .    2]" 1 
        402 1  31 ILE H    1  58 ALA MB   . . 4.540 4.486 4.311 4.579 0.039 19  0 "[    .    1    .    2]" 1 
        403 1  31 ILE HA   1  31 ILE MD   . . 4.760 3.841 3.649 3.925     .  0  0 "[    .    1    .    2]" 1 
        404 1  31 ILE HA   1  31 ILE MG   . . 3.600 2.353 2.262 2.419     .  0  0 "[    .    1    .    2]" 1 
        405 1  31 ILE HA   1  32 GLN H    . . 3.170 2.282 2.226 2.323     .  0  0 "[    .    1    .    2]" 1 
        406 1  31 ILE HA   1  51 TYR H    . . 5.090 4.813 4.656 4.951     .  0  0 "[    .    1    .    2]" 1 
        407 1  31 ILE HA   1  52 ILE HA   . . 4.540 2.630 2.452 2.797     .  0  0 "[    .    1    .    2]" 1 
        408 1  31 ILE HA   1  53 GLU H    . . 4.960 3.220 2.919 3.581     .  0  0 "[    .    1    .    2]" 1 
        409 1  31 ILE HA   1  58 ALA MB   . . 4.760 3.726 3.560 3.827     .  0  0 "[    .    1    .    2]" 1 
        410 1  31 ILE HB   1  31 ILE MD   . . 3.350 2.358 2.215 2.550     .  0  0 "[    .    1    .    2]" 1 
        411 1  31 ILE HB   1  32 GLN H    . . 3.970 3.913 3.773 3.990 0.020  2  0 "[    .    1    .    2]" 1 
        412 1  31 ILE HB   1  58 ALA MB   . . 4.540 4.212 4.029 4.435     .  0  0 "[    .    1    .    2]" 1 
        413 1  31 ILE MD   1  31 ILE MG   . . 2.720 2.023 1.845 2.220     .  0  0 "[    .    1    .    2]" 1 
        414 1  31 ILE MD   1  58 ALA MB   . . 3.530 2.051 1.707 2.310     .  0  0 "[    .    1    .    2]" 1 
        415 1  31 ILE HG12 1  32 GLN H    . . 5.090 4.567 4.451 4.811     .  0  0 "[    .    1    .    2]" 1 
        416 1  31 ILE HG12 1  52 ILE MG   . . 4.760 3.204 2.945 3.372     .  0  0 "[    .    1    .    2]" 1 
        417 1  31 ILE HG12 1  58 ALA MB   . . 2.850 1.920 1.867 1.991     .  0  0 "[    .    1    .    2]" 1 
        418 1  31 ILE HG13 1  52 ILE MG   . . 4.540 4.526 4.281 4.557 0.017 19  0 "[    .    1    .    2]" 1 
        419 1  31 ILE HG13 1  58 ALA MB   . . 3.320 2.517 2.289 2.848     .  0  0 "[    .    1    .    2]" 1 
        420 1  31 ILE MG   1  32 GLN H    . . 3.730 2.088 1.943 2.456     .  0  0 "[    .    1    .    2]" 1 
        421 1  31 ILE MG   1  33 LEU H    . . 4.760 4.696 4.468 4.796 0.036 12  0 "[    .    1    .    2]" 1 
        422 1  31 ILE MG   1  52 ILE HA   . . 4.540 3.775 3.527 4.003     .  0  0 "[    .    1    .    2]" 1 
        423 1  31 ILE MG   1  52 ILE HG12 . . 3.640 3.050 2.708 3.423     .  0  0 "[    .    1    .    2]" 1 
        424 1  31 ILE MG   1  52 ILE HG13 . . 4.540 3.908 3.527 4.273     .  0  0 "[    .    1    .    2]" 1 
        425 1  31 ILE MG   1  52 ILE MG   . . 4.090 3.806 3.572 4.043     .  0  0 "[    .    1    .    2]" 1 
        426 1  31 ILE MG   1  58 ALA MB   . . 3.250 3.257 3.141 3.292 0.042 12  0 "[    .    1    .    2]" 1 
        427 1  32 GLN H    1  32 GLN HB2  . . 4.010 2.494 2.414 2.597     .  0  0 "[    .    1    .    2]" 1 
        428 1  32 GLN H    1  32 GLN QG   . . 4.540 3.594 3.396 4.072     .  0  0 "[    .    1    .    2]" 1 
        429 1  32 GLN H    1  33 LEU H    . . 5.090 4.416 4.328 4.479     .  0  0 "[    .    1    .    2]" 1 
        430 1  32 GLN H    1  50 SER H    . . 5.090 4.123 3.788 4.547     .  0  0 "[    .    1    .    2]" 1 
        431 1  32 GLN H    1  51 TYR H    . . 3.890 2.839 2.712 2.942     .  0  0 "[    .    1    .    2]" 1 
        432 1  32 GLN H    1  51 TYR HB3  . . 4.540 4.093 3.790 4.251     .  0  0 "[    .    1    .    2]" 1 
        433 1  32 GLN H    1  52 ILE HA   . . 4.850 3.554 3.316 3.775     .  0  0 "[    .    1    .    2]" 1 
        434 1  32 GLN HA   1  33 LEU H    . . 3.320 2.280 2.222 2.334     .  0  0 "[    .    1    .    2]" 1 
        435 1  32 GLN HB2  1  32 GLN HE22 . . 5.440 5.047 3.717 5.383     .  0  0 "[    .    1    .    2]" 1 
        436 1  32 GLN HB2  1  33 LEU H    . . 4.540 4.345 4.239 4.471     .  0  0 "[    .    1    .    2]" 1 
        437 1  32 GLN HB2  1  51 TYR H    . . 4.200 2.076 1.927 2.532     .  0  0 "[    .    1    .    2]" 1 
        438 1  32 GLN HB2  1  51 TYR HB2  . . 3.440 3.478 3.422 3.575 0.135 16  0 "[    .    1    .    2]" 1 
        439 1  32 GLN HB2  1  51 TYR HB3  . . 3.840 1.976 1.939 2.012     .  0  0 "[    .    1    .    2]" 1 
        440 1  32 GLN HB2  1  51 TYR QD   . . 3.460 3.274 2.815 3.474 0.014  9  0 "[    .    1    .    2]" 1 
        441 1  32 GLN HB3  1  33 LEU H    . . 4.050 3.209 3.018 3.454     .  0  0 "[    .    1    .    2]" 1 
        442 1  32 GLN HB3  1  51 TYR H    . . 4.370 2.623 2.197 3.106     .  0  0 "[    .    1    .    2]" 1 
        443 1  32 GLN HB3  1  51 TYR HB2  . . 4.050 4.030 3.891 4.091 0.041 19  0 "[    .    1    .    2]" 1 
        444 1  32 GLN HB3  1  51 TYR HB3  . . 4.240 2.987 2.662 3.153     .  0  0 "[    .    1    .    2]" 1 
        445 1  32 GLN QG   1  33 LEU H    . . 4.540 3.859 3.395 4.328     .  0  0 "[    .    1    .    2]" 1 
        446 1  32 GLN QG   1  51 TYR H    . . 4.760 3.986 3.742 4.394     .  0  0 "[    .    1    .    2]" 1 
        447 1  32 GLN QG   1  51 TYR QD   . . 3.270 2.978 2.195 3.295 0.025 19  0 "[    .    1    .    2]" 1 
        448 1  33 LEU H    1  33 LEU QB   . . 3.910 2.525 2.346 2.711     .  0  0 "[    .    1    .    2]" 1 
        449 1  33 LEU H    1  33 LEU QD   . . 4.280 2.763 1.927 3.531     .  0  0 "[    .    1    .    2]" 1 
        450 1  33 LEU H    1  33 LEU HG   . . 3.960 3.208 2.446 3.994 0.034 19  0 "[    .    1    .    2]" 1 
        451 1  33 LEU H    1  87 ASN HD22 . . 5.240 4.478 3.654 5.088     .  0  0 "[    .    1    .    2]" 1 
        452 1  33 LEU HA   1  33 LEU QD   . . 3.190 2.234 1.965 2.587     .  0  0 "[    .    1    .    2]" 1 
        453 1  33 LEU HA   1  33 LEU HG   . . 4.240 3.295 2.751 3.794     .  0  0 "[    .    1    .    2]" 1 
        454 1  33 LEU HA   1  34 GLN H    . . 3.320 2.429 2.371 2.504     .  0  0 "[    .    1    .    2]" 1 
        455 1  33 LEU HA   1  49 ILE HA   . . 3.900 2.849 2.503 3.126     .  0  0 "[    .    1    .    2]" 1 
        456 1  33 LEU HA   1  50 SER H    . . 3.780 2.275 2.004 2.646     .  0  0 "[    .    1    .    2]" 1 
        457 1  33 LEU HA   1  51 TYR H    . . 4.760 4.562 4.399 4.756     .  0  0 "[    .    1    .    2]" 1 
        458 1  33 LEU QB   1  34 GLN H    . . 4.160 2.543 2.378 2.653     .  0  0 "[    .    1    .    2]" 1 
        459 1  33 LEU QB   1  47 PRO HB2  . . 4.370 2.592 2.023 3.437     .  0  0 "[    .    1    .    2]" 1 
        460 1  33 LEU QB   1  83 PHE QD   . . 4.030 3.194 2.269 3.900     .  0  0 "[    .    1    .    2]" 1 
        461 1  33 LEU QB   1  83 PHE QE   . . 4.370 2.675 1.983 3.122     .  0  0 "[    .    1    .    2]" 1 
        462 1  33 LEU QB   1  86 ALA MB   . . 4.540 3.414 2.958 3.776     .  0  0 "[    .    1    .    2]" 1 
        463 1  33 LEU QB   1  87 ASN HD21 . . 5.440 4.078 3.279 5.271     .  0  0 "[    .    1    .    2]" 1 
        464 1  33 LEU QD   1  34 GLN H    . . 4.050 3.410 2.944 3.808     .  0  0 "[    .    1    .    2]" 1 
        465 1  33 LEU QD   1  47 PRO HB2  . . 3.300 2.188 1.886 2.624     .  0  0 "[    .    1    .    2]" 1 
        466 1  33 LEU QD   1  47 PRO HB3  . . 3.970 3.300 2.916 3.864     .  0  0 "[    .    1    .    2]" 1 
        467 1  33 LEU QD   1  47 PRO HG2  . . 4.140 3.205 2.373 3.914     .  0  0 "[    .    1    .    2]" 1 
        468 1  33 LEU QD   1  49 ILE H    . . 4.540 4.092 3.321 4.517     .  0  0 "[    .    1    .    2]" 1 
        469 1  33 LEU QD   1  49 ILE HA   . . 3.370 2.815 2.411 3.007     .  0  0 "[    .    1    .    2]" 1 
        470 1  33 LEU QD   1  49 ILE HG12 . . 3.900 3.078 2.703 3.307     .  0  0 "[    .    1    .    2]" 1 
        471 1  33 LEU QD   1  50 SER H    . . 3.970 3.626 3.353 3.870     .  0  0 "[    .    1    .    2]" 1 
        472 1  33 LEU QD   1  86 ALA MB   . . 3.090 2.198 1.710 2.831     .  0  0 "[    .    1    .    2]" 1 
        473 1  33 LEU QD   1  87 ASN H    . . 4.670 3.336 2.796 3.946     .  0  0 "[    .    1    .    2]" 1 
        474 1  33 LEU QD   1  87 ASN HA   . . 3.640 2.700 2.133 3.173     .  0  0 "[    .    1    .    2]" 1 
        475 1  33 LEU QD   1  87 ASN HB2  . . 3.900 3.557 3.124 4.523 0.623 19  1 "[    .    1    .   +2]" 1 
        476 1  33 LEU QD   1  87 ASN HB3  . . 5.100 4.588 3.807 4.999     .  0  0 "[    .    1    .    2]" 1 
        477 1  34 GLN H    1  34 GLN QB   . . 3.780 2.873 2.282 3.233     .  0  0 "[    .    1    .    2]" 1 
        478 1  34 GLN H    1  34 GLN HG2  . . 4.760 2.886 2.170 4.040     .  0  0 "[    .    1    .    2]" 1 
        479 1  34 GLN H    1  34 GLN HG3  . . 4.530 2.285 1.952 4.538 0.008  2  0 "[    .    1    .    2]" 1 
        480 1  34 GLN H    1  48 LEU H    . . 4.320 3.272 2.462 4.009     .  0  0 "[    .    1    .    2]" 1 
        481 1  34 GLN H    1  48 LEU HB2  . . 4.760 4.477 4.117 4.774 0.014  3  0 "[    .    1    .    2]" 1 
        482 1  34 GLN H    1  49 ILE HA   . . 4.540 4.488 4.250 4.579 0.039 15  0 "[    .    1    .    2]" 1 
        483 1  34 GLN H    1  50 SER H    . . 4.960 3.562 3.261 3.887     .  0  0 "[    .    1    .    2]" 1 
        484 1  34 GLN H    1  50 SER HB2  . . 4.540 3.588 2.987 4.313     .  0  0 "[    .    1    .    2]" 1 
        485 1  34 GLN H    1  50 SER HB3  . . 4.540 4.370 3.768 4.565 0.025 17  0 "[    .    1    .    2]" 1 
        486 1  34 GLN HA   1  34 GLN HG2  . . 4.240 3.945 2.204 4.219     .  0  0 "[    .    1    .    2]" 1 
        487 1  34 GLN HA   1  83 PHE QD   . . 4.230 4.166 3.885 4.272 0.042 15  0 "[    .    1    .    2]" 1 
        488 1  34 GLN HA   1  83 PHE QE   . . 4.370 3.052 2.158 4.000     .  0  0 "[    .    1    .    2]" 1 
        489 1  34 GLN QB   1  35 GLY H    . . 4.140 2.798 2.295 3.358     .  0  0 "[    .    1    .    2]" 1 
        490 1  34 GLN QB   1  48 LEU HB2  . . 4.370 3.987 2.888 4.385 0.015 10  0 "[    .    1    .    2]" 1 
        491 1  34 GLN QB   1  50 SER HB2  . . 3.420 2.151 1.971 3.123     .  0  0 "[    .    1    .    2]" 1 
        492 1  34 GLN HE21 1  48 LEU QD   . . 5.240 3.187 2.530 4.268     .  0  0 "[    .    1    .    2]" 1 
        493 1  34 GLN HE22 1  48 LEU QD   . . 5.240 3.010 2.178 5.018     .  0  0 "[    .    1    .    2]" 1 
        494 1  34 GLN HG2  1  50 SER HB2  . . 4.760 3.700 2.002 4.153     .  0  0 "[    .    1    .    2]" 1 
        495 1  34 GLN HG3  1  48 LEU HB2  . . 4.760 3.302 2.646 3.997     .  0  0 "[    .    1    .    2]" 1 
        496 1  34 GLN HG3  1  48 LEU QD   . . 4.140 3.674 2.715 4.086     .  0  0 "[    .    1    .    2]" 1 
        497 1  34 GLN HG3  1  50 SER HB2  . . 4.140 4.424 3.402 4.765 0.625  9  4 "[    -  *+1    .  * 2]" 1 
        498 1  35 GLY H    1  36 SER H    . . 4.960 4.122 3.427 4.482     .  0  0 "[    .    1    .    2]" 1 
        499 1  35 GLY HA2  1  36 SER H    . . 3.450 2.988 2.511 3.463 0.013 11  0 "[    .    1    .    2]" 1 
        500 1  35 GLY HA2  1  83 PHE QD   . . 4.370 3.538 2.370 4.586 0.216  9  0 "[    .    1    .    2]" 1 
        501 1  35 GLY HA3  1  36 SER H    . . 3.640 2.350 2.205 2.735     .  0  0 "[    .    1    .    2]" 1 
        502 1  35 GLY HA3  1  83 PHE QD   . . 4.760 3.152 1.998 4.639     .  0  0 "[    .    1    .    2]" 1 
        503 1  36 SER H    1  36 SER HB2  . . 3.760 3.083 2.373 3.755     .  0  0 "[    .    1    .    2]" 1 
        504 1  36 SER H    1  36 SER HB3  . . 3.530 3.377 2.604 3.765 0.235  9  0 "[    .    1    .    2]" 1 
        505 1  36 SER H    1  37 VAL H    . . 4.370 4.384 4.290 4.531 0.161 11  0 "[    .    1    .    2]" 1 
        506 1  36 SER HA   1  37 VAL H    . . 3.140 2.512 2.217 2.744     .  0  0 "[    .    1    .    2]" 1 
        507 1  36 SER HA   1  37 VAL QG   . . 4.370 3.387 3.079 3.851     .  0  0 "[    .    1    .    2]" 1 
        508 1  36 SER HA   1  38 PHE H    . . 4.670 4.435 3.822 4.702 0.032  7  0 "[    .    1    .    2]" 1 
        509 1  36 SER HB2  1  37 VAL H    . . 4.200 3.771 2.646 4.189     .  0  0 "[    .    1    .    2]" 1 
        510 1  36 SER HB2  1  38 PHE H    . . 5.090 4.300 3.066 4.982     .  0  0 "[    .    1    .    2]" 1 
        511 1  36 SER HB2  1  39 ALA MB   . . 4.240 3.890 2.962 4.761 0.521  6  1 "[    .+   1    .    2]" 1 
        512 1  36 SER HB3  1  37 VAL H    . . 3.970 3.057 2.128 4.166 0.196 10  0 "[    .    1    .    2]" 1 
        513 1  36 SER HB3  1  38 PHE H    . . 5.090 3.360 2.277 4.880     .  0  0 "[    .    1    .    2]" 1 
        514 1  36 SER HB3  1  39 ALA MB   . . 4.760 3.621 1.963 4.353     .  0  0 "[    .    1    .    2]" 1 
        515 1  37 VAL H    1  37 VAL HB   . . 3.830 3.198 2.299 3.729     .  0  0 "[    .    1    .    2]" 1 
        516 1  37 VAL H    1  37 VAL QG   . . 3.600 1.965 1.823 2.389     .  0  0 "[    .    1    .    2]" 1 
        517 1  37 VAL HA   1  37 VAL QG   . . 3.210 2.270 2.097 2.486     .  0  0 "[    .    1    .    2]" 1 
        518 1  37 VAL HA   1  38 PHE H    . . 3.630 3.596 3.495 3.640 0.010 11  0 "[    .    1    .    2]" 1 
        519 1  37 VAL HB   1  38 PHE H    . . 4.070 3.589 2.308 4.092 0.022  1  0 "[    .    1    .    2]" 1 
        520 1  37 VAL QG   1  38 PHE H    . . 3.260 2.228 1.789 3.072     .  0  0 "[    .    1    .    2]" 1 
        521 1  37 VAL QG   1  38 PHE QD   . . 3.890 2.494 1.902 3.636     .  0  0 "[    .    1    .    2]" 1 
        522 1  37 VAL QG   1  38 PHE QE   . . 4.230 3.459 2.773 4.078     .  0  0 "[    .    1    .    2]" 1 
        523 1  38 PHE H    1  38 PHE HB2  . . 3.780 2.507 1.999 3.695     .  0  0 "[    .    1    .    2]" 1 
        524 1  38 PHE H    1  38 PHE HB3  . . 3.440 3.340 2.684 3.678 0.238  7  0 "[    .    1    .    2]" 1 
        525 1  38 PHE H    1  38 PHE QD   . . 4.670 3.130 2.173 4.019     .  0  0 "[    .    1    .    2]" 1 
        526 1  38 PHE HA   1  38 PHE QD   . . 3.590 2.838 2.079 3.699 0.109 20  0 "[    .    1    .    2]" 1 
        527 1  38 PHE HA   1  39 ALA H    . . 3.360 2.578 2.214 3.627 0.267  4  0 "[    .    1    .    2]" 1 
        528 1  38 PHE HB2  1  39 ALA H    . . 4.370 3.838 2.131 4.506 0.136  8  0 "[    .    1    .    2]" 1 
        529 1  38 PHE HB3  1  39 ALA H    . . 4.850 3.527 2.572 4.681     .  0  0 "[    .    1    .    2]" 1 
        530 1  39 ALA H    1  39 ALA MB   . . 3.260 2.810 1.937 2.956     .  0  0 "[    .    1    .    2]" 1 
        531 1  39 ALA HA   1  40 THR H    . . 3.440 2.658 2.205 2.928     .  0  0 "[    .    1    .    2]" 1 
        532 1  39 ALA MB   1  40 THR H    . . 3.850 2.401 1.915 3.672     .  0  0 "[    .    1    .    2]" 1 
        533 1  39 ALA MB   1  41 GLU H    . . 4.960 3.943 2.813 4.761     .  0  0 "[    .    1    .    2]" 1 
        534 1  40 THR H    1  40 THR HB   . . 3.040 2.377 2.239 2.543     .  0  0 "[    .    1    .    2]" 1 
        535 1  40 THR H    1  40 THR MG   . . 3.730 3.707 3.673 3.803 0.073 20  0 "[    .    1    .    2]" 1 
        536 1  40 THR H    1  41 GLU H    . . 3.850 2.761 2.071 3.425     .  0  0 "[    .    1    .    2]" 1 
        537 1  40 THR HA   1  40 THR MG   . . 3.470 2.518 2.402 2.622     .  0  0 "[    .    1    .    2]" 1 
        538 1  40 THR HB   1  41 GLU H    . . 3.230 2.261 2.046 2.780     .  0  0 "[    .    1    .    2]" 1 
        539 1  40 THR HB   1  42 THR H    . . 4.370 3.930 3.560 4.358     .  0  0 "[    .    1    .    2]" 1 
        540 1  40 THR MG   1  41 GLU H    . . 4.760 2.633 2.205 3.448     .  0  0 "[    .    1    .    2]" 1 
        541 1  41 GLU H    1  41 GLU HB2  . . 4.050 2.870 2.289 3.870     .  0  0 "[    .    1    .    2]" 1 
        542 1  41 GLU H    1  41 GLU HB3  . . 3.730 3.034 2.440 3.769 0.039 11  0 "[    .    1    .    2]" 1 
        543 1  41 GLU H    1  41 GLU QG   . . 4.200 3.563 1.922 4.151     .  0  0 "[    .    1    .    2]" 1 
        544 1  41 GLU H    1  42 THR H    . . 3.850 2.163 1.894 2.544     .  0  0 "[    .    1    .    2]" 1 
        545 1  41 GLU HA   1  41 GLU QG   . . 3.680 2.425 1.989 3.400     .  0  0 "[    .    1    .    2]" 1 
        546 1  41 GLU HA   1  42 THR H    . . 3.530 3.579 2.997 3.645 0.115 15  0 "[    .    1    .    2]" 1 
        547 1  41 GLU HB2  1  42 THR H    . . 4.240 3.532 2.712 4.292 0.052  8  0 "[    .    1    .    2]" 1 
        548 1  41 GLU HB3  1  42 THR H    . . 4.240 3.000 2.024 4.300 0.060  8  0 "[    .    1    .    2]" 1 
        549 1  41 GLU HB3  1  42 THR MG   . . 4.370 3.010 2.234 4.435 0.065 20  0 "[    .    1    .    2]" 1 
        550 1  41 GLU QG   1  42 THR H    . . 4.760 3.651 1.892 4.629     .  0  0 "[    .    1    .    2]" 1 
        551 1  41 GLU QG   1  42 THR MG   . . 4.540 3.433 1.892 4.545 0.005  8  0 "[    .    1    .    2]" 1 
        552 1  42 THR H    1  42 THR HB   . . 3.970 3.517 2.980 3.847     .  0  0 "[    .    1    .    2]" 1 
        553 1  42 THR H    1  42 THR MG   . . 3.900 2.475 1.985 3.441     .  0  0 "[    .    1    .    2]" 1 
        554 1  42 THR H    1  43 LEU H    . . 3.810 3.873 3.723 3.948 0.138  8  0 "[    .    1    .    2]" 1 
        555 1  42 THR HA   1  42 THR MG   . . 3.230 2.785 2.208 3.239 0.009 14  0 "[    .    1    .    2]" 1 
        556 1  42 THR HA   1  43 LEU H    . . 3.160 3.150 2.149 3.292 0.132 14  0 "[    .    1    .    2]" 1 
        557 1  42 THR HB   1  43 LEU H    . . 3.680 2.621 1.856 3.711 0.031  8  0 "[    .    1    .    2]" 1 
        558 1  42 THR HB   1  44 SER H    . . 4.850 3.873 2.534 4.578     .  0  0 "[    .    1    .    2]" 1 
        559 1  42 THR MG   1  43 LEU H    . . 3.900 2.926 1.872 3.936 0.036  8  0 "[    .    1    .    2]" 1 
        560 1  42 THR MG   1  44 SER H    . . 4.540 3.191 1.707 4.539     .  0  0 "[    .    1    .    2]" 1 
        561 1  43 LEU H    1  43 LEU HB2  . . 3.590 2.935 2.642 3.349     .  0  0 "[    .    1    .    2]" 1 
        562 1  43 LEU H    1  43 LEU HB3  . . 3.490 2.986 2.280 3.643 0.153  5  0 "[    .    1    .    2]" 1 
        563 1  43 LEU H    1  43 LEU QD   . . 4.280 3.452 2.724 3.918     .  0  0 "[    .    1    .    2]" 1 
        564 1  43 LEU H    1  44 SER H    . . 4.280 2.366 1.850 2.797     .  0  0 "[    .    1    .    2]" 1 
        565 1  43 LEU HA   1  43 LEU QD   . . 3.250 2.087 1.960 2.285     .  0  0 "[    .    1    .    2]" 1 
        566 1  43 LEU HA   1  43 LEU HG   . . 3.840 3.315 2.886 3.437     .  0  0 "[    .    1    .    2]" 1 
        567 1  43 LEU HA   1  44 SER H    . . 3.130 3.182 2.845 3.299 0.169 12  0 "[    .    1    .    2]" 1 
        568 1  43 LEU HA   1  45 SER H    . . 4.760 4.338 4.161 4.507     .  0  0 "[    .    1    .    2]" 1 
        569 1  43 LEU HB2  1  44 SER H    . . 4.540 4.290 3.834 4.650 0.110 11  0 "[    .    1    .    2]" 1 
        570 1  43 LEU HB3  1  44 SER H    . . 4.160 4.203 3.706 4.644 0.484  9  0 "[    .    1    .    2]" 1 
        571 1  43 LEU HB3  1  45 SER H    . . 4.530 3.720 3.086 4.509     .  0  0 "[    .    1    .    2]" 1 
        572 1  43 LEU QD   1  44 SER H    . . 4.600 4.261 4.142 4.400     .  0  0 "[    .    1    .    2]" 1 
        573 1  43 LEU QD   1  45 SER H    . . 4.850 4.022 3.619 4.431     .  0  0 "[    .    1    .    2]" 1 
        574 1  43 LEU QD   1  47 PRO HD3  . . 4.050 3.723 3.234 4.020     .  0  0 "[    .    1    .    2]" 1 
        575 1  43 LEU QD   1  47 PRO HG3  . . 4.370 3.820 3.129 4.153     .  0  0 "[    .    1    .    2]" 1 
        576 1  43 LEU QD   1  83 PHE HA   . . 3.600 3.035 2.035 3.571     .  0  0 "[    .    1    .    2]" 1 
        577 1  43 LEU QD   1  83 PHE HB2  . . 4.050 2.462 2.142 2.785     .  0  0 "[    .    1    .    2]" 1 
        578 1  43 LEU QD   1  83 PHE HB3  . . 4.370 3.549 2.553 3.932     .  0  0 "[    .    1    .    2]" 1 
        579 1  43 LEU QD   1  83 PHE QD   . . 3.890 3.106 2.603 3.645     .  0  0 "[    .    1    .    2]" 1 
        580 1  43 LEU HG   1  44 SER H    . . 4.540 4.550 4.405 4.682 0.142 11  0 "[    .    1    .    2]" 1 
        581 1  44 SER H    1  44 SER QB   . . 3.300 2.823 2.342 3.120     .  0  0 "[    .    1    .    2]" 1 
        582 1  44 SER H    1  45 SER H    . . 3.830 2.971 2.769 3.842 0.012 11  0 "[    .    1    .    2]" 1 
        583 1  44 SER HA   1  45 SER H    . . 3.110 2.912 2.509 3.044     .  0  0 "[    .    1    .    2]" 1 
        584 1  45 SER H    1  45 SER QB   . . 3.410 3.158 3.016 3.519 0.109 17  0 "[    .    1    .    2]" 1 
        585 1  45 SER HA   1  46 PRO HD2  . . 3.080 2.870 2.664 3.096 0.016 11  0 "[    .    1    .    2]" 1 
        586 1  45 SER HA   1  46 PRO HD3  . . 3.230 2.110 1.989 2.280     .  0  0 "[    .    1    .    2]" 1 
        587 1  45 SER HA   1  46 PRO HG3  . . 4.540 4.364 4.260 4.509     .  0  0 "[    .    1    .    2]" 1 
        588 1  45 SER QB   1  46 PRO HG2  . . 4.760 4.312 4.020 4.611     .  0  0 "[    .    1    .    2]" 1 
        589 1  46 PRO HA   1  47 PRO HD2  . . 3.500 2.603 2.519 2.775     .  0  0 "[    .    1    .    2]" 1 
        590 1  46 PRO HA   1  47 PRO HD3  . . 3.370 1.973 1.946 2.057     .  0  0 "[    .    1    .    2]" 1 
        591 1  46 PRO HA   1  47 PRO HG2  . . 4.760 4.555 4.497 4.683     .  0  0 "[    .    1    .    2]" 1 
        592 1  46 PRO HB2  1  47 PRO HD2  . . 4.140 2.816 2.402 3.022     .  0  0 "[    .    1    .    2]" 1 
        593 1  46 PRO HB2  1  47 PRO HD3  . . 4.370 3.768 3.441 3.925     .  0  0 "[    .    1    .    2]" 1 
        594 1  46 PRO HB3  1  47 PRO HD2  . . 4.370 3.128 2.917 3.245     .  0  0 "[    .    1    .    2]" 1 
        595 1  46 PRO HB3  1  47 PRO HD3  . . 4.370 3.628 3.378 3.753     .  0  0 "[    .    1    .    2]" 1 
        596 1  47 PRO HB2  1  73 ILE MD   . . 4.370 4.024 3.546 4.388 0.018 14  0 "[    .    1    .    2]" 1 
        597 1  47 PRO HB2  1  86 ALA MB   . . 4.240 3.636 3.062 4.164     .  0  0 "[    .    1    .    2]" 1 
        598 1  47 PRO HB3  1  48 LEU H    . . 4.370 4.212 3.531 4.618 0.248 11  0 "[    .    1    .    2]" 1 
        599 1  47 PRO HB3  1  86 ALA MB   . . 4.050 3.575 3.065 4.068 0.018  9  0 "[    .    1    .    2]" 1 
        600 1  47 PRO HD2  1  78 THR HB   . . 4.240 2.875 2.009 4.101     .  0  0 "[    .    1    .    2]" 1 
        601 1  47 PRO HD2  1  78 THR MG   . . 4.050 3.760 1.890 4.072 0.022 11  0 "[    .    1    .    2]" 1 
        602 1  47 PRO HD3  1  78 THR HB   . . 4.140 2.871 2.328 4.129     .  0  0 "[    .    1    .    2]" 1 
        603 1  47 PRO HG2  1  73 ILE MD   . . 4.240 3.094 2.334 3.804     .  0  0 "[    .    1    .    2]" 1 
        604 1  47 PRO HG2  1  78 THR HB   . . 4.540 2.920 2.269 4.239     .  0  0 "[    .    1    .    2]" 1 
        605 1  47 PRO HG2  1  86 ALA MB   . . 4.370 3.449 2.323 4.168     .  0  0 "[    .    1    .    2]" 1 
        606 1  47 PRO HG3  1  73 ILE MD   . . 4.140 3.729 2.830 4.148 0.008  3  0 "[    .    1    .    2]" 1 
        607 1  47 PRO HG3  1  78 THR HB   . . 4.240 2.759 1.988 4.145     .  0  0 "[    .    1    .    2]" 1 
        608 1  47 PRO HG3  1  78 THR MG   . . 3.900 3.388 2.818 3.890     .  0  0 "[    .    1    .    2]" 1 
        609 1  47 PRO HG3  1  86 ALA MB   . . 4.050 3.030 1.957 3.672     .  0  0 "[    .    1    .    2]" 1 
        610 1  48 LEU H    1  48 LEU HB2  . . 4.050 2.611 2.053 2.940     .  0  0 "[    .    1    .    2]" 1 
        611 1  48 LEU H    1  48 LEU QD   . . 4.140 2.943 2.380 3.505     .  0  0 "[    .    1    .    2]" 1 
        612 1  48 LEU H    1  48 LEU HG   . . 3.780 2.426 1.987 3.985 0.205 11  0 "[    .    1    .    2]" 1 
        613 1  48 LEU HA   1  48 LEU QD   . . 3.210 2.491 2.200 2.965     .  0  0 "[    .    1    .    2]" 1 
        614 1  48 LEU HA   1  48 LEU HG   . . 4.140 2.941 2.237 3.138     .  0  0 "[    .    1    .    2]" 1 
        615 1  48 LEU HA   1  49 ILE H    . . 3.210 2.267 2.184 2.505     .  0  0 "[    .    1    .    2]" 1 
        616 1  48 LEU HA   1  69 ARG HA   . . 3.730 3.575 3.392 3.771 0.041 10  0 "[    .    1    .    2]" 1 
        617 1  48 LEU HA   1  70 VAL H    . . 4.600 3.464 2.947 4.174     .  0  0 "[    .    1    .    2]" 1 
        618 1  48 LEU HA   1  70 VAL QG   . . 4.240 3.545 2.423 4.125     .  0  0 "[    .    1    .    2]" 1 
        619 1  48 LEU HB2  1  48 LEU QD   . . 3.260 2.167 2.051 2.258     .  0  0 "[    .    1    .    2]" 1 
        620 1  48 LEU HB2  1  49 ILE H    . . 4.370 3.951 3.290 4.444 0.074 11  0 "[    .    1    .    2]" 1 
        621 1  48 LEU HB2  1  67 GLY HA2  . . 4.540 3.010 2.364 4.139     .  0  0 "[    .    1    .    2]" 1 
        622 1  48 LEU HB3  1  49 ILE H    . . 4.140 3.111 2.536 3.447     .  0  0 "[    .    1    .    2]" 1 
        623 1  48 LEU HB3  1  67 GLY HA2  . . 4.240 2.237 2.042 2.675     .  0  0 "[    .    1    .    2]" 1 
        624 1  48 LEU HB3  1  67 GLY HA3  . . 4.760 3.469 2.983 4.260     .  0  0 "[    .    1    .    2]" 1 
        625 1  48 LEU QD   1  49 ILE H    . . 4.340 3.862 3.432 4.115     .  0  0 "[    .    1    .    2]" 1 
        626 1  48 LEU QD   1  67 GLY HA2  . . 3.900 3.181 1.959 3.459     .  0  0 "[    .    1    .    2]" 1 
        627 1  48 LEU QD   1  67 GLY HA3  . . 4.140 3.582 2.121 3.845     .  0  0 "[    .    1    .    2]" 1 
        628 1  48 LEU QD   1  69 ARG HA   . . 3.570 2.218 1.947 3.191     .  0  0 "[    .    1    .    2]" 1 
        629 1  48 LEU QD   1  69 ARG QB   . . 4.760 3.086 2.756 3.738     .  0  0 "[    .    1    .    2]" 1 
        630 1  48 LEU QD   1  69 ARG QD   . . 3.680 3.379 2.966 3.559     .  0  0 "[    .    1    .    2]" 1 
        631 1  49 ILE H    1  49 ILE HB   . . 3.600 2.246 2.111 2.384     .  0  0 "[    .    1    .    2]" 1 
        632 1  49 ILE H    1  49 ILE MD   . . 3.780 3.634 3.433 3.798 0.018 12  0 "[    .    1    .    2]" 1 
        633 1  49 ILE H    1  49 ILE HG12 . . 3.760 3.601 3.235 3.960 0.200 11  0 "[    .    1    .    2]" 1 
        634 1  49 ILE H    1  49 ILE HG13 . . 4.050 2.409 2.098 2.805     .  0  0 "[    .    1    .    2]" 1 
        635 1  49 ILE H    1  49 ILE MG   . . 3.650 3.650 3.549 3.703 0.053 15  0 "[    .    1    .    2]" 1 
        636 1  49 ILE H    1  50 SER H    . . 5.240 4.318 4.086 4.502     .  0  0 "[    .    1    .    2]" 1 
        637 1  49 ILE H    1  67 GLY H    . . 4.850 3.198 2.727 3.593     .  0  0 "[    .    1    .    2]" 1 
        638 1  49 ILE H    1  68 ASP H    . . 4.760 2.433 2.063 2.794     .  0  0 "[    .    1    .    2]" 1 
        639 1  49 ILE H    1  69 ARG HA   . . 4.960 4.915 4.726 5.032 0.072 11  0 "[    .    1    .    2]" 1 
        640 1  49 ILE HA   1  49 ILE MD   . . 3.780 3.753 3.715 3.781 0.001  8  0 "[    .    1    .    2]" 1 
        641 1  49 ILE HA   1  49 ILE HG12 . . 4.140 2.401 2.325 2.526     .  0  0 "[    .    1    .    2]" 1 
        642 1  49 ILE HA   1  49 ILE HG13 . . 4.050 2.812 2.551 3.060     .  0  0 "[    .    1    .    2]" 1 
        643 1  49 ILE HA   1  49 ILE MG   . . 3.300 2.563 2.499 2.700     .  0  0 "[    .    1    .    2]" 1 
        644 1  49 ILE HA   1  50 SER H    . . 3.280 2.223 2.176 2.330     .  0  0 "[    .    1    .    2]" 1 
        645 1  49 ILE HA   1  51 TYR H    . . 4.040 4.010 3.868 4.060 0.020 10  0 "[    .    1    .    2]" 1 
        646 1  49 ILE HB   1  49 ILE MD   . . 3.420 2.315 2.162 2.477     .  0  0 "[    .    1    .    2]" 1 
        647 1  49 ILE HB   1  66 ILE HA   . . 3.780 3.263 2.787 3.587     .  0  0 "[    .    1    .    2]" 1 
        648 1  49 ILE HB   1  67 GLY H    . . 3.970 2.311 1.974 2.619     .  0  0 "[    .    1    .    2]" 1 
        649 1  49 ILE HB   1  68 ASP H    . . 3.970 2.038 1.936 2.267     .  0  0 "[    .    1    .    2]" 1 
        650 1  49 ILE HB   1  68 ASP QB   . . 4.370 2.761 2.173 3.298     .  0  0 "[    .    1    .    2]" 1 
        651 1  49 ILE MD   1  52 ILE MD   . . 3.840 2.790 2.376 3.044     .  0  0 "[    .    1    .    2]" 1 
        652 1  49 ILE MD   1  52 ILE HG13 . . 4.540 3.779 3.474 4.109     .  0  0 "[    .    1    .    2]" 1 
        653 1  49 ILE MD   1  64 LEU HA   . . 4.370 3.416 3.055 3.761     .  0  0 "[    .    1    .    2]" 1 
        654 1  49 ILE MD   1  64 LEU HB2  . . 3.730 3.392 2.502 3.725     .  0  0 "[    .    1    .    2]" 1 
        655 1  49 ILE MD   1  64 LEU HB3  . . 3.600 2.169 1.836 2.447     .  0  0 "[    .    1    .    2]" 1 
        656 1  49 ILE MD   1  65 GLN H    . . 4.370 3.644 2.728 4.307     .  0  0 "[    .    1    .    2]" 1 
        657 1  49 ILE MD   1  66 ILE HA   . . 4.760 4.152 3.802 4.403     .  0  0 "[    .    1    .    2]" 1 
        658 1  49 ILE MD   1  67 GLY H    . . 4.760 4.128 3.869 4.462     .  0  0 "[    .    1    .    2]" 1 
        659 1  49 ILE MD   1  68 ASP H    . . 4.240 3.374 2.994 3.686     .  0  0 "[    .    1    .    2]" 1 
        660 1  49 ILE MD   1  68 ASP QB   . . 3.390 2.344 1.979 2.798     .  0  0 "[    .    1    .    2]" 1 
        661 1  49 ILE HG12 1  49 ILE MG   . . 3.730 2.456 2.352 2.529     .  0  0 "[    .    1    .    2]" 1 
        662 1  49 ILE HG12 1  68 ASP QB   . . 4.760 4.225 3.445 5.117 0.357  5  0 "[    .    1    .    2]" 1 
        663 1  49 ILE MG   1  50 SER H    . . 3.680 3.249 2.956 3.607     .  0  0 "[    .    1    .    2]" 1 
        664 1  49 ILE MG   1  50 SER HA   . . 4.370 4.203 3.901 4.379 0.009 11  0 "[    .    1    .    2]" 1 
        665 1  49 ILE MG   1  51 TYR H    . . 3.420 2.856 2.618 3.097     .  0  0 "[    .    1    .    2]" 1 
        666 1  49 ILE MG   1  52 ILE HB   . . 4.240 4.001 3.843 4.219     .  0  0 "[    .    1    .    2]" 1 
        667 1  49 ILE MG   1  52 ILE MD   . . 2.920 2.134 1.807 2.344     .  0  0 "[    .    1    .    2]" 1 
        668 1  49 ILE MG   1  52 ILE HG12 . . 3.730 2.120 1.911 2.376     .  0  0 "[    .    1    .    2]" 1 
        669 1  49 ILE MG   1  52 ILE HG13 . . 3.470 1.988 1.869 2.146     .  0  0 "[    .    1    .    2]" 1 
        670 1  49 ILE MG   1  66 ILE H    . . 4.530 4.245 3.969 4.522     .  0  0 "[    .    1    .    2]" 1 
        671 1  49 ILE MG   1  66 ILE HA   . . 3.320 2.154 1.969 2.603     .  0  0 "[    .    1    .    2]" 1 
        672 1  49 ILE MG   1  66 ILE HG12 . . 3.900 3.750 3.524 3.912 0.012 15  0 "[    .    1    .    2]" 1 
        673 1  49 ILE MG   1  67 GLY H    . . 3.970 2.682 2.178 3.064     .  0  0 "[    .    1    .    2]" 1 
        674 1  49 ILE MG   1  68 ASP H    . . 4.540 3.526 3.257 3.798     .  0  0 "[    .    1    .    2]" 1 
        675 1  50 SER H    1  50 SER HB2  . . 4.050 2.687 2.305 3.286     .  0  0 "[    .    1    .    2]" 1 
        676 1  50 SER H    1  51 TYR H    . . 3.250 2.818 2.488 3.171     .  0  0 "[    .    1    .    2]" 1 
        677 1  50 SER HB2  1  51 TYR H    . . 4.540 3.880 3.629 4.131     .  0  0 "[    .    1    .    2]" 1 
        678 1  50 SER HB3  1  51 TYR H    . . 5.100 2.495 2.236 3.129     .  0  0 "[    .    1    .    2]" 1 
        679 1  51 TYR H    1  51 TYR HB2  . . 3.960 3.201 3.065 3.345     .  0  0 "[    .    1    .    2]" 1 
        680 1  51 TYR H    1  51 TYR QD   . . 4.850 4.255 4.128 4.350     .  0  0 "[    .    1    .    2]" 1 
        681 1  51 TYR H    1  52 ILE H    . . 4.850 4.409 4.365 4.446     .  0  0 "[    .    1    .    2]" 1 
        682 1  51 TYR H    1  66 ILE MD   . . 4.370 3.716 3.444 3.806     .  0  0 "[    .    1    .    2]" 1 
        683 1  51 TYR H    1  66 ILE MG   . . 4.760 4.673 4.400 4.781 0.021 15  0 "[    .    1    .    2]" 1 
        684 1  51 TYR HA   1  51 TYR QD   . . 3.110 2.758 2.624 2.895     .  0  0 "[    .    1    .    2]" 1 
        685 1  51 TYR HA   1  52 ILE H    . . 3.010 2.391 2.320 2.497     .  0  0 "[    .    1    .    2]" 1 
        686 1  51 TYR HA   1  52 ILE HA   . . 4.540 4.416 4.380 4.462     .  0  0 "[    .    1    .    2]" 1 
        687 1  51 TYR HA   1  52 ILE HB   . . 4.540 4.497 4.395 4.547 0.007  8  0 "[    .    1    .    2]" 1 
        688 1  51 TYR HA   1  66 ILE MD   . . 3.260 1.815 1.755 1.847     .  0  0 "[    .    1    .    2]" 1 
        689 1  51 TYR HA   1  66 ILE HG12 . . 4.370 4.454 4.419 4.501 0.131  2  0 "[    .    1    .    2]" 1 
        690 1  51 TYR HA   1  66 ILE HG13 . . 4.370 4.273 3.753 4.400 0.030 17  0 "[    .    1    .    2]" 1 
        691 1  51 TYR HA   1  66 ILE MG   . . 3.780 3.111 2.618 3.214     .  0  0 "[    .    1    .    2]" 1 
        692 1  51 TYR HB2  1  52 ILE H    . . 4.540 3.995 3.894 4.073     .  0  0 "[    .    1    .    2]" 1 
        693 1  51 TYR HB3  1  52 ILE H    . . 4.370 3.883 3.645 4.110     .  0  0 "[    .    1    .    2]" 1 
        694 1  51 TYR HB3  1  66 ILE MD   . . 4.540 4.249 4.165 4.295     .  0  0 "[    .    1    .    2]" 1 
        695 1  51 TYR QD   1  52 ILE H    . . 3.080 3.051 2.874 3.098 0.018  8  0 "[    .    1    .    2]" 1 
        696 1  51 TYR QD   1  53 GLU HA   . . 3.890 3.566 3.313 3.816     .  0  0 "[    .    1    .    2]" 1 
        697 1  51 TYR QD   1  53 GLU QG   . . 4.540 4.006 3.706 4.291     .  0  0 "[    .    1    .    2]" 1 
        698 1  51 TYR QD   1  66 ILE MD   . . 3.770 2.873 2.456 3.257     .  0  0 "[    .    1    .    2]" 1 
        699 1  51 TYR QE   1  53 GLU HA   . . 3.080 2.079 1.989 2.281     .  0  0 "[    .    1    .    2]" 1 
        700 1  51 TYR QE   1  53 GLU QB   . . 4.050 3.930 3.635 4.067 0.017 19  0 "[    .    1    .    2]" 1 
        701 1  51 TYR QE   1  53 GLU QG   . . 3.460 2.711 2.398 2.918     .  0  0 "[    .    1    .    2]" 1 
        702 1  51 TYR QE   1  54 ALA H    . . 3.890 3.748 3.533 3.918 0.028  2  0 "[    .    1    .    2]" 1 
        703 1  52 ILE H    1  52 ILE HB   . . 3.560 2.621 2.481 2.742     .  0  0 "[    .    1    .    2]" 1 
        704 1  52 ILE H    1  52 ILE MD   . . 4.070 3.775 3.509 3.999     .  0  0 "[    .    1    .    2]" 1 
        705 1  52 ILE H    1  52 ILE HG13 . . 4.240 2.920 2.790 3.153     .  0  0 "[    .    1    .    2]" 1 
        706 1  52 ILE H    1  52 ILE MG   . . 4.240 3.818 3.741 3.874     .  0  0 "[    .    1    .    2]" 1 
        707 1  52 ILE H    1  53 GLU H    . . 4.850 4.119 3.991 4.187     .  0  0 "[    .    1    .    2]" 1 
        708 1  52 ILE H    1  66 ILE MD   . . 3.440 2.025 1.928 2.204     .  0  0 "[    .    1    .    2]" 1 
        709 1  52 ILE H    1  66 ILE HG12 . . 4.760 4.326 4.204 4.520     .  0  0 "[    .    1    .    2]" 1 
        710 1  52 ILE H    1  66 ILE MG   . . 4.530 4.525 4.349 4.560 0.030 18  0 "[    .    1    .    2]" 1 
        711 1  52 ILE HA   1  52 ILE MD   . . 3.900 3.870 3.829 3.890     .  0  0 "[    .    1    .    2]" 1 
        712 1  52 ILE HA   1  52 ILE HG12 . . 3.970 2.729 2.606 2.843     .  0  0 "[    .    1    .    2]" 1 
        713 1  52 ILE HA   1  52 ILE HG13 . . 3.840 2.771 2.574 2.934     .  0  0 "[    .    1    .    2]" 1 
        714 1  52 ILE HA   1  52 ILE MG   . . 3.350 2.459 2.414 2.530     .  0  0 "[    .    1    .    2]" 1 
        715 1  52 ILE HA   1  53 GLU H    . . 3.300 2.186 2.180 2.199     .  0  0 "[    .    1    .    2]" 1 
        716 1  52 ILE HA   1  66 ILE MD   . . 4.370 3.846 3.691 3.994     .  0  0 "[    .    1    .    2]" 1 
        717 1  52 ILE HB   1  52 ILE MD   . . 3.060 2.097 1.994 2.198     .  0  0 "[    .    1    .    2]" 1 
        718 1  52 ILE HB   1  53 GLU H    . . 4.530 4.478 4.431 4.531 0.001 18  0 "[    .    1    .    2]" 1 
        719 1  52 ILE HB   1  66 ILE MD   . . 4.050 2.588 2.323 2.753     .  0  0 "[    .    1    .    2]" 1 
        720 1  52 ILE MD   1  64 LEU H    . . 4.540 4.374 4.001 4.554 0.014 18  0 "[    .    1    .    2]" 1 
        721 1  52 ILE MD   1  64 LEU HB2  . . 3.600 2.775 2.328 2.961     .  0  0 "[    .    1    .    2]" 1 
        722 1  52 ILE MD   1  64 LEU HB3  . . 3.600 2.868 2.379 3.495     .  0  0 "[    .    1    .    2]" 1 
        723 1  52 ILE MD   1  64 LEU QD   . . 3.900 3.585 3.334 3.713     .  0  0 "[    .    1    .    2]" 1 
        724 1  52 ILE MD   1  65 GLN HA   . . 3.300 2.953 2.858 3.120     .  0  0 "[    .    1    .    2]" 1 
        725 1  52 ILE MD   1  65 GLN HB2  . . 4.880 4.903 4.623 5.048 0.168 12  0 "[    .    1    .    2]" 1 
        726 1  52 ILE MD   1  65 GLN QG   . . 4.370 4.290 4.040 4.437 0.067 19  0 "[    .    1    .    2]" 1 
        727 1  52 ILE MD   1  66 ILE H    . . 3.680 2.951 2.658 3.296     .  0  0 "[    .    1    .    2]" 1 
        728 1  52 ILE MD   1  66 ILE HA   . . 4.540 2.473 2.269 2.714     .  0  0 "[    .    1    .    2]" 1 
        729 1  52 ILE MD   1  66 ILE HG12 . . 3.840 2.211 1.985 2.434     .  0  0 "[    .    1    .    2]" 1 
        730 1  52 ILE MD   1  66 ILE HG13 . . 4.760 3.629 3.329 3.809     .  0  0 "[    .    1    .    2]" 1 
        731 1  52 ILE MD   1  66 ILE MG   . . 3.970 3.960 3.902 3.992 0.022 19  0 "[    .    1    .    2]" 1 
        732 1  52 ILE HG13 1  52 ILE MG   . . 3.640 3.205 3.165 3.233     .  0  0 "[    .    1    .    2]" 1 
        733 1  52 ILE MG   1  53 GLU H    . . 3.600 3.157 3.021 3.278     .  0  0 "[    .    1    .    2]" 1 
        734 1  52 ILE MG   1  53 GLU QB   . . 4.370 3.993 3.887 4.109     .  0  0 "[    .    1    .    2]" 1 
        735 1  52 ILE MG   1  56 SER H    . . 4.760 4.682 4.576 4.814 0.054 19  0 "[    .    1    .    2]" 1 
        736 1  52 ILE MG   1  56 SER HG   . . 3.900 2.737 2.465 3.051     .  0  0 "[    .    1    .    2]" 1 
        737 1  52 ILE MG   1  58 ALA H    . . 4.850 4.086 3.926 4.325     .  0  0 "[    .    1    .    2]" 1 
        738 1  52 ILE MG   1  58 ALA MB   . . 3.030 2.141 2.008 2.426     .  0  0 "[    .    1    .    2]" 1 
        739 1  52 ILE MG   1  59 GLU H    . . 3.680 3.220 2.843 3.502     .  0  0 "[    .    1    .    2]" 1 
        740 1  52 ILE MG   1  59 GLU HA   . . 3.260 2.534 2.236 2.782     .  0  0 "[    .    1    .    2]" 1 
        741 1  52 ILE MG   1  59 GLU HB2  . . 3.350 2.077 1.917 2.544     .  0  0 "[    .    1    .    2]" 1 
        742 1  52 ILE MG   1  59 GLU HB3  . . 3.730 3.532 3.359 3.740 0.010 19  0 "[    .    1    .    2]" 1 
        743 1  52 ILE MG   1  59 GLU QG   . . 3.840 3.522 3.404 3.843 0.003 19  0 "[    .    1    .    2]" 1 
        744 1  52 ILE MG   1  60 ARG H    . . 5.120 4.754 4.511 5.017     .  0  0 "[    .    1    .    2]" 1 
        745 1  52 ILE MG   1  64 LEU HB2  . . 4.760 3.543 3.326 3.808     .  0  0 "[    .    1    .    2]" 1 
        746 1  53 GLU H    1  53 GLU QB   . . 3.190 2.027 2.001 2.070     .  0  0 "[    .    1    .    2]" 1 
        747 1  53 GLU H    1  53 GLU QG   . . 4.140 3.541 3.431 3.628     .  0  0 "[    .    1    .    2]" 1 
        748 1  53 GLU H    1  54 ALA H    . . 4.960 4.672 4.668 4.674     .  0  0 "[    .    1    .    2]" 1 
        749 1  53 GLU H    1  56 SER HB3  . . 5.240 4.403 4.251 4.530     .  0  0 "[    .    1    .    2]" 1 
        750 1  53 GLU H    1  56 SER HG   . . 4.850 3.953 3.564 4.493     .  0  0 "[    .    1    .    2]" 1 
        751 1  53 GLU HA   1  53 GLU QG   . . 3.730 2.090 1.996 2.294     .  0  0 "[    .    1    .    2]" 1 
        752 1  53 GLU HA   1  54 ALA H    . . 2.820 2.390 2.355 2.446     .  0  0 "[    .    1    .    2]" 1 
        753 1  53 GLU HA   1  54 ALA MB   . . 3.970 3.957 3.925 3.975 0.005 18  0 "[    .    1    .    2]" 1 
        754 1  53 GLU QB   1  54 ALA H    . . 3.900 3.101 2.758 3.282     .  0  0 "[    .    1    .    2]" 1 
        755 1  53 GLU QB   1  54 ALA MB   . . 4.540 4.467 4.250 4.558 0.018 18  0 "[    .    1    .    2]" 1 
        756 1  53 GLU QB   1  56 SER H    . . 4.760 4.229 4.046 4.419     .  0  0 "[    .    1    .    2]" 1 
        757 1  53 GLU QB   1  56 SER HA   . . 4.540 4.513 4.351 4.577 0.037 15  0 "[    .    1    .    2]" 1 
        758 1  53 GLU QB   1  56 SER HB2  . . 3.900 3.034 2.754 3.317     .  0  0 "[    .    1    .    2]" 1 
        759 1  53 GLU QB   1  56 SER HB3  . . 3.600 2.255 2.031 2.469     .  0  0 "[    .    1    .    2]" 1 
        760 1  53 GLU QB   1  56 SER HG   . . 4.050 3.309 2.975 3.749     .  0  0 "[    .    1    .    2]" 1 
        761 1  53 GLU QB   1  58 ALA MB   . . 4.370 4.262 4.073 4.363     .  0  0 "[    .    1    .    2]" 1 
        762 1  53 GLU QG   1  54 ALA H    . . 4.140 2.623 2.390 2.965     .  0  0 "[    .    1    .    2]" 1 
        763 1  53 GLU QG   1  54 ALA MB   . . 4.540 4.108 3.934 4.396     .  0  0 "[    .    1    .    2]" 1 
        764 1  54 ALA H    1  54 ALA MB   . . 2.850 2.084 2.054 2.120     .  0  0 "[    .    1    .    2]" 1 
        765 1  54 ALA H    1  55 ASP H    . . 5.090 4.587 4.569 4.609     .  0  0 "[    .    1    .    2]" 1 
        766 1  54 ALA HA   1  55 ASP H    . . 2.920 2.477 2.406 2.551     .  0  0 "[    .    1    .    2]" 1 
        767 1  54 ALA HA   1  56 SER H    . . 4.240 3.052 2.992 3.195     .  0  0 "[    .    1    .    2]" 1 
        768 1  54 ALA HA   1  59 GLU QG   . . 4.240 3.332 2.889 3.623     .  0  0 "[    .    1    .    2]" 1 
        769 1  54 ALA MB   1  55 ASP H    . . 3.420 2.481 2.320 2.657     .  0  0 "[    .    1    .    2]" 1 
        770 1  54 ALA MB   1  55 ASP HA   . . 4.140 4.100 4.050 4.146 0.006  1  0 "[    .    1    .    2]" 1 
        771 1  54 ALA MB   1  55 ASP HB2  . . 4.540 3.193 3.124 3.356     .  0  0 "[    .    1    .    2]" 1 
        772 1  54 ALA MB   1  55 ASP HB3  . . 4.140 4.172 3.810 4.529 0.389 19  0 "[    .    1    .    2]" 1 
        773 1  55 ASP H    1  55 ASP HB2  . . 4.050 3.000 2.902 3.118     .  0  0 "[    .    1    .    2]" 1 
        774 1  55 ASP H    1  55 ASP HB3  . . 4.140 3.798 3.604 3.992     .  0  0 "[    .    1    .    2]" 1 
        775 1  55 ASP H    1  56 SER H    . . 3.720 2.748 2.644 2.850     .  0  0 "[    .    1    .    2]" 1 
        776 1  55 ASP H    1  59 GLU HB2  . . 5.240 4.875 4.452 5.085     .  0  0 "[    .    1    .    2]" 1 
        777 1  55 ASP H    1  59 GLU HB3  . . 4.540 3.888 3.462 4.154     .  0  0 "[    .    1    .    2]" 1 
        778 1  55 ASP H    1  59 GLU QG   . . 4.540 4.054 3.684 4.244     .  0  0 "[    .    1    .    2]" 1 
        779 1  56 SER H    1  56 SER HB2  . . 4.130 3.624 3.511 3.709     .  0  0 "[    .    1    .    2]" 1 
        780 1  56 SER H    1  56 SER HB3  . . 3.770 2.449 2.278 2.618     .  0  0 "[    .    1    .    2]" 1 
        781 1  56 SER H    1  56 SER HG   . . 3.530 3.153 2.510 3.529     .  0  0 "[    .    1    .    2]" 1 
        782 1  56 SER H    1  57 PRO HD3  . . 4.760 4.816 4.808 4.825 0.065  1  0 "[    .    1    .    2]" 1 
        783 1  56 SER H    1  59 GLU H    . . 4.200 3.750 3.539 3.876     .  0  0 "[    .    1    .    2]" 1 
        784 1  56 SER H    1  59 GLU HB2  . . 3.870 3.723 3.509 3.856     .  0  0 "[    .    1    .    2]" 1 
        785 1  56 SER H    1  59 GLU HB3  . . 3.710 2.915 2.658 3.140     .  0  0 "[    .    1    .    2]" 1 
        786 1  56 SER H    1  59 GLU QG   . . 4.540 4.355 4.152 4.556 0.016 12  0 "[    .    1    .    2]" 1 
        787 1  56 SER H    1  60 ARG H    . . 4.760 4.452 3.910 4.778 0.018 19  0 "[    .    1    .    2]" 1 
        788 1  56 SER HA   1  57 PRO HD2  . . 3.600 2.928 2.861 3.011     .  0  0 "[    .    1    .    2]" 1 
        789 1  56 SER HA   1  57 PRO HD3  . . 3.470 2.145 2.097 2.208     .  0  0 "[    .    1    .    2]" 1 
        790 1  56 SER HA   1  58 ALA H    . . 5.240 4.132 4.040 4.298     .  0  0 "[    .    1    .    2]" 1 
        791 1  56 SER HB2  1  57 PRO HD2  . . 3.640 2.151 1.971 2.438     .  0  0 "[    .    1    .    2]" 1 
        792 1  56 SER HB2  1  57 PRO HD3  . . 3.730 2.804 2.630 2.990     .  0  0 "[    .    1    .    2]" 1 
        793 1  56 SER HB2  1  58 ALA H    . . 3.850 3.317 3.045 3.588     .  0  0 "[    .    1    .    2]" 1 
        794 1  56 SER HB3  1  57 PRO HD2  . . 3.970 3.678 3.577 3.776     .  0  0 "[    .    1    .    2]" 1 
        795 1  56 SER HB3  1  58 ALA H    . . 4.370 4.058 3.859 4.217     .  0  0 "[    .    1    .    2]" 1 
        796 1  56 SER HG   1  58 ALA H    . . 4.960 2.839 2.282 3.364     .  0  0 "[    .    1    .    2]" 1 
        797 1  56 SER HG   1  59 GLU H    . . 3.980 2.512 1.987 2.913     .  0  0 "[    .    1    .    2]" 1 
        798 1  56 SER HG   1  59 GLU HB2  . . 4.540 2.903 2.409 3.813     .  0  0 "[    .    1    .    2]" 1 
        799 1  57 PRO HA   1  59 GLU H    . . 4.960 3.824 3.632 4.279     .  0  0 "[    .    1    .    2]" 1 
        800 1  57 PRO HA   1  60 ARG H    . . 4.240 2.937 2.821 3.122     .  0  0 "[    .    1    .    2]" 1 
        801 1  57 PRO HA   1  60 ARG HB2  . . 3.530 2.043 1.984 2.239     .  0  0 "[    .    1    .    2]" 1 
        802 1  57 PRO HA   1  60 ARG HB3  . . 4.050 3.633 3.540 3.870     .  0  0 "[    .    1    .    2]" 1 
        803 1  57 PRO HA   1  60 ARG HD2  . . 4.240 3.847 2.589 4.576 0.336 14  0 "[    .    1    .    2]" 1 
        804 1  57 PRO HA   1  60 ARG HG2  . . 4.540 4.229 3.760 4.479     .  0  0 "[    .    1    .    2]" 1 
        805 1  57 PRO HA   1  60 ARG HG3  . . 4.370 2.781 2.207 3.109     .  0  0 "[    .    1    .    2]" 1 
        806 1  57 PRO HA   1  61 CYS H    . . 4.760 4.018 3.662 4.271     .  0  0 "[    .    1    .    2]" 1 
        807 1  57 PRO HB2  1  58 ALA H    . . 3.870 3.650 3.505 3.764     .  0  0 "[    .    1    .    2]" 1 
        808 1  57 PRO HB3  1  58 ALA H    . . 4.420 4.415 4.335 4.476 0.056 12  0 "[    .    1    .    2]" 1 
        809 1  57 PRO HB3  1  60 ARG H    . . 5.440 5.205 5.072 5.413     .  0  0 "[    .    1    .    2]" 1 
        810 1  57 PRO HD2  1  58 ALA H    . . 4.140 2.340 2.275 2.413     .  0  0 "[    .    1    .    2]" 1 
        811 1  57 PRO HD3  1  58 ALA H    . . 4.320 3.673 3.656 3.697     .  0  0 "[    .    1    .    2]" 1 
        812 1  57 PRO HG2  1  58 ALA H    . . 4.420 3.272 3.078 3.434     .  0  0 "[    .    1    .    2]" 1 
        813 1  57 PRO HG3  1  58 ALA H    . . 4.530 4.361 4.234 4.468     .  0  0 "[    .    1    .    2]" 1 
        814 1  58 ALA H    1  58 ALA MB   . . 3.000 2.135 2.058 2.180     .  0  0 "[    .    1    .    2]" 1 
        815 1  58 ALA H    1  60 ARG H    . . 5.240 3.776 3.592 3.988     .  0  0 "[    .    1    .    2]" 1 
        816 1  58 ALA H    1  64 LEU QD   . . 4.670 4.384 4.117 4.647     .  0  0 "[    .    1    .    2]" 1 
        817 1  58 ALA HA   1  61 CYS H    . . 4.760 4.103 3.756 4.484     .  0  0 "[    .    1    .    2]" 1 
        818 1  58 ALA HA   1  64 LEU QD   . . 3.390 2.221 1.927 2.532     .  0  0 "[    .    1    .    2]" 1 
        819 1  58 ALA MB   1  59 GLU H    . . 3.940 2.892 2.639 2.972     .  0  0 "[    .    1    .    2]" 1 
        820 1  58 ALA MB   1  59 GLU HA   . . 4.050 3.967 3.833 3.994     .  0  0 "[    .    1    .    2]" 1 
        821 1  58 ALA MB   1  59 GLU HB2  . . 4.370 3.916 3.783 4.170     .  0  0 "[    .    1    .    2]" 1 
        822 1  58 ALA MB   1  61 CYS H    . . 5.440 5.188 4.858 5.465 0.025 14  0 "[    .    1    .    2]" 1 
        823 1  58 ALA MB   1  64 LEU QD   . . 2.940 2.155 1.975 2.634     .  0  0 "[    .    1    .    2]" 1 
        824 1  59 GLU H    1  59 GLU HB2  . . 3.690 2.646 2.444 2.987     .  0  0 "[    .    1    .    2]" 1 
        825 1  59 GLU H    1  59 GLU HB3  . . 3.650 2.562 2.270 2.653     .  0  0 "[    .    1    .    2]" 1 
        826 1  59 GLU H    1  59 GLU QG   . . 4.140 4.052 4.021 4.084     .  0  0 "[    .    1    .    2]" 1 
        827 1  59 GLU H    1  60 ARG H    . . 3.460 2.192 2.120 2.444     .  0  0 "[    .    1    .    2]" 1 
        828 1  59 GLU H    1  60 ARG HB2  . . 4.670 4.072 3.966 4.389     .  0  0 "[    .    1    .    2]" 1 
        829 1  59 GLU HA   1  59 GLU QG   . . 3.080 2.685 2.419 2.787     .  0  0 "[    .    1    .    2]" 1 
        830 1  59 GLU HA   1  62 GLY H    . . 3.870 3.176 2.918 3.344     .  0  0 "[    .    1    .    2]" 1 
        831 1  59 GLU HB2  1  60 ARG H    . . 4.320 4.043 3.791 4.236     .  0  0 "[    .    1    .    2]" 1 
        832 1  59 GLU HB3  1  60 ARG H    . . 3.940 3.041 2.686 3.422     .  0  0 "[    .    1    .    2]" 1 
        833 1  59 GLU QG   1  60 ARG H    . . 4.370 4.125 3.899 4.362     .  0  0 "[    .    1    .    2]" 1 
        834 1  59 GLU QG   1  60 ARG HA   . . 4.240 4.093 3.905 4.246 0.006 10  0 "[    .    1    .    2]" 1 
        835 1  60 ARG H    1  60 ARG HB2  . . 3.330 2.184 2.073 2.291     .  0  0 "[    .    1    .    2]" 1 
        836 1  60 ARG H    1  60 ARG HB3  . . 4.040 3.464 3.371 3.525     .  0  0 "[    .    1    .    2]" 1 
        837 1  60 ARG H    1  60 ARG HD2  . . 5.440 4.843 4.315 5.153     .  0  0 "[    .    1    .    2]" 1 
        838 1  60 ARG H    1  60 ARG HG2  . . 3.780 3.413 3.058 3.745     .  0  0 "[    .    1    .    2]" 1 
        839 1  60 ARG H    1  60 ARG HG3  . . 3.900 2.996 2.705 3.316     .  0  0 "[    .    1    .    2]" 1 
        840 1  60 ARG H    1  61 CYS H    . . 3.760 2.814 2.456 3.104     .  0  0 "[    .    1    .    2]" 1 
        841 1  60 ARG H    1  62 GLY H    . . 5.240 4.001 3.674 4.181     .  0  0 "[    .    1    .    2]" 1 
        842 1  60 ARG HA   1  60 ARG HD2  . . 4.540 4.294 3.940 4.534     .  0  0 "[    .    1    .    2]" 1 
        843 1  60 ARG HA   1  60 ARG HD3  . . 4.370 3.875 3.454 4.433 0.063 14  0 "[    .    1    .    2]" 1 
        844 1  60 ARG HA   1  60 ARG HG2  . . 3.190 2.094 2.001 2.264     .  0  0 "[    .    1    .    2]" 1 
        845 1  60 ARG HA   1  60 ARG HG3  . . 3.320 3.178 2.870 3.332 0.012  3  0 "[    .    1    .    2]" 1 
        846 1  60 ARG HA   1  62 GLY H    . . 4.540 4.332 4.001 4.558 0.018 10  0 "[    .    1    .    2]" 1 
        847 1  60 ARG HB2  1  60 ARG HD2  . . 4.140 3.053 2.530 4.078     .  0  0 "[    .    1    .    2]" 1 
        848 1  60 ARG HB2  1  61 CYS H    . . 4.010 2.677 2.465 2.851     .  0  0 "[    .    1    .    2]" 1 
        849 1  60 ARG HB3  1  60 ARG HD2  . . 3.680 2.488 2.014 3.551     .  0  0 "[    .    1    .    2]" 1 
        850 1  60 ARG HB3  1  61 CYS H    . . 4.420 3.114 2.655 3.489     .  0  0 "[    .    1    .    2]" 1 
        851 1  60 ARG HG3  1  61 CYS H    . . 5.240 4.780 4.646 4.927     .  0  0 "[    .    1    .    2]" 1 
        852 1  61 CYS H    1  61 CYS HB2  . . 3.590 2.633 2.060 3.564     .  0  0 "[    .    1    .    2]" 1 
        853 1  61 CYS H    1  61 CYS HB3  . . 3.830 3.163 2.499 3.568     .  0  0 "[    .    1    .    2]" 1 
        854 1  61 CYS H    1  61 CYS HG   . . 4.160 3.375 1.949 4.254 0.094  4  0 "[    .    1    .    2]" 1 
        855 1  61 CYS H    1  62 GLY H    . . 3.550 2.660 2.527 2.710     .  0  0 "[    .    1    .    2]" 1 
        856 1  61 CYS H    1  62 GLY HA2  . . 5.240 4.864 4.762 4.902     .  0  0 "[    .    1    .    2]" 1 
        857 1  61 CYS H    1  62 GLY HA3  . . 4.850 5.116 5.011 5.167 0.317 18  0 "[    .    1    .    2]" 1 
        858 1  61 CYS HA   1  63 VAL H    . . 4.850 4.182 3.940 4.858 0.008 19  0 "[    .    1    .    2]" 1 
        859 1  61 CYS HB2  1  62 GLY H    . . 4.850 3.257 2.650 4.028     .  0  0 "[    .    1    .    2]" 1 
        860 1  61 CYS HB2  1  63 VAL MG2  . . 4.240 2.668 1.976 3.574     .  0  0 "[    .    1    .    2]" 1 
        861 1  61 CYS HB3  1  62 GLY H    . . 5.240 3.568 2.834 4.257     .  0  0 "[    .    1    .    2]" 1 
        862 1  61 CYS HB3  1  63 VAL H    . . 4.540 3.269 2.047 4.911 0.371 19  0 "[    .    1    .    2]" 1 
        863 1  61 CYS HB3  1  63 VAL MG1  . . 3.680 3.081 2.020 4.671 0.991 13  1 "[    .    1  + .    2]" 1 
        864 1  61 CYS HB3  1  63 VAL MG2  . . 3.970 2.526 1.963 3.722     .  0  0 "[    .    1    .    2]" 1 
        865 1  61 CYS HG   1  62 GLY H    . . 4.850 4.276 1.951 4.906 0.056  6  0 "[    .    1    .    2]" 1 
        866 1  61 CYS HG   1  63 VAL H    . . 5.090 4.252 1.943 5.157 0.067  7  0 "[    .    1    .    2]" 1 
        867 1  62 GLY H    1  63 VAL MG2  . . 4.960 3.860 3.387 4.163     .  0  0 "[    .    1    .    2]" 1 
        868 1  62 GLY H    1  64 LEU H    . . 4.960 3.529 3.190 4.378     .  0  0 "[    .    1    .    2]" 1 
        869 1  63 VAL H    1  63 VAL HB   . . 4.050 3.583 3.509 3.738     .  0  0 "[    .    1    .    2]" 1 
        870 1  63 VAL H    1  63 VAL MG1  . . 3.530 2.301 1.919 2.858     .  0  0 "[    .    1    .    2]" 1 
        871 1  63 VAL H    1  63 VAL MG2  . . 3.090 2.105 1.957 2.442     .  0  0 "[    .    1    .    2]" 1 
        872 1  63 VAL H    1  64 LEU H    . . 3.160 2.462 1.860 2.929     .  0  0 "[    .    1    .    2]" 1 
        873 1  63 VAL H    1  64 LEU HG   . . 4.370 4.004 3.337 4.627 0.257 19  0 "[    .    1    .    2]" 1 
        874 1  63 VAL HA   1  63 VAL MG1  . . 3.060 2.344 2.220 2.469     .  0  0 "[    .    1    .    2]" 1 
        875 1  63 VAL HA   1  63 VAL MG2  . . 3.600 3.212 3.205 3.219     .  0  0 "[    .    1    .    2]" 1 
        876 1  63 VAL HB   1  64 LEU H    . . 4.850 4.131 3.744 4.389     .  0  0 "[    .    1    .    2]" 1 
        877 1  63 VAL MG1  1  64 LEU H    . . 4.240 4.026 3.877 4.229     .  0  0 "[    .    1    .    2]" 1 
        878 1  63 VAL MG2  1  64 LEU H    . . 3.900 2.395 2.021 2.886     .  0  0 "[    .    1    .    2]" 1 
        879 1  63 VAL MG2  1  64 LEU HA   . . 4.240 3.512 3.234 3.919     .  0  0 "[    .    1    .    2]" 1 
        880 1  63 VAL MG2  1  64 LEU HG   . . 3.780 2.194 1.950 3.779     .  0  0 "[    .    1    .    2]" 1 
        881 1  64 LEU H    1  64 LEU HB2  . . 3.510 2.540 2.386 2.828     .  0  0 "[    .    1    .    2]" 1 
        882 1  64 LEU H    1  64 LEU HB3  . . 4.040 3.611 3.556 3.758     .  0  0 "[    .    1    .    2]" 1 
        883 1  64 LEU H    1  64 LEU QD   . . 3.610 3.040 1.759 3.300     .  0  0 "[    .    1    .    2]" 1 
        884 1  64 LEU H    1  64 LEU HG   . . 3.460 2.469 2.089 3.742 0.282 19  0 "[    .    1    .    2]" 1 
        885 1  64 LEU H    1  65 GLN H    . . 5.240 4.366 4.207 4.550     .  0  0 "[    .    1    .    2]" 1 
        886 1  64 LEU HA   1  64 LEU QD   . . 3.120 2.317 1.979 2.801     .  0  0 "[    .    1    .    2]" 1 
        887 1  64 LEU HA   1  65 GLN HA   . . 4.370 4.352 4.326 4.397 0.027 15  0 "[    .    1    .    2]" 1 
        888 1  64 LEU HB2  1  64 LEU QD   . . 3.180 2.085 1.941 2.223     .  0  0 "[    .    1    .    2]" 1 
        889 1  64 LEU HB2  1  65 GLN H    . . 4.760 4.330 3.756 4.540     .  0  0 "[    .    1    .    2]" 1 
        890 1  64 LEU HB3  1  64 LEU QD   . . 3.160 2.098 1.921 2.475     .  0  0 "[    .    1    .    2]" 1 
        891 1  64 LEU HB3  1  65 GLN H    . . 4.370 3.638 2.651 3.954     .  0  0 "[    .    1    .    2]" 1 
        892 1  64 LEU QD   1  65 GLN H    . . 4.240 3.874 3.560 4.026     .  0  0 "[    .    1    .    2]" 1 
        893 1  64 LEU QD   1 103 ILE MD   . . 3.090 2.672 2.308 3.100 0.010 19  0 "[    .    1    .    2]" 1 
        894 1  64 LEU QD   1 103 ILE HG12 . . 3.900 3.430 3.172 3.757     .  0  0 "[    .    1    .    2]" 1 
        895 1  64 LEU QD   1 103 ILE HG13 . . 3.500 2.534 2.109 2.899     .  0  0 "[    .    1    .    2]" 1 
        896 1  65 GLN H    1  65 GLN HB2  . . 3.680 2.611 2.320 3.660     .  0  0 "[    .    1    .    2]" 1 
        897 1  65 GLN H    1  65 GLN HB3  . . 3.780 3.146 2.473 3.692     .  0  0 "[    .    1    .    2]" 1 
        898 1  65 GLN HA   1  65 GLN QG   . . 3.900 2.368 2.096 3.339     .  0  0 "[    .    1    .    2]" 1 
        899 1  65 GLN HA   1  66 ILE H    . . 3.210 2.374 2.294 2.475     .  0  0 "[    .    1    .    2]" 1 
        900 1  65 GLN HA   1  66 ILE HB   . . 4.760 4.703 4.649 4.776 0.016 13  0 "[    .    1    .    2]" 1 
        901 1  65 GLN HB2  1  66 ILE H    . . 3.940 3.957 2.556 4.106 0.166 14  0 "[    .    1    .    2]" 1 
        902 1  65 GLN HB3  1  66 ILE H    . . 4.040 3.276 2.574 3.971     .  0  0 "[    .    1    .    2]" 1 
        903 1  65 GLN QG   1  66 ILE H    . . 4.140 3.097 1.905 4.139     .  0  0 "[    .    1    .    2]" 1 
        904 1  66 ILE H    1  66 ILE HB   . . 3.230 2.343 2.276 2.413     .  0  0 "[    .    1    .    2]" 1 
        905 1  66 ILE H    1  66 ILE MD   . . 3.840 3.672 3.346 3.846 0.006  6  0 "[    .    1    .    2]" 1 
        906 1  66 ILE H    1  66 ILE HG12 . . 3.440 2.216 2.008 2.434     .  0  0 "[    .    1    .    2]" 1 
        907 1  66 ILE H    1  66 ILE HG13 . . 3.560 3.318 3.178 3.532     .  0  0 "[    .    1    .    2]" 1 
        908 1  66 ILE H    1  66 ILE MG   . . 3.780 3.691 3.671 3.704     .  0  0 "[    .    1    .    2]" 1 
        909 1  66 ILE H    1  67 GLY H    . . 5.090 4.475 4.339 4.564     .  0  0 "[    .    1    .    2]" 1 
        910 1  66 ILE HA   1  66 ILE MD   . . 3.680 2.269 2.081 2.376     .  0  0 "[    .    1    .    2]" 1 
        911 1  66 ILE HA   1  66 ILE HG12 . . 3.970 2.708 2.603 2.919     .  0  0 "[    .    1    .    2]" 1 
        912 1  66 ILE HA   1  66 ILE HG13 . . 3.970 3.713 3.685 3.739     .  0  0 "[    .    1    .    2]" 1 
        913 1  66 ILE HA   1  66 ILE MG   . . 3.160 2.435 2.359 2.520     .  0  0 "[    .    1    .    2]" 1 
        914 1  66 ILE HA   1  67 GLY H    . . 3.040 2.183 2.176 2.209     .  0  0 "[    .    1    .    2]" 1 
        915 1  66 ILE HA   1  67 GLY HA3  . . 4.540 4.401 4.384 4.423     .  0  0 "[    .    1    .    2]" 1 
        916 1  66 ILE HA   1  68 ASP H    . . 4.370 3.727 3.533 4.118     .  0  0 "[    .    1    .    2]" 1 
        917 1  66 ILE HB   1  66 ILE MD   . . 3.260 3.173 3.154 3.198     .  0  0 "[    .    1    .    2]" 1 
        918 1  66 ILE HB   1  67 GLY H    . . 4.670 4.466 4.335 4.585     .  0  0 "[    .    1    .    2]" 1 
        919 1  66 ILE MD   1  67 GLY H    . . 4.370 3.666 3.472 3.769     .  0  0 "[    .    1    .    2]" 1 
        920 1  66 ILE HG12 1  67 GLY H    . . 4.960 4.870 4.775 5.039 0.079 18  0 "[    .    1    .    2]" 1 
        921 1  66 ILE MG   1  67 GLY H    . . 3.830 2.843 2.581 3.159     .  0  0 "[    .    1    .    2]" 1 
        922 1  66 ILE MG   1  67 GLY HA2  . . 3.780 3.805 3.727 3.889 0.109 19  0 "[    .    1    .    2]" 1 
        923 1  66 ILE MG   1  67 GLY HA3  . . 3.710 3.541 3.238 3.689     .  0  0 "[    .    1    .    2]" 1 
        924 1  67 GLY H    1  68 ASP H    . . 3.980 2.250 1.958 2.619     .  0  0 "[    .    1    .    2]" 1 
        925 1  68 ASP HA   1  69 ARG H    . . 3.350 2.776 2.644 2.951     .  0  0 "[    .    1    .    2]" 1 
        926 1  68 ASP HA   1 103 ILE MD   . . 4.370 4.231 3.873 4.408 0.038 19  0 "[    .    1    .    2]" 1 
        927 1  68 ASP HA   1 103 ILE MG   . . 4.370 4.028 3.443 4.382 0.012 16  0 "[    .    1    .    2]" 1 
        928 1  68 ASP QB   1  69 ARG H    . . 4.130 2.101 1.923 2.660     .  0  0 "[    .    1    .    2]" 1 
        929 1  68 ASP QB   1  70 VAL HB   . . 4.760 3.969 3.400 4.513     .  0  0 "[    .    1    .    2]" 1 
        930 1  68 ASP QB   1 103 ILE MD   . . 4.240 2.034 1.823 2.335     .  0  0 "[    .    1    .    2]" 1 
        931 1  68 ASP QB   1 103 ILE MG   . . 3.530 2.773 2.477 3.216     .  0  0 "[    .    1    .    2]" 1 
        932 1  69 ARG H    1  69 ARG QB   . . 3.890 3.020 2.385 3.247     .  0  0 "[    .    1    .    2]" 1 
        933 1  69 ARG H    1  69 ARG QD   . . 4.370 2.069 1.837 2.590     .  0  0 "[    .    1    .    2]" 1 
        934 1  69 ARG H    1  69 ARG HE   . . 4.960 4.731 3.768 5.000 0.040 10  0 "[    .    1    .    2]" 1 
        935 1  69 ARG H    1  69 ARG HG2  . . 4.370 2.620 1.939 4.529 0.159 10  0 "[    .    1    .    2]" 1 
        936 1  69 ARG H    1  69 ARG HG3  . . 4.280 3.610 3.348 4.132     .  0  0 "[    .    1    .    2]" 1 
        937 1  69 ARG H    1  69 ARG QH2  . . 4.850 5.434 4.086 5.739 0.889  9 15 "[** *- **+1***** ***2]" 1 
        938 1  69 ARG H    1  70 VAL H    . . 4.960 3.501 2.913 4.009     .  0  0 "[    .    1    .    2]" 1 
        939 1  69 ARG H    1  70 VAL HB   . . 4.990 4.880 4.610 5.023 0.033 16  0 "[    .    1    .    2]" 1 
        940 1  69 ARG H    1 103 ILE MG   . . 4.240 2.354 1.714 2.725     .  0  0 "[    .    1    .    2]" 1 
        941 1  69 ARG H    1 104 GLU H    . . 4.370 3.698 3.370 3.977     .  0  0 "[    .    1    .    2]" 1 
        942 1  69 ARG HA   1  69 ARG QD   . . 4.370 3.293 2.853 3.401     .  0  0 "[    .    1    .    2]" 1 
        943 1  69 ARG HA   1  69 ARG HG2  . . 4.240 3.670 3.551 3.794     .  0  0 "[    .    1    .    2]" 1 
        944 1  69 ARG QB   1  69 ARG HE   . . 4.240 3.666 2.202 3.846     .  0  0 "[    .    1    .    2]" 1 
        945 1  69 ARG QB   1  70 VAL H    . . 4.760 3.890 3.691 4.046     .  0  0 "[    .    1    .    2]" 1 
        946 1  69 ARG QD   1  69 ARG QH2  . . 3.640 3.697 3.659 3.712 0.072  4  0 "[    .    1    .    2]" 1 
        947 1  69 ARG QD   1 103 ILE MG   . . 3.900 3.202 1.911 3.717     .  0  0 "[    .    1    .    2]" 1 
        948 1  69 ARG HE   1  69 ARG HG2  . . 4.240 3.383 2.113 3.785     .  0  0 "[    .    1    .    2]" 1 
        949 1  69 ARG HE   1  69 ARG HG3  . . 4.040 2.941 2.791 3.713     .  0  0 "[    .    1    .    2]" 1 
        950 1  69 ARG HG2  1 103 ILE MG   . . 3.970 2.866 2.261 4.028 0.058 14  0 "[    .    1    .    2]" 1 
        951 1  69 ARG HG3  1 103 ILE MG   . . 4.050 3.952 3.586 4.238 0.188 10  0 "[    .    1    .    2]" 1 
        952 1  69 ARG QH2  1 103 ILE MD   . . 3.900 6.242 4.464 6.440 2.540 20 20  [**-****************+]  1 
        953 1  70 VAL H    1  70 VAL HB   . . 3.680 2.439 2.138 2.777     .  0  0 "[    .    1    .    2]" 1 
        954 1  70 VAL H    1  70 VAL QG   . . 3.870 2.106 1.896 2.544     .  0  0 "[    .    1    .    2]" 1 
        955 1  70 VAL HA   1  70 VAL QG   . . 3.130 2.191 2.015 2.346     .  0  0 "[    .    1    .    2]" 1 
        956 1  70 VAL HA   1  71 MET H    . . 3.320 2.209 2.182 2.305     .  0  0 "[    .    1    .    2]" 1 
        957 1  70 VAL HA   1  72 ALA H    . . 4.240 3.481 3.349 3.624     .  0  0 "[    .    1    .    2]" 1 
        958 1  70 VAL HA   1 103 ILE HA   . . 3.900 2.500 2.145 2.842     .  0  0 "[    .    1    .    2]" 1 
        959 1  70 VAL HA   1 103 ILE MD   . . 3.600 2.037 1.776 2.498     .  0  0 "[    .    1    .    2]" 1 
        960 1  70 VAL HA   1 103 ILE MG   . . 3.900 3.739 3.425 3.909 0.009  2  0 "[    .    1    .    2]" 1 
        961 1  70 VAL HA   1 104 GLU H    . . 4.960 4.483 3.997 4.968 0.008 17  0 "[    .    1    .    2]" 1 
        962 1  70 VAL HB   1  71 MET H    . . 4.850 4.495 4.326 4.642     .  0  0 "[    .    1    .    2]" 1 
        963 1  70 VAL HB   1 103 ILE MD   . . 3.780 2.530 1.920 3.805 0.025 19  0 "[    .    1    .    2]" 1 
        964 1  70 VAL QG   1  71 MET H    . . 3.780 2.935 2.580 3.381     .  0  0 "[    .    1    .    2]" 1 
        965 1  70 VAL QG   1  72 ALA H    . . 3.640 2.349 1.953 2.860     .  0  0 "[    .    1    .    2]" 1 
        966 1  70 VAL QG   1  73 ILE HA   . . 4.370 3.300 2.850 3.674     .  0  0 "[    .    1    .    2]" 1 
        967 1  70 VAL QG   1  73 ILE HB   . . 4.370 4.039 3.842 4.275     .  0  0 "[    .    1    .    2]" 1 
        968 1  70 VAL QG   1  73 ILE HG12 . . 3.300 2.228 1.842 2.877     .  0  0 "[    .    1    .    2]" 1 
        969 1  70 VAL QG   1  73 ILE HG13 . . 3.440 2.154 1.934 2.399     .  0  0 "[    .    1    .    2]" 1 
        970 1  70 VAL QG   1  78 THR MG   . . 3.300 2.421 1.765 2.897     .  0  0 "[    .    1    .    2]" 1 
        971 1  70 VAL QG   1 101 LEU HA   . . 4.140 3.026 2.674 3.593     .  0  0 "[    .    1    .    2]" 1 
        972 1  70 VAL QG   1 102 GLU H    . . 4.140 2.663 2.285 3.324     .  0  0 "[    .    1    .    2]" 1 
        973 1  70 VAL QG   1 102 GLU QB   . . 4.240 3.456 3.073 4.066     .  0  0 "[    .    1    .    2]" 1 
        974 1  71 MET H    1  71 MET ME   . . 4.540 4.270 3.678 4.546 0.006 15  0 "[    .    1    .    2]" 1 
        975 1  71 MET H    1  71 MET QG   . . 3.900 1.969 1.922 2.061     .  0  0 "[    .    1    .    2]" 1 
        976 1  71 MET H    1  72 ALA H    . . 3.530 2.409 2.222 2.611     .  0  0 "[    .    1    .    2]" 1 
        977 1  71 MET H    1  72 ALA HA   . . 5.090 5.004 4.837 5.153 0.063 17  0 "[    .    1    .    2]" 1 
        978 1  71 MET H    1 103 ILE HA   . . 3.840 2.843 2.260 3.184     .  0  0 "[    .    1    .    2]" 1 
        979 1  71 MET H    1 103 ILE MG   . . 5.090 4.558 3.793 5.053     .  0  0 "[    .    1    .    2]" 1 
        980 1  71 MET H    1 104 GLU H    . . 4.760 4.513 3.993 4.783 0.023 18  0 "[    .    1    .    2]" 1 
        981 1  71 MET HA   1  71 MET ME   . . 3.730 2.938 1.979 3.382     .  0  0 "[    .    1    .    2]" 1 
        982 1  71 MET HA   1  72 ALA HA   . . 4.610 4.540 4.496 4.583     .  0  0 "[    .    1    .    2]" 1 
        983 1  71 MET HB2  1  71 MET ME   . . 3.730 3.434 3.155 3.771 0.041 16  0 "[    .    1    .    2]" 1 
        984 1  71 MET HB2  1  72 ALA H    . . 4.320 3.050 2.781 3.424     .  0  0 "[    .    1    .    2]" 1 
        985 1  71 MET HB2  1  72 ALA MB   . . 4.140 3.321 3.108 3.409     .  0  0 "[    .    1    .    2]" 1 
        986 1  71 MET HB2  1 102 GLU HG2  . . 4.540 2.570 2.120 3.077     .  0  0 "[    .    1    .    2]" 1 
        987 1  71 MET HB2  1 102 GLU HG3  . . 4.540 4.080 2.873 4.502     .  0  0 "[    .    1    .    2]" 1 
        988 1  71 MET HB3  1  71 MET ME   . . 3.260 2.205 1.943 2.777     .  0  0 "[    .    1    .    2]" 1 
        989 1  71 MET ME   1  71 MET QG   . . 3.370 2.294 2.066 2.388     .  0  0 "[    .    1    .    2]" 1 
        990 1  71 MET QG   1  72 ALA H    . . 4.130 3.882 3.700 3.991     .  0  0 "[    .    1    .    2]" 1 
        991 1  71 MET QG   1 104 GLU HB2  . . 4.140 2.394 1.969 3.166     .  0  0 "[    .    1    .    2]" 1 
        992 1  71 MET QG   1 104 GLU HB3  . . 4.050 2.581 1.923 3.194     .  0  0 "[    .    1    .    2]" 1 
        993 1  72 ALA H    1  72 ALA MB   . . 3.570 2.739 2.581 2.878     .  0  0 "[    .    1    .    2]" 1 
        994 1  72 ALA H    1  73 ILE H    . . 5.090 4.333 4.247 4.394     .  0  0 "[    .    1    .    2]" 1 
        995 1  72 ALA H    1  78 THR MG   . . 4.540 3.531 2.870 4.267     .  0  0 "[    .    1    .    2]" 1 
        996 1  72 ALA H    1 102 GLU H    . . 3.940 2.986 2.518 3.230     .  0  0 "[    .    1    .    2]" 1 
        997 1  72 ALA H    1 102 GLU QB   . . 3.890 2.185 1.930 2.509     .  0  0 "[    .    1    .    2]" 1 
        998 1  72 ALA HA   1  73 ILE H    . . 3.260 2.465 2.292 2.786     .  0  0 "[    .    1    .    2]" 1 
        999 1  72 ALA HA   1  76 ILE H    . . 4.960 4.930 4.763 4.996 0.036  5  0 "[    .    1    .    2]" 1 
       1000 1  72 ALA HA   1  78 THR HA   . . 4.760 4.432 4.185 4.761 0.001  5  0 "[    .    1    .    2]" 1 
       1001 1  72 ALA HA   1  78 THR HB   . . 4.240 4.183 3.288 4.363 0.123  6  0 "[    .    1    .    2]" 1 
       1002 1  72 ALA HA   1  78 THR MG   . . 3.390 2.059 1.753 2.779     .  0  0 "[    .    1    .    2]" 1 
       1003 1  72 ALA MB   1  73 ILE H    . . 3.300 2.504 1.916 2.870     .  0  0 "[    .    1    .    2]" 1 
       1004 1  72 ALA MB   1  75 GLY H    . . 3.900 2.693 2.035 2.951     .  0  0 "[    .    1    .    2]" 1 
       1005 1  72 ALA MB   1  75 GLY HA2  . . 4.240 3.036 2.898 3.186     .  0  0 "[    .    1    .    2]" 1 
       1006 1  72 ALA MB   1  75 GLY HA3  . . 4.140 4.198 3.952 4.310 0.170 17  0 "[    .    1    .    2]" 1 
       1007 1  72 ALA MB   1  76 ILE H    . . 4.040 3.477 3.090 3.682     .  0  0 "[    .    1    .    2]" 1 
       1008 1  72 ALA MB   1 102 GLU H    . . 3.680 3.515 2.780 3.703 0.023  7  0 "[    .    1    .    2]" 1 
       1009 1  72 ALA MB   1 102 GLU QB   . . 2.920 2.044 1.879 2.229     .  0  0 "[    .    1    .    2]" 1 
       1010 1  73 ILE H    1  73 ILE HB   . . 3.780 2.623 2.368 2.927     .  0  0 "[    .    1    .    2]" 1 
       1011 1  73 ILE H    1  73 ILE MD   . . 4.600 4.236 3.965 4.561     .  0  0 "[    .    1    .    2]" 1 
       1012 1  73 ILE H    1  73 ILE HG13 . . 4.370 3.193 2.827 3.469     .  0  0 "[    .    1    .    2]" 1 
       1013 1  73 ILE H    1  73 ILE MG   . . 4.140 3.767 3.560 3.904     .  0  0 "[    .    1    .    2]" 1 
       1014 1  73 ILE H    1  74 ASN H    . . 4.370 3.530 1.900 4.143     .  0  0 "[    .    1    .    2]" 1 
       1015 1  73 ILE H    1  76 ILE H    . . 4.100 3.035 2.317 3.987     .  0  0 "[    .    1    .    2]" 1 
       1016 1  73 ILE H    1  76 ILE HB   . . 4.240 3.089 2.597 4.153     .  0  0 "[    .    1    .    2]" 1 
       1017 1  73 ILE H    1  78 THR MG   . . 3.900 2.641 2.179 3.813     .  0  0 "[    .    1    .    2]" 1 
       1018 1  73 ILE H    1  89 LEU QD   . . 4.670 3.593 3.238 3.888     .  0  0 "[    .    1    .    2]" 1 
       1019 1  73 ILE H    1 102 GLU H    . . 4.670 4.690 4.662 4.740 0.070 14  0 "[    .    1    .    2]" 1 
       1020 1  73 ILE HA   1  73 ILE MD   . . 4.240 3.763 3.705 3.832     .  0  0 "[    .    1    .    2]" 1 
       1021 1  73 ILE HA   1  73 ILE HG13 . . 4.240 2.934 2.508 3.192     .  0  0 "[    .    1    .    2]" 1 
       1022 1  73 ILE HA   1  73 ILE MG   . . 3.280 2.510 2.419 2.658     .  0  0 "[    .    1    .    2]" 1 
       1023 1  73 ILE HA   1  74 ASN H    . . 3.470 2.431 2.181 3.333     .  0  0 "[    .    1    .    2]" 1 
       1024 1  73 ILE HA   1 101 LEU HA   . . 3.970 2.533 2.262 2.790     .  0  0 "[    .    1    .    2]" 1 
       1025 1  73 ILE HA   1 101 LEU QD   . . 3.640 2.727 1.915 3.376     .  0  0 "[    .    1    .    2]" 1 
       1026 1  73 ILE HA   1 102 GLU H    . . 4.530 3.159 2.935 3.680     .  0  0 "[    .    1    .    2]" 1 
       1027 1  73 ILE HB   1  73 ILE MD   . . 3.390 2.338 2.155 2.429     .  0  0 "[    .    1    .    2]" 1 
       1028 1  73 ILE HB   1  78 THR MG   . . 4.370 2.798 2.293 4.379 0.009  5  0 "[    .    1    .    2]" 1 
       1029 1  73 ILE HB   1  86 ALA HA   . . 4.760 4.038 3.767 4.319     .  0  0 "[    .    1    .    2]" 1 
       1030 1  73 ILE HB   1  86 ALA MB   . . 4.240 4.184 4.010 4.265 0.025 19  0 "[    .    1    .    2]" 1 
       1031 1  73 ILE HB   1  89 LEU HB2  . . 4.540 3.824 3.451 4.038     .  0  0 "[    .    1    .    2]" 1 
       1032 1  73 ILE HB   1  89 LEU HB3  . . 4.050 3.771 3.525 3.982     .  0  0 "[    .    1    .    2]" 1 
       1033 1  73 ILE HB   1  89 LEU QD   . . 3.640 1.991 1.782 2.362     .  0  0 "[    .    1    .    2]" 1 
       1034 1  73 ILE MD   1  73 ILE MG   . . 2.660 1.997 1.885 2.146     .  0  0 "[    .    1    .    2]" 1 
       1035 1  73 ILE MD   1  78 THR MG   . . 3.160 2.319 1.938 3.154     .  0  0 "[    .    1    .    2]" 1 
       1036 1  73 ILE MD   1  86 ALA HA   . . 3.730 2.600 2.188 2.962     .  0  0 "[    .    1    .    2]" 1 
       1037 1  73 ILE MD   1  89 LEU HB2  . . 3.970 2.979 2.760 3.136     .  0  0 "[    .    1    .    2]" 1 
       1038 1  73 ILE MD   1  89 LEU HB3  . . 3.780 3.904 3.682 3.982 0.202 11  0 "[    .    1    .    2]" 1 
       1039 1  73 ILE MD   1  89 LEU QD   . . 3.730 2.465 2.215 2.831     .  0  0 "[    .    1    .    2]" 1 
       1040 1  73 ILE MD   1  89 LEU HG   . . 3.900 3.741 3.365 3.920 0.020 19  0 "[    .    1    .    2]" 1 
       1041 1  73 ILE MD   1  90 LEU HG   . . 4.050 3.739 3.292 4.071 0.021  2  0 "[    .    1    .    2]" 1 
       1042 1  73 ILE HG12 1  78 THR MG   . . 3.900 3.398 3.153 3.866     .  0  0 "[    .    1    .    2]" 1 
       1043 1  73 ILE HG13 1  73 ILE MG   . . 3.530 3.227 3.218 3.238     .  0  0 "[    .    1    .    2]" 1 
       1044 1  73 ILE HG13 1  78 THR MG   . . 3.150 1.995 1.822 2.594     .  0  0 "[    .    1    .    2]" 1 
       1045 1  73 ILE MG   1  74 ASN H    . . 3.840 3.324 2.914 3.854 0.014  6  0 "[    .    1    .    2]" 1 
       1046 1  73 ILE MG   1  74 ASN HB2  . . 4.760 3.005 2.427 4.469     .  0  0 "[    .    1    .    2]" 1 
       1047 1  73 ILE MG   1  74 ASN HB3  . . 4.240 3.921 3.190 4.360 0.120  2  0 "[    .    1    .    2]" 1 
       1048 1  73 ILE MG   1  74 ASN HD21 . . 4.140 3.064 2.449 3.420     .  0  0 "[    .    1    .    2]" 1 
       1049 1  73 ILE MG   1  74 ASN HD22 . . 4.540 4.093 2.560 4.554 0.014  8  0 "[    .    1    .    2]" 1 
       1050 1  73 ILE MG   1  86 ALA HA   . . 4.540 3.643 3.311 3.962     .  0  0 "[    .    1    .    2]" 1 
       1051 1  73 ILE MG   1  86 ALA MB   . . 4.370 3.933 3.671 4.119     .  0  0 "[    .    1    .    2]" 1 
       1052 1  73 ILE MG   1  89 LEU HA   . . 4.370 4.170 3.999 4.310     .  0  0 "[    .    1    .    2]" 1 
       1053 1  73 ILE MG   1  89 LEU HB2  . . 3.730 2.146 1.945 2.381     .  0  0 "[    .    1    .    2]" 1 
       1054 1  73 ILE MG   1  89 LEU HB3  . . 3.390 2.069 1.965 2.197     .  0  0 "[    .    1    .    2]" 1 
       1055 1  73 ILE MG   1  89 LEU QD   . . 3.180 2.140 1.915 2.404     .  0  0 "[    .    1    .    2]" 1 
       1056 1  73 ILE MG   1  89 LEU HG   . . 4.140 3.635 3.370 3.898     .  0  0 "[    .    1    .    2]" 1 
       1057 1  73 ILE MG   1  90 LEU HA   . . 4.370 4.154 3.654 4.398 0.028 13  0 "[    .    1    .    2]" 1 
       1058 1  73 ILE MG   1 101 LEU HA   . . 4.540 3.835 3.351 4.467     .  0  0 "[    .    1    .    2]" 1 
       1059 1  74 ASN H    1  75 GLY H    . . 4.070 2.394 1.900 2.626     .  0  0 "[    .    1    .    2]" 1 
       1060 1  74 ASN H    1 100 THR H    . . 4.530 3.888 3.307 4.555 0.025 16  0 "[    .    1    .    2]" 1 
       1061 1  74 ASN H    1 100 THR HB   . . 3.900 3.383 2.970 3.934 0.034 20  0 "[    .    1    .    2]" 1 
       1062 1  74 ASN H    1 101 LEU HA   . . 5.440 3.552 2.869 4.797     .  0  0 "[    .    1    .    2]" 1 
       1063 1  74 ASN H    1 101 LEU QD   . . 4.760 4.082 3.448 4.594     .  0  0 "[    .    1    .    2]" 1 
       1064 1  74 ASN HA   1  75 GLY H    . . 3.650 3.104 2.825 3.282     .  0  0 "[    .    1    .    2]" 1 
       1065 1  74 ASN HA   1 100 THR H    . . 4.370 3.080 2.248 3.962     .  0  0 "[    .    1    .    2]" 1 
       1066 1  74 ASN HA   1 100 THR HB   . . 3.300 2.022 1.974 2.115     .  0  0 "[    .    1    .    2]" 1 
       1067 1  74 ASN HA   1 100 THR MG   . . 3.730 2.990 2.024 3.771 0.041  6  0 "[    .    1    .    2]" 1 
       1068 1  74 ASN HB2  1  89 LEU QD   . . 5.230 3.711 3.073 4.466     .  0  0 "[    .    1    .    2]" 1 
       1069 1  74 ASN HB3  1  89 LEU QD   . . 4.370 4.174 3.780 4.880 0.510  2  1 "[ +  .    1    .    2]" 1 
       1070 1  74 ASN HD21 1  89 LEU QD   . . 5.240 4.132 2.783 4.850     .  0  0 "[    .    1    .    2]" 1 
       1071 1  74 ASN HD21 1  99 VAL QG   . . 4.760 2.842 2.089 4.126     .  0  0 "[    .    1    .    2]" 1 
       1072 1  74 ASN HD22 1  99 VAL QG   . . 4.370 3.343 2.058 4.670 0.300 16  0 "[    .    1    .    2]" 1 
       1073 1  75 GLY H    1  76 ILE H    . . 3.870 2.578 2.210 3.175     .  0  0 "[    .    1    .    2]" 1 
       1074 1  75 GLY H    1 100 THR HB   . . 4.960 4.512 3.106 4.967 0.007  7  0 "[    .    1    .    2]" 1 
       1075 1  76 ILE H    1  76 ILE HB   . . 3.300 2.272 2.075 2.407     .  0  0 "[    .    1    .    2]" 1 
       1076 1  76 ILE H    1  76 ILE MD   . . 3.850 3.548 1.814 3.899 0.049  6  0 "[    .    1    .    2]" 1 
       1077 1  76 ILE H    1  76 ILE HG12 . . 3.570 2.747 2.057 3.863 0.293  6  0 "[    .    1    .    2]" 1 
       1078 1  76 ILE H    1  76 ILE HG13 . . 3.780 3.292 2.317 3.832 0.052  5  0 "[    .    1    .    2]" 1 
       1079 1  76 ILE H    1  76 ILE MG   . . 3.900 3.658 3.512 3.729     .  0  0 "[    .    1    .    2]" 1 
       1080 1  76 ILE HA   1  76 ILE MD   . . 3.570 2.491 1.978 3.681 0.111  6  0 "[    .    1    .    2]" 1 
       1081 1  76 ILE HA   1  76 ILE HG12 . . 3.780 2.731 2.239 3.636     .  0  0 "[    .    1    .    2]" 1 
       1082 1  76 ILE HA   1  76 ILE HG13 . . 3.640 3.430 2.381 3.770 0.130 14  0 "[    .    1    .    2]" 1 
       1083 1  76 ILE HA   1  76 ILE MG   . . 3.210 2.530 2.394 2.704     .  0  0 "[    .    1    .    2]" 1 
       1084 1  76 ILE HA   1  77 PRO HD2  . . 3.060 2.436 2.322 2.530     .  0  0 "[    .    1    .    2]" 1 
       1085 1  76 ILE HA   1  77 PRO HD3  . . 3.150 1.915 1.909 1.929     .  0  0 "[    .    1    .    2]" 1 
       1086 1  76 ILE HA   1  77 PRO HG3  . . 4.370 4.182 4.176 4.194     .  0  0 "[    .    1    .    2]" 1 
       1087 1  76 ILE HB   1  76 ILE MD   . . 3.260 2.950 2.253 3.206     .  0  0 "[    .    1    .    2]" 1 
       1088 1  76 ILE MD   1  77 PRO HD2  . . 4.540 3.034 2.016 4.550 0.010  8  0 "[    .    1    .    2]" 1 
       1089 1  76 ILE MD   1  77 PRO HD3  . . 4.540 3.412 2.596 4.610 0.070  6  0 "[    .    1    .    2]" 1 
       1090 1  76 ILE HG13 1  76 ILE MG   . . 3.320 2.658 2.317 3.221     .  0  0 "[    .    1    .    2]" 1 
       1091 1  76 ILE HG13 1  77 PRO HD2  . . 4.760 4.726 3.497 5.105 0.345 14  0 "[    .    1    .    2]" 1 
       1092 1  76 ILE MG   1  77 PRO HD2  . . 3.640 1.951 1.810 2.310     .  0  0 "[    .    1    .    2]" 1 
       1093 1  76 ILE MG   1  77 PRO HD3  . . 3.350 3.106 2.918 3.397 0.047  5  0 "[    .    1    .    2]" 1 
       1094 1  76 ILE MG   1  77 PRO HG2  . . 4.370 3.698 3.491 4.008     .  0  0 "[    .    1    .    2]" 1 
       1095 1  76 ILE MG   1  77 PRO HG3  . . 4.710 4.398 4.172 4.708     .  0  0 "[    .    1    .    2]" 1 
       1096 1  78 THR HA   1  78 THR MG   . . 3.090 2.427 2.190 3.227 0.137  5  0 "[    .    1    .    2]" 1 
       1097 1  79 GLU H    1  80 ASP HB2  . . 4.370 3.780 3.346 4.205     .  0  0 "[    .    1    .    2]" 1 
       1098 1  79 GLU H    1  80 ASP HB3  . . 3.840 4.007 3.452 4.447 0.607 17  6 "[   *.  * 1-*  . +  *]" 1 
       1099 1  79 GLU HA   1  79 GLU QG   . . 3.730 2.349 1.982 3.336     .  0  0 "[    .    1    .    2]" 1 
       1100 1  81 SER HB2  1  82 THR MG   . . 4.240 4.044 3.452 4.481 0.241  9  0 "[    .    1    .    2]" 1 
       1101 1  81 SER HB2  1  85 GLU H    . . 4.050 4.217 3.819 4.945 0.895 19  2 "[    .    1    -   +2]" 1 
       1102 1  81 SER HB2  1  85 GLU HB2  . . 3.600 2.414 1.999 2.989     .  0  0 "[    .    1    .    2]" 1 
       1103 1  81 SER HB2  1  85 GLU HB3  . . 3.370 2.638 2.133 3.286     .  0  0 "[    .    1    .    2]" 1 
       1104 1  81 SER HB2  1  85 GLU QG   . . 3.500 3.009 2.033 3.878 0.378 12  0 "[    .    1    .    2]" 1 
       1105 1  81 SER HB3  1  82 THR HG1  . . 4.760 4.153 3.457 4.720     .  0  0 "[    .    1    .    2]" 1 
       1106 1  81 SER HB3  1  82 THR MG   . . 4.370 3.867 3.407 4.249     .  0  0 "[    .    1    .    2]" 1 
       1107 1  81 SER HB3  1  85 GLU HB2  . . 4.240 2.818 1.988 3.960     .  0  0 "[    .    1    .    2]" 1 
       1108 1  81 SER HB3  1  85 GLU HB3  . . 4.240 3.178 2.269 4.054     .  0  0 "[    .    1    .    2]" 1 
       1109 1  82 THR HA   1  82 THR MG   . . 2.750 2.625 2.427 2.758 0.008  9  0 "[    .    1    .    2]" 1 
       1110 1  82 THR HA   1  84 GLU H    . . 4.200 4.042 3.834 4.201 0.001 15  0 "[    .    1    .    2]" 1 
       1111 1  82 THR HA   1  85 GLU H    . . 4.600 4.505 4.415 4.633 0.033  9  0 "[    .    1    .    2]" 1 
       1112 1  82 THR HG1  1  82 THR MG   . . 3.440 2.148 2.004 3.012     .  0  0 "[    .    1    .    2]" 1 
       1113 1  82 THR HG1  1  85 GLU HB2  . . 4.540 2.658 2.307 4.178     .  0  0 "[    .    1    .    2]" 1 
       1114 1  82 THR HG1  1  85 GLU HB3  . . 4.540 4.184 2.472 4.595 0.055  9  0 "[    .    1    .    2]" 1 
       1115 1  82 THR HG1  1  85 GLU QG   . . 4.540 3.318 2.119 4.007     .  0  0 "[    .    1    .    2]" 1 
       1116 1  82 THR MG   1  84 GLU HB2  . . 5.100 4.202 3.899 4.440     .  0  0 "[    .    1    .    2]" 1 
       1117 1  82 THR MG   1  85 GLU H    . . 4.470 4.061 3.754 4.395     .  0  0 "[    .    1    .    2]" 1 
       1118 1  82 THR MG   1  85 GLU HB2  . . 4.370 3.865 3.582 5.162 0.792 13  1 "[    .    1  + .    2]" 1 
       1119 1  82 THR MG   1  85 GLU QG   . . 4.370 3.863 2.780 4.420 0.050 13  0 "[    .    1    .    2]" 1 
       1120 1  83 PHE H    1  83 PHE HB2  . . 4.140 2.604 2.104 2.818     .  0  0 "[    .    1    .    2]" 1 
       1121 1  83 PHE H    1  84 GLU H    . . 4.530 2.839 2.709 3.023     .  0  0 "[    .    1    .    2]" 1 
       1122 1  83 PHE HA   1  83 PHE QD   . . 3.410 3.247 2.877 3.443 0.033 13  0 "[    .    1    .    2]" 1 
       1123 1  83 PHE HA   1  86 ALA H    . . 4.370 3.802 3.216 4.183     .  0  0 "[    .    1    .    2]" 1 
       1124 1  83 PHE HA   1  86 ALA MB   . . 3.680 3.239 2.370 3.678     .  0  0 "[    .    1    .    2]" 1 
       1125 1  83 PHE HA   1  87 ASN H    . . 5.090 4.530 3.785 4.997     .  0  0 "[    .    1    .    2]" 1 
       1126 1  83 PHE HB2  1  84 GLU H    . . 4.240 4.170 3.699 4.319 0.079 13  0 "[    .    1    .    2]" 1 
       1127 1  83 PHE HB3  1  84 GLU H    . . 3.970 2.932 2.530 3.179     .  0  0 "[    .    1    .    2]" 1 
       1128 1  83 PHE QD   1  84 GLU H    . . 4.030 2.965 2.577 3.708     .  0  0 "[    .    1    .    2]" 1 
       1129 1  83 PHE QD   1  84 GLU HA   . . 4.030 2.801 2.408 3.692     .  0  0 "[    .    1    .    2]" 1 
       1130 1  83 PHE QD   1  84 GLU HG2  . . 3.770 3.200 1.990 4.542 0.772  9  1 "[    .   +1    .    2]" 1 
       1131 1  84 GLU H    1  84 GLU HB2  . . 3.420 2.210 2.053 2.447     .  0  0 "[    .    1    .    2]" 1 
       1132 1  84 GLU H    1  84 GLU HG2  . . 4.600 3.485 2.498 4.212     .  0  0 "[    .    1    .    2]" 1 
       1133 1  84 GLU H    1  84 GLU HG3  . . 4.240 3.116 2.297 3.880     .  0  0 "[    .    1    .    2]" 1 
       1134 1  84 GLU H    1  85 GLU H    . . 3.850 2.615 2.455 2.808     .  0  0 "[    .    1    .    2]" 1 
       1135 1  84 GLU HA   1  84 GLU HG2  . . 3.250 2.445 2.000 3.270 0.020  9  0 "[    .    1    .    2]" 1 
       1136 1  84 GLU HA   1  84 GLU HG3  . . 3.970 3.007 2.022 3.671     .  0  0 "[    .    1    .    2]" 1 
       1137 1  84 GLU HA   1  87 ASN H    . . 4.240 3.545 3.136 3.986     .  0  0 "[    .    1    .    2]" 1 
       1138 1  84 GLU HA   1  87 ASN HB2  . . 4.140 2.924 2.426 3.738     .  0  0 "[    .    1    .    2]" 1 
       1139 1  84 GLU HA   1  87 ASN HB3  . . 3.840 3.187 2.533 4.177 0.337 19  0 "[    .    1    .    2]" 1 
       1140 1  84 GLU HA   1  87 ASN HD21 . . 4.960 4.258 2.207 4.697     .  0  0 "[    .    1    .    2]" 1 
       1141 1  84 GLU HA   1  88 GLN H    . . 4.370 4.181 3.821 4.382 0.012 13  0 "[    .    1    .    2]" 1 
       1142 1  84 GLU HA   1  88 GLN HE21 . . 4.140 4.277 3.789 5.083 0.943 13  3 "[    .    1* + . -  2]" 1 
       1143 1  84 GLU HB2  1  85 GLU H    . . 3.690 2.885 2.394 3.640     .  0  0 "[    .    1    .    2]" 1 
       1144 1  84 GLU HB3  1  85 GLU H    . . 4.050 3.469 3.082 3.685     .  0  0 "[    .    1    .    2]" 1 
       1145 1  85 GLU H    1  85 GLU HB2  . . 3.490 2.145 2.018 3.542 0.052 13  0 "[    .    1    .    2]" 1 
       1146 1  85 GLU H    1  85 GLU HB3  . . 3.770 3.193 2.404 3.528     .  0  0 "[    .    1    .    2]" 1 
       1147 1  85 GLU H    1  85 GLU QG   . . 3.500 3.277 2.276 3.505 0.005 11  0 "[    .    1    .    2]" 1 
       1148 1  85 GLU H    1  86 ALA H    . . 3.610 3.031 2.599 3.337     .  0  0 "[    .    1    .    2]" 1 
       1149 1  85 GLU H    1  86 ALA MB   . . 4.760 4.423 4.064 4.702     .  0  0 "[    .    1    .    2]" 1 
       1150 1  85 GLU H    1  87 ASN H    . . 5.240 4.336 4.028 4.662     .  0  0 "[    .    1    .    2]" 1 
       1151 1  85 GLU HA   1  85 GLU QG   . . 3.250 2.168 1.939 3.411 0.161 13  0 "[    .    1    .    2]" 1 
       1152 1  85 GLU HA   1  88 GLN H    . . 3.900 3.328 3.080 3.621     .  0  0 "[    .    1    .    2]" 1 
       1153 1  85 GLU HA   1  88 GLN HB2  . . 3.970 2.464 2.152 2.783     .  0  0 "[    .    1    .    2]" 1 
       1154 1  85 GLU HA   1  88 GLN HB3  . . 3.780 3.511 3.172 3.977 0.197 13  0 "[    .    1    .    2]" 1 
       1155 1  85 GLU HA   1  88 GLN QG   . . 4.240 4.080 2.955 4.254 0.014 13  0 "[    .    1    .    2]" 1 
       1156 1  85 GLU HA   1  89 LEU H    . . 4.540 4.146 3.702 4.561 0.021 13  0 "[    .    1    .    2]" 1 
       1157 1  85 GLU HB2  1  86 ALA H    . . 3.870 3.017 2.403 3.984 0.114 13  0 "[    .    1    .    2]" 1 
       1158 1  85 GLU HB3  1  86 ALA H    . . 4.140 2.513 2.150 3.959     .  0  0 "[    .    1    .    2]" 1 
       1159 1  85 GLU HB3  1  86 ALA MB   . . 4.760 3.948 3.584 5.191 0.431 13  0 "[    .    1    .    2]" 1 
       1160 1  85 GLU HB3  1  89 LEU QD   . . 4.760 3.477 2.493 4.954 0.194 13  0 "[    .    1    .    2]" 1 
       1161 1  85 GLU QG   1  86 ALA H    . . 4.540 4.156 1.863 4.447     .  0  0 "[    .    1    .    2]" 1 
       1162 1  86 ALA H    1  86 ALA MB   . . 3.110 2.001 1.938 2.160     .  0  0 "[    .    1    .    2]" 1 
       1163 1  86 ALA H    1  87 ASN H    . . 3.760 2.979 2.594 3.120     .  0  0 "[    .    1    .    2]" 1 
       1164 1  86 ALA H    1  89 LEU QD   . . 4.850 4.004 3.737 4.459     .  0  0 "[    .    1    .    2]" 1 
       1165 1  86 ALA HA   1  89 LEU H    . . 4.140 3.249 2.919 3.522     .  0  0 "[    .    1    .    2]" 1 
       1166 1  86 ALA HA   1  89 LEU HB2  . . 4.240 2.864 2.485 3.088     .  0  0 "[    .    1    .    2]" 1 
       1167 1  86 ALA HA   1  89 LEU HB3  . . 4.240 4.166 4.026 4.259 0.019 16  0 "[    .    1    .    2]" 1 
       1168 1  86 ALA HA   1  89 LEU QD   . . 3.500 2.382 2.084 2.753     .  0  0 "[    .    1    .    2]" 1 
       1169 1  86 ALA HA   1  89 LEU HG   . . 4.050 2.049 1.980 2.440     .  0  0 "[    .    1    .    2]" 1 
       1170 1  86 ALA MB   1  87 ASN H    . . 3.500 2.475 2.286 2.723     .  0  0 "[    .    1    .    2]" 1 
       1171 1  86 ALA MB   1  87 ASN HA   . . 4.140 3.645 3.562 3.795     .  0  0 "[    .    1    .    2]" 1 
       1172 1  86 ALA MB   1  88 GLN H    . . 5.090 4.431 4.055 4.803     .  0  0 "[    .    1    .    2]" 1 
       1173 1  86 ALA MB   1  89 LEU QD   . . 3.640 3.316 2.940 3.558     .  0  0 "[    .    1    .    2]" 1 
       1174 1  87 ASN H    1  87 ASN HB2  . . 3.530 2.180 2.054 2.770     .  0  0 "[    .    1    .    2]" 1 
       1175 1  87 ASN H    1  87 ASN HB3  . . 3.600 2.928 2.675 3.545     .  0  0 "[    .    1    .    2]" 1 
       1176 1  87 ASN H    1  88 GLN H    . . 3.350 2.794 2.569 2.918     .  0  0 "[    .    1    .    2]" 1 
       1177 1  87 ASN HA   1  87 ASN HD21 . . 4.540 3.528 2.830 4.534     .  0  0 "[    .    1    .    2]" 1 
       1178 1  87 ASN HA   1  89 LEU H    . . 4.540 4.443 4.099 4.552 0.012 15  0 "[    .    1    .    2]" 1 
       1179 1  87 ASN HA   1  90 LEU H    . . 4.540 3.690 3.540 3.878     .  0  0 "[    .    1    .    2]" 1 
       1180 1  87 ASN HA   1  90 LEU QB   . . 3.640 3.346 3.041 3.614     .  0  0 "[    .    1    .    2]" 1 
       1181 1  87 ASN HA   1  90 LEU QD   . . 3.900 3.368 2.944 3.734     .  0  0 "[    .    1    .    2]" 1 
       1182 1  87 ASN HA   1  90 LEU HG   . . 4.140 3.571 2.968 4.034     .  0  0 "[    .    1    .    2]" 1 
       1183 1  87 ASN HB2  1  88 GLN H    . . 3.850 3.491 2.560 3.838     .  0  0 "[    .    1    .    2]" 1 
       1184 1  87 ASN HB3  1  88 GLN H    . . 3.710 2.653 2.249 3.819 0.109 19  0 "[    .    1    .    2]" 1 
       1185 1  88 GLN H    1  88 GLN HB2  . . 3.350 2.066 2.020 2.332     .  0  0 "[    .    1    .    2]" 1 
       1186 1  88 GLN H    1  88 GLN HB3  . . 3.420 3.218 2.967 3.528 0.108 16  0 "[    .    1    .    2]" 1 
       1187 1  88 GLN H    1  88 GLN QG   . . 4.120 3.750 2.381 4.048     .  0  0 "[    .    1    .    2]" 1 
       1188 1  88 GLN H    1  89 LEU H    . . 3.770 2.664 2.271 2.941     .  0  0 "[    .    1    .    2]" 1 
       1189 1  88 GLN HA   1  88 GLN QG   . . 3.440 2.366 1.994 2.885     .  0  0 "[    .    1    .    2]" 1 
       1190 1  88 GLN HA   1  91 ARG H    . . 4.530 3.232 2.859 3.594     .  0  0 "[    .    1    .    2]" 1 
       1191 1  88 GLN HA   1  91 ARG QB   . . 3.350 2.535 2.006 3.397 0.047  2  0 "[    .    1    .    2]" 1 
       1192 1  88 GLN HA   1  91 ARG QD   . . 4.370 3.813 1.994 4.371 0.001  3  0 "[    .    1    .    2]" 1 
       1193 1  88 GLN HA   1  91 ARG HG2  . . 4.140 4.143 1.973 4.543 0.403  1  0 "[    .    1    .    2]" 1 
       1194 1  88 GLN HA   1  91 ARG HG3  . . 4.540 3.023 2.594 3.736     .  0  0 "[    .    1    .    2]" 1 
       1195 1  88 GLN HB2  1  89 LEU H    . . 4.240 3.229 2.981 3.491     .  0  0 "[    .    1    .    2]" 1 
       1196 1  88 GLN HB2  1  89 LEU QD   . . 4.240 3.792 2.980 4.439 0.199 18  0 "[    .    1    .    2]" 1 
       1197 1  88 GLN HB3  1  89 LEU H    . . 4.140 3.026 2.746 3.813     .  0  0 "[    .    1    .    2]" 1 
       1198 1  88 GLN QG   1  89 LEU H    . . 4.960 4.490 4.321 4.585     .  0  0 "[    .    1    .    2]" 1 
       1199 1  88 GLN QG   1  89 LEU QD   . . 4.540 4.440 4.261 4.478     .  0  0 "[    .    1    .    2]" 1 
       1200 1  89 LEU H    1  89 LEU HB2  . . 3.570 2.561 2.357 2.696     .  0  0 "[    .    1    .    2]" 1 
       1201 1  89 LEU H    1  89 LEU HB3  . . 3.970 3.535 3.521 3.546     .  0  0 "[    .    1    .    2]" 1 
       1202 1  89 LEU H    1  89 LEU QD   . . 3.970 2.447 2.199 2.862     .  0  0 "[    .    1    .    2]" 1 
       1203 1  89 LEU H    1  89 LEU HG   . . 3.500 2.197 2.018 2.429     .  0  0 "[    .    1    .    2]" 1 
       1204 1  89 LEU H    1  90 LEU H    . . 4.100 2.877 2.665 3.100     .  0  0 "[    .    1    .    2]" 1 
       1205 1  89 LEU HA   1  89 LEU QD   . . 3.080 2.013 1.902 2.128     .  0  0 "[    .    1    .    2]" 1 
       1206 1  89 LEU HA   1  89 LEU HG   . . 3.970 3.382 3.241 3.462     .  0  0 "[    .    1    .    2]" 1 
       1207 1  89 LEU HA   1  92 ASP HB2  . . 4.240 3.256 2.694 3.931     .  0  0 "[    .    1    .    2]" 1 
       1208 1  89 LEU HA   1  92 ASP HB3  . . 4.140 3.132 2.503 3.918     .  0  0 "[    .    1    .    2]" 1 
       1209 1  89 LEU HA   1  93 SER H    . . 4.140 3.962 3.632 4.166 0.026  2  0 "[    .    1    .    2]" 1 
       1210 1  89 LEU HB2  1  90 LEU H    . . 4.240 2.716 2.307 3.328     .  0  0 "[    .    1    .    2]" 1 
       1211 1  89 LEU HB3  1  89 LEU QD   . . 3.210 2.075 1.965 2.150     .  0  0 "[    .    1    .    2]" 1 
       1212 1  89 LEU HB3  1  90 LEU H    . . 4.370 3.782 3.456 4.161     .  0  0 "[    .    1    .    2]" 1 
       1213 1  89 LEU HB3  1  90 LEU QD   . . 4.370 3.966 3.376 4.343     .  0  0 "[    .    1    .    2]" 1 
       1214 1  89 LEU QD   1  92 ASP HB2  . . 4.540 4.092 3.571 4.504     .  0  0 "[    .    1    .    2]" 1 
       1215 1  90 LEU H    1  90 LEU QB   . . 3.370 2.275 2.155 2.486     .  0  0 "[    .    1    .    2]" 1 
       1216 1  90 LEU H    1  90 LEU QD   . . 4.140 2.970 1.839 3.348     .  0  0 "[    .    1    .    2]" 1 
       1217 1  90 LEU H    1  90 LEU HG   . . 3.730 2.642 2.193 3.970 0.240 19  0 "[    .    1    .    2]" 1 
       1218 1  90 LEU H    1  91 ARG H    . . 4.010 2.773 2.475 3.124     .  0  0 "[    .    1    .    2]" 1 
       1219 1  90 LEU HA   1  90 LEU QD   . . 3.260 1.920 1.883 2.006     .  0  0 "[    .    1    .    2]" 1 
       1220 1  90 LEU HA   1  90 LEU HG   . . 4.050 3.203 3.032 3.659     .  0  0 "[    .    1    .    2]" 1 
       1221 1  90 LEU HA   1  93 SER H    . . 4.600 3.218 2.951 3.553     .  0  0 "[    .    1    .    2]" 1 
       1222 1  90 LEU HA   1  93 SER QB   . . 3.730 2.384 1.980 2.817     .  0  0 "[    .    1    .    2]" 1 
       1223 1  90 LEU QB   1  91 ARG H    . . 3.680 2.409 2.194 2.736     .  0  0 "[    .    1    .    2]" 1 
       1224 1  90 LEU QD   1  99 VAL HB   . . 4.050 3.129 2.911 3.539     .  0  0 "[    .    1    .    2]" 1 
       1225 1  90 LEU QD   1  99 VAL QG   . . 3.730 1.832 1.652 2.183     .  0  0 "[    .    1    .    2]" 1 
       1226 1  91 ARG H    1  91 ARG QB   . . 3.280 2.377 2.234 2.607     .  0  0 "[    .    1    .    2]" 1 
       1227 1  91 ARG H    1  91 ARG QD   . . 4.760 4.136 2.974 4.467     .  0  0 "[    .    1    .    2]" 1 
       1228 1  91 ARG H    1  91 ARG HG2  . . 3.770 2.857 2.432 3.720     .  0  0 "[    .    1    .    2]" 1 
       1229 1  91 ARG H    1  91 ARG HG3  . . 4.240 2.692 1.993 3.161     .  0  0 "[    .    1    .    2]" 1 
       1230 1  91 ARG H    1  92 ASP H    . . 4.160 2.871 2.611 3.179     .  0  0 "[    .    1    .    2]" 1 
       1231 1  91 ARG HA   1  91 ARG QD   . . 4.050 3.624 3.125 4.171 0.121  2  0 "[    .    1    .    2]" 1 
       1232 1  91 ARG HA   1  91 ARG HG2  . . 3.780 2.476 2.095 4.171 0.391 13  0 "[    .    1    .    2]" 1 
       1233 1  91 ARG HA   1  91 ARG HG3  . . 3.900 3.365 2.499 3.610     .  0  0 "[    .    1    .    2]" 1 
       1234 1  91 ARG HA   1  94 SER H    . . 4.760 3.725 3.388 3.983     .  0  0 "[    .    1    .    2]" 1 
       1235 1  91 ARG HA   1  94 SER QB   . . 4.240 3.085 2.581 3.760     .  0  0 "[    .    1    .    2]" 1 
       1236 1  91 ARG QB   1  91 ARG QD   . . 3.260 2.043 1.946 2.185     .  0  0 "[    .    1    .    2]" 1 
       1237 1  91 ARG QB   1  92 ASP H    . . 3.970 2.804 2.225 3.732     .  0  0 "[    .    1    .    2]" 1 
       1238 1  92 ASP H    1  92 ASP HB2  . . 4.140 2.348 2.003 2.953     .  0  0 "[    .    1    .    2]" 1 
       1239 1  92 ASP H    1  92 ASP HB3  . . 3.970 2.720 2.211 3.313     .  0  0 "[    .    1    .    2]" 1 
       1240 1  92 ASP H    1  93 SER H    . . 4.130 2.540 2.270 2.894     .  0  0 "[    .    1    .    2]" 1 
       1241 1  92 ASP HA   1  95 ILE MD   . . 4.540 2.434 1.922 2.963     .  0  0 "[    .    1    .    2]" 1 
       1242 1  92 ASP HB2  1  93 SER H    . . 4.370 3.474 2.759 3.935     .  0  0 "[    .    1    .    2]" 1 
       1243 1  92 ASP HB2  1  95 ILE MD   . . 4.540 4.084 3.590 4.478     .  0  0 "[    .    1    .    2]" 1 
       1244 1  92 ASP HB3  1  93 SER H    . . 4.240 2.479 2.047 3.142     .  0  0 "[    .    1    .    2]" 1 
       1245 1  93 SER H    1  93 SER QB   . . 3.440 2.366 2.010 2.684     .  0  0 "[    .    1    .    2]" 1 
       1246 1  93 SER H    1  94 SER H    . . 3.660 2.829 2.336 2.970     .  0  0 "[    .    1    .    2]" 1 
       1247 1  93 SER HA   1  95 ILE H    . . 4.760 3.647 3.357 4.000     .  0  0 "[    .    1    .    2]" 1 
       1248 1  93 SER QB   1  99 VAL HB   . . 3.900 2.061 1.857 2.304     .  0  0 "[    .    1    .    2]" 1 
       1249 1  93 SER QB   1  99 VAL QG   . . 4.050 2.502 2.163 3.021     .  0  0 "[    .    1    .    2]" 1 
       1250 1  94 SER H    1  94 SER QB   . . 3.300 2.184 2.026 2.576     .  0  0 "[    .    1    .    2]" 1 
       1251 1  94 SER H    1  95 ILE H    . . 3.690 2.793 2.427 2.925     .  0  0 "[    .    1    .    2]" 1 
       1252 1  94 SER HA   1  97 SER H    . . 3.830 3.199 3.122 3.285     .  0  0 "[    .    1    .    2]" 1 
       1253 1  94 SER QB   1  95 ILE H    . . 4.140 3.078 2.628 3.677     .  0  0 "[    .    1    .    2]" 1 
       1254 1  95 ILE H    1  95 ILE HB   . . 3.300 2.216 2.139 2.312     .  0  0 "[    .    1    .    2]" 1 
       1255 1  95 ILE H    1  95 ILE MD   . . 4.370 3.122 1.895 3.671     .  0  0 "[    .    1    .    2]" 1 
       1256 1  95 ILE H    1  95 ILE HG12 . . 3.640 3.853 3.764 3.905 0.265 19  0 "[    .    1    .    2]" 1 
       1257 1  95 ILE H    1  95 ILE HG13 . . 3.890 2.595 2.389 3.638     .  0  0 "[    .    1    .    2]" 1 
       1258 1  95 ILE H    1  95 ILE MG   . . 3.840 3.637 3.581 3.683     .  0  0 "[    .    1    .    2]" 1 
       1259 1  95 ILE H    1  96 THR H    . . 3.620 3.054 2.787 3.261     .  0  0 "[    .    1    .    2]" 1 
       1260 1  95 ILE H    1  97 SER H    . . 4.760 3.535 3.429 3.639     .  0  0 "[    .    1    .    2]" 1 
       1261 1  95 ILE HA   1  95 ILE MD   . . 3.840 3.689 2.573 3.791     .  0  0 "[    .    1    .    2]" 1 
       1262 1  95 ILE HA   1  95 ILE HG12 . . 3.900 2.727 2.417 3.543     .  0  0 "[    .    1    .    2]" 1 
       1263 1  95 ILE HA   1  95 ILE HG13 . . 3.570 2.453 2.156 2.658     .  0  0 "[    .    1    .    2]" 1 
       1264 1  95 ILE HA   1  95 ILE MG   . . 3.230 2.578 2.527 2.635     .  0  0 "[    .    1    .    2]" 1 
       1265 1  95 ILE HA   1  97 SER H    . . 4.370 3.834 3.731 3.944     .  0  0 "[    .    1    .    2]" 1 
       1266 1  95 ILE HB   1  95 ILE MD   . . 3.530 2.135 1.927 2.303     .  0  0 "[    .    1    .    2]" 1 
       1267 1  95 ILE HB   1  96 THR H    . . 3.780 2.401 2.279 2.547     .  0  0 "[    .    1    .    2]" 1 
       1268 1  95 ILE HB   1  96 THR HB   . . 4.760 4.264 4.189 4.358     .  0  0 "[    .    1    .    2]" 1 
       1269 1  95 ILE HB   1  96 THR MG   . . 4.370 3.866 3.742 4.032     .  0  0 "[    .    1    .    2]" 1 
       1270 1  95 ILE HG12 1  95 ILE MG   . . 3.530 2.308 2.039 2.473     .  0  0 "[    .    1    .    2]" 1 
       1271 1  95 ILE HG13 1  95 ILE MG   . . 3.130 3.157 2.584 3.234 0.104  5  0 "[    .    1    .    2]" 1 
       1272 1  95 ILE MG   1  96 THR H    . . 4.140 2.430 2.259 2.584     .  0  0 "[    .    1    .    2]" 1 
       1273 1  95 ILE MG   1  96 THR HA   . . 4.540 3.123 3.026 3.183     .  0  0 "[    .    1    .    2]" 1 
       1274 1  95 ILE MG   1  96 THR HB   . . 4.240 3.010 2.831 3.158     .  0  0 "[    .    1    .    2]" 1 
       1275 1  95 ILE MG   1  96 THR MG   . . 3.780 3.754 3.667 3.791 0.011 17  0 "[    .    1    .    2]" 1 
       1276 1  96 THR H    1  96 THR HB   . . 3.910 2.468 2.380 2.523     .  0  0 "[    .    1    .    2]" 1 
       1277 1  96 THR H    1  96 THR MG   . . 3.640 2.034 1.935 2.234     .  0  0 "[    .    1    .    2]" 1 
       1278 1  96 THR H    1  97 SER H    . . 3.810 2.625 2.554 2.673     .  0  0 "[    .    1    .    2]" 1 
       1279 1  96 THR HA   1  96 THR MG   . . 3.500 3.240 3.230 3.245     .  0  0 "[    .    1    .    2]" 1 
       1280 1  96 THR HA   1  98 LYS H    . . 4.600 4.510 4.360 4.631 0.031  8  0 "[    .    1    .    2]" 1 
       1281 1  96 THR HB   1  97 SER H    . . 4.370 4.344 4.264 4.399 0.029 19  0 "[    .    1    .    2]" 1 
       1282 1  96 THR MG   1  97 SER H    . . 4.540 2.815 2.601 3.046     .  0  0 "[    .    1    .    2]" 1 
       1283 1  96 THR MG   1  97 SER HA   . . 4.760 4.107 3.994 4.190     .  0  0 "[    .    1    .    2]" 1 
       1284 1  96 THR MG   1  98 LYS H    . . 4.140 1.902 1.861 1.961     .  0  0 "[    .    1    .    2]" 1 
       1285 1  96 THR MG   1  98 LYS QB   . . 4.240 2.379 2.158 3.054     .  0  0 "[    .    1    .    2]" 1 
       1286 1  96 THR MG   1  98 LYS QD   . . 4.540 4.205 2.526 4.522     .  0  0 "[    .    1    .    2]" 1 
       1287 1  97 SER H    1  97 SER HB2  . . 4.140 3.277 3.213 3.373     .  0  0 "[    .    1    .    2]" 1 
       1288 1  97 SER H    1  97 SER HB3  . . 4.140 4.075 4.025 4.104     .  0  0 "[    .    1    .    2]" 1 
       1289 1  97 SER H    1  98 LYS H    . . 3.810 2.577 2.391 2.803     .  0  0 "[    .    1    .    2]" 1 
       1290 1  97 SER HB2  1  98 LYS H    . . 4.370 4.254 4.160 4.349     .  0  0 "[    .    1    .    2]" 1 
       1291 1  97 SER HB3  1  98 LYS H    . . 4.370 4.293 4.127 4.399 0.029 17  0 "[    .    1    .    2]" 1 
       1292 1  98 LYS H    1  98 LYS QB   . . 3.640 2.786 2.684 3.106     .  0  0 "[    .    1    .    2]" 1 
       1293 1  98 LYS H    1  98 LYS QG   . . 4.470 4.118 2.909 4.273     .  0  0 "[    .    1    .    2]" 1 
       1294 1  98 LYS H    1  99 VAL H    . . 5.090 4.257 4.014 4.391     .  0  0 "[    .    1    .    2]" 1 
       1295 1  98 LYS HA   1  98 LYS QD   . . 4.760 3.670 2.702 4.317     .  0  0 "[    .    1    .    2]" 1 
       1296 1  98 LYS HA   1  98 LYS QG   . . 3.780 2.115 1.959 3.245     .  0  0 "[    .    1    .    2]" 1 
       1297 1  98 LYS HA   1  99 VAL H    . . 2.990 2.264 2.180 2.378     .  0  0 "[    .    1    .    2]" 1 
       1298 1  98 LYS HA   1  99 VAL QG   . . 4.760 3.631 3.445 3.822     .  0  0 "[    .    1    .    2]" 1 
       1299 1  98 LYS QB   1  98 LYS QD   . . 3.390 2.033 1.943 2.086     .  0  0 "[    .    1    .    2]" 1 
       1300 1  98 LYS QB   1  98 LYS QE   . . 3.840 3.235 2.523 3.540     .  0  0 "[    .    1    .    2]" 1 
       1301 1  98 LYS QB   1  99 VAL H    . . 3.780 3.486 2.868 3.781 0.001 15  0 "[    .    1    .    2]" 1 
       1302 1  98 LYS QE   1  98 LYS QG   . . 3.280 2.060 1.948 2.228     .  0  0 "[    .    1    .    2]" 1 
       1303 1  98 LYS QG   1  99 VAL H    . . 3.910 2.707 2.152 3.148     .  0  0 "[    .    1    .    2]" 1 
       1304 1  99 VAL H    1  99 VAL QG   . . 3.840 2.192 1.888 2.482     .  0  0 "[    .    1    .    2]" 1 
       1305 1  99 VAL HB   1 100 THR H    . . 4.240 4.134 4.030 4.246 0.006 13  0 "[    .    1    .    2]" 1 
       1306 1  99 VAL QG   1 100 THR H    . . 3.900 2.088 1.933 2.259     .  0  0 "[    .    1    .    2]" 1 
       1307 1  99 VAL QG   1 101 LEU QD   . . 3.260 1.973 1.536 2.509     .  0  0 "[    .    1    .    2]" 1 
       1308 1  99 VAL QG   1 101 LEU HG   . . 4.050 2.840 2.101 3.531     .  0  0 "[    .    1    .    2]" 1 
       1309 1 100 THR H    1 100 THR HB   . . 3.470 2.476 2.311 2.821     .  0  0 "[    .    1    .    2]" 1 
       1310 1 100 THR H    1 100 THR MG   . . 4.240 3.741 3.569 3.864     .  0  0 "[    .    1    .    2]" 1 
       1311 1 100 THR HA   1 100 THR MG   . . 3.130 2.459 2.108 2.695     .  0  0 "[    .    1    .    2]" 1 
       1312 1 100 THR HA   1 101 LEU H    . . 3.170 2.184 2.151 2.244     .  0  0 "[    .    1    .    2]" 1 
       1313 1 100 THR HB   1 101 LEU H    . . 4.760 4.527 4.114 4.683     .  0  0 "[    .    1    .    2]" 1 
       1314 1 100 THR MG   1 101 LEU H    . . 3.530 3.146 2.465 3.547 0.017  6  0 "[    .    1    .    2]" 1 
       1315 1 101 LEU H    1 101 LEU QB   . . 3.870 2.429 2.251 2.665     .  0  0 "[    .    1    .    2]" 1 
       1316 1 101 LEU H    1 101 LEU QD   . . 4.370 2.851 1.887 3.695     .  0  0 "[    .    1    .    2]" 1 
       1317 1 101 LEU H    1 101 LEU HG   . . 4.040 3.386 2.620 4.122 0.082  6  0 "[    .    1    .    2]" 1 
       1318 1 101 LEU H    1 102 GLU H    . . 5.240 4.364 4.108 4.465     .  0  0 "[    .    1    .    2]" 1 
       1319 1 101 LEU HA   1 101 LEU QD   . . 3.210 2.154 1.915 2.703     .  0  0 "[    .    1    .    2]" 1 
       1320 1 101 LEU HA   1 102 GLU H    . . 3.210 2.181 2.176 2.203     .  0  0 "[    .    1    .    2]" 1 
       1321 1 101 LEU QB   1 102 GLU H    . . 4.470 3.410 3.170 3.573     .  0  0 "[    .    1    .    2]" 1 
       1322 1 101 LEU QB   1 103 ILE MD   . . 3.970 2.985 2.639 3.417     .  0  0 "[    .    1    .    2]" 1 
       1323 1 101 LEU QB   1 103 ILE HG12 . . 3.500 3.140 2.960 3.338     .  0  0 "[    .    1    .    2]" 1 
       1324 1 101 LEU QB   1 103 ILE HG13 . . 4.540 3.912 3.745 4.231     .  0  0 "[    .    1    .    2]" 1 
       1325 1 101 LEU QD   1 102 GLU H    . . 4.140 3.607 3.233 4.057     .  0  0 "[    .    1    .    2]" 1 
       1326 1 102 GLU H    1 102 GLU QB   . . 3.900 2.279 2.236 2.335     .  0  0 "[    .    1    .    2]" 1 
       1327 1 102 GLU H    1 102 GLU HG2  . . 4.760 4.583 4.329 4.725     .  0  0 "[    .    1    .    2]" 1 
       1328 1 102 GLU H    1 102 GLU HG3  . . 4.370 4.390 4.311 4.523 0.153  7  0 "[    .    1    .    2]" 1 
       1329 1 102 GLU H    1 103 ILE H    . . 5.090 4.358 4.295 4.490     .  0  0 "[    .    1    .    2]" 1 
       1330 1 102 GLU HA   1 102 GLU HG2  . . 3.840 3.419 3.237 3.685     .  0  0 "[    .    1    .    2]" 1 
       1331 1 102 GLU HA   1 102 GLU HG3  . . 3.970 2.269 2.046 2.526     .  0  0 "[    .    1    .    2]" 1 
       1332 1 102 GLU HA   1 103 ILE H    . . 3.260 2.211 2.202 2.223     .  0  0 "[    .    1    .    2]" 1 
       1333 1 102 GLU HA   1 103 ILE HB   . . 4.760 4.674 4.519 4.781 0.021 17  0 "[    .    1    .    2]" 1 
       1334 1 102 GLU QB   1 103 ILE H    . . 4.540 3.953 3.873 4.016     .  0  0 "[    .    1    .    2]" 1 
       1335 1 102 GLU HG2  1 103 ILE H    . . 4.540 4.177 3.757 4.444     .  0  0 "[    .    1    .    2]" 1 
       1336 1 102 GLU HG3  1 103 ILE H    . . 4.370 3.168 2.781 3.491     .  0  0 "[    .    1    .    2]" 1 
       1337 1 103 ILE H    1 103 ILE HB   . . 3.640 2.528 2.359 2.684     .  0  0 "[    .    1    .    2]" 1 
       1338 1 103 ILE H    1 103 ILE MD   . . 4.240 3.758 3.618 3.930     .  0  0 "[    .    1    .    2]" 1 
       1339 1 103 ILE H    1 103 ILE HG12 . . 3.970 2.503 2.257 2.693     .  0  0 "[    .    1    .    2]" 1 
       1340 1 103 ILE H    1 103 ILE HG13 . . 4.140 3.711 3.468 3.914     .  0  0 "[    .    1    .    2]" 1 
       1341 1 103 ILE H    1 103 ILE MG   . . 4.280 3.792 3.705 3.860     .  0  0 "[    .    1    .    2]" 1 
       1342 1 103 ILE HA   1 103 ILE MD   . . 3.440 2.253 2.051 2.535     .  0  0 "[    .    1    .    2]" 1 
       1343 1 103 ILE HA   1 103 ILE MG   . . 3.320 2.307 2.198 2.461     .  0  0 "[    .    1    .    2]" 1 
       1344 1 103 ILE HA   1 104 GLU H    . . 3.130 2.477 2.409 2.510     .  0  0 "[    .    1    .    2]" 1 
       1345 1 103 ILE HB   1 103 ILE MD   . . 3.390 3.187 3.134 3.211     .  0  0 "[    .    1    .    2]" 1 
       1346 1 103 ILE HB   1 104 GLU H    . . 3.730 3.595 3.417 3.797 0.067 20  0 "[    .    1    .    2]" 1 
       1347 1 103 ILE HB   1 105 PHE QD   . . 4.760 4.058 3.709 4.598     .  0  0 "[    .    1    .    2]" 1 
       1348 1 103 ILE MD   1 103 ILE MG   . . 2.500 1.878 1.799 1.928     .  0  0 "[    .    1    .    2]" 1 
       1349 1 103 ILE MD   1 104 GLU H    . . 3.970 3.576 3.243 3.769     .  0  0 "[    .    1    .    2]" 1 
       1350 1 103 ILE HG12 1 103 ILE MG   . . 3.350 3.225 3.177 3.239     .  0  0 "[    .    1    .    2]" 1 
       1351 1 103 ILE HG13 1 103 ILE MG   . . 3.350 2.500 2.374 2.686     .  0  0 "[    .    1    .    2]" 1 
       1352 1 103 ILE MG   1 104 GLU H    . . 3.570 1.847 1.786 1.961     .  0  0 "[    .    1    .    2]" 1 
       1353 1 103 ILE MG   1 104 GLU HA   . . 4.370 3.609 3.411 3.780     .  0  0 "[    .    1    .    2]" 1 
       1354 1 103 ILE MG   1 104 GLU HB3  . . 4.540 4.062 3.928 4.176     .  0  0 "[    .    1    .    2]" 1 
       1355 1 103 ILE MG   1 105 PHE H    . . 4.760 4.294 4.133 4.441     .  0  0 "[    .    1    .    2]" 1 
       1356 1 103 ILE MG   1 105 PHE HA   . . 4.370 4.402 4.372 4.504 0.134 20  0 "[    .    1    .    2]" 1 
       1357 1 103 ILE MG   1 105 PHE HB3  . . 4.240 3.700 3.546 3.971     .  0  0 "[    .    1    .    2]" 1 
       1358 1 103 ILE MG   1 105 PHE QD   . . 3.170 3.156 2.968 3.271 0.101 20  0 "[    .    1    .    2]" 1 
       1359 1 104 GLU H    1 104 GLU HB2  . . 4.140 3.475 3.342 3.561     .  0  0 "[    .    1    .    2]" 1 
       1360 1 104 GLU H    1 104 GLU HB3  . . 4.070 2.660 2.511 2.743     .  0  0 "[    .    1    .    2]" 1 
       1361 1 104 GLU H    1 104 GLU HG2  . . 4.470 4.217 4.100 4.313     .  0  0 "[    .    1    .    2]" 1 
       1362 1 104 GLU HA   1 104 GLU HG2  . . 3.780 3.650 3.457 3.697     .  0  0 "[    .    1    .    2]" 1 
       1363 1 104 GLU HA   1 104 GLU HG3  . . 3.640 2.678 2.583 2.745     .  0  0 "[    .    1    .    2]" 1 
       1364 1 104 GLU HA   1 105 PHE H    . . 3.130 2.235 2.209 2.336     .  0  0 "[    .    1    .    2]" 1 
       1365 1 104 GLU HB2  1 105 PHE H    . . 4.670 4.082 3.924 4.172     .  0  0 "[    .    1    .    2]" 1 
       1366 1 104 GLU HG2  1 105 PHE H    . . 4.240 3.776 3.202 4.012     .  0  0 "[    .    1    .    2]" 1 
       1367 1 104 GLU HG2  1 105 PHE QD   . . 5.500 5.399 4.932 5.534 0.034 20  0 "[    .    1    .    2]" 1 
       1368 1 104 GLU HG3  1 105 PHE H    . . 4.100 2.541 1.955 2.728     .  0  0 "[    .    1    .    2]" 1 
       1369 1 104 GLU HG3  1 105 PHE QD   . . 4.540 4.475 4.233 4.631 0.091 20  0 "[    .    1    .    2]" 1 
       1370 1 105 PHE H    1 105 PHE QD   . . 3.310 2.271 2.092 3.022     .  0  0 "[    .    1    .    2]" 1 
       1371 1 105 PHE HA   1 106 ASP H    . . 3.350 2.635 2.580 2.664     .  0  0 "[    .    1    .    2]" 1 
       1372 1 105 PHE HB2  1 106 ASP H    . . 3.780 2.183 2.133 2.293     .  0  0 "[    .    1    .    2]" 1 
       1373 1 105 PHE HB3  1 106 ASP H    . . 4.050 3.547 3.427 3.643     .  0  0 "[    .    1    .    2]" 1 
       1374 1 105 PHE QD   1 106 ASP H    . . 3.590 3.459 2.940 3.609 0.019  3  0 "[    .    1    .    2]" 1 
       1375 1 105 PHE QD   1 107 VAL QG   . . 3.060 2.864 2.438 3.024     .  0  0 "[    .    1    .    2]" 1 
       1376 1 105 PHE QE   1 107 VAL QG   . . 3.240 2.766 2.057 3.148     .  0  0 "[    .    1    .    2]" 1 
       1377 1 106 ASP H    1 106 ASP HB3  . . 3.570 3.189 2.960 3.678 0.108 15  0 "[    .    1    .    2]" 1 
       1378 1 106 ASP HA   1 107 VAL H    . . 3.160 2.402 2.252 2.492     .  0  0 "[    .    1    .    2]" 1 
       1379 1 106 ASP HA   1 107 VAL QG   . . 4.050 3.320 3.157 3.629     .  0  0 "[    .    1    .    2]" 1 
       1380 1 106 ASP HB2  1 107 VAL H    . . 3.640 2.998 2.526 3.639     .  0  0 "[    .    1    .    2]" 1 
       1381 1 106 ASP HB3  1 107 VAL H    . . 4.530 3.646 2.704 4.195     .  0  0 "[    .    1    .    2]" 1 
       1382 1 107 VAL H    1 107 VAL HB   . . 3.470 2.737 2.417 3.528 0.058 20  0 "[    .    1    .    2]" 1 
       1383 1 107 VAL H    1 107 VAL QG   . . 3.260 2.540 1.898 2.843     .  0  0 "[    .    1    .    2]" 1 
       1384 1 107 VAL H    1 108 ALA H    . . 4.530 4.486 4.396 4.650 0.120 16  0 "[    .    1    .    2]" 1 
       1385 1 107 VAL HA   1 107 VAL QG   . . 2.950 2.153 2.058 2.403     .  0  0 "[    .    1    .    2]" 1 
       1386 1 107 VAL HA   1 108 ALA H    . . 2.710 2.301 2.238 2.386     .  0  0 "[    .    1    .    2]" 1 
       1387 1 107 VAL HA   1 108 ALA MB   . . 3.900 3.887 3.852 3.914 0.014 19  0 "[    .    1    .    2]" 1 
       1388 1 107 VAL HB   1 108 ALA H    . . 4.050 3.808 2.767 4.054 0.004 11  0 "[    .    1    .    2]" 1 
       1389 1 107 VAL QG   1 108 ALA H    . . 3.280 2.251 1.926 3.203     .  0  0 "[    .    1    .    2]" 1 
       1390 1 108 ALA H    1 108 ALA MB   . . 2.850 2.008 1.949 2.163     .  0  0 "[    .    1    .    2]" 1 
       1391 1 108 ALA HA   1 109 GLU H    . . 2.930 2.271 2.188 2.368     .  0  0 "[    .    1    .    2]" 1 
       1392 1 108 ALA MB   1 109 GLU H    . . 3.690 3.043 2.817 3.421     .  0  0 "[    .    1    .    2]" 1 
       1393 1 109 GLU H    1 109 GLU HB2  . . 3.250 2.718 2.257 3.768 0.518 11  1 "[    .    1+   .    2]" 1 
       1394 1 109 GLU H    1 109 GLU HB3  . . 3.980 3.410 2.809 3.653     .  0  0 "[    .    1    .    2]" 1 
       1395 1 109 GLU H    1 109 GLU QG   . . 3.680 2.872 2.053 3.632     .  0  0 "[    .    1    .    2]" 1 
       1396 1 109 GLU HA   1 109 GLU QG   . . 3.780 2.499 1.980 3.364     .  0  0 "[    .    1    .    2]" 1 
       1397 1 109 GLU HA   1 110 SER H    . . 2.950 2.501 2.273 2.558     .  0  0 "[    .    1    .    2]" 1 
       1398 1 109 GLU HB2  1 110 SER H    . . 4.670 3.507 2.362 4.115     .  0  0 "[    .    1    .    2]" 1 
       1399 1 109 GLU HB3  1 110 SER H    . . 3.440 2.857 2.331 3.928 0.488  8  0 "[    .    1    .    2]" 1 
       1400 1 110 SER H    1 110 SER QB   . . 3.450 2.301 2.030 2.523     .  0  0 "[    .    1    .    2]" 1 
       1401 1 110 SER H    1 111 VAL H    . . 4.370 4.306 4.106 4.380 0.010 16  0 "[    .    1    .    2]" 1 
       1402 1 110 SER HA   1 111 VAL H    . . 3.040 2.242 2.217 2.264     .  0  0 "[    .    1    .    2]" 1 
       1403 1 110 SER QB   1 111 VAL H    . . 4.240 3.753 3.517 4.023     .  0  0 "[    .    1    .    2]" 1 
       1404 1 111 VAL H    1 111 VAL HB   . . 3.600 3.095 2.305 3.537     .  0  0 "[    .    1    .    2]" 1 
       1405 1 111 VAL H    1 111 VAL MG1  . . 3.770 2.695 1.971 4.032 0.262 16  0 "[    .    1    .    2]" 1 
       1406 1 111 VAL HA   1 111 VAL MG2  . . 3.020 2.347 2.124 3.212 0.192  5  0 "[    .    1    .    2]" 1 
       1407 1 111 VAL HA   1 112 ILE H    . . 3.080 2.288 2.188 2.483     .  0  0 "[    .    1    .    2]" 1 
       1408 1 111 VAL HB   1 112 ILE H    . . 4.420 4.107 2.922 4.337     .  0  0 "[    .    1    .    2]" 1 
       1409 1 111 VAL MG2  1 112 ILE H    . . 3.970 2.739 1.913 4.041 0.071 16  0 "[    .    1    .    2]" 1 
       1410 1 112 ILE H    1 112 ILE HB   . . 3.500 3.012 2.097 3.535 0.035  4  0 "[    .    1    .    2]" 1 
       1411 1 112 ILE H    1 112 ILE MD   . . 4.200 3.287 2.267 4.057     .  0  0 "[    .    1    .    2]" 1 
       1412 1 112 ILE H    1 112 ILE HG12 . . 4.240 3.008 1.999 4.506 0.266 13  0 "[    .    1    .    2]" 1 
       1413 1 112 ILE H    1 112 ILE HG13 . . 4.470 2.658 2.088 3.987     .  0  0 "[    .    1    .    2]" 1 
       1414 1 112 ILE H    1 112 ILE MG   . . 4.670 2.874 2.125 3.777     .  0  0 "[    .    1    .    2]" 1 
       1415 1 112 ILE HA   1 112 ILE HG13 . . 3.780 3.118 2.120 3.695     .  0  0 "[    .    1    .    2]" 1 
       1416 1 112 ILE HA   1 112 ILE MG   . . 3.570 2.408 2.105 3.161     .  0  0 "[    .    1    .    2]" 1 
       1417 1 112 ILE HA   1 113 PRO HD2  . . 3.060 2.454 2.193 2.723     .  0  0 "[    .    1    .    2]" 1 
       1418 1 112 ILE HA   1 113 PRO HD3  . . 3.090 1.957 1.909 2.069     .  0  0 "[    .    1    .    2]" 1 
       1419 1 112 ILE HB   1 113 PRO HD3  . . 4.240 4.135 3.094 4.671 0.431 15  0 "[    .    1    .    2]" 1 
       1420 1 112 ILE HG12 1 112 ILE MG   . . 3.370 2.231 1.993 3.211     .  0  0 "[    .    1    .    2]" 1 
       1421 1 112 ILE HG13 1 112 ILE MG   . . 3.730 3.037 2.341 3.239     .  0  0 "[    .    1    .    2]" 1 
       1422 1 112 ILE MG   1 113 PRO HD2  . . 4.370 2.833 1.784 3.854     .  0  0 "[    .    1    .    2]" 1 
       1423 1 112 ILE MG   1 113 PRO HD3  . . 3.840 3.416 2.875 4.209 0.369 13  0 "[    .    1    .    2]" 1 
    stop_

save_



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