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
603467 2n39 25638 cing 4-filtered-FRED Wattos check violation distance


data_2n39


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              1271
    _Distance_constraint_stats_list.Viol_count                    3412
    _Distance_constraint_stats_list.Viol_total                    5886.364
    _Distance_constraint_stats_list.Viol_max                      1.000
    _Distance_constraint_stats_list.Viol_rms                      0.0482
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0116
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0863
    _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   2 PRO  0.000 0.000  . 0 "[    .    1    .    2]" 
       1   3 LEU  2.550 0.571 17 2 "[    . -  1    . +  2]" 
       1   5 SER  0.000 0.000  . 0 "[    .    1    .    2]" 
       1   6 LEU  1.494 0.171 15 0 "[    .    1    .    2]" 
       1   7 ASP  2.549 0.098  2 0 "[    .    1    .    2]" 
       1   8 GLN  8.904 0.752  8 3 "[    .- + 1    . *  2]" 
       1   9 LYS  2.754 0.548 12 1 "[    .    1 +  .    2]" 
       1  10 THR  5.266 0.548 12 2 "[    .    1 +- .    2]" 
       1  11 PHE 15.685 0.752  8 3 "[    .- + 1    . *  2]" 
       1  12 SER  5.851 0.242  8 0 "[    .    1    .    2]" 
       1  13 ILE  4.085 0.569 20 1 "[    .    1    .    +]" 
       1  14 CYS  7.463 0.543 11 9 "[* *-.   *1+*  .*  **]" 
       1  15 LYS  2.519 0.102  7 0 "[    .    1    .    2]" 
       1  16 GLU  0.838 0.108  4 0 "[    .    1    .    2]" 
       1  17 ARG  2.019 0.569 20 1 "[    .    1    .    +]" 
       1  18 MET  7.412 0.555  7 1 "[    . +  1    .    2]" 
       1  19 ARG  5.198 0.181  5 0 "[    .    1    .    2]" 
       1  20 PRO  3.417 0.090  3 0 "[    .    1    .    2]" 
       1  21 VAL  7.160 0.109 17 0 "[    .    1    .    2]" 
       1  22 LYS  4.113 0.134  2 0 "[    .    1    .    2]" 
       1  23 ALA  2.358 0.109 17 0 "[    .    1    .    2]" 
       1  24 ALA  2.462 0.094 11 0 "[    .    1    .    2]" 
       1  25 LEU  4.577 0.134  2 0 "[    .    1    .    2]" 
       1  26 LYS  6.136 0.506 12 1 "[    .    1 +  .    2]" 
       1  27 GLN  8.690 0.506 12 1 "[    .    1 +  .    2]" 
       1  28 LEU  4.036 0.819  5 1 "[    +    1    .    2]" 
       1  29 ASP  5.185 0.819  5 1 "[    +    1    .    2]" 
       1  30 ARG  2.264 0.284  7 0 "[    .    1    .    2]" 
       1  31 PRO  0.165 0.068 13 0 "[    .    1    .    2]" 
       1  32 GLU  2.791 0.374 10 0 "[    .    1    .    2]" 
       1  33 LYS  7.102 1.000 15 4 "[-*  .    1    +  * 2]" 
       1  34 GLY  1.805 0.374 10 0 "[    .    1    .    2]" 
       1  35 LEU  5.021 0.215  3 0 "[    .    1    .    2]" 
       1  36 SER  3.738 0.100 18 0 "[    .    1    .    2]" 
       1  37 GLU  4.525 0.384 19 0 "[    .    1    .    2]" 
       1  38 ARG  3.534 0.384 19 0 "[    .    1    .    2]" 
       1  39 GLU  4.456 0.135 11 0 "[    .    1    .    2]" 
       1  40 GLN  6.066 0.998  9 1 "[    .   +1    .    2]" 
       1  41 LEU  2.165 0.558  9 1 "[    .   +1    .    2]" 
       1  42 GLU  7.487 0.724  8 3 "[*   .  + 1    .   -2]" 
       1  43 HIS  8.275 0.998  9 2 "[    .   +1    .   *2]" 
       1  44 THR  4.773 0.197  7 0 "[    .    1    .    2]" 
       1  45 ARG  5.315 0.446 16 0 "[    .    1    .    2]" 
       1  46 GLN  3.597 0.381 17 0 "[    .    1    .    2]" 
       1  47 CYS  0.403 0.381 17 0 "[    .    1    .    2]" 
       1  48 LEU  2.778 0.252  2 0 "[    .    1    .    2]" 
       1  49 ILE  5.850 0.252  2 0 "[    .    1    .    2]" 
       1  50 LYS  6.955 0.630  2 2 "[ +  .    1    .   -2]" 
       1  51 ILE 12.156 0.114 17 0 "[    .    1    .    2]" 
       1  52 GLY  4.086 0.101 19 0 "[    .    1    .    2]" 
       1  53 ASP 10.233 0.630  2 8 "[*+ *. * *1   *. * *2]" 
       1  54 HIS  9.489 0.623  7 8 "[*- *. + *1   *. * *2]" 
       1  55 ILE  7.672 0.111  7 0 "[    .    1    .    2]" 
       1  56 THR  7.438 0.933 16 5 "[ *  .    1- * .+ * 2]" 
       1  57 GLU 11.421 0.933 16 8 "[**  . *  1- * .+** 2]" 
       1  58 CYS  3.421 0.100  1 0 "[    .    1    .    2]" 
       1  59 LEU  9.686 0.095 14 0 "[    .    1    .    2]" 
       1  60 LYS  3.126 0.109 17 0 "[    .    1    .    2]" 
       1  61 GLU  6.844 0.106 20 0 "[    .    1    .    2]" 
       1  62 TYR 20.973 0.744 19 2 "[    .    1    -   +2]" 
       1  63 THR  2.616 0.128 19 0 "[    .    1    .    2]" 
       1  64 ASN  2.062 0.088  7 0 "[    .    1    .    2]" 
       1  65 PRO  1.718 0.082 12 0 "[    .    1    .    2]" 
       1  66 GLU  1.356 0.104 14 0 "[    .    1    .    2]" 
       1  67 GLN 10.809 0.744 19 2 "[    .    1    -   +2]" 
       1  68 ILE  9.728 0.108  1 0 "[    .    1    .    2]" 
       1  69 LYS  0.025 0.025  9 0 "[    .    1    .    2]" 
       1  70 GLN  3.523 0.516 15 1 "[    .    1    +    2]" 
       1  71 TRP  9.596 0.720 13 1 "[    .    1  + .    2]" 
       1  72 ARG  3.832 0.094 12 0 "[    .    1    .    2]" 
       1  73 LYS  1.509 0.086 12 0 "[    .    1    .    2]" 
       1  74 ASN  8.778 0.720 13 2 "[    .    1  + -    2]" 
       1  75 LEU  3.289 0.125  2 0 "[    .    1    .    2]" 
       1  76 TRP 13.036 0.792 11 1 "[    .    1+   .    2]" 
       1  77 ILE  2.666 0.103  7 0 "[    .    1    .    2]" 
       1  78 PHE 12.978 0.555  7 1 "[    . +  1    .    2]" 
       1  79 VAL  7.594 0.112 13 0 "[    .    1    .    2]" 
       1  80 SER  4.500 0.975 13 2 "[   -.    1  + .    2]" 
       1  81 LYS  4.340 0.097 12 0 "[    .    1    .    2]" 
       1  82 PHE  6.790 0.129 12 0 "[    .    1    .    2]" 
       1  83 THR  6.411 0.875  4 2 "[   +.    1  - .    2]" 
       1  84 GLU  1.216 0.123  6 0 "[    .    1    .    2]" 
       1  85 PHE  3.829 0.405  2 0 "[    .    1    .    2]" 
       1  86 ASP  1.285 0.095 10 0 "[    .    1    .    2]" 
       1  87 ALA  0.692 0.091  6 0 "[    .    1    .    2]" 
       1  88 ARG  0.066 0.066 19 0 "[    .    1    .    2]" 
       1  89 LYS  0.584 0.082  4 0 "[    .    1    .    2]" 
       1  90 LEU 15.142 0.975 13 5 "[   *.  * -* + .    2]" 
       1  91 HIS  4.193 0.765  8 4 "[   *.  + -  * .    2]" 
       1  92 LYS  0.146 0.074 14 0 "[    .    1    .    2]" 
       1  93 LEU  1.192 0.128 15 0 "[    .    1    .    2]" 
       1  94 TYR  8.451 0.119  8 0 "[    .    1    .    2]" 
       1  95 LYS  0.512 0.077 12 0 "[    .    1    .    2]" 
       1  96 HIS  2.735 0.112  5 0 "[    .    1    .    2]" 
       1  97 ALA  0.989 0.112  5 0 "[    .    1    .    2]" 
       1  98 ILE  4.223 0.115 19 0 "[    .    1    .    2]" 
       1  99 LYS  3.871 0.119 12 0 "[    .    1    .    2]" 
       1 100 LYS  4.819 0.871  9 3 "[    .   +1 -  *    2]" 
       1 101 ARG  5.957 0.871  9 3 "[    .   +1 *  -    2]" 
       1 102 GLN  2.392 0.348  1 0 "[    .    1    .    2]" 
       1 103 GLU  2.457 0.674 12 1 "[    .    1 +  .    2]" 
       1 104 SER  1.213 0.674 12 1 "[    .    1 +  .    2]" 
       1 105 GLN  3.023 0.809 17 2 "[    .    1    - +  2]" 
       1 106 GLN  3.946 0.809 17 2 "[    .    1    - +  2]" 
       1 107 ASN  1.880 0.413 20 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   2 PRO QB   1   3 LEU H    . . 4.170 3.014 2.135 3.990     .  0 0 "[    .    1    .    2]" 1 
          2 1   3 LEU H    1   3 LEU MD1  . . 3.940 3.572 2.024 4.511 0.571 17 2 "[    . -  1    . +  2]" 1 
          3 1   3 LEU HA   1   3 LEU MD2  . . 4.770 2.790 2.025 3.738     .  0 0 "[    .    1    .    2]" 1 
          4 1   3 LEU HB3  1   3 LEU MD2  . . 3.400 2.524 2.161 3.263     .  0 0 "[    .    1    .    2]" 1 
          5 1   5 SER HA   1   6 LEU QD   . . 5.500 3.940 2.891 4.871     .  0 0 "[    .    1    .    2]" 1 
          6 1   5 SER QB   1   6 LEU H    . . 5.100 2.995 2.041 4.060     .  0 0 "[    .    1    .    2]" 1 
          7 1   6 LEU H    1   6 LEU HB3  . . 4.030 3.735 3.198 4.201 0.171 15 0 "[    .    1    .    2]" 1 
          8 1   6 LEU H    1  11 PHE QD   . . 5.500 5.147 3.969 5.598 0.098  5 0 "[    .    1    .    2]" 1 
          9 1   6 LEU HA   1   6 LEU QD   . . 3.170 2.208 2.054 2.403     .  0 0 "[    .    1    .    2]" 1 
         10 1   6 LEU HA   1   6 LEU HG   . . 4.080 2.901 2.511 3.464     .  0 0 "[    .    1    .    2]" 1 
         11 1   6 LEU HA   1   7 ASP H    . . 2.820 2.224 2.103 2.516     .  0 0 "[    .    1    .    2]" 1 
         12 1   6 LEU HA   1  10 THR MG   . . 4.520 3.090 2.455 4.258     .  0 0 "[    .    1    .    2]" 1 
         13 1   6 LEU HA   1  11 PHE H    . . 5.350 4.664 3.926 5.420 0.070 11 0 "[    .    1    .    2]" 1 
         14 1   6 LEU HB2  1  11 PHE H    . . 4.970 4.414 3.583 5.039 0.069  1 0 "[    .    1    .    2]" 1 
         15 1   6 LEU HB2  1  11 PHE QD   . . 3.720 2.812 2.109 3.679     .  0 0 "[    .    1    .    2]" 1 
         16 1   6 LEU HB3  1  11 PHE H    . . 4.190 3.099 2.517 3.372     .  0 0 "[    .    1    .    2]" 1 
         17 1   6 LEU HB3  1  11 PHE QD   . . 3.700 3.174 2.142 3.795 0.095 15 0 "[    .    1    .    2]" 1 
         18 1   6 LEU QD   1   7 ASP H    . . 4.130 3.790 3.342 4.087     .  0 0 "[    .    1    .    2]" 1 
         19 1   6 LEU QD   1  11 PHE H    . . 4.540 3.991 3.435 4.282     .  0 0 "[    .    1    .    2]" 1 
         20 1   6 LEU QD   1  11 PHE HA   . . 3.700 2.600 2.047 2.919     .  0 0 "[    .    1    .    2]" 1 
         21 1   6 LEU QD   1  11 PHE HB2  . . 5.050 3.601 3.360 3.875     .  0 0 "[    .    1    .    2]" 1 
         22 1   6 LEU QD   1  11 PHE QD   . . 3.600 2.613 2.032 3.471     .  0 0 "[    .    1    .    2]" 1 
         23 1   6 LEU QD   1  11 PHE QE   . . 4.690 3.680 2.750 4.674     .  0 0 "[    .    1    .    2]" 1 
         24 1   6 LEU QD   1  74 ASN HA   . . 3.320 2.430 2.050 3.317     .  0 0 "[    .    1    .    2]" 1 
         25 1   6 LEU QD   1  74 ASN HB3  . . 4.710 2.605 2.143 4.277     .  0 0 "[    .    1    .    2]" 1 
         26 1   6 LEU QD   1  74 ASN QD   . . 5.500 3.537 2.954 4.058     .  0 0 "[    .    1    .    2]" 1 
         27 1   6 LEU QD   1  77 ILE H    . . 5.120 4.214 3.873 4.610     .  0 0 "[    .    1    .    2]" 1 
         28 1   6 LEU QD   1  77 ILE HB   . . 3.660 2.711 2.288 3.208     .  0 0 "[    .    1    .    2]" 1 
         29 1   6 LEU QD   1  78 PHE H    . . 3.930 3.031 2.669 3.420     .  0 0 "[    .    1    .    2]" 1 
         30 1   6 LEU QD   1  78 PHE HA   . . 4.450 2.749 2.314 3.468     .  0 0 "[    .    1    .    2]" 1 
         31 1   6 LEU QD   1  78 PHE HB2  . . 3.780 2.300 2.062 2.738     .  0 0 "[    .    1    .    2]" 1 
         32 1   6 LEU QD   1  78 PHE HB3  . . 4.460 3.634 3.418 3.976     .  0 0 "[    .    1    .    2]" 1 
         33 1   6 LEU QD   1  78 PHE QD   . . 3.660 2.610 2.249 3.512     .  0 0 "[    .    1    .    2]" 1 
         34 1   6 LEU QD   1  78 PHE QE   . . 5.040 4.268 3.887 5.029     .  0 0 "[    .    1    .    2]" 1 
         35 1   6 LEU QD   1  79 VAL H    . . 5.430 4.916 4.579 5.236     .  0 0 "[    .    1    .    2]" 1 
         36 1   7 ASP H    1   7 ASP HB2  . . 3.370 2.352 2.013 2.880     .  0 0 "[    .    1    .    2]" 1 
         37 1   7 ASP H    1   7 ASP HB3  . . 3.720 3.009 2.514 3.583     .  0 0 "[    .    1    .    2]" 1 
         38 1   7 ASP H    1  10 THR H    . . 5.500 3.941 3.160 4.465     .  0 0 "[    .    1    .    2]" 1 
         39 1   7 ASP H    1  10 THR MG   . . 4.180 3.307 2.881 3.878     .  0 0 "[    .    1    .    2]" 1 
         40 1   7 ASP HA   1   8 GLN H    . . 3.330 2.480 2.242 2.647     .  0 0 "[    .    1    .    2]" 1 
         41 1   7 ASP HA   1   8 GLN QB   . . 4.620 4.466 3.980 4.696 0.076 19 0 "[    .    1    .    2]" 1 
         42 1   7 ASP HA   1   9 LYS H    . . 4.960 4.637 4.167 4.995 0.035  6 0 "[    .    1    .    2]" 1 
         43 1   7 ASP HB2  1   8 GLN H    . . 3.880 3.823 3.178 3.957 0.077 11 0 "[    .    1    .    2]" 1 
         44 1   7 ASP HB2  1   9 LYS H    . . 4.740 4.318 3.003 4.811 0.071 20 0 "[    .    1    .    2]" 1 
         45 1   7 ASP HB2  1  10 THR H    . . 5.180 3.564 1.973 4.291     .  0 0 "[    .    1    .    2]" 1 
         46 1   7 ASP HB2  1  11 PHE H    . . 5.320 4.972 3.744 5.407 0.087  3 0 "[    .    1    .    2]" 1 
         47 1   7 ASP HB3  1   8 GLN H    . . 3.410 2.963 2.504 3.500 0.090 12 0 "[    .    1    .    2]" 1 
         48 1   7 ASP HB3  1   8 GLN QB   . . 4.630 4.477 3.801 4.728 0.098  2 0 "[    .    1    .    2]" 1 
         49 1   7 ASP HB3  1   9 LYS H    . . 5.060 3.036 2.257 3.912     .  0 0 "[    .    1    .    2]" 1 
         50 1   7 ASP HB3  1  10 THR MG   . . 5.330 4.674 4.163 5.349 0.019 15 0 "[    .    1    .    2]" 1 
         51 1   8 GLN H    1   8 GLN QB   . . 3.140 2.267 2.101 2.434     .  0 0 "[    .    1    .    2]" 1 
         52 1   8 GLN H    1   8 GLN QG   . . 4.210 3.058 2.250 4.021     .  0 0 "[    .    1    .    2]" 1 
         53 1   8 GLN H    1   9 LYS H    . . 4.990 2.877 2.616 3.226     .  0 0 "[    .    1    .    2]" 1 
         54 1   8 GLN HA   1  11 PHE HB2  . . 3.850 3.723 3.316 4.229 0.379 17 0 "[    .    1    .    2]" 1 
         55 1   8 GLN QB   1  11 PHE HB2  . . 5.250 5.536 5.110 6.002 0.752  8 3 "[    .- + 1    . *  2]" 1 
         56 1   8 GLN QG   1   9 LYS H    . . 4.610 3.649 1.938 4.531     .  0 0 "[    .    1    .    2]" 1 
         57 1   9 LYS H    1   9 LYS QB   . . 2.670 2.394 2.088 2.729 0.059 17 0 "[    .    1    .    2]" 1 
         58 1   9 LYS H    1   9 LYS HG2  . . 4.190 3.342 2.210 4.548 0.358  9 0 "[    .    1    .    2]" 1 
         59 1   9 LYS H    1   9 LYS HG3  . . 4.650 3.027 2.115 4.263     .  0 0 "[    .    1    .    2]" 1 
         60 1   9 LYS H    1  10 THR H    . . 3.380 2.779 2.639 2.967     .  0 0 "[    .    1    .    2]" 1 
         61 1   9 LYS H    1  11 PHE H    . . 4.730 4.319 3.939 4.500     .  0 0 "[    .    1    .    2]" 1 
         62 1   9 LYS HA   1   9 LYS QB   . . 2.760 2.422 2.280 2.542     .  0 0 "[    .    1    .    2]" 1 
         63 1   9 LYS HA   1   9 LYS HG2  . . 3.140 2.649 2.232 3.185 0.045  6 0 "[    .    1    .    2]" 1 
         64 1   9 LYS QB   1  10 THR H    . . 3.430 2.353 2.147 2.666     .  0 0 "[    .    1    .    2]" 1 
         65 1   9 LYS HG3  1  10 THR H    . . 4.550 4.498 3.998 5.098 0.548 12 1 "[    .    1 +  .    2]" 1 
         66 1  10 THR H    1  10 THR HB   . . 2.930 2.642 2.276 2.995 0.065  3 0 "[    .    1    .    2]" 1 
         67 1  10 THR H    1  10 THR MG   . . 4.060 3.658 3.408 3.805     .  0 0 "[    .    1    .    2]" 1 
         68 1  10 THR H    1  11 PHE H    . . 3.550 2.903 2.622 3.026     .  0 0 "[    .    1    .    2]" 1 
         69 1  10 THR H    1  11 PHE HB2  . . 5.390 4.973 4.508 5.165     .  0 0 "[    .    1    .    2]" 1 
         70 1  10 THR H    1  11 PHE HB3  . . 5.100 5.123 4.796 5.471 0.371 16 0 "[    .    1    .    2]" 1 
         71 1  10 THR HA   1  10 THR MG   . . 3.170 2.396 2.259 2.585     .  0 0 "[    .    1    .    2]" 1 
         72 1  10 THR HA   1  13 ILE MD   . . 5.160 3.027 2.251 4.231     .  0 0 "[    .    1    .    2]" 1 
         73 1  10 THR HB   1  11 PHE H    . . 3.300 2.546 2.364 2.939     .  0 0 "[    .    1    .    2]" 1 
         74 1  10 THR MG   1  11 PHE H    . . 4.270 3.655 3.315 4.035     .  0 0 "[    .    1    .    2]" 1 
         75 1  10 THR MG   1  13 ILE H    . . 5.060 4.886 4.694 5.105 0.045 18 0 "[    .    1    .    2]" 1 
         76 1  10 THR MG   1  71 TRP HH2  . . 3.730 2.856 2.521 3.158     .  0 0 "[    .    1    .    2]" 1 
         77 1  10 THR MG   1  71 TRP HZ2  . . 4.320 4.155 3.696 4.412 0.092 12 0 "[    .    1    .    2]" 1 
         78 1  10 THR MG   1  71 TRP HZ3  . . 3.880 2.476 2.178 2.912     .  0 0 "[    .    1    .    2]" 1 
         79 1  10 THR MG   1  74 ASN HA   . . 4.930 4.373 4.011 4.906     .  0 0 "[    .    1    .    2]" 1 
         80 1  10 THR MG   1  74 ASN HB2  . . 3.700 3.655 3.302 4.244 0.544 13 1 "[    .    1  + .    2]" 1 
         81 1  10 THR MG   1  74 ASN HB3  . . 4.320 2.799 2.372 3.798     .  0 0 "[    .    1    .    2]" 1 
         82 1  10 THR MG   1  74 ASN QD   . . 3.990 2.230 1.850 2.455     .  0 0 "[    .    1    .    2]" 1 
         83 1  11 PHE H    1  11 PHE HB2  . . 3.220 2.238 2.076 2.334     .  0 0 "[    .    1    .    2]" 1 
         84 1  11 PHE H    1  11 PHE HB3  . . 3.180 2.596 2.385 2.837     .  0 0 "[    .    1    .    2]" 1 
         85 1  11 PHE H    1  11 PHE QD   . . 4.250 4.090 3.977 4.161     .  0 0 "[    .    1    .    2]" 1 
         86 1  11 PHE H    1  12 SER H    . . 3.460 2.763 2.606 2.890     .  0 0 "[    .    1    .    2]" 1 
         87 1  11 PHE H    1  13 ILE H    . . 4.990 4.206 3.942 4.466     .  0 0 "[    .    1    .    2]" 1 
         88 1  11 PHE H    1  13 ILE MD   . . 5.500 5.350 5.002 5.603 0.103  3 0 "[    .    1    .    2]" 1 
         89 1  11 PHE HA   1  11 PHE QD   . . 3.510 2.634 2.217 3.028     .  0 0 "[    .    1    .    2]" 1 
         90 1  11 PHE HA   1  78 PHE QD   . . 4.680 3.959 3.374 4.425     .  0 0 "[    .    1    .    2]" 1 
         91 1  11 PHE HB2  1  12 SER H    . . 3.520 3.722 3.584 3.762 0.242  8 0 "[    .    1    .    2]" 1 
         92 1  11 PHE HB3  1  12 SER H    . . 3.680 2.544 2.317 2.852     .  0 0 "[    .    1    .    2]" 1 
         93 1  11 PHE QD   1  12 SER H    . . 4.200 3.915 3.273 4.309 0.109  4 0 "[    .    1    .    2]" 1 
         94 1  11 PHE QD   1  78 PHE QD   . . 3.800 3.460 2.365 3.898 0.098 13 0 "[    .    1    .    2]" 1 
         95 1  12 SER H    1  12 SER HA   . . 2.850 2.862 2.803 2.915 0.065  8 0 "[    .    1    .    2]" 1 
         96 1  12 SER H    1  12 SER QB   . . 3.640 2.355 2.096 2.596     .  0 0 "[    .    1    .    2]" 1 
         97 1  12 SER H    1  13 ILE H    . . 3.190 2.709 2.456 2.883     .  0 0 "[    .    1    .    2]" 1 
         98 1  12 SER H    1  13 ILE HA   . . 5.410 5.322 5.089 5.474 0.064 18 0 "[    .    1    .    2]" 1 
         99 1  12 SER H    1  13 ILE HB   . . 4.830 4.834 4.614 4.915 0.085 11 0 "[    .    1    .    2]" 1 
        100 1  12 SER QB   1  13 ILE H    . . 3.870 2.632 2.323 3.128     .  0 0 "[    .    1    .    2]" 1 
        101 1  13 ILE H    1  13 ILE HB   . . 3.140 2.435 2.286 2.697     .  0 0 "[    .    1    .    2]" 1 
        102 1  13 ILE H    1  13 ILE MD   . . 3.870 3.068 2.347 3.574     .  0 0 "[    .    1    .    2]" 1 
        103 1  13 ILE H    1  13 ILE QG   . . 3.620 2.365 2.206 2.717     .  0 0 "[    .    1    .    2]" 1 
        104 1  13 ILE H    1  13 ILE MG   . . 4.050 3.775 3.714 3.827     .  0 0 "[    .    1    .    2]" 1 
        105 1  13 ILE H    1  14 CYS H    . . 3.340 2.840 2.487 3.003     .  0 0 "[    .    1    .    2]" 1 
        106 1  13 ILE H    1  16 GLU H    . . 5.060 4.908 4.683 5.133 0.073  4 0 "[    .    1    .    2]" 1 
        107 1  13 ILE H    1  71 TRP HH2  . . 4.560 4.300 3.998 4.573 0.013 11 0 "[    .    1    .    2]" 1 
        108 1  13 ILE HA   1  13 ILE QG   . . 3.370 2.629 2.303 3.280     .  0 0 "[    .    1    .    2]" 1 
        109 1  13 ILE HA   1  13 ILE MG   . . 3.170 2.475 2.315 2.600     .  0 0 "[    .    1    .    2]" 1 
        110 1  13 ILE HA   1  16 GLU H    . . 3.610 3.389 3.027 3.661 0.051 11 0 "[    .    1    .    2]" 1 
        111 1  13 ILE HA   1  16 GLU QB   . . 3.230 2.760 2.340 3.161     .  0 0 "[    .    1    .    2]" 1 
        112 1  13 ILE HA   1  16 GLU QG   . . 4.010 3.438 2.391 4.099 0.089 20 0 "[    .    1    .    2]" 1 
        113 1  13 ILE HA   1  71 TRP HH2  . . 5.040 5.086 4.978 5.116 0.076 10 0 "[    .    1    .    2]" 1 
        114 1  13 ILE HB   1  13 ILE QG   . . 2.800 2.372 2.131 2.491     .  0 0 "[    .    1    .    2]" 1 
        115 1  13 ILE HB   1  14 CYS H    . . 3.800 2.698 2.401 2.893     .  0 0 "[    .    1    .    2]" 1 
        116 1  13 ILE HB   1  71 TRP HH2  . . 3.490 2.250 2.115 2.398     .  0 0 "[    .    1    .    2]" 1 
        117 1  13 ILE MG   1  14 CYS H    . . 4.000 3.364 3.160 3.626     .  0 0 "[    .    1    .    2]" 1 
        118 1  13 ILE MG   1  16 GLU H    . . 5.500 4.600 4.310 4.886     .  0 0 "[    .    1    .    2]" 1 
        119 1  13 ILE MG   1  16 GLU QG   . . 5.350 4.635 3.816 5.220     .  0 0 "[    .    1    .    2]" 1 
        120 1  13 ILE MG   1  17 ARG HD2  . . 4.030 3.221 2.201 4.599 0.569 20 1 "[    .    1    .    +]" 1 
        121 1  13 ILE MG   1  17 ARG HD3  . . 4.490 3.344 2.030 4.560 0.070 12 0 "[    .    1    .    2]" 1 
        122 1  13 ILE MG   1  71 TRP HE3  . . 5.450 4.294 3.878 4.668     .  0 0 "[    .    1    .    2]" 1 
        123 1  13 ILE MG   1  71 TRP HH2  . . 3.550 2.584 2.375 2.813     .  0 0 "[    .    1    .    2]" 1 
        124 1  13 ILE MG   1  71 TRP HZ2  . . 4.110 3.231 2.892 3.710     .  0 0 "[    .    1    .    2]" 1 
        125 1  13 ILE MG   1  71 TRP HZ3  . . 3.740 3.171 2.743 3.479     .  0 0 "[    .    1    .    2]" 1 
        126 1  14 CYS H    1  14 CYS HB2  . . 3.160 3.272 2.234 3.703 0.543 11 9 "[* *-.   *1+*  .*  **]" 1 
        127 1  14 CYS H    1  15 LYS H    . . 4.110 2.871 2.661 3.041     .  0 0 "[    .    1    .    2]" 1 
        128 1  14 CYS H    1  71 TRP HH2  . . 4.420 4.375 4.080 4.494 0.074 11 0 "[    .    1    .    2]" 1 
        129 1  14 CYS HA   1  16 GLU H    . . 4.630 4.299 3.937 4.581     .  0 0 "[    .    1    .    2]" 1 
        130 1  14 CYS HA   1  18 MET H    . . 4.200 3.824 3.371 4.220 0.020 10 0 "[    .    1    .    2]" 1 
        131 1  14 CYS HA   1  71 TRP HZ3  . . 4.770 4.386 3.709 4.827 0.057 11 0 "[    .    1    .    2]" 1 
        132 1  14 CYS HA   1  78 PHE QD   . . 4.810 4.676 4.459 4.876 0.066  5 0 "[    .    1    .    2]" 1 
        133 1  14 CYS HB2  1  15 LYS H    . . 4.200 3.247 2.396 3.628     .  0 0 "[    .    1    .    2]" 1 
        134 1  14 CYS HB2  1  78 PHE QD   . . 3.650 2.805 2.509 3.254     .  0 0 "[    .    1    .    2]" 1 
        135 1  14 CYS HB2  1  78 PHE QE   . . 4.970 3.512 3.118 4.147     .  0 0 "[    .    1    .    2]" 1 
        136 1  14 CYS HB3  1  78 PHE QD   . . 3.900 3.451 2.589 3.758     .  0 0 "[    .    1    .    2]" 1 
        137 1  15 LYS H    1  15 LYS QB   . . 3.370 2.374 1.970 3.104     .  0 0 "[    .    1    .    2]" 1 
        138 1  15 LYS H    1  16 GLU H    . . 3.520 2.879 2.702 3.059     .  0 0 "[    .    1    .    2]" 1 
        139 1  15 LYS H    1  78 PHE QD   . . 4.800 4.815 4.502 4.893 0.093  1 0 "[    .    1    .    2]" 1 
        140 1  15 LYS H    1  78 PHE QE   . . 4.350 4.081 3.647 4.419 0.069  1 0 "[    .    1    .    2]" 1 
        141 1  15 LYS H    1  78 PHE HZ   . . 4.910 4.390 3.767 4.940 0.030 10 0 "[    .    1    .    2]" 1 
        142 1  15 LYS HA   1  15 LYS QG   . . 3.240 2.384 2.108 3.061     .  0 0 "[    .    1    .    2]" 1 
        143 1  15 LYS HA   1  17 ARG H    . . 4.470 4.489 4.297 4.550 0.080 13 0 "[    .    1    .    2]" 1 
        144 1  15 LYS HA   1  18 MET H    . . 4.580 3.671 3.149 4.075     .  0 0 "[    .    1    .    2]" 1 
        145 1  15 LYS HA   1  78 PHE QE   . . 3.490 3.317 2.855 3.592 0.102  7 0 "[    .    1    .    2]" 1 
        146 1  15 LYS QB   1  16 GLU H    . . 3.170 2.773 2.382 3.258 0.088  9 0 "[    .    1    .    2]" 1 
        147 1  15 LYS QG   1  78 PHE QE   . . 3.690 2.853 2.327 3.647     .  0 0 "[    .    1    .    2]" 1 
        148 1  15 LYS QG   1  78 PHE HZ   . . 4.000 2.563 2.066 3.678     .  0 0 "[    .    1    .    2]" 1 
        149 1  16 GLU H    1  16 GLU QB   . . 2.850 2.309 1.943 2.649     .  0 0 "[    .    1    .    2]" 1 
        150 1  16 GLU H    1  16 GLU QG   . . 3.440 2.706 2.029 3.548 0.108  4 0 "[    .    1    .    2]" 1 
        151 1  16 GLU H    1  17 ARG H    . . 3.480 2.610 2.218 2.898     .  0 0 "[    .    1    .    2]" 1 
        152 1  16 GLU HA   1  16 GLU QG   . . 3.540 2.660 2.193 3.268     .  0 0 "[    .    1    .    2]" 1 
        153 1  16 GLU QB   1  17 ARG H    . . 3.380 2.709 2.507 2.906     .  0 0 "[    .    1    .    2]" 1 
        154 1  16 GLU QG   1  17 ARG H    . . 4.670 4.149 3.020 4.517     .  0 0 "[    .    1    .    2]" 1 
        155 1  17 ARG H    1  18 MET H    . . 3.820 2.733 2.539 2.957     .  0 0 "[    .    1    .    2]" 1 
        156 1  17 ARG H    1  19 ARG H    . . 5.450 5.023 4.637 5.490 0.040 16 0 "[    .    1    .    2]" 1 
        157 1  17 ARG HA   1  17 ARG HD3  . . 4.420 3.573 2.189 4.200     .  0 0 "[    .    1    .    2]" 1 
        158 1  17 ARG HA   1  19 ARG H    . . 4.190 3.836 3.552 4.238 0.048 14 0 "[    .    1    .    2]" 1 
        159 1  17 ARG HB2  1  17 ARG HD3  . . 4.030 3.193 2.306 3.851     .  0 0 "[    .    1    .    2]" 1 
        160 1  17 ARG HB2  1  18 MET H    . . 3.350 2.954 2.368 3.424 0.074 13 0 "[    .    1    .    2]" 1 
        161 1  18 MET H    1  19 ARG H    . . 3.730 3.499 3.165 3.778 0.048 16 0 "[    .    1    .    2]" 1 
        162 1  18 MET H    1  25 LEU QD   . . 5.200 4.767 4.460 5.001     .  0 0 "[    .    1    .    2]" 1 
        163 1  18 MET H    1  78 PHE QE   . . 5.500 4.219 3.742 4.732     .  0 0 "[    .    1    .    2]" 1 
        164 1  18 MET HA   1  18 MET ME   . . 3.890 2.542 2.028 3.686     .  0 0 "[    .    1    .    2]" 1 
        165 1  18 MET HA   1  18 MET HG2  . . 3.970 3.445 3.089 3.637     .  0 0 "[    .    1    .    2]" 1 
        166 1  18 MET HA   1  18 MET HG3  . . 4.170 2.897 2.242 3.770     .  0 0 "[    .    1    .    2]" 1 
        167 1  18 MET HA   1  20 PRO QD   . . 4.720 3.419 2.945 3.708     .  0 0 "[    .    1    .    2]" 1 
        168 1  18 MET HA   1  21 VAL H    . . 4.950 3.596 3.314 4.028     .  0 0 "[    .    1    .    2]" 1 
        169 1  18 MET HA   1  21 VAL MG2  . . 5.500 2.441 2.122 2.889     .  0 0 "[    .    1    .    2]" 1 
        170 1  18 MET HA   1  25 LEU QD   . . 4.660 3.927 3.466 4.653     .  0 0 "[    .    1    .    2]" 1 
        171 1  18 MET HA   1  78 PHE QE   . . 5.180 4.933 4.759 5.230 0.050  5 0 "[    .    1    .    2]" 1 
        172 1  18 MET HB2  1  18 MET ME   . . 4.060 3.712 2.857 4.111 0.051 16 0 "[    .    1    .    2]" 1 
        173 1  18 MET HB2  1  19 ARG H    . . 4.640 4.487 4.185 4.673 0.033  7 0 "[    .    1    .    2]" 1 
        174 1  18 MET HB2  1  25 LEU QD   . . 4.810 3.110 2.538 3.518     .  0 0 "[    .    1    .    2]" 1 
        175 1  18 MET HB2  1  78 PHE QD   . . 3.700 3.754 3.655 3.802 0.102  9 0 "[    .    1    .    2]" 1 
        176 1  18 MET HB2  1  78 PHE QE   . . 4.180 2.280 2.122 2.658     .  0 0 "[    .    1    .    2]" 1 
        177 1  18 MET HB3  1  19 ARG H    . . 4.320 4.381 4.303 4.501 0.181  5 0 "[    .    1    .    2]" 1 
        178 1  18 MET HB3  1  78 PHE QD   . . 4.750 4.486 3.768 4.832 0.082  3 0 "[    .    1    .    2]" 1 
        179 1  18 MET HB3  1  78 PHE QE   . . 3.970 2.977 2.621 3.448     .  0 0 "[    .    1    .    2]" 1 
        180 1  18 MET ME   1  21 VAL H    . . 4.870 4.625 4.021 4.964 0.094 16 0 "[    .    1    .    2]" 1 
        181 1  18 MET ME   1  51 ILE HA   . . 4.150 3.870 2.877 4.253 0.103 20 0 "[    .    1    .    2]" 1 
        182 1  18 MET ME   1  55 ILE H    . . 4.610 3.780 3.227 4.444     .  0 0 "[    .    1    .    2]" 1 
        183 1  18 MET ME   1  55 ILE MD   . . 3.620 2.724 2.261 3.157     .  0 0 "[    .    1    .    2]" 1 
        184 1  18 MET ME   1  55 ILE HG12 . . 2.940 2.277 1.986 2.742     .  0 0 "[    .    1    .    2]" 1 
        185 1  18 MET ME   1  78 PHE QD   . . 3.870 3.909 3.459 4.000 0.130 20 0 "[    .    1    .    2]" 1 
        186 1  18 MET HG2  1  78 PHE QD   . . 5.000 2.946 2.254 3.852     .  0 0 "[    .    1    .    2]" 1 
        187 1  18 MET HG2  1  78 PHE QE   . . 4.320 2.703 2.134 3.943     .  0 0 "[    .    1    .    2]" 1 
        188 1  18 MET HG3  1  78 PHE QD   . . 4.410 3.471 2.059 4.965 0.555  7 1 "[    . +  1    .    2]" 1 
        189 1  18 MET HG3  1  78 PHE QE   . . 4.590 3.322 2.109 4.273     .  0 0 "[    .    1    .    2]" 1 
        190 1  19 ARG H    1  19 ARG HB2  . . 3.120 2.317 2.138 2.491     .  0 0 "[    .    1    .    2]" 1 
        191 1  19 ARG H    1  20 PRO HB2  . . 5.500 5.578 5.559 5.590 0.090  3 0 "[    .    1    .    2]" 1 
        192 1  19 ARG H    1  20 PRO HB3  . . 5.210 5.288 5.265 5.298 0.088 20 0 "[    .    1    .    2]" 1 
        193 1  19 ARG H    1  20 PRO QD   . . 3.980 1.706 1.673 1.771     .  0 0 "[    .    1    .    2]" 1 
        194 1  19 ARG HA   1  21 VAL H    . . 4.580 4.434 3.947 4.659 0.079 15 0 "[    .    1    .    2]" 1 
        195 1  19 ARG HB2  1  20 PRO QD   . . 3.280 2.291 2.104 2.582     .  0 0 "[    .    1    .    2]" 1 
        196 1  20 PRO HA   1  22 LYS H    . . 5.110 4.018 3.762 4.366     .  0 0 "[    .    1    .    2]" 1 
        197 1  20 PRO HB2  1  21 VAL H    . . 3.660 3.371 2.997 3.732 0.072 20 0 "[    .    1    .    2]" 1 
        198 1  20 PRO HB3  1  21 VAL H    . . 4.600 4.224 3.996 4.504     .  0 0 "[    .    1    .    2]" 1 
        199 1  20 PRO QD   1  21 VAL H    . . 4.580 3.081 2.785 3.405     .  0 0 "[    .    1    .    2]" 1 
        200 1  21 VAL H    1  21 VAL MG1  . . 3.240 2.726 2.367 3.332 0.092 20 0 "[    .    1    .    2]" 1 
        201 1  21 VAL H    1  21 VAL MG2  . . 3.650 1.969 1.833 2.165     .  0 0 "[    .    1    .    2]" 1 
        202 1  21 VAL H    1  22 LYS H    . . 3.170 2.800 2.429 3.027     .  0 0 "[    .    1    .    2]" 1 
        203 1  21 VAL HA   1  21 VAL HB   . . 2.920 2.523 2.400 2.632     .  0 0 "[    .    1    .    2]" 1 
        204 1  21 VAL HA   1  21 VAL MG1  . . 3.540 2.246 2.128 2.331     .  0 0 "[    .    1    .    2]" 1 
        205 1  21 VAL HA   1  22 LYS H    . . 3.520 3.154 2.914 3.311     .  0 0 "[    .    1    .    2]" 1 
        206 1  21 VAL HA   1  23 ALA H    . . 4.330 3.897 3.570 4.295     .  0 0 "[    .    1    .    2]" 1 
        207 1  21 VAL HA   1  23 ALA MB   . . 4.660 4.402 4.155 4.769 0.109 17 0 "[    .    1    .    2]" 1 
        208 1  21 VAL HA   1  24 ALA H    . . 4.060 3.257 2.918 3.525     .  0 0 "[    .    1    .    2]" 1 
        209 1  21 VAL HA   1  24 ALA MB   . . 3.900 3.067 2.555 3.333     .  0 0 "[    .    1    .    2]" 1 
        210 1  21 VAL HA   1  25 LEU H    . . 4.900 4.383 4.041 4.654     .  0 0 "[    .    1    .    2]" 1 
        211 1  21 VAL HB   1  22 LYS H    . . 4.500 4.498 4.414 4.561 0.061  6 0 "[    .    1    .    2]" 1 
        212 1  21 VAL HB   1  22 LYS HA   . . 4.940 4.964 4.838 5.022 0.082  9 0 "[    .    1    .    2]" 1 
        213 1  21 VAL HB   1  24 ALA H    . . 4.370 4.023 3.795 4.360     .  0 0 "[    .    1    .    2]" 1 
        214 1  21 VAL HB   1  24 ALA MB   . . 3.350 2.403 2.050 2.854     .  0 0 "[    .    1    .    2]" 1 
        215 1  21 VAL HB   1  25 LEU H    . . 5.020 3.594 3.251 3.840     .  0 0 "[    .    1    .    2]" 1 
        216 1  21 VAL HB   1  51 ILE H    . . 4.570 4.573 4.428 4.646 0.076 14 0 "[    .    1    .    2]" 1 
        217 1  21 VAL HB   1  51 ILE HA   . . 4.020 3.085 2.809 3.374     .  0 0 "[    .    1    .    2]" 1 
        218 1  21 VAL HB   1  51 ILE MD   . . 4.370 4.006 3.649 4.356     .  0 0 "[    .    1    .    2]" 1 
        219 1  21 VAL MG1  1  22 LYS H    . . 4.410 4.461 4.415 4.504 0.094  7 0 "[    .    1    .    2]" 1 
        220 1  21 VAL MG1  1  51 ILE H    . . 3.890 3.719 3.263 3.948 0.058 13 0 "[    .    1    .    2]" 1 
        221 1  21 VAL MG1  1  51 ILE HA   . . 3.200 2.272 2.080 2.401     .  0 0 "[    .    1    .    2]" 1 
        222 1  21 VAL MG1  1  52 GLY H    . . 5.070 5.120 4.988 5.164 0.094  7 0 "[    .    1    .    2]" 1 
        223 1  21 VAL MG1  1  53 ASP H    . . 5.460 5.167 4.897 5.373     .  0 0 "[    .    1    .    2]" 1 
        224 1  21 VAL MG1  1  54 HIS H    . . 3.870 3.652 3.357 3.959 0.089 20 0 "[    .    1    .    2]" 1 
        225 1  21 VAL MG1  1  54 HIS HB2  . . 3.250 2.430 2.119 3.249     .  0 0 "[    .    1    .    2]" 1 
        226 1  21 VAL MG1  1  54 HIS HB3  . . 4.300 3.238 2.430 4.354 0.054 20 0 "[    .    1    .    2]" 1 
        227 1  21 VAL MG2  1  22 LYS H    . . 3.840 3.632 3.414 3.892 0.052 18 0 "[    .    1    .    2]" 1 
        228 1  21 VAL MG2  1  24 ALA MB   . . 4.420 3.811 3.423 4.198     .  0 0 "[    .    1    .    2]" 1 
        229 1  21 VAL MG2  1  51 ILE H    . . 5.500 4.941 4.601 5.211     .  0 0 "[    .    1    .    2]" 1 
        230 1  21 VAL MG2  1  51 ILE HA   . . 3.630 2.609 2.266 2.937     .  0 0 "[    .    1    .    2]" 1 
        231 1  21 VAL MG2  1  54 HIS H    . . 4.700 4.687 4.142 4.785 0.085 18 0 "[    .    1    .    2]" 1 
        232 1  21 VAL MG2  1  54 HIS HB2  . . 3.550 2.993 2.470 3.625 0.075  1 0 "[    .    1    .    2]" 1 
        233 1  21 VAL MG2  1  54 HIS HB3  . . 3.520 3.212 2.707 3.618 0.098  9 0 "[    .    1    .    2]" 1 
        234 1  22 LYS H    1  22 LYS QB   . . 3.250 2.195 2.049 2.469     .  0 0 "[    .    1    .    2]" 1 
        235 1  22 LYS H    1  22 LYS QG   . . 3.770 3.245 2.113 3.873 0.103  6 0 "[    .    1    .    2]" 1 
        236 1  22 LYS H    1  23 ALA H    . . 4.320 2.968 2.576 3.166     .  0 0 "[    .    1    .    2]" 1 
        237 1  22 LYS HA   1  22 LYS QG   . . 3.780 2.259 2.140 2.519     .  0 0 "[    .    1    .    2]" 1 
        238 1  22 LYS HA   1  23 ALA MB   . . 5.500 5.079 5.033 5.125     .  0 0 "[    .    1    .    2]" 1 
        239 1  22 LYS HA   1  24 ALA H    . . 4.440 4.474 4.251 4.519 0.079  1 0 "[    .    1    .    2]" 1 
        240 1  22 LYS HA   1  25 LEU H    . . 3.670 3.520 3.202 3.739 0.069 17 0 "[    .    1    .    2]" 1 
        241 1  22 LYS HA   1  25 LEU QD   . . 3.300 2.437 2.121 2.995     .  0 0 "[    .    1    .    2]" 1 
        242 1  22 LYS QG   1  25 LEU QD   . . 3.200 2.942 2.430 3.334 0.134  2 0 "[    .    1    .    2]" 1 
        243 1  23 ALA H    1  23 ALA MB   . . 3.330 2.277 2.233 2.364     .  0 0 "[    .    1    .    2]" 1 
        244 1  23 ALA H    1  24 ALA H    . . 3.750 2.756 2.551 2.933     .  0 0 "[    .    1    .    2]" 1 
        245 1  23 ALA H    1  25 LEU H    . . 5.500 4.317 4.060 4.620     .  0 0 "[    .    1    .    2]" 1 
        246 1  23 ALA HA   1  27 GLN H    . . 4.700 4.019 3.825 4.171     .  0 0 "[    .    1    .    2]" 1 
        247 1  23 ALA MB   1  24 ALA H    . . 3.410 2.524 2.265 2.808     .  0 0 "[    .    1    .    2]" 1 
        248 1  23 ALA MB   1  27 GLN H    . . 4.410 4.451 4.274 4.516 0.106 13 0 "[    .    1    .    2]" 1 
        249 1  23 ALA MB   1  27 GLN HE21 . . 5.340 3.807 2.671 4.238     .  0 0 "[    .    1    .    2]" 1 
        250 1  23 ALA MB   1  27 GLN HE22 . . 5.370 5.030 2.788 5.465 0.095  9 0 "[    .    1    .    2]" 1 
        251 1  23 ALA MB   1  27 GLN HG3  . . 5.410 3.742 2.848 5.504 0.094 18 0 "[    .    1    .    2]" 1 
        252 1  24 ALA H    1  24 ALA MB   . . 2.950 2.239 2.182 2.284     .  0 0 "[    .    1    .    2]" 1 
        253 1  24 ALA H    1  25 LEU H    . . 3.290 2.730 2.604 2.838     .  0 0 "[    .    1    .    2]" 1 
        254 1  24 ALA H    1  25 LEU HA   . . 5.320 5.343 5.256 5.400 0.080 18 0 "[    .    1    .    2]" 1 
        255 1  24 ALA H    1  26 LYS H    . . 5.080 4.256 3.977 4.531     .  0 0 "[    .    1    .    2]" 1 
        256 1  24 ALA HA   1  27 GLN QB   . . 3.250 2.475 2.137 2.928     .  0 0 "[    .    1    .    2]" 1 
        257 1  24 ALA MB   1  25 LEU H    . . 3.260 2.521 2.284 2.727     .  0 0 "[    .    1    .    2]" 1 
        258 1  24 ALA MB   1  25 LEU HA   . . 4.080 3.935 3.803 4.062     .  0 0 "[    .    1    .    2]" 1 
        259 1  24 ALA MB   1  27 GLN H    . . 5.080 4.619 4.473 4.850     .  0 0 "[    .    1    .    2]" 1 
        260 1  24 ALA MB   1  27 GLN QB   . . 4.900 3.892 3.650 4.258     .  0 0 "[    .    1    .    2]" 1 
        261 1  24 ALA MB   1  47 CYS HA   . . 3.650 2.507 2.137 2.891     .  0 0 "[    .    1    .    2]" 1 
        262 1  24 ALA MB   1  47 CYS QB   . . 4.060 2.639 2.082 3.776     .  0 0 "[    .    1    .    2]" 1 
        263 1  24 ALA MB   1  51 ILE H    . . 4.790 3.669 3.359 3.903     .  0 0 "[    .    1    .    2]" 1 
        264 1  24 ALA MB   1  51 ILE HA   . . 4.090 4.106 3.913 4.184 0.094 11 0 "[    .    1    .    2]" 1 
        265 1  24 ALA MB   1  51 ILE MD   . . 3.700 2.332 2.081 2.864     .  0 0 "[    .    1    .    2]" 1 
        266 1  25 LEU H    1  25 LEU HB2  . . 3.420 2.758 2.084 3.486 0.066  8 0 "[    .    1    .    2]" 1 
        267 1  25 LEU H    1  25 LEU HB3  . . 3.820 2.775 2.123 3.695     .  0 0 "[    .    1    .    2]" 1 
        268 1  25 LEU H    1  25 LEU QD   . . 3.470 3.297 2.247 3.600 0.130 15 0 "[    .    1    .    2]" 1 
        269 1  25 LEU H    1  27 GLN H    . . 4.850 4.184 4.094 4.313     .  0 0 "[    .    1    .    2]" 1 
        270 1  25 LEU H    1  27 GLN QB   . . 5.500 4.920 4.350 5.127     .  0 0 "[    .    1    .    2]" 1 
        271 1  25 LEU HA   1  25 LEU QD   . . 3.120 2.634 2.100 3.240 0.120 19 0 "[    .    1    .    2]" 1 
        272 1  25 LEU HA   1  27 GLN H    . . 5.090 4.498 4.114 4.781     .  0 0 "[    .    1    .    2]" 1 
        273 1  25 LEU HA   1  28 LEU H    . . 4.210 3.650 3.229 4.129     .  0 0 "[    .    1    .    2]" 1 
        274 1  25 LEU HA   1  51 ILE MD   . . 3.500 2.518 1.954 3.113     .  0 0 "[    .    1    .    2]" 1 
        275 1  25 LEU HB2  1  26 LYS H    . . 4.200 3.462 2.339 4.260 0.060 16 0 "[    .    1    .    2]" 1 
        276 1  25 LEU HB3  1  25 LEU QD   . . 3.170 2.146 2.079 2.191     .  0 0 "[    .    1    .    2]" 1 
        277 1  25 LEU HB3  1  26 LYS H    . . 3.680 3.186 2.303 3.757 0.077 19 0 "[    .    1    .    2]" 1 
        278 1  25 LEU QD   1  26 LYS H    . . 4.690 3.568 3.019 4.113     .  0 0 "[    .    1    .    2]" 1 
        279 1  25 LEU QD   1  78 PHE QD   . . 3.740 3.393 3.115 3.796 0.056  1 0 "[    .    1    .    2]" 1 
        280 1  25 LEU QD   1  78 PHE QE   . . 3.380 2.555 2.267 2.887     .  0 0 "[    .    1    .    2]" 1 
        281 1  25 LEU QD   1  78 PHE HZ   . . 3.890 3.647 3.030 3.986 0.096 10 0 "[    .    1    .    2]" 1 
        282 1  25 LEU QD   1  79 VAL HA   . . 3.270 2.556 2.008 3.033     .  0 0 "[    .    1    .    2]" 1 
        283 1  25 LEU QD   1  79 VAL HB   . . 4.780 4.339 4.042 4.874 0.094  1 0 "[    .    1    .    2]" 1 
        284 1  25 LEU QD   1  79 VAL MG2  . . 3.040 2.308 2.000 2.673     .  0 0 "[    .    1    .    2]" 1 
        285 1  25 LEU QD   1  82 PHE H    . . 4.360 4.033 3.577 4.475 0.115  2 0 "[    .    1    .    2]" 1 
        286 1  25 LEU QD   1  82 PHE HB2  . . 4.500 2.495 2.048 3.064     .  0 0 "[    .    1    .    2]" 1 
        287 1  25 LEU QD   1  82 PHE QD   . . 3.500 2.873 2.437 3.629 0.129 12 0 "[    .    1    .    2]" 1 
        288 1  26 LYS H    1  26 LYS HB2  . . 3.510 2.404 2.129 2.726     .  0 0 "[    .    1    .    2]" 1 
        289 1  26 LYS H    1  26 LYS HB3  . . 3.390 3.024 2.350 3.593 0.203 12 0 "[    .    1    .    2]" 1 
        290 1  26 LYS H    1  27 GLN H    . . 3.180 2.708 2.539 2.851     .  0 0 "[    .    1    .    2]" 1 
        291 1  26 LYS H    1  27 GLN QB   . . 4.770 4.604 3.922 4.805 0.035 19 0 "[    .    1    .    2]" 1 
        292 1  26 LYS H    1  29 ASP H    . . 5.500 5.161 4.699 5.564 0.064 20 0 "[    .    1    .    2]" 1 
        293 1  26 LYS HA   1  27 GLN H    . . 3.490 3.550 3.482 3.572 0.082  6 0 "[    .    1    .    2]" 1 
        294 1  26 LYS HA   1  29 ASP HB3  . . 5.470 2.930 2.137 3.673     .  0 0 "[    .    1    .    2]" 1 
        295 1  26 LYS HA   1  82 PHE QE   . . 5.050 5.019 3.701 5.145 0.095  1 0 "[    .    1    .    2]" 1 
        296 1  26 LYS HB3  1  27 GLN H    . . 3.200 3.166 2.584 3.706 0.506 12 1 "[    .    1 +  .    2]" 1 
        297 1  27 GLN H    1  27 GLN QB   . . 2.780 2.333 1.756 2.516     .  0 0 "[    .    1    .    2]" 1 
        298 1  27 GLN H    1  27 GLN HG2  . . 3.870 2.942 2.347 3.953 0.083 18 0 "[    .    1    .    2]" 1 
        299 1  27 GLN H    1  27 GLN HG3  . . 3.630 3.270 2.469 3.732 0.102 18 0 "[    .    1    .    2]" 1 
        300 1  27 GLN H    1  28 LEU QD   . . 5.500 4.310 3.848 4.714     .  0 0 "[    .    1    .    2]" 1 
        301 1  27 GLN H    1  29 ASP H    . . 5.270 4.215 3.895 4.512     .  0 0 "[    .    1    .    2]" 1 
        302 1  27 GLN HA   1  27 GLN HG3  . . 3.530 3.466 2.421 3.869 0.339 14 0 "[    .    1    .    2]" 1 
        303 1  27 GLN HA   1  29 ASP H    . . 5.500 4.006 3.356 4.603     .  0 0 "[    .    1    .    2]" 1 
        304 1  27 GLN HA   1  30 ARG H    . . 4.240 3.659 2.861 4.293 0.053 12 0 "[    .    1    .    2]" 1 
        305 1  27 GLN QB   1  27 GLN HE22 . . 4.990 4.122 3.420 4.444     .  0 0 "[    .    1    .    2]" 1 
        306 1  27 GLN QB   1  28 LEU H    . . 3.870 3.011 2.558 3.464     .  0 0 "[    .    1    .    2]" 1 
        307 1  27 GLN QB   1  28 LEU QD   . . 2.980 2.941 2.579 3.074 0.094 16 0 "[    .    1    .    2]" 1 
        308 1  28 LEU H    1  28 LEU HA   . . 2.870 2.913 2.842 2.946 0.076 11 0 "[    .    1    .    2]" 1 
        309 1  28 LEU H    1  28 LEU HB2  . . 2.860 2.189 2.072 2.455     .  0 0 "[    .    1    .    2]" 1 
        310 1  28 LEU H    1  28 LEU HB3  . . 3.450 3.414 3.291 3.517 0.067 11 0 "[    .    1    .    2]" 1 
        311 1  28 LEU H    1  28 LEU QD   . . 3.250 2.783 2.490 3.085     .  0 0 "[    .    1    .    2]" 1 
        312 1  28 LEU H    1  29 ASP H    . . 3.810 2.477 1.901 2.831     .  0 0 "[    .    1    .    2]" 1 
        313 1  28 LEU H    1  29 ASP HA   . . 5.400 5.135 4.621 5.440 0.040  2 0 "[    .    1    .    2]" 1 
        314 1  28 LEU H    1  29 ASP HB2  . . 5.450 5.031 4.038 6.269 0.819  5 1 "[    +    1    .    2]" 1 
        315 1  28 LEU HA   1  28 LEU QD   . . 2.920 2.124 1.926 2.459     .  0 0 "[    .    1    .    2]" 1 
        316 1  28 LEU HB2  1  29 ASP H    . . 4.280 3.501 2.997 3.945     .  0 0 "[    .    1    .    2]" 1 
        317 1  28 LEU HB2  1  51 ILE MD   . . 3.510 3.286 2.768 3.620 0.110 11 0 "[    .    1    .    2]" 1 
        318 1  28 LEU HB3  1  29 ASP HA   . . 4.790 4.480 3.989 4.851 0.061 13 0 "[    .    1    .    2]" 1 
        319 1  28 LEU QD   1  29 ASP H    . . 5.500 4.181 4.095 4.383     .  0 0 "[    .    1    .    2]" 1 
        320 1  28 LEU QD   1  44 THR HA   . . 4.310 3.152 2.402 3.959     .  0 0 "[    .    1    .    2]" 1 
        321 1  28 LEU QD   1  44 THR MG   . . 3.560 2.626 1.968 3.585 0.025 16 0 "[    .    1    .    2]" 1 
        322 1  28 LEU QD   1  47 CYS QB   . . 4.280 2.174 1.923 2.726     .  0 0 "[    .    1    .    2]" 1 
        323 1  29 ASP H    1  29 ASP HB2  . . 3.210 2.928 2.182 3.522 0.312  7 0 "[    .    1    .    2]" 1 
        324 1  29 ASP H    1  29 ASP HB3  . . 3.450 2.414 2.119 2.718     .  0 0 "[    .    1    .    2]" 1 
        325 1  29 ASP H    1  30 ARG H    . . 3.400 2.452 1.805 2.993     .  0 0 "[    .    1    .    2]" 1 
        326 1  29 ASP HA   1  30 ARG H    . . 3.570 3.561 3.461 3.633 0.063  4 0 "[    .    1    .    2]" 1 
        327 1  29 ASP HB2  1  30 ARG H    . . 3.800 3.825 3.559 4.084 0.284  7 0 "[    .    1    .    2]" 1 
        328 1  29 ASP HB2  1  83 THR HA   . . 4.420 3.512 2.272 4.486 0.066 11 0 "[    .    1    .    2]" 1 
        329 1  29 ASP HB3  1  30 ARG H    . . 4.000 2.637 2.127 3.721     .  0 0 "[    .    1    .    2]" 1 
        330 1  30 ARG H    1  30 ARG QB   . . 2.890 2.700 2.426 2.991 0.101  4 0 "[    .    1    .    2]" 1 
        331 1  30 ARG H    1  31 PRO QD   . . 4.330 3.523 3.062 4.366 0.036  3 0 "[    .    1    .    2]" 1 
        332 1  31 PRO HA   1  32 GLU H    . . 2.650 2.417 2.204 2.718 0.068 13 0 "[    .    1    .    2]" 1 
        333 1  31 PRO HB2  1  32 GLU H    . . 3.170 2.686 1.978 3.062     .  0 0 "[    .    1    .    2]" 1 
        334 1  31 PRO QD   1  32 GLU H    . . 5.330 4.910 4.624 5.005     .  0 0 "[    .    1    .    2]" 1 
        335 1  32 GLU H    1  32 GLU HB3  . . 2.980 2.761 2.193 3.315 0.335 10 0 "[    .    1    .    2]" 1 
        336 1  32 GLU H    1  40 GLN HE22 . . 5.210 3.936 1.790 5.286 0.076 17 0 "[    .    1    .    2]" 1 
        337 1  32 GLU HA   1  33 LYS H    . . 3.160 2.746 2.247 3.254 0.094 11 0 "[    .    1    .    2]" 1 
        338 1  32 GLU QG   1  33 LYS H    . . 4.070 2.744 1.763 3.827     .  0 0 "[    .    1    .    2]" 1 
        339 1  32 GLU QG   1  34 GLY H    . . 3.420 2.391 1.736 3.450 0.030 10 0 "[    .    1    .    2]" 1 
        340 1  32 GLU QG   1  34 GLY HA2  . . 5.500 4.676 3.704 5.874 0.374 10 0 "[    .    1    .    2]" 1 
        341 1  32 GLU QG   1  35 LEU H    . . 4.550 4.258 3.492 4.652 0.102 11 0 "[    .    1    .    2]" 1 
        342 1  32 GLU QG   1  35 LEU QD   . . 3.650 2.921 2.059 3.802 0.152 12 0 "[    .    1    .    2]" 1 
        343 1  33 LYS H    1  33 LYS HA   . . 2.830 2.713 2.221 2.922 0.092 16 0 "[    .    1    .    2]" 1 
        344 1  33 LYS H    1  33 LYS QB   . . 3.000 2.873 2.487 3.096 0.096 14 0 "[    .    1    .    2]" 1 
        345 1  33 LYS H    1  33 LYS HG3  . . 3.840 3.716 2.305 4.840 1.000 15 4 "[-*  .    1    +  * 2]" 1 
        346 1  33 LYS H    1  34 GLY H    . . 5.460 2.381 1.675 3.116     .  0 0 "[    .    1    .    2]" 1 
        347 1  33 LYS H    1  34 GLY HA3  . . 5.260 4.383 3.777 5.331 0.071 12 0 "[    .    1    .    2]" 1 
        348 1  33 LYS H    1  35 LEU H    . . 5.500 4.668 3.991 5.267     .  0 0 "[    .    1    .    2]" 1 
        349 1  33 LYS H    1  35 LEU QD   . . 5.500 4.594 3.460 5.453     .  0 0 "[    .    1    .    2]" 1 
        350 1  33 LYS HA   1  34 GLY H    . . 3.130 3.025 2.446 3.215 0.085 18 0 "[    .    1    .    2]" 1 
        351 1  33 LYS HA   1  35 LEU H    . . 4.380 3.615 3.066 3.933     .  0 0 "[    .    1    .    2]" 1 
        352 1  33 LYS HA   1  40 GLN HE21 . . 5.220 4.230 3.139 5.287 0.067  2 0 "[    .    1    .    2]" 1 
        353 1  33 LYS HA   1  40 GLN HE22 . . 5.340 3.794 2.141 5.420 0.080 18 0 "[    .    1    .    2]" 1 
        354 1  33 LYS QB   1  34 GLY H    . . 4.670 3.887 3.401 4.109     .  0 0 "[    .    1    .    2]" 1 
        355 1  34 GLY H    1  35 LEU H    . . 3.590 2.796 1.985 3.535     .  0 0 "[    .    1    .    2]" 1 
        356 1  34 GLY H    1  35 LEU HB2  . . 5.500 4.509 3.505 5.465     .  0 0 "[    .    1    .    2]" 1 
        357 1  34 GLY HA2  1  35 LEU H    . . 3.370 3.172 2.652 3.585 0.215  3 0 "[    .    1    .    2]" 1 
        358 1  35 LEU H    1  35 LEU HB2  . . 2.900 2.538 2.339 2.876     .  0 0 "[    .    1    .    2]" 1 
        359 1  35 LEU H    1  35 LEU HB3  . . 3.970 3.634 3.376 3.845     .  0 0 "[    .    1    .    2]" 1 
        360 1  35 LEU H    1  35 LEU QD   . . 3.720 2.992 2.014 3.627     .  0 0 "[    .    1    .    2]" 1 
        361 1  35 LEU H    1  36 SER H    . . 4.140 3.874 2.838 4.239 0.099 12 0 "[    .    1    .    2]" 1 
        362 1  35 LEU H    1  40 GLN HG2  . . 5.500 4.093 3.225 5.555 0.055 12 0 "[    .    1    .    2]" 1 
        363 1  35 LEU HA   1  35 LEU QD   . . 2.980 2.499 2.075 3.079 0.099  3 0 "[    .    1    .    2]" 1 
        364 1  35 LEU HA   1  35 LEU HG   . . 3.480 2.812 2.352 3.496 0.016 12 0 "[    .    1    .    2]" 1 
        365 1  35 LEU HB2  1  36 SER H    . . 3.390 2.879 1.953 3.482 0.092  9 0 "[    .    1    .    2]" 1 
        366 1  35 LEU HB2  1  39 GLU QG   . . 4.800 4.360 2.597 4.880 0.080 15 0 "[    .    1    .    2]" 1 
        367 1  35 LEU HB2  1  40 GLN HE21 . . 5.500 2.634 1.784 3.382     .  0 0 "[    .    1    .    2]" 1 
        368 1  35 LEU HB2  1  40 GLN HE22 . . 5.500 3.967 2.986 4.757     .  0 0 "[    .    1    .    2]" 1 
        369 1  35 LEU HB2  1  40 GLN HG2  . . 4.070 3.006 2.217 4.131 0.061 16 0 "[    .    1    .    2]" 1 
        370 1  35 LEU HB3  1  36 SER H    . . 3.660 2.184 1.926 2.841     .  0 0 "[    .    1    .    2]" 1 
        371 1  35 LEU HB3  1  40 GLN HE21 . . 5.270 3.975 3.185 4.999     .  0 0 "[    .    1    .    2]" 1 
        372 1  35 LEU QD   1  36 SER H    . . 3.770 3.532 3.243 3.802 0.032 18 0 "[    .    1    .    2]" 1 
        373 1  35 LEU QD   1  39 GLU H    . . 5.430 5.126 4.673 5.535 0.105 19 0 "[    .    1    .    2]" 1 
        374 1  35 LEU QD   1  39 GLU QB   . . 3.730 2.525 2.110 3.811 0.081 19 0 "[    .    1    .    2]" 1 
        375 1  35 LEU QD   1  39 GLU QG   . . 3.740 3.592 2.918 3.875 0.135 11 0 "[    .    1    .    2]" 1 
        376 1  35 LEU QD   1  40 GLN H    . . 4.620 4.245 3.695 4.605     .  0 0 "[    .    1    .    2]" 1 
        377 1  35 LEU QD   1  40 GLN HE21 . . 5.500 2.459 1.703 4.272     .  0 0 "[    .    1    .    2]" 1 
        378 1  35 LEU QD   1  43 HIS H    . . 5.100 4.735 3.930 5.130 0.030 19 0 "[    .    1    .    2]" 1 
        379 1  35 LEU QD   1  43 HIS HB3  . . 5.040 3.967 2.911 4.825     .  0 0 "[    .    1    .    2]" 1 
        380 1  36 SER H    1  36 SER HA   . . 2.760 2.833 2.735 2.860 0.100 18 0 "[    .    1    .    2]" 1 
        381 1  36 SER H    1  36 SER QB   . . 3.310 2.593 2.090 2.986     .  0 0 "[    .    1    .    2]" 1 
        382 1  36 SER H    1  37 GLU H    . . 5.040 4.465 4.151 4.656     .  0 0 "[    .    1    .    2]" 1 
        383 1  36 SER H    1  39 GLU H    . . 4.650 4.079 3.573 4.696 0.046 11 0 "[    .    1    .    2]" 1 
        384 1  36 SER H    1  39 GLU QB   . . 4.170 2.526 2.042 4.247 0.077 19 0 "[    .    1    .    2]" 1 
        385 1  36 SER H    1  39 GLU QG   . . 3.590 2.829 2.131 3.680 0.090  8 0 "[    .    1    .    2]" 1 
        386 1  36 SER HA   1  37 GLU H    . . 3.180 2.540 2.361 2.853     .  0 0 "[    .    1    .    2]" 1 
        387 1  36 SER HA   1  37 GLU HA   . . 4.680 4.349 4.134 4.633     .  0 0 "[    .    1    .    2]" 1 
        388 1  36 SER HA   1  38 ARG H    . . 5.110 4.714 4.283 5.044     .  0 0 "[    .    1    .    2]" 1 
        389 1  36 SER HA   1  39 GLU H    . . 5.100 4.739 4.273 5.028     .  0 0 "[    .    1    .    2]" 1 
        390 1  36 SER HA   1  40 GLN HG2  . . 5.280 5.102 4.573 5.359 0.079 10 0 "[    .    1    .    2]" 1 
        391 1  36 SER QB   1  37 GLU H    . . 3.650 2.689 2.151 3.192     .  0 0 "[    .    1    .    2]" 1 
        392 1  36 SER QB   1  38 ARG H    . . 3.910 3.243 2.723 3.837     .  0 0 "[    .    1    .    2]" 1 
        393 1  36 SER QB   1  39 GLU QG   . . 2.960 2.071 1.926 2.955     .  0 0 "[    .    1    .    2]" 1 
        394 1  37 GLU H    1  37 GLU HB2  . . 3.800 2.563 2.102 3.564     .  0 0 "[    .    1    .    2]" 1 
        395 1  37 GLU H    1  37 GLU HB3  . . 3.390 3.190 2.454 3.661 0.271  7 0 "[    .    1    .    2]" 1 
        396 1  37 GLU H    1  37 GLU HG2  . . 4.270 3.468 1.877 4.513 0.243 14 0 "[    .    1    .    2]" 1 
        397 1  37 GLU H    1  37 GLU HG3  . . 5.370 3.232 2.281 4.539     .  0 0 "[    .    1    .    2]" 1 
        398 1  37 GLU H    1  38 ARG H    . . 4.040 2.717 1.869 3.197     .  0 0 "[    .    1    .    2]" 1 
        399 1  37 GLU H    1  39 GLU H    . . 5.500 3.963 3.610 4.294     .  0 0 "[    .    1    .    2]" 1 
        400 1  37 GLU H    1  39 GLU QG   . . 4.690 4.732 4.253 4.792 0.102  7 0 "[    .    1    .    2]" 1 
        401 1  37 GLU HA   1  37 GLU HG2  . . 4.170 2.895 2.172 3.779     .  0 0 "[    .    1    .    2]" 1 
        402 1  37 GLU HB2  1  38 ARG H    . . 3.540 2.964 2.341 3.924 0.384 19 0 "[    .    1    .    2]" 1 
        403 1  37 GLU HG2  1  38 ARG H    . . 4.990 4.438 2.157 5.259 0.269 18 0 "[    .    1    .    2]" 1 
        404 1  38 ARG H    1  38 ARG HB2  . . 2.690 2.415 2.105 2.744 0.054  2 0 "[    .    1    .    2]" 1 
        405 1  38 ARG H    1  38 ARG HB3  . . 3.290 2.708 2.356 3.294 0.004  6 0 "[    .    1    .    2]" 1 
        406 1  38 ARG H    1  38 ARG QD   . . 5.070 4.502 3.687 4.925     .  0 0 "[    .    1    .    2]" 1 
        407 1  38 ARG H    1  38 ARG QG   . . 4.430 3.968 3.661 4.094     .  0 0 "[    .    1    .    2]" 1 
        408 1  38 ARG H    1  39 GLU H    . . 3.640 2.518 2.221 2.770     .  0 0 "[    .    1    .    2]" 1 
        409 1  38 ARG H    1  39 GLU QG   . . 4.040 4.035 3.656 4.129 0.089  1 0 "[    .    1    .    2]" 1 
        410 1  38 ARG H    1  40 GLN H    . . 4.540 4.215 3.816 4.503     .  0 0 "[    .    1    .    2]" 1 
        411 1  38 ARG HB2  1  38 ARG QD   . . 3.630 2.601 2.182 3.508     .  0 0 "[    .    1    .    2]" 1 
        412 1  38 ARG HB2  1  39 GLU H    . . 4.070 3.869 3.399 4.132 0.062 18 0 "[    .    1    .    2]" 1 
        413 1  38 ARG HB3  1  39 GLU H    . . 3.780 2.900 2.521 3.338     .  0 0 "[    .    1    .    2]" 1 
        414 1  38 ARG HB3  1  40 GLN H    . . 5.160 5.221 5.147 5.247 0.087 15 0 "[    .    1    .    2]" 1 
        415 1  39 GLU H    1  39 GLU QB   . . 3.080 2.418 2.232 2.599     .  0 0 "[    .    1    .    2]" 1 
        416 1  39 GLU H    1  39 GLU QG   . . 2.920 2.272 1.933 2.571     .  0 0 "[    .    1    .    2]" 1 
        417 1  39 GLU H    1  40 GLN H    . . 3.210 2.653 2.296 2.922     .  0 0 "[    .    1    .    2]" 1 
        418 1  39 GLU H    1  41 LEU H    . . 4.900 4.197 3.767 4.720     .  0 0 "[    .    1    .    2]" 1 
        419 1  39 GLU HA   1  42 GLU H    . . 3.710 3.488 2.864 3.782 0.072  7 0 "[    .    1    .    2]" 1 
        420 1  39 GLU QB   1  40 GLN H    . . 3.740 2.633 2.286 3.484     .  0 0 "[    .    1    .    2]" 1 
        421 1  40 GLN H    1  40 GLN QB   . . 2.920 2.360 2.184 2.740     .  0 0 "[    .    1    .    2]" 1 
        422 1  40 GLN H    1  40 GLN HE21 . . 5.080 4.042 2.642 4.443     .  0 0 "[    .    1    .    2]" 1 
        423 1  40 GLN H    1  40 GLN HE22 . . 5.500 5.415 4.268 5.589 0.089 20 0 "[    .    1    .    2]" 1 
        424 1  40 GLN H    1  40 GLN HG2  . . 3.540 2.464 1.912 2.718     .  0 0 "[    .    1    .    2]" 1 
        425 1  40 GLN H    1  40 GLN HG3  . . 3.750 3.564 2.886 3.811 0.061 10 0 "[    .    1    .    2]" 1 
        426 1  40 GLN H    1  41 LEU H    . . 3.320 2.764 2.585 2.937     .  0 0 "[    .    1    .    2]" 1 
        427 1  40 GLN H    1  41 LEU HB2  . . 4.610 4.598 4.395 4.690 0.080  3 0 "[    .    1    .    2]" 1 
        428 1  40 GLN H    1  42 GLU H    . . 4.650 4.377 3.905 4.715 0.065  3 0 "[    .    1    .    2]" 1 
        429 1  40 GLN H    1  43 HIS H    . . 5.500 4.693 4.497 4.890     .  0 0 "[    .    1    .    2]" 1 
        430 1  40 GLN HA   1  40 GLN HE21 . . 4.900 2.750 2.016 4.031     .  0 0 "[    .    1    .    2]" 1 
        431 1  40 GLN HA   1  40 GLN HE22 . . 5.030 3.546 2.803 4.097     .  0 0 "[    .    1    .    2]" 1 
        432 1  40 GLN HA   1  40 GLN HG2  . . 3.920 2.844 2.611 3.316     .  0 0 "[    .    1    .    2]" 1 
        433 1  40 GLN HA   1  40 GLN HG3  . . 4.110 3.759 3.642 4.026     .  0 0 "[    .    1    .    2]" 1 
        434 1  40 GLN HA   1  43 HIS H    . . 3.950 3.512 3.072 4.006 0.056  9 0 "[    .    1    .    2]" 1 
        435 1  40 GLN HA   1  43 HIS HB2  . . 3.980 2.907 2.128 4.151 0.171  9 0 "[    .    1    .    2]" 1 
        436 1  40 GLN HA   1  43 HIS HB3  . . 4.400 2.784 2.282 3.267     .  0 0 "[    .    1    .    2]" 1 
        437 1  40 GLN HA   1  44 THR H    . . 4.690 4.001 3.529 4.354     .  0 0 "[    .    1    .    2]" 1 
        438 1  40 GLN QB   1  41 LEU H    . . 3.360 2.531 2.283 3.065     .  0 0 "[    .    1    .    2]" 1 
        439 1  40 GLN QB   1  43 HIS HB2  . . 4.960 4.923 4.271 5.958 0.998  9 1 "[    .   +1    .    2]" 1 
        440 1  40 GLN HE21 1  40 GLN HG2  . . 3.600 2.370 2.200 2.573     .  0 0 "[    .    1    .    2]" 1 
        441 1  40 GLN HG2  1  41 LEU H    . . 5.120 4.529 3.905 4.847     .  0 0 "[    .    1    .    2]" 1 
        442 1  41 LEU H    1  41 LEU HB2  . . 2.780 2.090 1.994 2.208     .  0 0 "[    .    1    .    2]" 1 
        443 1  41 LEU H    1  41 LEU HB3  . . 3.210 3.005 2.618 3.296 0.086 18 0 "[    .    1    .    2]" 1 
        444 1  41 LEU H    1  41 LEU QD   . . 4.020 3.227 2.478 3.717     .  0 0 "[    .    1    .    2]" 1 
        445 1  41 LEU H    1  42 GLU H    . . 3.460 2.790 2.418 3.009     .  0 0 "[    .    1    .    2]" 1 
        446 1  41 LEU H    1  43 HIS HB2  . . 5.500 5.242 4.707 6.058 0.558  9 1 "[    .   +1    .    2]" 1 
        447 1  41 LEU HA   1  41 LEU QD   . . 2.930 2.067 1.919 2.383     .  0 0 "[    .    1    .    2]" 1 
        448 1  41 LEU HA   1  44 THR H    . . 3.940 3.734 3.336 4.015 0.075  1 0 "[    .    1    .    2]" 1 
        449 1  41 LEU HB2  1  42 GLU H    . . 3.780 3.386 2.856 3.862 0.082  8 0 "[    .    1    .    2]" 1 
        450 1  41 LEU HB3  1  42 GLU H    . . 3.280 2.686 2.323 3.206     .  0 0 "[    .    1    .    2]" 1 
        451 1  41 LEU HB3  1  43 HIS H    . . 5.130 5.013 4.686 5.215 0.085 19 0 "[    .    1    .    2]" 1 
        452 1  41 LEU QD   1  42 GLU H    . . 4.570 3.879 3.358 4.266     .  0 0 "[    .    1    .    2]" 1 
        453 1  41 LEU QD   1  44 THR H    . . 5.110 4.679 4.169 5.075     .  0 0 "[    .    1    .    2]" 1 
        454 1  42 GLU H    1  42 GLU HB2  . . 3.160 2.667 2.065 3.884 0.724  8 3 "[*   .  + 1    .   -2]" 1 
        455 1  42 GLU H    1  43 HIS H    . . 3.460 2.539 2.115 2.774     .  0 0 "[    .    1    .    2]" 1 
        456 1  42 GLU H    1  43 HIS HA   . . 5.410 5.155 4.695 5.338     .  0 0 "[    .    1    .    2]" 1 
        457 1  42 GLU H    1  43 HIS HB2  . . 4.880 4.528 3.977 4.933 0.053  9 0 "[    .    1    .    2]" 1 
        458 1  42 GLU H    1  43 HIS HB3  . . 5.260 5.090 4.517 5.330 0.070 14 0 "[    .    1    .    2]" 1 
        459 1  42 GLU H    1  45 ARG QD   . . 4.640 4.465 4.063 4.711 0.071 19 0 "[    .    1    .    2]" 1 
        460 1  42 GLU HA   1  42 GLU HB3  . . 2.950 2.807 2.381 3.058 0.108 13 0 "[    .    1    .    2]" 1 
        461 1  42 GLU HA   1  42 GLU QG   . . 3.430 2.547 2.010 3.518 0.088  8 0 "[    .    1    .    2]" 1 
        462 1  42 GLU HA   1  45 ARG H    . . 3.540 3.358 2.962 3.618 0.078 13 0 "[    .    1    .    2]" 1 
        463 1  42 GLU HA   1  46 GLN H    . . 4.310 3.954 3.613 4.347 0.037 17 0 "[    .    1    .    2]" 1 
        464 1  42 GLU HB2  1  43 HIS H    . . 3.700 3.655 2.884 4.322 0.622 19 1 "[    .    1    .   +2]" 1 
        465 1  42 GLU QG   1  43 HIS H    . . 4.550 3.803 2.238 4.613 0.063 18 0 "[    .    1    .    2]" 1 
        466 1  43 HIS H    1  43 HIS HB2  . . 3.230 2.213 2.092 2.355     .  0 0 "[    .    1    .    2]" 1 
        467 1  43 HIS H    1  43 HIS HB3  . . 3.130 2.880 2.575 3.096     .  0 0 "[    .    1    .    2]" 1 
        468 1  43 HIS H    1  44 THR H    . . 3.670 2.876 2.598 3.210     .  0 0 "[    .    1    .    2]" 1 
        469 1  43 HIS HA   1  46 GLN H    . . 4.090 3.599 3.231 3.860     .  0 0 "[    .    1    .    2]" 1 
        470 1  43 HIS HA   1  46 GLN HB2  . . 3.940 2.659 2.299 3.324     .  0 0 "[    .    1    .    2]" 1 
        471 1  43 HIS HA   1  46 GLN HB3  . . 4.530 4.076 2.175 4.593 0.063 11 0 "[    .    1    .    2]" 1 
        472 1  43 HIS HA   1  46 GLN HG2  . . 4.950 4.304 3.438 5.026 0.076 19 0 "[    .    1    .    2]" 1 
        473 1  43 HIS HA   1  46 GLN HG3  . . 4.750 3.746 2.809 4.795 0.045 17 0 "[    .    1    .    2]" 1 
        474 1  43 HIS HA   1  47 CYS H    . . 4.480 3.914 3.668 4.188     .  0 0 "[    .    1    .    2]" 1 
        475 1  43 HIS HB2  1  44 THR H    . . 3.600 3.650 3.347 3.797 0.197  7 0 "[    .    1    .    2]" 1 
        476 1  43 HIS HB3  1  44 THR H    . . 3.710 2.619 2.278 3.021     .  0 0 "[    .    1    .    2]" 1 
        477 1  44 THR H    1  44 THR HB   . . 3.120 2.659 2.482 3.037     .  0 0 "[    .    1    .    2]" 1 
        478 1  44 THR H    1  44 THR MG   . . 3.910 3.752 3.638 3.821     .  0 0 "[    .    1    .    2]" 1 
        479 1  44 THR H    1  45 ARG H    . . 3.540 2.804 2.669 2.911     .  0 0 "[    .    1    .    2]" 1 
        480 1  44 THR H    1  45 ARG QB   . . 5.270 4.960 4.606 5.379 0.109  7 0 "[    .    1    .    2]" 1 
        481 1  44 THR H    1  45 ARG QD   . . 4.110 4.138 3.931 4.205 0.095 16 0 "[    .    1    .    2]" 1 
        482 1  44 THR HA   1  44 THR MG   . . 2.980 2.371 2.196 2.480     .  0 0 "[    .    1    .    2]" 1 
        483 1  44 THR HA   1  47 CYS H    . . 4.020 3.598 3.341 3.800     .  0 0 "[    .    1    .    2]" 1 
        484 1  44 THR HA   1  47 CYS QB   . . 4.070 2.603 2.460 2.764     .  0 0 "[    .    1    .    2]" 1 
        485 1  44 THR HB   1  45 ARG H    . . 3.000 2.596 2.210 2.928     .  0 0 "[    .    1    .    2]" 1 
        486 1  44 THR HB   1  48 LEU H    . . 5.500 5.515 5.102 5.587 0.087  4 0 "[    .    1    .    2]" 1 
        487 1  44 THR MG   1  45 ARG H    . . 3.680 3.695 3.402 3.789 0.109  3 0 "[    .    1    .    2]" 1 
        488 1  44 THR MG   1  46 GLN H    . . 5.500 5.395 5.273 5.550 0.050 17 0 "[    .    1    .    2]" 1 
        489 1  44 THR MG   1  47 CYS QB   . . 5.380 3.787 3.387 4.018     .  0 0 "[    .    1    .    2]" 1 
        490 1  44 THR MG   1  48 LEU H    . . 5.010 4.032 3.870 4.206     .  0 0 "[    .    1    .    2]" 1 
        491 1  45 ARG H    1  45 ARG QB   . . 2.910 2.508 2.206 3.000 0.090 16 0 "[    .    1    .    2]" 1 
        492 1  45 ARG H    1  45 ARG QD   . . 5.120 2.320 2.099 2.734     .  0 0 "[    .    1    .    2]" 1 
        493 1  45 ARG H    1  45 ARG HG2  . . 4.320 3.839 2.081 4.369 0.049  8 0 "[    .    1    .    2]" 1 
        494 1  45 ARG H    1  45 ARG HG3  . . 3.840 3.634 2.329 3.914 0.074  6 0 "[    .    1    .    2]" 1 
        495 1  45 ARG HA   1  45 ARG QD   . . 4.570 3.236 2.524 3.994     .  0 0 "[    .    1    .    2]" 1 
        496 1  45 ARG HA   1  45 ARG HG2  . . 3.720 3.588 3.299 4.166 0.446 16 0 "[    .    1    .    2]" 1 
        497 1  45 ARG HA   1  48 LEU H    . . 3.520 3.417 3.201 3.596 0.076 11 0 "[    .    1    .    2]" 1 
        498 1  45 ARG HA   1  49 ILE MG   . . 4.720 3.808 3.402 4.192     .  0 0 "[    .    1    .    2]" 1 
        499 1  45 ARG QB   1  45 ARG QD   . . 3.370 2.340 2.154 2.755     .  0 0 "[    .    1    .    2]" 1 
        500 1  45 ARG QB   1  46 GLN H    . . 3.260 2.775 2.425 3.368 0.108  7 0 "[    .    1    .    2]" 1 
        501 1  45 ARG QD   1  46 GLN H    . . 4.900 4.105 2.171 4.803     .  0 0 "[    .    1    .    2]" 1 
        502 1  45 ARG HG3  1  46 GLN H    . . 4.910 4.700 3.487 4.990 0.080 14 0 "[    .    1    .    2]" 1 
        503 1  46 GLN H    1  46 GLN HB2  . . 3.020 2.354 2.027 2.588     .  0 0 "[    .    1    .    2]" 1 
        504 1  46 GLN H    1  46 GLN HB3  . . 3.580 3.481 1.778 3.649 0.069  7 0 "[    .    1    .    2]" 1 
        505 1  46 GLN H    1  46 GLN HG2  . . 3.570 2.586 2.134 3.647 0.077 17 0 "[    .    1    .    2]" 1 
        506 1  46 GLN H    1  46 GLN HG3  . . 3.550 3.467 2.830 3.681 0.131 17 0 "[    .    1    .    2]" 1 
        507 1  46 GLN H    1  47 CYS H    . . 3.090 2.881 2.648 3.040     .  0 0 "[    .    1    .    2]" 1 
        508 1  46 GLN H    1  47 CYS QB   . . 4.930 4.584 4.220 4.782     .  0 0 "[    .    1    .    2]" 1 
        509 1  46 GLN H    1  48 LEU H    . . 4.500 4.387 4.208 4.556 0.056 16 0 "[    .    1    .    2]" 1 
        510 1  46 GLN HA   1  46 GLN HG2  . . 4.000 2.740 2.283 3.359     .  0 0 "[    .    1    .    2]" 1 
        511 1  46 GLN HA   1  49 ILE MD   . . 3.530 2.741 2.383 3.153     .  0 0 "[    .    1    .    2]" 1 
        512 1  46 GLN HB2  1  47 CYS H    . . 3.450 2.808 2.517 3.831 0.381 17 0 "[    .    1    .    2]" 1 
        513 1  46 GLN HB3  1  47 CYS H    . . 3.750 3.477 2.436 3.772 0.022 12 0 "[    .    1    .    2]" 1 
        514 1  46 GLN HG2  1  47 CYS H    . . 5.070 4.613 3.018 4.938     .  0 0 "[    .    1    .    2]" 1 
        515 1  46 GLN HG2  1  49 ILE MD   . . 5.170 4.286 3.155 5.246 0.076 15 0 "[    .    1    .    2]" 1 
        516 1  46 GLN HG3  1  49 ILE MD   . . 5.500 5.031 3.720 5.577 0.077  8 0 "[    .    1    .    2]" 1 
        517 1  47 CYS H    1  47 CYS QB   . . 2.890 2.180 2.046 2.288     .  0 0 "[    .    1    .    2]" 1 
        518 1  47 CYS H    1  48 LEU H    . . 3.370 2.788 2.606 2.946     .  0 0 "[    .    1    .    2]" 1 
        519 1  47 CYS QB   1  48 LEU H    . . 3.430 2.382 2.157 2.668     .  0 0 "[    .    1    .    2]" 1 
        520 1  47 CYS QB   1  51 ILE MD   . . 3.910 2.976 2.302 3.361     .  0 0 "[    .    1    .    2]" 1 
        521 1  48 LEU H    1  51 ILE MD   . . 4.830 4.035 3.462 4.558     .  0 0 "[    .    1    .    2]" 1 
        522 1  48 LEU HA   1  51 ILE H    . . 4.050 3.735 3.441 3.946     .  0 0 "[    .    1    .    2]" 1 
        523 1  48 LEU HA   1  51 ILE MD   . . 2.950 2.528 2.156 3.025 0.075 17 0 "[    .    1    .    2]" 1 
        524 1  48 LEU HA   1  51 ILE MG   . . 4.430 4.416 4.175 4.536 0.106  5 0 "[    .    1    .    2]" 1 
        525 1  48 LEU HA   1  52 GLY H    . . 4.230 4.054 3.620 4.260 0.030 14 0 "[    .    1    .    2]" 1 
        526 1  48 LEU HB3  1  49 ILE H    . . 2.870 2.638 2.337 3.122 0.252  2 0 "[    .    1    .    2]" 1 
        527 1  48 LEU QD   1  52 GLY H    . . 5.180 3.836 3.336 4.502     .  0 0 "[    .    1    .    2]" 1 
        528 1  48 LEU QD   1  76 TRP HH2  . . 3.960 3.145 2.759 3.642     .  0 0 "[    .    1    .    2]" 1 
        529 1  48 LEU QD   1  76 TRP HZ2  . . 5.500 4.925 4.540 5.471     .  0 0 "[    .    1    .    2]" 1 
        530 1  48 LEU QD   1  76 TRP HZ3  . . 3.760 3.545 3.133 3.820 0.060  3 0 "[    .    1    .    2]" 1 
        531 1  48 LEU QD   1  94 TYR H    . . 4.400 2.776 2.368 3.277     .  0 0 "[    .    1    .    2]" 1 
        532 1  48 LEU QD   1  94 TYR HB2  . . 4.210 2.323 2.075 2.834     .  0 0 "[    .    1    .    2]" 1 
        533 1  49 ILE H    1  49 ILE MD   . . 3.740 3.723 3.320 3.825 0.085  7 0 "[    .    1    .    2]" 1 
        534 1  49 ILE H    1  49 ILE QG   . . 4.450 2.210 2.092 2.355     .  0 0 "[    .    1    .    2]" 1 
        535 1  49 ILE H    1  49 ILE MG   . . 3.600 2.315 2.215 2.599     .  0 0 "[    .    1    .    2]" 1 
        536 1  49 ILE H    1  50 LYS H    . . 3.510 2.807 2.729 2.938     .  0 0 "[    .    1    .    2]" 1 
        537 1  49 ILE H    1  51 ILE H    . . 4.750 4.345 4.159 4.516     .  0 0 "[    .    1    .    2]" 1 
        538 1  49 ILE H    1  52 GLY H    . . 5.100 4.834 4.637 5.017     .  0 0 "[    .    1    .    2]" 1 
        539 1  49 ILE H    1  94 TYR QD   . . 4.420 4.249 3.984 4.484 0.064  4 0 "[    .    1    .    2]" 1 
        540 1  49 ILE H    1  94 TYR QE   . . 4.680 4.775 4.740 4.788 0.108  1 0 "[    .    1    .    2]" 1 
        541 1  49 ILE HA   1  49 ILE MG   . . 3.210 2.245 2.175 2.311     .  0 0 "[    .    1    .    2]" 1 
        542 1  49 ILE HA   1  52 GLY H    . . 5.000 3.393 3.217 3.838     .  0 0 "[    .    1    .    2]" 1 
        543 1  49 ILE HA   1  53 ASP H    . . 4.560 3.731 3.540 3.960     .  0 0 "[    .    1    .    2]" 1 
        544 1  49 ILE HA   1  94 TYR QD   . . 3.080 2.263 2.039 2.648     .  0 0 "[    .    1    .    2]" 1 
        545 1  49 ILE HA   1  94 TYR QE   . . 3.030 2.024 1.973 2.094     .  0 0 "[    .    1    .    2]" 1 
        546 1  49 ILE HB   1  50 LYS H    . . 3.890 3.912 3.693 3.966 0.076 14 0 "[    .    1    .    2]" 1 
        547 1  49 ILE MD   1  50 LYS H    . . 5.010 3.385 2.199 4.154     .  0 0 "[    .    1    .    2]" 1 
        548 1  49 ILE MD   1  50 LYS HA   . . 5.500 3.934 2.696 5.098     .  0 0 "[    .    1    .    2]" 1 
        549 1  49 ILE MD   1  50 LYS QD   . . 3.790 3.294 2.134 3.903 0.113  7 0 "[    .    1    .    2]" 1 
        550 1  49 ILE MD   1  94 TYR QE   . . 4.780 4.668 4.406 4.899 0.119  8 0 "[    .    1    .    2]" 1 
        551 1  49 ILE MG   1  50 LYS H    . . 4.380 4.154 3.993 4.262     .  0 0 "[    .    1    .    2]" 1 
        552 1  49 ILE MG   1  94 TYR QD   . . 3.890 2.930 2.538 3.545     .  0 0 "[    .    1    .    2]" 1 
        553 1  49 ILE MG   1  94 TYR QE   . . 3.720 3.033 2.779 3.525     .  0 0 "[    .    1    .    2]" 1 
        554 1  49 ILE MG   1  97 ALA H    . . 4.800 4.640 4.336 4.882 0.082  2 0 "[    .    1    .    2]" 1 
        555 1  49 ILE MG   1  98 ILE H    . . 3.620 3.533 3.141 3.725 0.105  8 0 "[    .    1    .    2]" 1 
        556 1  50 LYS H    1  50 LYS HB2  . . 2.960 2.175 1.959 2.389     .  0 0 "[    .    1    .    2]" 1 
        557 1  50 LYS H    1  50 LYS HB3  . . 3.130 2.977 2.544 3.228 0.098  3 0 "[    .    1    .    2]" 1 
        558 1  50 LYS H    1  50 LYS QD   . . 3.980 3.459 2.580 4.058 0.078  4 0 "[    .    1    .    2]" 1 
        559 1  50 LYS H    1  51 ILE H    . . 3.280 2.723 2.570 2.816     .  0 0 "[    .    1    .    2]" 1 
        560 1  50 LYS H    1  51 ILE HA   . . 5.310 5.350 5.202 5.382 0.072 20 0 "[    .    1    .    2]" 1 
        561 1  50 LYS H    1  52 GLY H    . . 4.880 4.332 4.082 4.550     .  0 0 "[    .    1    .    2]" 1 
        562 1  50 LYS HA   1  51 ILE QG   . . 5.150 5.172 5.008 5.239 0.089 15 0 "[    .    1    .    2]" 1 
        563 1  50 LYS HA   1  53 ASP H    . . 4.160 3.627 3.197 3.976     .  0 0 "[    .    1    .    2]" 1 
        564 1  50 LYS HA   1  53 ASP HB2  . . 3.510 3.283 2.374 4.140 0.630  2 2 "[ +  .    1    .   -2]" 1 
        565 1  50 LYS HA   1  53 ASP HB3  . . 4.080 3.350 2.453 4.156 0.076 18 0 "[    .    1    .    2]" 1 
        566 1  50 LYS HA   1  54 HIS H    . . 5.320 3.845 3.682 4.075     .  0 0 "[    .    1    .    2]" 1 
        567 1  50 LYS HB3  1  51 ILE H    . . 3.600 2.844 2.420 3.123     .  0 0 "[    .    1    .    2]" 1 
        568 1  51 ILE H    1  51 ILE HB   . . 2.820 2.540 2.390 2.668     .  0 0 "[    .    1    .    2]" 1 
        569 1  51 ILE H    1  51 ILE MD   . . 3.620 3.344 3.062 3.579     .  0 0 "[    .    1    .    2]" 1 
        570 1  51 ILE H    1  51 ILE MG   . . 3.960 3.792 3.758 3.840     .  0 0 "[    .    1    .    2]" 1 
        571 1  51 ILE H    1  52 GLY H    . . 3.630 2.750 2.581 2.825     .  0 0 "[    .    1    .    2]" 1 
        572 1  51 ILE H    1  52 GLY HA3  . . 5.030 5.025 4.822 5.102 0.072  4 0 "[    .    1    .    2]" 1 
        573 1  51 ILE H    1  53 ASP H    . . 4.980 4.158 4.016 4.298     .  0 0 "[    .    1    .    2]" 1 
        574 1  51 ILE H    1  94 TYR QE   . . 5.500 5.487 5.058 5.576 0.076 12 0 "[    .    1    .    2]" 1 
        575 1  51 ILE HA   1  51 ILE QG   . . 3.540 2.482 2.323 2.592     .  0 0 "[    .    1    .    2]" 1 
        576 1  51 ILE HA   1  51 ILE MG   . . 3.360 2.397 2.250 2.524     .  0 0 "[    .    1    .    2]" 1 
        577 1  51 ILE HA   1  53 ASP H    . . 5.160 4.517 4.299 4.740     .  0 0 "[    .    1    .    2]" 1 
        578 1  51 ILE HA   1  54 HIS H    . . 3.730 3.706 3.627 3.796 0.066  4 0 "[    .    1    .    2]" 1 
        579 1  51 ILE HA   1  54 HIS HB2  . . 4.250 3.156 2.743 3.944     .  0 0 "[    .    1    .    2]" 1 
        580 1  51 ILE HA   1  55 ILE MD   . . 5.500 4.361 3.940 4.718     .  0 0 "[    .    1    .    2]" 1 
        581 1  51 ILE HB   1  51 ILE MD   . . 2.870 2.301 2.164 2.411     .  0 0 "[    .    1    .    2]" 1 
        582 1  51 ILE HB   1  52 GLY H    . . 3.410 2.460 2.280 2.616     .  0 0 "[    .    1    .    2]" 1 
        583 1  51 ILE HB   1  52 GLY HA2  . . 4.690 4.226 3.990 4.353     .  0 0 "[    .    1    .    2]" 1 
        584 1  51 ILE HB   1  52 GLY HA3  . . 4.380 4.366 4.154 4.442 0.062  9 0 "[    .    1    .    2]" 1 
        585 1  51 ILE HB   1  76 TRP HZ3  . . 4.690 4.722 4.441 4.782 0.092 15 0 "[    .    1    .    2]" 1 
        586 1  51 ILE MD   1  51 ILE MG   . . 3.400 2.165 2.061 2.416     .  0 0 "[    .    1    .    2]" 1 
        587 1  51 ILE MD   1  52 GLY H    . . 4.530 4.279 4.063 4.496     .  0 0 "[    .    1    .    2]" 1 
        588 1  51 ILE MD   1  76 TRP HZ3  . . 5.300 4.860 4.536 5.205     .  0 0 "[    .    1    .    2]" 1 
        589 1  51 ILE QG   1  52 GLY H    . . 4.600 4.103 3.921 4.190     .  0 0 "[    .    1    .    2]" 1 
        590 1  51 ILE MG   1  52 GLY H    . . 4.080 3.266 3.036 3.508     .  0 0 "[    .    1    .    2]" 1 
        591 1  51 ILE MG   1  53 ASP H    . . 5.420 4.936 4.649 5.166     .  0 0 "[    .    1    .    2]" 1 
        592 1  51 ILE MG   1  54 HIS H    . . 4.830 4.902 4.818 4.928 0.098  4 0 "[    .    1    .    2]" 1 
        593 1  51 ILE MG   1  55 ILE H    . . 4.050 4.088 3.952 4.142 0.092  7 0 "[    .    1    .    2]" 1 
        594 1  51 ILE MG   1  55 ILE MD   . . 3.470 2.162 1.949 2.453     .  0 0 "[    .    1    .    2]" 1 
        595 1  51 ILE MG   1  76 TRP HA   . . 5.480 5.042 4.490 5.328     .  0 0 "[    .    1    .    2]" 1 
        596 1  51 ILE MG   1  76 TRP HE3  . . 5.100 4.598 4.143 4.953     .  0 0 "[    .    1    .    2]" 1 
        597 1  51 ILE MG   1  76 TRP HH2  . . 4.530 4.156 3.546 4.613 0.083  6 0 "[    .    1    .    2]" 1 
        598 1  51 ILE MG   1  76 TRP HZ3  . . 4.200 3.648 3.155 4.148     .  0 0 "[    .    1    .    2]" 1 
        599 1  51 ILE MG   1  78 PHE QD   . . 5.500 5.471 5.237 5.614 0.114 17 0 "[    .    1    .    2]" 1 
        600 1  51 ILE MG   1  79 VAL H    . . 5.500 5.354 5.142 5.573 0.073 17 0 "[    .    1    .    2]" 1 
        601 1  51 ILE MG   1  79 VAL HB   . . 4.710 3.892 3.674 4.333     .  0 0 "[    .    1    .    2]" 1 
        602 1  52 GLY H    1  53 ASP H    . . 3.670 2.724 2.591 2.851     .  0 0 "[    .    1    .    2]" 1 
        603 1  52 GLY H    1  53 ASP HA   . . 5.500 5.362 5.266 5.455     .  0 0 "[    .    1    .    2]" 1 
        604 1  52 GLY H    1  53 ASP HB2  . . 5.060 4.804 4.589 5.073 0.013  9 0 "[    .    1    .    2]" 1 
        605 1  52 GLY H    1  54 HIS H    . . 5.040 4.400 4.267 4.581     .  0 0 "[    .    1    .    2]" 1 
        606 1  52 GLY H    1  55 ILE H    . . 5.220 4.786 4.652 4.896     .  0 0 "[    .    1    .    2]" 1 
        607 1  52 GLY H    1  55 ILE HB   . . 5.290 5.059 4.775 5.288     .  0 0 "[    .    1    .    2]" 1 
        608 1  52 GLY H    1  55 ILE MD   . . 5.050 4.337 4.085 4.629     .  0 0 "[    .    1    .    2]" 1 
        609 1  52 GLY H    1  76 TRP HH2  . . 4.240 4.107 3.665 4.301 0.061 14 0 "[    .    1    .    2]" 1 
        610 1  52 GLY H    1  76 TRP HZ3  . . 5.500 5.333 4.873 5.568 0.068 12 0 "[    .    1    .    2]" 1 
        611 1  52 GLY H    1  94 TYR QD   . . 4.270 3.631 3.338 3.936     .  0 0 "[    .    1    .    2]" 1 
        612 1  52 GLY H    1  94 TYR QE   . . 4.200 3.771 3.275 4.042     .  0 0 "[    .    1    .    2]" 1 
        613 1  52 GLY HA2  1  55 ILE HB   . . 5.500 2.604 2.338 2.823     .  0 0 "[    .    1    .    2]" 1 
        614 1  52 GLY HA2  1  55 ILE MD   . . 4.610 2.509 2.261 2.768     .  0 0 "[    .    1    .    2]" 1 
        615 1  52 GLY HA2  1  55 ILE HG13 . . 4.040 3.745 3.315 4.103 0.063 15 0 "[    .    1    .    2]" 1 
        616 1  52 GLY HA2  1  76 TRP HH2  . . 4.260 3.244 2.867 3.636     .  0 0 "[    .    1    .    2]" 1 
        617 1  52 GLY HA2  1  76 TRP HZ2  . . 3.740 3.431 2.776 3.801 0.061  1 0 "[    .    1    .    2]" 1 
        618 1  52 GLY HA2  1  94 TYR QD   . . 4.600 4.243 4.033 4.414     .  0 0 "[    .    1    .    2]" 1 
        619 1  52 GLY HA2  1  94 TYR QE   . . 4.250 4.291 4.130 4.351 0.101 19 0 "[    .    1    .    2]" 1 
        620 1  52 GLY HA3  1  53 ASP HA   . . 4.520 4.479 4.380 4.561 0.041  4 0 "[    .    1    .    2]" 1 
        621 1  52 GLY HA3  1  94 TYR QE   . . 3.600 3.048 2.783 3.262     .  0 0 "[    .    1    .    2]" 1 
        622 1  53 ASP H    1  53 ASP HB2  . . 3.310 2.333 2.160 2.554     .  0 0 "[    .    1    .    2]" 1 
        623 1  53 ASP H    1  53 ASP HB3  . . 3.460 2.931 2.324 3.522 0.062 20 0 "[    .    1    .    2]" 1 
        624 1  53 ASP H    1  54 HIS H    . . 3.490 2.746 2.579 2.910     .  0 0 "[    .    1    .    2]" 1 
        625 1  53 ASP H    1  54 HIS HA   . . 5.470 5.330 5.178 5.464     .  0 0 "[    .    1    .    2]" 1 
        626 1  53 ASP H    1  55 ILE H    . . 5.070 4.008 3.869 4.186     .  0 0 "[    .    1    .    2]" 1 
        627 1  53 ASP H    1  94 TYR QD   . . 4.490 4.482 4.313 4.568 0.078 13 0 "[    .    1    .    2]" 1 
        628 1  53 ASP H    1  94 TYR QE   . . 3.700 3.033 2.814 3.184     .  0 0 "[    .    1    .    2]" 1 
        629 1  53 ASP HA   1  55 ILE H    . . 4.780 4.370 4.142 4.584     .  0 0 "[    .    1    .    2]" 1 
        630 1  53 ASP HA   1  94 TYR QE   . . 4.370 3.910 3.696 4.188     .  0 0 "[    .    1    .    2]" 1 
        631 1  53 ASP HB2  1  54 HIS H    . . 3.290 3.402 2.461 3.913 0.623  7 8 "[*- *. + *1   *. * *2]" 1 
        632 1  53 ASP HB2  1  94 TYR QE   . . 4.470 3.610 2.902 4.536 0.066 20 0 "[    .    1    .    2]" 1 
        633 1  53 ASP HB3  1  54 HIS H    . . 3.850 2.796 2.312 3.291     .  0 0 "[    .    1    .    2]" 1 
        634 1  53 ASP HB3  1  94 TYR QE   . . 5.460 4.839 4.248 5.490 0.030  3 0 "[    .    1    .    2]" 1 
        635 1  54 HIS H    1  54 HIS HB2  . . 3.110 2.338 2.217 2.454     .  0 0 "[    .    1    .    2]" 1 
        636 1  54 HIS H    1  55 ILE H    . . 3.050 2.715 2.604 2.836     .  0 0 "[    .    1    .    2]" 1 
        637 1  54 HIS H    1  55 ILE HB   . . 5.080 4.755 4.450 4.917     .  0 0 "[    .    1    .    2]" 1 
        638 1  54 HIS H    1  55 ILE HG13 . . 5.500 4.686 4.489 4.835     .  0 0 "[    .    1    .    2]" 1 
        639 1  54 HIS HA   1  57 GLU H    . . 3.640 3.344 3.122 3.567     .  0 0 "[    .    1    .    2]" 1 
        640 1  54 HIS HA   1  57 GLU QB   . . 3.810 2.750 2.066 3.903 0.093  7 0 "[    .    1    .    2]" 1 
        641 1  54 HIS HA   1  58 CYS H    . . 4.950 4.079 3.679 4.426     .  0 0 "[    .    1    .    2]" 1 
        642 1  54 HIS HB3  1  55 ILE H    . . 3.920 3.545 2.597 3.849     .  0 0 "[    .    1    .    2]" 1 
        643 1  55 ILE H    1  55 ILE HB   . . 3.370 2.346 2.222 2.418     .  0 0 "[    .    1    .    2]" 1 
        644 1  55 ILE H    1  55 ILE MD   . . 3.970 3.633 3.407 3.750     .  0 0 "[    .    1    .    2]" 1 
        645 1  55 ILE H    1  55 ILE HG12 . . 3.650 3.668 3.494 3.710 0.060 18 0 "[    .    1    .    2]" 1 
        646 1  55 ILE H    1  55 ILE HG13 . . 3.630 2.415 2.235 2.506     .  0 0 "[    .    1    .    2]" 1 
        647 1  55 ILE H    1  55 ILE MG   . . 3.880 3.758 3.695 3.802     .  0 0 "[    .    1    .    2]" 1 
        648 1  55 ILE H    1  56 THR H    . . 4.110 2.753 2.572 2.968     .  0 0 "[    .    1    .    2]" 1 
        649 1  55 ILE H    1  59 LEU QD   . . 5.300 5.091 4.829 5.222     .  0 0 "[    .    1    .    2]" 1 
        650 1  55 ILE HA   1  55 ILE HB   . . 2.920 2.999 2.995 3.003 0.083 13 0 "[    .    1    .    2]" 1 
        651 1  55 ILE HA   1  55 ILE MD   . . 3.850 3.820 3.764 3.862 0.012 10 0 "[    .    1    .    2]" 1 
        652 1  55 ILE HA   1  55 ILE HG12 . . 3.190 2.462 2.391 2.576     .  0 0 "[    .    1    .    2]" 1 
        653 1  55 ILE HA   1  57 GLU H    . . 4.630 4.605 4.316 4.699 0.069  4 0 "[    .    1    .    2]" 1 
        654 1  55 ILE HA   1  59 LEU H    . . 4.640 4.171 3.737 4.365     .  0 0 "[    .    1    .    2]" 1 
        655 1  55 ILE HA   1  59 LEU QD   . . 4.390 3.635 3.108 3.967     .  0 0 "[    .    1    .    2]" 1 
        656 1  55 ILE HB   1  55 ILE MD   . . 3.710 2.408 2.256 2.495     .  0 0 "[    .    1    .    2]" 1 
        657 1  55 ILE HB   1  56 THR H    . . 3.610 2.590 2.471 2.782     .  0 0 "[    .    1    .    2]" 1 
        658 1  55 ILE HB   1  56 THR HA   . . 4.420 4.472 4.392 4.496 0.076  2 0 "[    .    1    .    2]" 1 
        659 1  55 ILE MD   1  55 ILE MG   . . 3.350 2.041 2.008 2.075     .  0 0 "[    .    1    .    2]" 1 
        660 1  55 ILE MD   1  56 THR H    . . 4.840 4.612 4.509 4.740     .  0 0 "[    .    1    .    2]" 1 
        661 1  55 ILE MD   1  59 LEU QD   . . 4.170 4.073 3.971 4.153     .  0 0 "[    .    1    .    2]" 1 
        662 1  55 ILE MD   1  75 LEU H    . . 5.400 5.177 4.802 5.470 0.070  3 0 "[    .    1    .    2]" 1 
        663 1  55 ILE MD   1  75 LEU HA   . . 5.500 4.366 4.117 4.664     .  0 0 "[    .    1    .    2]" 1 
        664 1  55 ILE MD   1  75 LEU HB2  . . 4.250 3.560 2.907 3.964     .  0 0 "[    .    1    .    2]" 1 
        665 1  55 ILE MD   1  76 TRP H    . . 4.690 3.701 3.289 4.471     .  0 0 "[    .    1    .    2]" 1 
        666 1  55 ILE MD   1  76 TRP HA   . . 4.590 2.985 2.582 3.917     .  0 0 "[    .    1    .    2]" 1 
        667 1  55 ILE MD   1  76 TRP HD1  . . 5.400 4.746 4.162 5.475 0.075  7 0 "[    .    1    .    2]" 1 
        668 1  55 ILE MD   1  76 TRP HE1  . . 5.240 4.481 3.858 5.239     .  0 0 "[    .    1    .    2]" 1 
        669 1  55 ILE MD   1  76 TRP HE3  . . 4.680 3.522 3.068 4.593     .  0 0 "[    .    1    .    2]" 1 
        670 1  55 ILE MD   1  76 TRP HH2  . . 4.840 3.843 3.301 4.405     .  0 0 "[    .    1    .    2]" 1 
        671 1  55 ILE MD   1  76 TRP HZ2  . . 4.360 4.010 3.475 4.471 0.111  7 0 "[    .    1    .    2]" 1 
        672 1  55 ILE MD   1  76 TRP HZ3  . . 4.910 3.694 3.194 4.456     .  0 0 "[    .    1    .    2]" 1 
        673 1  55 ILE MD   1  78 PHE QD   . . 5.500 4.968 4.529 5.301     .  0 0 "[    .    1    .    2]" 1 
        674 1  55 ILE MD   1  79 VAL H    . . 5.500 4.354 4.118 4.798     .  0 0 "[    .    1    .    2]" 1 
        675 1  55 ILE MD   1  79 VAL HA   . . 5.500 5.262 4.771 5.572 0.072 17 0 "[    .    1    .    2]" 1 
        676 1  55 ILE MD   1  79 VAL HB   . . 5.140 3.564 3.090 4.110     .  0 0 "[    .    1    .    2]" 1 
        677 1  55 ILE MD   1  79 VAL MG2  . . 3.650 2.164 1.964 2.497     .  0 0 "[    .    1    .    2]" 1 
        678 1  55 ILE HG12 1  56 THR H    . . 5.170 5.073 4.989 5.156     .  0 0 "[    .    1    .    2]" 1 
        679 1  55 ILE HG13 1  56 THR H    . . 5.190 4.501 4.455 4.558     .  0 0 "[    .    1    .    2]" 1 
        680 1  55 ILE MG   1  56 THR H    . . 4.020 3.132 2.832 3.432     .  0 0 "[    .    1    .    2]" 1 
        681 1  55 ILE MG   1  56 THR HA   . . 3.730 3.199 2.925 3.483     .  0 0 "[    .    1    .    2]" 1 
        682 1  55 ILE MG   1  58 CYS HB2  . . 5.120 4.155 3.485 4.622     .  0 0 "[    .    1    .    2]" 1 
        683 1  55 ILE MG   1  59 LEU H    . . 5.210 4.098 3.652 4.323     .  0 0 "[    .    1    .    2]" 1 
        684 1  55 ILE MG   1  59 LEU QD   . . 3.360 1.882 1.846 1.928     .  0 0 "[    .    1    .    2]" 1 
        685 1  55 ILE MG   1  75 LEU H    . . 5.180 4.398 4.168 4.634     .  0 0 "[    .    1    .    2]" 1 
        686 1  55 ILE MG   1  75 LEU HA   . . 4.560 4.643 4.575 4.664 0.104  5 0 "[    .    1    .    2]" 1 
        687 1  55 ILE MG   1  75 LEU HB3  . . 2.730 2.484 2.284 2.804 0.074  5 0 "[    .    1    .    2]" 1 
        688 1  55 ILE MG   1  76 TRP HE1  . . 4.420 3.555 2.681 4.496 0.076  7 0 "[    .    1    .    2]" 1 
        689 1  55 ILE MG   1  76 TRP HZ2  . . 4.970 4.263 3.833 4.859     .  0 0 "[    .    1    .    2]" 1 
        690 1  56 THR H    1  56 THR HB   . . 3.020 2.593 2.388 2.812     .  0 0 "[    .    1    .    2]" 1 
        691 1  56 THR H    1  56 THR MG   . . 3.900 3.752 3.706 3.797     .  0 0 "[    .    1    .    2]" 1 
        692 1  56 THR H    1  57 GLU H    . . 3.610 2.817 2.637 2.987     .  0 0 "[    .    1    .    2]" 1 
        693 1  56 THR H    1  57 GLU QB   . . 5.500 4.761 4.457 5.111     .  0 0 "[    .    1    .    2]" 1 
        694 1  56 THR H    1  57 GLU HG2  . . 5.350 5.168 4.434 6.283 0.933 16 5 "[ *  .    1- * .+ * 2]" 1 
        695 1  56 THR HA   1  56 THR MG   . . 3.150 2.367 2.215 2.492     .  0 0 "[    .    1    .    2]" 1 
        696 1  56 THR HA   1  58 CYS H    . . 4.700 4.353 4.015 4.735 0.035 17 0 "[    .    1    .    2]" 1 
        697 1  56 THR HA   1  59 LEU H    . . 3.840 3.493 3.106 3.764     .  0 0 "[    .    1    .    2]" 1 
        698 1  56 THR HA   1  59 LEU HB2  . . 3.340 2.851 2.432 3.221     .  0 0 "[    .    1    .    2]" 1 
        699 1  56 THR HB   1  57 GLU H    . . 3.270 2.717 2.465 3.040     .  0 0 "[    .    1    .    2]" 1 
        700 1  56 THR HB   1  58 CYS H    . . 5.230 5.134 4.840 5.291 0.061  9 0 "[    .    1    .    2]" 1 
        701 1  56 THR MG   1  57 GLU H    . . 3.940 3.638 3.282 3.867     .  0 0 "[    .    1    .    2]" 1 
        702 1  56 THR MG   1  57 GLU HA   . . 4.320 3.780 3.410 4.100     .  0 0 "[    .    1    .    2]" 1 
        703 1  56 THR MG   1  57 GLU HG2  . . 5.500 4.652 3.291 6.287 0.787 11 1 "[    .    1+   .    2]" 1 
        704 1  57 GLU H    1  57 GLU QB   . . 3.200 2.345 2.163 2.569     .  0 0 "[    .    1    .    2]" 1 
        705 1  57 GLU H    1  57 GLU HG2  . . 3.520 2.825 2.173 3.724 0.204 16 0 "[    .    1    .    2]" 1 
        706 1  57 GLU H    1  57 GLU HG3  . . 3.960 3.171 2.157 3.988 0.028 19 0 "[    .    1    .    2]" 1 
        707 1  57 GLU H    1  58 CYS H    . . 3.310 2.728 2.574 2.826     .  0 0 "[    .    1    .    2]" 1 
        708 1  57 GLU H    1  58 CYS HB2  . . 4.660 4.661 4.498 4.733 0.073 20 0 "[    .    1    .    2]" 1 
        709 1  57 GLU H    1  59 LEU QD   . . 5.250 4.826 4.484 5.108     .  0 0 "[    .    1    .    2]" 1 
        710 1  57 GLU H    1  60 LYS QD   . . 4.580 4.254 3.829 4.665 0.085 15 0 "[    .    1    .    2]" 1 
        711 1  57 GLU HA   1  57 GLU HG2  . . 3.400 3.113 2.445 4.172 0.772 11 4 "[*   . -  1+   . *  2]" 1 
        712 1  57 GLU HA   1  60 LYS H    . . 3.750 3.414 2.836 3.815 0.065  5 0 "[    .    1    .    2]" 1 
        713 1  57 GLU HA   1  60 LYS QD   . . 3.500 2.412 1.885 3.581 0.081 15 0 "[    .    1    .    2]" 1 
        714 1  57 GLU HA   1  60 LYS QG   . . 5.140 3.482 1.932 4.690     .  0 0 "[    .    1    .    2]" 1 
        715 1  57 GLU QB   1  58 CYS H    . . 3.430 2.965 2.376 3.530 0.100  1 0 "[    .    1    .    2]" 1 
        716 1  58 CYS H    1  58 CYS HB2  . . 3.260 2.238 2.064 2.370     .  0 0 "[    .    1    .    2]" 1 
        717 1  58 CYS H    1  58 CYS HB3  . . 3.540 3.516 3.374 3.600 0.060  7 0 "[    .    1    .    2]" 1 
        718 1  58 CYS H    1  59 LEU H    . . 3.680 2.583 2.263 2.922     .  0 0 "[    .    1    .    2]" 1 
        719 1  58 CYS H    1  59 LEU QD   . . 5.360 4.261 3.628 4.732     .  0 0 "[    .    1    .    2]" 1 
        720 1  58 CYS H    1  60 LYS H    . . 4.790 4.040 3.687 4.284     .  0 0 "[    .    1    .    2]" 1 
        721 1  58 CYS H    1  60 LYS QD   . . 5.220 4.977 4.431 5.307 0.087 15 0 "[    .    1    .    2]" 1 
        722 1  58 CYS HB2  1  59 LEU H    . . 3.880 2.635 2.209 3.005     .  0 0 "[    .    1    .    2]" 1 
        723 1  58 CYS HB2  1  60 LYS H    . . 5.420 5.097 4.881 5.413     .  0 0 "[    .    1    .    2]" 1 
        724 1  58 CYS HB3  1  59 LEU H    . . 3.150 3.220 3.120 3.241 0.091 14 0 "[    .    1    .    2]" 1 
        725 1  59 LEU H    1  59 LEU HB2  . . 2.720 2.582 2.420 2.776 0.056 11 0 "[    .    1    .    2]" 1 
        726 1  59 LEU H    1  59 LEU QD   . . 3.510 2.761 2.163 3.143     .  0 0 "[    .    1    .    2]" 1 
        727 1  59 LEU H    1  60 LYS H    . . 3.520 2.789 2.561 3.013     .  0 0 "[    .    1    .    2]" 1 
        728 1  59 LEU H    1  61 GLU H    . . 4.220 4.149 3.955 4.283 0.063 19 0 "[    .    1    .    2]" 1 
        729 1  59 LEU H    1  62 TYR H    . . 5.500 5.568 5.502 5.595 0.095 14 0 "[    .    1    .    2]" 1 
        730 1  59 LEU H    1  62 TYR QE   . . 4.940 4.777 4.344 5.020 0.080  4 0 "[    .    1    .    2]" 1 
        731 1  59 LEU HA   1  59 LEU QD   . . 3.750 2.200 2.109 2.291     .  0 0 "[    .    1    .    2]" 1 
        732 1  59 LEU HA   1  61 GLU H    . . 4.190 3.599 3.429 3.905     .  0 0 "[    .    1    .    2]" 1 
        733 1  59 LEU HA   1  62 TYR H    . . 4.120 3.491 3.332 3.652     .  0 0 "[    .    1    .    2]" 1 
        734 1  59 LEU HA   1  62 TYR QD   . . 2.970 2.350 2.194 2.582     .  0 0 "[    .    1    .    2]" 1 
        735 1  59 LEU HA   1  62 TYR QE   . . 3.460 2.686 2.243 2.926     .  0 0 "[    .    1    .    2]" 1 
        736 1  59 LEU HA   1  71 TRP HD1  . . 5.410 5.309 4.908 5.485 0.075  4 0 "[    .    1    .    2]" 1 
        737 1  59 LEU HB2  1  61 GLU H    . . 4.870 4.942 4.894 4.961 0.091  8 0 "[    .    1    .    2]" 1 
        738 1  59 LEU HB3  1  62 TYR QD   . . 3.490 3.557 3.471 3.582 0.092 18 0 "[    .    1    .    2]" 1 
        739 1  59 LEU HB3  1  62 TYR QE   . . 4.510 4.510 4.022 4.593 0.083 11 0 "[    .    1    .    2]" 1 
        740 1  59 LEU HB3  1  72 ARG H    . . 4.540 4.515 4.265 4.610 0.070 10 0 "[    .    1    .    2]" 1 
        741 1  59 LEU HB3  1  72 ARG HA   . . 4.180 4.257 4.118 4.274 0.094 12 0 "[    .    1    .    2]" 1 
        742 1  59 LEU QD   1  60 LYS H    . . 4.550 4.115 3.801 4.251     .  0 0 "[    .    1    .    2]" 1 
        743 1  59 LEU QD   1  62 TYR QD   . . 3.460 3.017 2.703 3.356     .  0 0 "[    .    1    .    2]" 1 
        744 1  59 LEU QD   1  62 TYR QE   . . 3.560 2.230 2.036 2.502     .  0 0 "[    .    1    .    2]" 1 
        745 1  59 LEU QD   1  71 TRP H    . . 4.330 3.994 3.626 4.314     .  0 0 "[    .    1    .    2]" 1 
        746 1  59 LEU QD   1  71 TRP QB   . . 3.600 1.956 1.831 2.063     .  0 0 "[    .    1    .    2]" 1 
        747 1  59 LEU QD   1  71 TRP HD1  . . 4.310 4.211 3.973 4.356 0.046 11 0 "[    .    1    .    2]" 1 
        748 1  59 LEU QD   1  72 ARG H    . . 3.680 2.811 2.464 3.344     .  0 0 "[    .    1    .    2]" 1 
        749 1  59 LEU QD   1  73 LYS H    . . 5.070 4.313 4.087 4.570     .  0 0 "[    .    1    .    2]" 1 
        750 1  60 LYS H    1  60 LYS QD   . . 3.080 3.044 2.637 3.189 0.109 17 0 "[    .    1    .    2]" 1 
        751 1  60 LYS H    1  60 LYS QG   . . 3.680 2.922 2.133 3.769 0.089  8 0 "[    .    1    .    2]" 1 
        752 1  60 LYS H    1  61 GLU H    . . 3.430 2.748 2.541 2.891     .  0 0 "[    .    1    .    2]" 1 
        753 1  60 LYS HA   1  60 LYS QG   . . 3.730 2.748 2.147 3.549     .  0 0 "[    .    1    .    2]" 1 
        754 1  60 LYS HA   1  62 TYR H    . . 4.020 4.038 3.722 4.099 0.079  8 0 "[    .    1    .    2]" 1 
        755 1  61 GLU H    1  61 GLU HB2  . . 3.010 2.211 2.004 2.360     .  0 0 "[    .    1    .    2]" 1 
        756 1  61 GLU H    1  61 GLU HB3  . . 3.250 2.765 2.473 3.126     .  0 0 "[    .    1    .    2]" 1 
        757 1  61 GLU H    1  61 GLU QG   . . 3.720 3.798 3.621 3.826 0.106 20 0 "[    .    1    .    2]" 1 
        758 1  61 GLU H    1  62 TYR H    . . 3.270 2.608 2.318 2.742     .  0 0 "[    .    1    .    2]" 1 
        759 1  61 GLU H    1  62 TYR HB2  . . 5.200 5.210 4.858 5.273 0.073 17 0 "[    .    1    .    2]" 1 
        760 1  61 GLU H    1  62 TYR QE   . . 5.440 5.187 4.821 5.523 0.083 14 0 "[    .    1    .    2]" 1 
        761 1  61 GLU HA   1  62 TYR H    . . 3.530 3.564 3.425 3.601 0.071 13 0 "[    .    1    .    2]" 1 
        762 1  61 GLU HB2  1  62 TYR H    . . 3.610 3.683 3.664 3.694 0.084 15 0 "[    .    1    .    2]" 1 
        763 1  61 GLU HB3  1  62 TYR H    . . 3.430 2.726 2.328 3.498 0.068 11 0 "[    .    1    .    2]" 1 
        764 1  61 GLU HB3  1  62 TYR QE   . . 4.550 4.163 3.626 4.635 0.085 15 0 "[    .    1    .    2]" 1 
        765 1  61 GLU QG   1  62 TYR H    . . 4.550 4.211 3.533 4.551 0.001 11 0 "[    .    1    .    2]" 1 
        766 1  62 TYR H    1  62 TYR HB2  . . 3.470 2.752 2.604 2.943     .  0 0 "[    .    1    .    2]" 1 
        767 1  62 TYR H    1  62 TYR HB3  . . 3.620 3.664 3.603 3.700 0.080 20 0 "[    .    1    .    2]" 1 
        768 1  62 TYR H    1  62 TYR QE   . . 4.540 4.313 4.047 4.512     .  0 0 "[    .    1    .    2]" 1 
        769 1  62 TYR H    1  63 THR H    . . 5.030 4.552 2.698 4.702     .  0 0 "[    .    1    .    2]" 1 
        770 1  62 TYR H    1  63 THR MG   . . 5.500 5.357 4.914 5.611 0.111 18 0 "[    .    1    .    2]" 1 
        771 1  62 TYR H    1  68 ILE HA   . . 4.930 4.994 4.904 5.020 0.090 15 0 "[    .    1    .    2]" 1 
        772 1  62 TYR HA   1  62 TYR QD   . . 3.190 2.454 2.260 2.628     .  0 0 "[    .    1    .    2]" 1 
        773 1  62 TYR HA   1  62 TYR QE   . . 4.540 4.581 4.324 4.637 0.097 12 0 "[    .    1    .    2]" 1 
        774 1  62 TYR HA   1  63 THR H    . . 3.410 2.336 2.167 3.449 0.039 15 0 "[    .    1    .    2]" 1 
        775 1  62 TYR HA   1  63 THR MG   . . 4.750 3.538 3.203 3.937     .  0 0 "[    .    1    .    2]" 1 
        776 1  62 TYR HB2  1  63 THR H    . . 4.660 3.661 2.978 3.956     .  0 0 "[    .    1    .    2]" 1 
        777 1  62 TYR HB2  1  63 THR MG   . . 5.430 5.194 4.865 5.532 0.102 14 0 "[    .    1    .    2]" 1 
        778 1  62 TYR HB2  1  67 GLN H    . . 5.500 5.364 4.898 5.555 0.055  4 0 "[    .    1    .    2]" 1 
        779 1  62 TYR HB2  1  68 ILE H    . . 4.580 3.344 3.190 3.511     .  0 0 "[    .    1    .    2]" 1 
        780 1  62 TYR HB2  1  68 ILE HA   . . 4.030 3.190 2.970 3.466     .  0 0 "[    .    1    .    2]" 1 
        781 1  62 TYR HB2  1  68 ILE HB   . . 4.370 4.311 4.183 4.444 0.074 15 0 "[    .    1    .    2]" 1 
        782 1  62 TYR HB2  1  68 ILE QG   . . 4.190 4.280 4.265 4.298 0.108  1 0 "[    .    1    .    2]" 1 
        783 1  62 TYR HB2  1  68 ILE MG   . . 3.970 1.928 1.904 1.977     .  0 0 "[    .    1    .    2]" 1 
        784 1  62 TYR HB3  1  63 THR H    . . 3.970 2.811 2.337 3.866     .  0 0 "[    .    1    .    2]" 1 
        785 1  62 TYR HB3  1  64 ASN H    . . 3.870 3.397 2.794 3.915 0.045  4 0 "[    .    1    .    2]" 1 
        786 1  62 TYR HB3  1  67 GLN H    . . 4.900 4.867 4.440 4.976 0.076 11 0 "[    .    1    .    2]" 1 
        787 1  62 TYR HB3  1  67 GLN HB2  . . 3.710 3.079 2.438 3.371     .  0 0 "[    .    1    .    2]" 1 
        788 1  62 TYR HB3  1  67 GLN HB3  . . 3.700 2.190 2.057 2.487     .  0 0 "[    .    1    .    2]" 1 
        789 1  62 TYR HB3  1  67 GLN HE21 . . 3.450 3.025 1.923 3.517 0.067 18 0 "[    .    1    .    2]" 1 
        790 1  62 TYR HB3  1  67 GLN HE22 . . 3.590 3.567 3.079 3.672 0.082 20 0 "[    .    1    .    2]" 1 
        791 1  62 TYR HB3  1  68 ILE HA   . . 4.610 4.505 4.176 4.679 0.069 15 0 "[    .    1    .    2]" 1 
        792 1  62 TYR HB3  1  68 ILE MG   . . 4.460 3.064 2.907 3.239     .  0 0 "[    .    1    .    2]" 1 
        793 1  62 TYR HB3  1  71 TRP HD1  . . 4.460 4.309 3.968 4.525 0.065  8 0 "[    .    1    .    2]" 1 
        794 1  62 TYR QD   1  63 THR H    . . 4.460 4.034 3.756 4.509 0.049 15 0 "[    .    1    .    2]" 1 
        795 1  62 TYR QD   1  67 GLN HB2  . . 4.770 4.542 4.164 4.832 0.062 10 0 "[    .    1    .    2]" 1 
        796 1  62 TYR QD   1  67 GLN HB3  . . 4.110 3.373 3.142 3.611     .  0 0 "[    .    1    .    2]" 1 
        797 1  62 TYR QD   1  67 GLN HE21 . . 4.820 2.347 1.802 3.322     .  0 0 "[    .    1    .    2]" 1 
        798 1  62 TYR QD   1  68 ILE H    . . 4.950 4.368 4.030 4.581     .  0 0 "[    .    1    .    2]" 1 
        799 1  62 TYR QD   1  68 ILE HA   . . 3.890 2.710 2.198 2.995     .  0 0 "[    .    1    .    2]" 1 
        800 1  62 TYR QD   1  68 ILE QG   . . 5.230 5.221 4.887 5.336 0.106  9 0 "[    .    1    .    2]" 1 
        801 1  62 TYR QD   1  68 ILE MG   . . 4.990 2.806 2.407 3.006     .  0 0 "[    .    1    .    2]" 1 
        802 1  62 TYR QD   1  71 TRP QB   . . 4.750 3.106 2.839 3.452     .  0 0 "[    .    1    .    2]" 1 
        803 1  62 TYR QD   1  71 TRP HE1  . . 5.500 4.493 4.079 4.872     .  0 0 "[    .    1    .    2]" 1 
        804 1  62 TYR QE   1  67 GLN HB3  . . 4.970 4.641 4.327 5.051 0.081  5 0 "[    .    1    .    2]" 1 
        805 1  62 TYR QE   1  67 GLN HE21 . . 4.970 3.347 2.687 5.061 0.091 15 0 "[    .    1    .    2]" 1 
        806 1  62 TYR QE   1  67 GLN HE22 . . 4.940 4.019 3.253 4.721     .  0 0 "[    .    1    .    2]" 1 
        807 1  62 TYR QE   1  67 GLN HG3  . . 5.500 5.627 5.439 6.244 0.744 19 2 "[    .    1    -   +2]" 1 
        808 1  62 TYR QE   1  68 ILE HA   . . 4.810 4.521 3.962 4.882 0.072 14 0 "[    .    1    .    2]" 1 
        809 1  62 TYR QE   1  68 ILE MG   . . 5.500 4.836 4.519 5.023     .  0 0 "[    .    1    .    2]" 1 
        810 1  62 TYR QE   1  71 TRP H    . . 5.380 5.072 4.802 5.420 0.040 12 0 "[    .    1    .    2]" 1 
        811 1  62 TYR QE   1  71 TRP QB   . . 3.900 2.451 2.241 2.813     .  0 0 "[    .    1    .    2]" 1 
        812 1  62 TYR QE   1  71 TRP HD1  . . 4.230 3.325 3.008 3.692     .  0 0 "[    .    1    .    2]" 1 
        813 1  62 TYR QE   1  71 TRP HE1  . . 4.550 3.663 3.105 4.089     .  0 0 "[    .    1    .    2]" 1 
        814 1  62 TYR QE   1  71 TRP HE3  . . 5.140 4.744 4.387 5.010     .  0 0 "[    .    1    .    2]" 1 
        815 1  62 TYR QE   1  71 TRP HZ2  . . 5.500 5.018 4.544 5.445     .  0 0 "[    .    1    .    2]" 1 
        816 1  63 THR H    1  63 THR MG   . . 4.120 2.414 1.782 3.367     .  0 0 "[    .    1    .    2]" 1 
        817 1  63 THR H    1  64 ASN H    . . 3.930 2.315 1.967 3.275     .  0 0 "[    .    1    .    2]" 1 
        818 1  63 THR HA   1  63 THR MG   . . 3.020 2.682 2.214 3.148 0.128 19 0 "[    .    1    .    2]" 1 
        819 1  63 THR HA   1  68 ILE MG   . . 3.800 3.591 3.095 3.881 0.081  4 0 "[    .    1    .    2]" 1 
        820 1  63 THR HB   1  64 ASN H    . . 5.160 3.840 2.853 4.490     .  0 0 "[    .    1    .    2]" 1 
        821 1  63 THR MG   1  64 ASN H    . . 4.330 3.255 1.988 4.242     .  0 0 "[    .    1    .    2]" 1 
        822 1  63 THR MG   1  64 ASN HA   . . 5.500 4.697 3.671 5.561 0.061  3 0 "[    .    1    .    2]" 1 
        823 1  64 ASN H    1  64 ASN QB   . . 3.230 2.274 2.006 2.618     .  0 0 "[    .    1    .    2]" 1 
        824 1  64 ASN H    1  67 GLN HB2  . . 5.050 3.507 2.890 3.952     .  0 0 "[    .    1    .    2]" 1 
        825 1  64 ASN H    1  67 GLN HB3  . . 5.410 4.263 3.731 4.630     .  0 0 "[    .    1    .    2]" 1 
        826 1  64 ASN H    1  68 ILE MG   . . 5.500 3.950 3.091 4.483     .  0 0 "[    .    1    .    2]" 1 
        827 1  64 ASN HA   1  64 ASN HD21 . . 4.740 3.790 2.659 4.427     .  0 0 "[    .    1    .    2]" 1 
        828 1  64 ASN HA   1  64 ASN HD22 . . 4.540 4.151 3.600 4.598 0.058 16 0 "[    .    1    .    2]" 1 
        829 1  64 ASN HA   1  65 PRO HB3  . . 4.800 4.833 4.691 4.882 0.082 12 0 "[    .    1    .    2]" 1 
        830 1  64 ASN HA   1  65 PRO HD2  . . 3.420 2.379 2.161 2.636     .  0 0 "[    .    1    .    2]" 1 
        831 1  64 ASN HA   1  65 PRO HD3  . . 3.750 2.397 2.270 2.559     .  0 0 "[    .    1    .    2]" 1 
        832 1  64 ASN HA   1  65 PRO HG2  . . 5.070 4.540 4.383 4.662     .  0 0 "[    .    1    .    2]" 1 
        833 1  64 ASN HA   1  66 GLU H    . . 4.400 4.323 4.165 4.463 0.063  8 0 "[    .    1    .    2]" 1 
        834 1  64 ASN HA   1  67 GLN H    . . 5.020 4.664 4.535 4.884     .  0 0 "[    .    1    .    2]" 1 
        835 1  64 ASN HA   1  67 GLN HB2  . . 4.920 4.719 4.424 4.994 0.074 12 0 "[    .    1    .    2]" 1 
        836 1  64 ASN HA   1  68 ILE MG   . . 5.430 4.884 4.635 5.224     .  0 0 "[    .    1    .    2]" 1 
        837 1  64 ASN QB   1  67 GLN H    . . 3.820 2.521 2.211 2.832     .  0 0 "[    .    1    .    2]" 1 
        838 1  64 ASN QB   1  67 GLN HA   . . 5.300 4.581 4.347 4.888     .  0 0 "[    .    1    .    2]" 1 
        839 1  64 ASN QB   1  67 GLN HB2  . . 3.690 2.273 2.072 2.609     .  0 0 "[    .    1    .    2]" 1 
        840 1  64 ASN QB   1  67 GLN HB3  . . 3.910 3.721 3.349 3.983 0.073  4 0 "[    .    1    .    2]" 1 
        841 1  64 ASN QB   1  67 GLN HG3  . . 4.220 3.863 3.131 4.308 0.088  7 0 "[    .    1    .    2]" 1 
        842 1  64 ASN QB   1  68 ILE H    . . 4.360 4.010 3.663 4.342     .  0 0 "[    .    1    .    2]" 1 
        843 1  64 ASN HD21 1  65 PRO HD2  . . 5.500 3.391 2.281 5.030     .  0 0 "[    .    1    .    2]" 1 
        844 1  64 ASN HD21 1  66 GLU QB   . . 5.410 4.261 3.317 5.496 0.086 10 0 "[    .    1    .    2]" 1 
        845 1  65 PRO HA   1  68 ILE H    . . 4.030 3.705 3.548 3.828     .  0 0 "[    .    1    .    2]" 1 
        846 1  65 PRO HA   1  68 ILE QG   . . 4.000 2.083 1.957 2.217     .  0 0 "[    .    1    .    2]" 1 
        847 1  65 PRO HA   1  68 ILE MG   . . 4.170 3.890 3.748 4.127     .  0 0 "[    .    1    .    2]" 1 
        848 1  65 PRO HA   1  69 LYS H    . . 4.440 3.864 3.587 4.082     .  0 0 "[    .    1    .    2]" 1 
        849 1  65 PRO HB3  1  66 GLU H    . . 4.110 4.146 4.032 4.191 0.081  9 0 "[    .    1    .    2]" 1 
        850 1  65 PRO HB3  1  68 ILE QG   . . 5.220 3.978 3.780 4.251     .  0 0 "[    .    1    .    2]" 1 
        851 1  65 PRO HD2  1  66 GLU H    . . 4.550 2.821 2.637 2.967     .  0 0 "[    .    1    .    2]" 1 
        852 1  65 PRO HG2  1  66 GLU H    . . 3.000 2.284 2.077 2.664     .  0 0 "[    .    1    .    2]" 1 
        853 1  66 GLU H    1  66 GLU QG   . . 3.600 2.528 1.908 3.704 0.104 14 0 "[    .    1    .    2]" 1 
        854 1  66 GLU H    1  67 GLN H    . . 3.150 2.775 2.476 2.903     .  0 0 "[    .    1    .    2]" 1 
        855 1  66 GLU H    1  68 ILE H    . . 4.930 4.553 4.387 4.745     .  0 0 "[    .    1    .    2]" 1 
        856 1  66 GLU QB   1  67 GLN H    . . 3.540 2.829 2.241 3.574 0.034 16 0 "[    .    1    .    2]" 1 
        857 1  67 GLN H    1  67 GLN HB2  . . 3.080 2.068 2.011 2.173     .  0 0 "[    .    1    .    2]" 1 
        858 1  67 GLN H    1  67 GLN HB3  . . 3.250 3.275 3.110 3.342 0.092 15 0 "[    .    1    .    2]" 1 
        859 1  67 GLN H    1  67 GLN HG3  . . 3.790 3.443 2.821 3.866 0.076  5 0 "[    .    1    .    2]" 1 
        860 1  67 GLN H    1  68 ILE H    . . 3.520 2.795 2.556 3.018     .  0 0 "[    .    1    .    2]" 1 
        861 1  67 GLN H    1  68 ILE HA   . . 5.500 5.331 5.139 5.488     .  0 0 "[    .    1    .    2]" 1 
        862 1  67 GLN H    1  68 ILE MD   . . 5.500 5.386 4.805 5.584 0.084  8 0 "[    .    1    .    2]" 1 
        863 1  67 GLN H    1  68 ILE QG   . . 5.150 4.041 3.638 4.263     .  0 0 "[    .    1    .    2]" 1 
        864 1  67 GLN H    1  68 ILE MG   . . 5.180 4.497 4.230 4.719     .  0 0 "[    .    1    .    2]" 1 
        865 1  67 GLN HA   1  67 GLN HE21 . . 5.500 4.812 4.578 5.122     .  0 0 "[    .    1    .    2]" 1 
        866 1  67 GLN HA   1  67 GLN HG3  . . 3.550 2.412 2.215 2.919     .  0 0 "[    .    1    .    2]" 1 
        867 1  67 GLN HA   1  70 GLN H    . . 3.660 3.603 3.273 3.729 0.069 18 0 "[    .    1    .    2]" 1 
        868 1  67 GLN HA   1  71 TRP H    . . 4.530 3.478 3.169 3.675     .  0 0 "[    .    1    .    2]" 1 
        869 1  67 GLN HA   1  71 TRP HD1  . . 3.450 2.969 2.627 3.326     .  0 0 "[    .    1    .    2]" 1 
        870 1  67 GLN HA   1  71 TRP HE1  . . 5.160 4.158 3.781 4.548     .  0 0 "[    .    1    .    2]" 1 
        871 1  67 GLN HB2  1  68 ILE H    . . 3.930 2.924 2.626 3.196     .  0 0 "[    .    1    .    2]" 1 
        872 1  67 GLN HB2  1  68 ILE HA   . . 5.170 5.045 4.741 5.239 0.069 10 0 "[    .    1    .    2]" 1 
        873 1  67 GLN HB2  1  68 ILE MG   . . 5.190 3.999 3.675 4.317     .  0 0 "[    .    1    .    2]" 1 
        874 1  67 GLN HB3  1  68 ILE H    . . 3.880 2.728 2.457 3.024     .  0 0 "[    .    1    .    2]" 1 
        875 1  67 GLN HB3  1  71 TRP HD1  . . 3.250 2.886 2.179 3.286 0.036  5 0 "[    .    1    .    2]" 1 
        876 1  67 GLN HB3  1  71 TRP HE1  . . 4.620 4.384 3.766 4.688 0.068  5 0 "[    .    1    .    2]" 1 
        877 1  67 GLN HE21 1  71 TRP HD1  . . 5.120 4.060 3.275 4.965     .  0 0 "[    .    1    .    2]" 1 
        878 1  67 GLN HE21 1  71 TRP HE1  . . 5.480 3.725 2.482 5.002     .  0 0 "[    .    1    .    2]" 1 
        879 1  67 GLN HE22 1  71 TRP HE1  . . 5.360 4.864 3.997 5.435 0.075 20 0 "[    .    1    .    2]" 1 
        880 1  67 GLN HG2  1  71 TRP HD1  . . 3.830 2.397 2.136 2.584     .  0 0 "[    .    1    .    2]" 1 
        881 1  67 GLN HG2  1  71 TRP HE1  . . 5.090 2.433 2.119 2.687     .  0 0 "[    .    1    .    2]" 1 
        882 1  67 GLN HG3  1  68 ILE H    . . 4.860 4.906 4.812 4.947 0.087 12 0 "[    .    1    .    2]" 1 
        883 1  67 GLN HG3  1  71 TRP HD1  . . 3.810 3.798 3.346 3.933 0.123 15 0 "[    .    1    .    2]" 1 
        884 1  67 GLN HG3  1  71 TRP HE1  . . 5.200 3.674 2.989 4.035     .  0 0 "[    .    1    .    2]" 1 
        885 1  68 ILE H    1  68 ILE HB   . . 3.610 3.672 3.653 3.690 0.080 10 0 "[    .    1    .    2]" 1 
        886 1  68 ILE H    1  68 ILE MD   . . 4.210 3.761 3.444 3.928     .  0 0 "[    .    1    .    2]" 1 
        887 1  68 ILE H    1  68 ILE QG   . . 3.760 2.183 2.072 2.335     .  0 0 "[    .    1    .    2]" 1 
        888 1  68 ILE H    1  68 ILE MG   . . 3.750 2.269 2.167 2.375     .  0 0 "[    .    1    .    2]" 1 
        889 1  68 ILE H    1  69 LYS H    . . 3.570 2.899 2.817 2.998     .  0 0 "[    .    1    .    2]" 1 
        890 1  68 ILE H    1  69 LYS HA   . . 5.500 5.458 5.411 5.525 0.025  9 0 "[    .    1    .    2]" 1 
        891 1  68 ILE H    1  70 GLN H    . . 4.770 4.512 4.395 4.638     .  0 0 "[    .    1    .    2]" 1 
        892 1  68 ILE H    1  71 TRP HD1  . . 5.500 4.610 4.424 4.840     .  0 0 "[    .    1    .    2]" 1 
        893 1  68 ILE HA   1  68 ILE MD   . . 3.650 3.742 3.720 3.753 0.103  9 0 "[    .    1    .    2]" 1 
        894 1  68 ILE HA   1  68 ILE QG   . . 3.610 3.437 3.376 3.544     .  0 0 "[    .    1    .    2]" 1 
        895 1  68 ILE HA   1  70 GLN H    . . 5.500 4.779 4.593 4.976     .  0 0 "[    .    1    .    2]" 1 
        896 1  68 ILE HA   1  71 TRP H    . . 4.690 4.008 3.829 4.206     .  0 0 "[    .    1    .    2]" 1 
        897 1  68 ILE HA   1  71 TRP HD1  . . 4.520 4.080 3.783 4.361     .  0 0 "[    .    1    .    2]" 1 
        898 1  68 ILE HA   1  72 ARG H    . . 4.890 3.793 3.647 3.996     .  0 0 "[    .    1    .    2]" 1 
        899 1  68 ILE MD   1  69 LYS H    . . 3.380 2.587 2.153 2.884     .  0 0 "[    .    1    .    2]" 1 
        900 1  68 ILE QG   1  68 ILE MG   . . 3.310 2.041 2.009 2.076     .  0 0 "[    .    1    .    2]" 1 
        901 1  68 ILE MG   1  69 LYS H    . . 4.750 4.134 4.047 4.231     .  0 0 "[    .    1    .    2]" 1 
        902 1  69 LYS H    1  69 LYS QB   . . 2.910 2.274 2.134 2.449     .  0 0 "[    .    1    .    2]" 1 
        903 1  69 LYS H    1  70 GLN H    . . 3.780 2.747 2.537 2.858     .  0 0 "[    .    1    .    2]" 1 
        904 1  69 LYS HA   1  72 ARG H    . . 4.340 3.675 3.381 4.018     .  0 0 "[    .    1    .    2]" 1 
        905 1  70 GLN H    1  70 GLN HB2  . . 2.780 2.403 2.316 2.554     .  0 0 "[    .    1    .    2]" 1 
        906 1  70 GLN H    1  71 TRP H    . . 3.500 2.783 2.575 2.928     .  0 0 "[    .    1    .    2]" 1 
        907 1  70 GLN H    1  71 TRP QB   . . 4.940 4.698 4.497 4.833     .  0 0 "[    .    1    .    2]" 1 
        908 1  70 GLN H    1  71 TRP HD1  . . 5.420 5.193 4.949 5.400     .  0 0 "[    .    1    .    2]" 1 
        909 1  70 GLN H    1  72 ARG H    . . 4.600 4.032 3.847 4.175     .  0 0 "[    .    1    .    2]" 1 
        910 1  70 GLN HA   1  70 GLN HB2  . . 2.840 2.539 2.456 2.583     .  0 0 "[    .    1    .    2]" 1 
        911 1  70 GLN HA   1  70 GLN HE21 . . 4.430 3.607 2.451 4.314     .  0 0 "[    .    1    .    2]" 1 
        912 1  70 GLN HA   1  70 GLN HE22 . . 5.500 4.340 3.308 5.595 0.095  4 0 "[    .    1    .    2]" 1 
        913 1  70 GLN HB3  1  71 TRP H    . . 3.260 2.439 2.293 2.611     .  0 0 "[    .    1    .    2]" 1 
        914 1  70 GLN HB3  1  71 TRP HD1  . . 4.540 4.285 3.848 4.587 0.047  3 0 "[    .    1    .    2]" 1 
        915 1  70 GLN HB3  1  72 ARG H    . . 4.830 4.889 4.814 4.912 0.082  3 0 "[    .    1    .    2]" 1 
        916 1  70 GLN HB3  1  74 ASN QD   . . 4.410 3.917 3.618 4.355     .  0 0 "[    .    1    .    2]" 1 
        917 1  70 GLN HE21 1  74 ASN H    . . 5.500 4.292 3.260 5.238     .  0 0 "[    .    1    .    2]" 1 
        918 1  70 GLN HE21 1  74 ASN HB3  . . 5.500 5.137 4.593 6.016 0.516 15 1 "[    .    1    +    2]" 1 
        919 1  70 GLN HE21 1  74 ASN QD   . . 5.110 2.717 1.898 3.470     .  0 0 "[    .    1    .    2]" 1 
        920 1  70 GLN HG3  1  74 ASN QD   . . 4.390 2.679 1.903 4.158     .  0 0 "[    .    1    .    2]" 1 
        921 1  71 TRP H    1  71 TRP QB   . . 3.290 2.336 2.292 2.386     .  0 0 "[    .    1    .    2]" 1 
        922 1  71 TRP H    1  71 TRP HD1  . . 3.420 3.234 3.093 3.373     .  0 0 "[    .    1    .    2]" 1 
        923 1  71 TRP H    1  71 TRP HE1  . . 5.250 5.147 4.907 5.295 0.045 20 0 "[    .    1    .    2]" 1 
        924 1  71 TRP H    1  72 ARG H    . . 3.440 2.727 2.636 2.821     .  0 0 "[    .    1    .    2]" 1 
        925 1  71 TRP HA   1  71 TRP HE1  . . 5.500 5.537 5.416 5.578 0.078 17 0 "[    .    1    .    2]" 1 
        926 1  71 TRP HA   1  71 TRP HE3  . . 3.160 2.397 2.282 2.532     .  0 0 "[    .    1    .    2]" 1 
        927 1  71 TRP HA   1  71 TRP HZ3  . . 4.570 4.592 4.461 4.639 0.069 20 0 "[    .    1    .    2]" 1 
        928 1  71 TRP HA   1  74 ASN H    . . 3.690 3.087 2.910 3.214     .  0 0 "[    .    1    .    2]" 1 
        929 1  71 TRP HA   1  74 ASN HB3  . . 4.430 3.702 2.522 3.920     .  0 0 "[    .    1    .    2]" 1 
        930 1  71 TRP HA   1  74 ASN QD   . . 4.210 2.840 2.252 3.623     .  0 0 "[    .    1    .    2]" 1 
        931 1  71 TRP HA   1  75 LEU QD   . . 4.340 3.406 2.889 4.321     .  0 0 "[    .    1    .    2]" 1 
        932 1  71 TRP QB   1  71 TRP HD1  . . 3.390 2.541 2.485 2.611     .  0 0 "[    .    1    .    2]" 1 
        933 1  71 TRP QB   1  71 TRP HE3  . . 3.450 2.804 2.603 2.884     .  0 0 "[    .    1    .    2]" 1 
        934 1  71 TRP QB   1  72 ARG H    . . 4.110 2.822 2.678 2.990     .  0 0 "[    .    1    .    2]" 1 
        935 1  71 TRP QB   1  74 ASN H    . . 5.230 4.746 4.644 4.856     .  0 0 "[    .    1    .    2]" 1 
        936 1  71 TRP QB   1  75 LEU H    . . 5.200 4.188 3.962 4.269     .  0 0 "[    .    1    .    2]" 1 
        937 1  71 TRP HD1  1  72 ARG H    . . 5.190 5.159 5.015 5.253 0.063 19 0 "[    .    1    .    2]" 1 
        938 1  71 TRP HE3  1  74 ASN HB2  . . 3.980 2.501 2.230 3.374     .  0 0 "[    .    1    .    2]" 1 
        939 1  71 TRP HE3  1  74 ASN HB3  . . 3.900 3.211 2.179 3.552     .  0 0 "[    .    1    .    2]" 1 
        940 1  71 TRP HE3  1  74 ASN QD   . . 4.620 3.063 2.410 4.041     .  0 0 "[    .    1    .    2]" 1 
        941 1  71 TRP HE3  1  75 LEU H    . . 4.790 3.748 3.354 3.875     .  0 0 "[    .    1    .    2]" 1 
        942 1  71 TRP HE3  1  75 LEU QD   . . 3.260 2.388 2.048 3.183     .  0 0 "[    .    1    .    2]" 1 
        943 1  71 TRP HH2  1  74 ASN QD   . . 5.340 4.444 3.675 4.911     .  0 0 "[    .    1    .    2]" 1 
        944 1  71 TRP HZ2  1  74 ASN QD   . . 5.350 4.851 4.083 5.238     .  0 0 "[    .    1    .    2]" 1 
        945 1  71 TRP HZ3  1  74 ASN HB2  . . 3.840 3.916 3.634 4.560 0.720 13 1 "[    .    1  + .    2]" 1 
        946 1  71 TRP HZ3  1  74 ASN HB3  . . 4.740 3.477 3.109 3.804     .  0 0 "[    .    1    .    2]" 1 
        947 1  71 TRP HZ3  1  74 ASN QD   . . 5.140 3.559 2.926 4.032     .  0 0 "[    .    1    .    2]" 1 
        948 1  71 TRP HZ3  1  75 LEU H    . . 5.500 5.445 5.023 5.564 0.064 20 0 "[    .    1    .    2]" 1 
        949 1  71 TRP HZ3  1  75 LEU QD   . . 3.430 3.235 3.005 3.555 0.125  2 0 "[    .    1    .    2]" 1 
        950 1  72 ARG H    1  72 ARG QB   . . 3.360 2.306 2.175 2.596     .  0 0 "[    .    1    .    2]" 1 
        951 1  72 ARG H    1  73 LYS H    . . 3.600 2.911 2.724 3.051     .  0 0 "[    .    1    .    2]" 1 
        952 1  72 ARG HA   1  75 LEU H    . . 4.740 4.169 3.722 4.557     .  0 0 "[    .    1    .    2]" 1 
        953 1  72 ARG HA   1  76 TRP H    . . 4.840 4.500 4.085 4.868 0.028 13 0 "[    .    1    .    2]" 1 
        954 1  72 ARG HA   1  76 TRP HD1  . . 4.590 4.189 3.673 4.491     .  0 0 "[    .    1    .    2]" 1 
        955 1  72 ARG HA   1  76 TRP HE1  . . 5.500 5.249 4.905 5.565 0.065  2 0 "[    .    1    .    2]" 1 
        956 1  73 LYS H    1  73 LYS QB   . . 3.100 2.458 2.089 2.801     .  0 0 "[    .    1    .    2]" 1 
        957 1  73 LYS H    1  73 LYS QD   . . 4.470 3.878 2.777 4.528 0.058 13 0 "[    .    1    .    2]" 1 
        958 1  73 LYS H    1  74 ASN H    . . 3.070 2.570 2.048 2.852     .  0 0 "[    .    1    .    2]" 1 
        959 1  73 LYS H    1  75 LEU H    . . 4.750 4.374 3.862 4.695     .  0 0 "[    .    1    .    2]" 1 
        960 1  73 LYS H    1  76 TRP H    . . 5.500 4.996 4.799 5.143     .  0 0 "[    .    1    .    2]" 1 
        961 1  73 LYS H    1  76 TRP HB2  . . 5.030 5.101 5.030 5.116 0.086 12 0 "[    .    1    .    2]" 1 
        962 1  73 LYS QB   1  73 LYS QE   . . 3.890 3.123 2.039 3.899 0.009  7 0 "[    .    1    .    2]" 1 
        963 1  74 ASN H    1  74 ASN HB2  . . 3.560 2.504 2.130 2.612     .  0 0 "[    .    1    .    2]" 1 
        964 1  74 ASN H    1  74 ASN HB3  . . 3.700 3.597 3.181 3.634     .  0 0 "[    .    1    .    2]" 1 
        965 1  74 ASN H    1  74 ASN QD   . . 4.830 3.841 3.673 4.092     .  0 0 "[    .    1    .    2]" 1 
        966 1  74 ASN H    1  75 LEU H    . . 3.720 2.998 2.920 3.063     .  0 0 "[    .    1    .    2]" 1 
        967 1  74 ASN H    1  76 TRP H    . . 5.410 4.506 4.303 4.691     .  0 0 "[    .    1    .    2]" 1 
        968 1  74 ASN H    1  76 TRP HB2  . . 5.500 5.238 5.112 5.369     .  0 0 "[    .    1    .    2]" 1 
        969 1  74 ASN H    1  77 ILE MD   . . 5.140 3.858 3.276 4.136     .  0 0 "[    .    1    .    2]" 1 
        970 1  74 ASN HA   1  74 ASN HB2  . . 2.820 3.021 2.737 3.053 0.233  4 0 "[    .    1    .    2]" 1 
        971 1  74 ASN HA   1  77 ILE H    . . 4.060 3.521 3.333 3.739     .  0 0 "[    .    1    .    2]" 1 
        972 1  74 ASN HA   1  77 ILE MD   . . 3.340 2.538 2.134 2.941     .  0 0 "[    .    1    .    2]" 1 
        973 1  74 ASN HA   1  78 PHE H    . . 4.950 3.971 3.827 4.215     .  0 0 "[    .    1    .    2]" 1 
        974 1  74 ASN HB2  1  75 LEU H    . . 4.000 2.695 2.358 3.459     .  0 0 "[    .    1    .    2]" 1 
        975 1  74 ASN HB3  1  75 LEU H    . . 3.820 3.461 2.663 3.722     .  0 0 "[    .    1    .    2]" 1 
        976 1  74 ASN QD   1  75 LEU H    . . 5.500 4.894 4.536 5.256     .  0 0 "[    .    1    .    2]" 1 
        977 1  75 LEU H    1  75 LEU HB2  . . 3.590 2.293 2.191 2.510     .  0 0 "[    .    1    .    2]" 1 
        978 1  75 LEU H    1  75 LEU HB3  . . 3.960 3.544 3.482 3.662     .  0 0 "[    .    1    .    2]" 1 
        979 1  75 LEU H    1  76 TRP H    . . 3.680 2.789 2.619 2.885     .  0 0 "[    .    1    .    2]" 1 
        980 1  75 LEU H    1  77 ILE H    . . 5.290 4.145 3.989 4.325     .  0 0 "[    .    1    .    2]" 1 
        981 1  75 LEU HA   1  78 PHE H    . . 4.090 3.422 3.296 3.619     .  0 0 "[    .    1    .    2]" 1 
        982 1  75 LEU HA   1  78 PHE HB3  . . 4.800 2.586 2.318 2.790     .  0 0 "[    .    1    .    2]" 1 
        983 1  75 LEU HA   1  78 PHE QD   . . 4.020 4.002 3.792 4.114 0.094 11 0 "[    .    1    .    2]" 1 
        984 1  75 LEU HB2  1  76 TRP H    . . 3.390 2.763 2.511 3.005     .  0 0 "[    .    1    .    2]" 1 
        985 1  76 TRP H    1  76 TRP HB2  . . 3.470 2.252 2.186 2.352     .  0 0 "[    .    1    .    2]" 1 
        986 1  76 TRP H    1  76 TRP HB3  . . 3.600 3.521 3.477 3.587     .  0 0 "[    .    1    .    2]" 1 
        987 1  76 TRP H    1  76 TRP HD1  . . 3.970 3.565 3.204 3.863     .  0 0 "[    .    1    .    2]" 1 
        988 1  76 TRP H    1  76 TRP HE1  . . 5.500 5.392 5.133 5.541 0.041 16 0 "[    .    1    .    2]" 1 
        989 1  76 TRP H    1  76 TRP HE3  . . 4.790 4.839 4.773 4.865 0.075 20 0 "[    .    1    .    2]" 1 
        990 1  76 TRP H    1  77 ILE H    . . 3.600 2.842 2.712 2.973     .  0 0 "[    .    1    .    2]" 1 
        991 1  76 TRP H    1  77 ILE MD   . . 5.500 5.205 5.029 5.334     .  0 0 "[    .    1    .    2]" 1 
        992 1  76 TRP H    1  78 PHE H    . . 5.080 4.304 4.163 4.615     .  0 0 "[    .    1    .    2]" 1 
        993 1  76 TRP HA   1  76 TRP HE3  . . 3.200 2.252 2.157 2.366     .  0 0 "[    .    1    .    2]" 1 
        994 1  76 TRP HA   1  78 PHE H    . . 5.240 4.520 4.358 4.708     .  0 0 "[    .    1    .    2]" 1 
        995 1  76 TRP HA   1  79 VAL H    . . 3.920 3.519 3.295 3.624     .  0 0 "[    .    1    .    2]" 1 
        996 1  76 TRP HA   1  79 VAL HB   . . 3.460 3.019 2.586 3.510 0.050 17 0 "[    .    1    .    2]" 1 
        997 1  76 TRP HA   1  79 VAL MG2  . . 3.680 3.468 2.927 3.744 0.064  1 0 "[    .    1    .    2]" 1 
        998 1  76 TRP HA   1  87 ALA MB   . . 5.320 4.221 3.970 4.828     .  0 0 "[    .    1    .    2]" 1 
        999 1  76 TRP HB2  1  77 ILE H    . . 4.240 2.952 2.709 3.141     .  0 0 "[    .    1    .    2]" 1 
       1000 1  76 TRP HB2  1  77 ILE MD   . . 4.900 4.780 4.512 4.978 0.078 12 0 "[    .    1    .    2]" 1 
       1001 1  76 TRP HB3  1  76 TRP HE3  . . 3.800 3.098 2.838 3.276     .  0 0 "[    .    1    .    2]" 1 
       1002 1  76 TRP HB3  1  77 ILE H    . . 4.270 3.470 3.247 3.712     .  0 0 "[    .    1    .    2]" 1 
       1003 1  76 TRP HB3  1  87 ALA MB   . . 3.930 2.354 2.056 2.928     .  0 0 "[    .    1    .    2]" 1 
       1004 1  76 TRP HE1  1  94 TYR QE   . . 5.500 5.471 5.123 5.584 0.084  3 0 "[    .    1    .    2]" 1 
       1005 1  76 TRP HE3  1  79 VAL HB   . . 3.470 3.160 2.581 3.534 0.064 20 0 "[    .    1    .    2]" 1 
       1006 1  76 TRP HH2  1  91 HIS H    . . 5.290 5.300 5.058 5.360 0.070 10 0 "[    .    1    .    2]" 1 
       1007 1  76 TRP HH2  1  94 TYR H    . . 4.440 4.221 3.885 4.464 0.024  7 0 "[    .    1    .    2]" 1 
       1008 1  76 TRP HH2  1  94 TYR HB2  . . 3.360 2.219 2.105 2.365     .  0 0 "[    .    1    .    2]" 1 
       1009 1  76 TRP HH2  1  94 TYR QD   . . 3.930 3.515 3.227 3.731     .  0 0 "[    .    1    .    2]" 1 
       1010 1  76 TRP HH2  1  94 TYR QE   . . 5.140 4.945 4.603 5.205 0.065 16 0 "[    .    1    .    2]" 1 
       1011 1  76 TRP HH2  1  95 LYS H    . . 5.500 5.422 5.114 5.577 0.077 12 0 "[    .    1    .    2]" 1 
       1012 1  76 TRP HZ2  1  94 TYR HB2  . . 3.630 3.602 3.406 3.697 0.067  7 0 "[    .    1    .    2]" 1 
       1013 1  76 TRP HZ3  1  79 VAL HB   . . 4.390 4.255 3.570 4.469 0.079 19 0 "[    .    1    .    2]" 1 
       1014 1  76 TRP HZ3  1  90 LEU HA   . . 4.560 4.491 3.909 4.653 0.093  8 0 "[    .    1    .    2]" 1 
       1015 1  76 TRP HZ3  1  90 LEU MD1  . . 3.230 2.608 2.085 4.022 0.792 11 1 "[    .    1+   .    2]" 1 
       1016 1  76 TRP HZ3  1  90 LEU HG   . . 4.100 3.678 1.988 4.202 0.102 12 0 "[    .    1    .    2]" 1 
       1017 1  76 TRP HZ3  1  91 HIS H    . . 4.900 4.782 4.509 4.967 0.067 17 0 "[    .    1    .    2]" 1 
       1018 1  76 TRP HZ3  1  94 TYR HB2  . . 4.820 4.152 3.836 4.487     .  0 0 "[    .    1    .    2]" 1 
       1019 1  77 ILE H    1  77 ILE HB   . . 3.210 2.389 2.292 2.505     .  0 0 "[    .    1    .    2]" 1 
       1020 1  77 ILE H    1  77 ILE MD   . . 3.960 3.417 3.294 3.498     .  0 0 "[    .    1    .    2]" 1 
       1021 1  77 ILE H    1  77 ILE QG   . . 3.730 2.265 2.140 2.393     .  0 0 "[    .    1    .    2]" 1 
       1022 1  77 ILE H    1  77 ILE MG   . . 3.860 3.773 3.721 3.823     .  0 0 "[    .    1    .    2]" 1 
       1023 1  77 ILE H    1  78 PHE H    . . 3.550 2.607 2.481 2.750     .  0 0 "[    .    1    .    2]" 1 
       1024 1  77 ILE H    1  78 PHE HB2  . . 5.210 5.078 4.866 5.263 0.053  7 0 "[    .    1    .    2]" 1 
       1025 1  77 ILE H    1  78 PHE HB3  . . 5.310 4.753 4.583 4.861     .  0 0 "[    .    1    .    2]" 1 
       1026 1  77 ILE H    1  79 VAL H    . . 5.170 4.248 4.079 4.437     .  0 0 "[    .    1    .    2]" 1 
       1027 1  77 ILE H    1  87 ALA MB   . . 4.260 3.721 3.407 4.193     .  0 0 "[    .    1    .    2]" 1 
       1028 1  77 ILE HA   1  77 ILE MD   . . 3.850 3.857 3.788 3.913 0.063 12 0 "[    .    1    .    2]" 1 
       1029 1  77 ILE HA   1  77 ILE QG   . . 3.120 2.341 2.240 2.433     .  0 0 "[    .    1    .    2]" 1 
       1030 1  77 ILE HA   1  87 ALA H    . . 4.840 4.458 4.176 4.915 0.075  6 0 "[    .    1    .    2]" 1 
       1031 1  77 ILE HA   1  87 ALA MB   . . 3.440 2.585 2.138 3.168     .  0 0 "[    .    1    .    2]" 1 
       1032 1  77 ILE HB   1  77 ILE MD   . . 3.360 2.371 2.312 2.462     .  0 0 "[    .    1    .    2]" 1 
       1033 1  77 ILE HB   1  78 PHE H    . . 3.850 2.613 2.444 2.859     .  0 0 "[    .    1    .    2]" 1 
       1034 1  77 ILE MD   1  78 PHE H    . . 4.810 4.533 4.369 4.755     .  0 0 "[    .    1    .    2]" 1 
       1035 1  77 ILE QG   1  78 PHE H    . . 4.000 4.097 4.085 4.103 0.103  7 0 "[    .    1    .    2]" 1 
       1036 1  77 ILE QG   1  87 ALA MB   . . 3.490 2.725 2.416 3.218     .  0 0 "[    .    1    .    2]" 1 
       1037 1  77 ILE MG   1  78 PHE H    . . 3.730 3.305 3.033 3.683     .  0 0 "[    .    1    .    2]" 1 
       1038 1  78 PHE H    1  78 PHE HB2  . . 3.310 2.607 2.394 2.741     .  0 0 "[    .    1    .    2]" 1 
       1039 1  78 PHE H    1  78 PHE HB3  . . 3.400 2.552 2.492 2.642     .  0 0 "[    .    1    .    2]" 1 
       1040 1  78 PHE H    1  78 PHE QD   . . 4.220 4.263 4.171 4.301 0.081  9 0 "[    .    1    .    2]" 1 
       1041 1  78 PHE H    1  79 VAL H    . . 3.640 2.886 2.711 3.047     .  0 0 "[    .    1    .    2]" 1 
       1042 1  78 PHE H    1  81 LYS H    . . 5.500 5.327 4.977 5.567 0.067 15 0 "[    .    1    .    2]" 1 
       1043 1  78 PHE H    1  87 ALA MB   . . 5.500 5.254 4.826 5.591 0.091  6 0 "[    .    1    .    2]" 1 
       1044 1  78 PHE HA   1  78 PHE QD   . . 3.240 2.628 2.400 2.999     .  0 0 "[    .    1    .    2]" 1 
       1045 1  78 PHE HB2  1  79 VAL H    . . 4.060 3.915 3.770 4.002     .  0 0 "[    .    1    .    2]" 1 
       1046 1  78 PHE HB3  1  79 VAL H    . . 3.760 2.568 2.382 2.665     .  0 0 "[    .    1    .    2]" 1 
       1047 1  78 PHE QD   1  79 VAL H    . . 3.700 3.466 3.055 3.778 0.078 12 0 "[    .    1    .    2]" 1 
       1048 1  78 PHE QD   1  79 VAL HA   . . 3.740 3.743 3.052 3.838 0.098 20 0 "[    .    1    .    2]" 1 
       1049 1  78 PHE QD   1  79 VAL MG2  . . 3.650 2.687 2.379 3.362     .  0 0 "[    .    1    .    2]" 1 
       1050 1  79 VAL H    1  79 VAL HB   . . 3.320 2.509 2.349 2.663     .  0 0 "[    .    1    .    2]" 1 
       1051 1  79 VAL H    1  79 VAL MG2  . . 3.170 2.202 2.060 2.311     .  0 0 "[    .    1    .    2]" 1 
       1052 1  79 VAL H    1  81 LYS H    . . 4.260 4.301 4.164 4.341 0.081 17 0 "[    .    1    .    2]" 1 
       1053 1  79 VAL H    1  81 LYS QD   . . 5.350 5.255 4.734 5.440 0.090  2 0 "[    .    1    .    2]" 1 
       1054 1  79 VAL HA   1  79 VAL MG2  . . 3.090 2.315 2.227 2.407     .  0 0 "[    .    1    .    2]" 1 
       1055 1  79 VAL HA   1  81 LYS H    . . 3.960 3.792 3.441 4.030 0.070 18 0 "[    .    1    .    2]" 1 
       1056 1  79 VAL HA   1  83 THR MG   . . 4.390 4.413 4.221 4.496 0.106  1 0 "[    .    1    .    2]" 1 
       1057 1  79 VAL HB   1  80 SER H    . . 4.040 2.776 2.577 3.036     .  0 0 "[    .    1    .    2]" 1 
       1058 1  79 VAL HB   1  81 LYS H    . . 5.370 5.114 4.994 5.250     .  0 0 "[    .    1    .    2]" 1 
       1059 1  79 VAL MG2  1  80 SER H    . . 3.870 3.962 3.934 3.982 0.112 13 0 "[    .    1    .    2]" 1 
       1060 1  79 VAL MG2  1  81 LYS H    . . 5.360 5.233 5.073 5.415 0.055  2 0 "[    .    1    .    2]" 1 
       1061 1  80 SER H    1  80 SER QB   . . 3.730 2.323 2.009 2.847     .  0 0 "[    .    1    .    2]" 1 
       1062 1  80 SER H    1  81 LYS H    . . 3.580 2.991 2.818 3.108     .  0 0 "[    .    1    .    2]" 1 
       1063 1  80 SER H    1  87 ALA H    . . 5.500 5.262 4.833 5.572 0.072 19 0 "[    .    1    .    2]" 1 
       1064 1  80 SER H    1  87 ALA MB   . . 4.900 4.099 3.736 4.616     .  0 0 "[    .    1    .    2]" 1 
       1065 1  80 SER HA   1  90 LEU MD1  . . 4.260 3.144 2.122 5.235 0.975 13 2 "[   -.    1  + .    2]" 1 
       1066 1  80 SER QB   1  81 LYS H    . . 4.370 3.214 2.462 4.085     .  0 0 "[    .    1    .    2]" 1 
       1067 1  81 LYS H    1  81 LYS HB2  . . 3.590 2.509 2.218 3.665 0.075  4 0 "[    .    1    .    2]" 1 
       1068 1  81 LYS H    1  81 LYS QD   . . 3.500 2.990 2.333 3.577 0.077 20 0 "[    .    1    .    2]" 1 
       1069 1  81 LYS H    1  81 LYS HG3  . . 4.190 3.341 1.869 4.264 0.074 15 0 "[    .    1    .    2]" 1 
       1070 1  81 LYS H    1  82 PHE H    . . 3.270 2.420 2.074 2.672     .  0 0 "[    .    1    .    2]" 1 
       1071 1  81 LYS H    1  82 PHE HA   . . 5.500 5.152 4.870 5.320     .  0 0 "[    .    1    .    2]" 1 
       1072 1  81 LYS H    1  82 PHE HB2  . . 5.500 4.442 4.105 4.876     .  0 0 "[    .    1    .    2]" 1 
       1073 1  81 LYS H    1  82 PHE QD   . . 4.630 3.705 3.321 4.151     .  0 0 "[    .    1    .    2]" 1 
       1074 1  81 LYS HA   1  83 THR H    . . 4.480 3.964 3.443 4.552 0.072 10 0 "[    .    1    .    2]" 1 
       1075 1  81 LYS HB3  1  82 PHE H    . . 4.200 3.722 3.268 4.294 0.094  2 0 "[    .    1    .    2]" 1 
       1076 1  81 LYS QD   1  82 PHE H    . . 4.460 4.428 3.200 4.557 0.097 12 0 "[    .    1    .    2]" 1 
       1077 1  82 PHE H    1  82 PHE HB2  . . 3.490 2.338 2.051 2.635     .  0 0 "[    .    1    .    2]" 1 
       1078 1  82 PHE H    1  82 PHE HB3  . . 3.670 3.576 3.402 3.736 0.066 13 0 "[    .    1    .    2]" 1 
       1079 1  82 PHE H    1  82 PHE QD   . . 3.190 2.404 2.275 2.619     .  0 0 "[    .    1    .    2]" 1 
       1080 1  82 PHE H    1  82 PHE QE   . . 4.460 4.549 4.524 4.561 0.101 14 0 "[    .    1    .    2]" 1 
       1081 1  82 PHE H    1  83 THR H    . . 3.500 2.992 2.358 3.377     .  0 0 "[    .    1    .    2]" 1 
       1082 1  82 PHE H    1  83 THR HA   . . 5.440 5.287 4.910 5.502 0.062 20 0 "[    .    1    .    2]" 1 
       1083 1  82 PHE H    1  83 THR MG   . . 4.520 3.673 3.309 4.166     .  0 0 "[    .    1    .    2]" 1 
       1084 1  82 PHE HA   1  82 PHE QD   . . 3.370 3.009 2.824 3.160     .  0 0 "[    .    1    .    2]" 1 
       1085 1  82 PHE HA   1  82 PHE QE   . . 5.160 4.523 4.250 4.751     .  0 0 "[    .    1    .    2]" 1 
       1086 1  82 PHE HB2  1  83 THR H    . . 4.660 3.822 2.564 4.411     .  0 0 "[    .    1    .    2]" 1 
       1087 1  82 PHE HB2  1  83 THR HA   . . 5.450 5.112 4.400 5.454 0.004 20 0 "[    .    1    .    2]" 1 
       1088 1  82 PHE HB2  1  83 THR MG   . . 4.070 3.973 3.301 4.169 0.099 15 0 "[    .    1    .    2]" 1 
       1089 1  82 PHE HB3  1  83 THR H    . . 4.510 4.188 3.186 4.573 0.063 13 0 "[    .    1    .    2]" 1 
       1090 1  82 PHE HB3  1  83 THR HA   . . 4.760 4.613 3.956 4.841 0.081 11 0 "[    .    1    .    2]" 1 
       1091 1  83 THR H    1  83 THR HB   . . 3.620 3.340 2.623 3.665 0.045  3 0 "[    .    1    .    2]" 1 
       1092 1  83 THR H    1  83 THR MG   . . 3.500 2.536 1.874 2.851     .  0 0 "[    .    1    .    2]" 1 
       1093 1  83 THR H    1  84 GLU H    . . 4.560 4.377 4.193 4.624 0.064  6 0 "[    .    1    .    2]" 1 
       1094 1  83 THR H    1  85 PHE H    . . 5.500 4.640 4.271 5.233     .  0 0 "[    .    1    .    2]" 1 
       1095 1  83 THR H    1  90 LEU MD1  . . 5.500 5.274 4.211 6.375 0.875  4 2 "[   +.    1  - .    2]" 1 
       1096 1  83 THR HA   1  83 THR MG   . . 3.370 3.256 3.243 3.278     .  0 0 "[    .    1    .    2]" 1 
       1097 1  83 THR HA   1  84 GLU H    . . 3.110 2.491 2.388 2.705     .  0 0 "[    .    1    .    2]" 1 
       1098 1  83 THR HA   1  84 GLU QG   . . 4.450 3.945 3.437 4.505 0.055 19 0 "[    .    1    .    2]" 1 
       1099 1  83 THR MG   1  84 GLU H    . . 4.140 3.422 2.968 3.796     .  0 0 "[    .    1    .    2]" 1 
       1100 1  83 THR MG   1  85 PHE H    . . 3.870 2.267 1.850 2.630     .  0 0 "[    .    1    .    2]" 1 
       1101 1  83 THR MG   1  85 PHE HA   . . 4.750 4.133 3.846 4.350     .  0 0 "[    .    1    .    2]" 1 
       1102 1  83 THR MG   1  85 PHE HB2  . . 4.110 2.537 2.227 3.195     .  0 0 "[    .    1    .    2]" 1 
       1103 1  83 THR MG   1  85 PHE HB3  . . 4.620 3.724 3.367 4.059     .  0 0 "[    .    1    .    2]" 1 
       1104 1  83 THR MG   1  85 PHE QD   . . 5.500 3.703 2.847 4.558     .  0 0 "[    .    1    .    2]" 1 
       1105 1  83 THR MG   1  86 ASP HA   . . 4.960 4.405 3.223 5.023 0.063  8 0 "[    .    1    .    2]" 1 
       1106 1  84 GLU H    1  84 GLU HA   . . 2.940 2.933 2.862 2.971 0.031  9 0 "[    .    1    .    2]" 1 
       1107 1  84 GLU H    1  84 GLU QB   . . 3.680 2.413 2.015 2.984     .  0 0 "[    .    1    .    2]" 1 
       1108 1  84 GLU H    1  84 GLU QG   . . 3.620 2.428 1.837 2.948     .  0 0 "[    .    1    .    2]" 1 
       1109 1  84 GLU H    1  85 PHE H    . . 3.710 2.373 2.124 2.614     .  0 0 "[    .    1    .    2]" 1 
       1110 1  84 GLU H    1  85 PHE HB2  . . 5.140 4.348 3.993 4.721     .  0 0 "[    .    1    .    2]" 1 
       1111 1  84 GLU H    1  85 PHE QD   . . 4.530 4.008 2.778 4.609 0.079 20 0 "[    .    1    .    2]" 1 
       1112 1  84 GLU HA   1  84 GLU QG   . . 3.080 2.709 2.335 3.203 0.123  6 0 "[    .    1    .    2]" 1 
       1113 1  84 GLU HA   1  85 PHE H    . . 3.560 3.442 3.253 3.509     .  0 0 "[    .    1    .    2]" 1 
       1114 1  85 PHE H    1  85 PHE HB2  . . 3.350 2.348 2.108 2.553     .  0 0 "[    .    1    .    2]" 1 
       1115 1  85 PHE H    1  85 PHE HB3  . . 3.810 3.586 3.470 3.666     .  0 0 "[    .    1    .    2]" 1 
       1116 1  85 PHE H    1  85 PHE QD   . . 3.900 3.153 2.428 3.570     .  0 0 "[    .    1    .    2]" 1 
       1117 1  85 PHE H    1  85 PHE QE   . . 5.160 4.972 4.692 5.245 0.085  3 0 "[    .    1    .    2]" 1 
       1118 1  85 PHE H    1  90 LEU MD1  . . 4.550 4.325 3.618 4.763 0.213  2 0 "[    .    1    .    2]" 1 
       1119 1  85 PHE HA   1  85 PHE QD   . . 3.030 2.377 2.050 2.971     .  0 0 "[    .    1    .    2]" 1 
       1120 1  85 PHE HA   1  86 ASP H    . . 2.730 2.122 2.057 2.185     .  0 0 "[    .    1    .    2]" 1 
       1121 1  85 PHE HA   1  86 ASP QB   . . 4.300 4.105 3.906 4.219     .  0 0 "[    .    1    .    2]" 1 
       1122 1  85 PHE HB2  1  90 LEU H    . . 5.050 4.529 4.148 5.073 0.023 19 0 "[    .    1    .    2]" 1 
       1123 1  85 PHE HB2  1  90 LEU HA   . . 4.750 4.239 3.677 4.629     .  0 0 "[    .    1    .    2]" 1 
       1124 1  85 PHE HB2  1  90 LEU MD1  . . 3.730 3.099 2.034 3.772 0.042  2 0 "[    .    1    .    2]" 1 
       1125 1  85 PHE HB2  1  93 LEU QD   . . 4.870 4.214 3.433 4.852     .  0 0 "[    .    1    .    2]" 1 
       1126 1  85 PHE HB3  1  90 LEU HA   . . 3.400 3.366 2.947 3.482 0.082 11 0 "[    .    1    .    2]" 1 
       1127 1  85 PHE HB3  1  90 LEU MD1  . . 3.880 3.589 2.248 4.285 0.405  2 0 "[    .    1    .    2]" 1 
       1128 1  85 PHE QD   1  86 ASP H    . . 3.900 3.907 3.398 3.995 0.095 10 0 "[    .    1    .    2]" 1 
       1129 1  85 PHE QD   1  89 LYS QG   . . 4.240 2.620 2.138 3.658     .  0 0 "[    .    1    .    2]" 1 
       1130 1  85 PHE QD   1  90 LEU H    . . 5.500 4.740 3.799 5.473     .  0 0 "[    .    1    .    2]" 1 
       1131 1  85 PHE QD   1  93 LEU QD   . . 4.120 3.205 2.622 3.970     .  0 0 "[    .    1    .    2]" 1 
       1132 1  85 PHE QE   1  89 LYS QG   . . 5.090 3.991 3.119 4.651     .  0 0 "[    .    1    .    2]" 1 
       1133 1  86 ASP H    1  86 ASP QB   . . 3.410 2.261 2.071 2.501     .  0 0 "[    .    1    .    2]" 1 
       1134 1  86 ASP H    1  87 ALA H    . . 4.940 4.566 4.488 4.659     .  0 0 "[    .    1    .    2]" 1 
       1135 1  86 ASP HA   1  88 ARG H    . . 4.930 4.108 3.728 4.721     .  0 0 "[    .    1    .    2]" 1 
       1136 1  86 ASP QB   1  87 ALA H    . . 3.230 2.841 2.546 3.140     .  0 0 "[    .    1    .    2]" 1 
       1137 1  86 ASP QB   1  87 ALA MB   . . 4.940 3.985 3.365 4.536     .  0 0 "[    .    1    .    2]" 1 
       1138 1  86 ASP QB   1  88 ARG H    . . 4.590 2.478 1.697 3.765     .  0 0 "[    .    1    .    2]" 1 
       1139 1  86 ASP QB   1  89 LYS H    . . 3.960 2.735 2.172 3.790     .  0 0 "[    .    1    .    2]" 1 
       1140 1  86 ASP QB   1  89 LYS HD3  . . 3.350 2.726 2.021 3.375 0.025 16 0 "[    .    1    .    2]" 1 
       1141 1  86 ASP QB   1  89 LYS QG   . . 4.590 3.349 2.075 4.289     .  0 0 "[    .    1    .    2]" 1 
       1142 1  87 ALA H    1  87 ALA MB   . . 3.260 2.256 2.151 2.357     .  0 0 "[    .    1    .    2]" 1 
       1143 1  87 ALA H    1  88 ARG H    . . 3.580 2.798 2.326 3.137     .  0 0 "[    .    1    .    2]" 1 
       1144 1  87 ALA H    1  89 LYS H    . . 5.400 4.476 4.100 5.026     .  0 0 "[    .    1    .    2]" 1 
       1145 1  87 ALA H    1  90 LEU HB2  . . 5.200 4.576 4.134 5.237 0.037  4 0 "[    .    1    .    2]" 1 
       1146 1  87 ALA HA   1  90 LEU HB3  . . 4.340 3.199 2.217 3.853     .  0 0 "[    .    1    .    2]" 1 
       1147 1  87 ALA MB   1  88 ARG H    . . 3.480 2.793 2.506 3.142     .  0 0 "[    .    1    .    2]" 1 
       1148 1  87 ALA MB   1  91 HIS H    . . 4.750 4.461 4.060 4.805 0.055 14 0 "[    .    1    .    2]" 1 
       1149 1  88 ARG H    1  89 LYS H    . . 3.380 2.745 2.478 3.124     .  0 0 "[    .    1    .    2]" 1 
       1150 1  88 ARG H    1  91 HIS H    . . 5.500 5.004 4.557 5.566 0.066 19 0 "[    .    1    .    2]" 1 
       1151 1  89 LYS H    1  89 LYS QB   . . 3.380 2.587 2.231 2.910     .  0 0 "[    .    1    .    2]" 1 
       1152 1  89 LYS H    1  89 LYS HD2  . . 3.330 2.751 2.012 3.411 0.081 19 0 "[    .    1    .    2]" 1 
       1153 1  89 LYS H    1  89 LYS HD3  . . 3.930 3.451 2.488 4.012 0.082  4 0 "[    .    1    .    2]" 1 
       1154 1  89 LYS H    1  90 LEU H    . . 3.120 2.539 2.237 2.877     .  0 0 "[    .    1    .    2]" 1 
       1155 1  89 LYS H    1  90 LEU HA   . . 5.500 5.112 4.809 5.399     .  0 0 "[    .    1    .    2]" 1 
       1156 1  89 LYS HA   1  92 LYS H    . . 4.080 3.622 3.149 4.152 0.072 12 0 "[    .    1    .    2]" 1 
       1157 1  90 LEU H    1  90 LEU HB2  . . 4.150 2.095 1.993 2.436     .  0 0 "[    .    1    .    2]" 1 
       1158 1  90 LEU H    1  90 LEU HB3  . . 4.050 3.164 2.352 3.606     .  0 0 "[    .    1    .    2]" 1 
       1159 1  90 LEU H    1  90 LEU MD1  . . 3.890 3.844 3.265 4.074 0.184  2 0 "[    .    1    .    2]" 1 
       1160 1  90 LEU H    1  90 LEU MD2  . . 4.760 4.067 3.789 4.190     .  0 0 "[    .    1    .    2]" 1 
       1161 1  90 LEU H    1  91 HIS H    . . 3.780 3.039 2.828 3.430     .  0 0 "[    .    1    .    2]" 1 
       1162 1  90 LEU H    1  92 LYS H    . . 5.140 4.321 4.009 4.597     .  0 0 "[    .    1    .    2]" 1 
       1163 1  90 LEU H    1  93 LEU QD   . . 5.500 4.227 3.455 5.291     .  0 0 "[    .    1    .    2]" 1 
       1164 1  90 LEU HA   1  90 LEU MD1  . . 4.590 3.351 1.975 3.884     .  0 0 "[    .    1    .    2]" 1 
       1165 1  90 LEU HA   1  93 LEU H    . . 4.430 3.601 3.258 3.939     .  0 0 "[    .    1    .    2]" 1 
       1166 1  90 LEU HA   1  93 LEU HB2  . . 3.420 2.779 2.235 3.548 0.128 15 0 "[    .    1    .    2]" 1 
       1167 1  90 LEU HA   1  93 LEU QD   . . 3.500 2.823 2.181 3.449     .  0 0 "[    .    1    .    2]" 1 
       1168 1  90 LEU HA   1  94 TYR H    . . 4.820 3.977 3.717 4.485     .  0 0 "[    .    1    .    2]" 1 
       1169 1  90 LEU HB2  1  91 HIS H    . . 3.080 3.136 2.465 3.845 0.765  8 4 "[   *.  + -  * .    2]" 1 
       1170 1  91 HIS H    1  92 LYS H    . . 3.980 2.886 2.700 3.032     .  0 0 "[    .    1    .    2]" 1 
       1171 1  91 HIS H    1  93 LEU H    . . 5.420 4.390 4.152 4.671     .  0 0 "[    .    1    .    2]" 1 
       1172 1  92 LYS H    1  92 LYS QB   . . 3.160 2.346 2.067 2.707     .  0 0 "[    .    1    .    2]" 1 
       1173 1  92 LYS H    1  93 LEU H    . . 3.730 2.585 2.363 2.803     .  0 0 "[    .    1    .    2]" 1 
       1174 1  92 LYS H    1  94 TYR H    . . 5.500 4.181 3.757 4.358     .  0 0 "[    .    1    .    2]" 1 
       1175 1  92 LYS HA   1  95 LYS H    . . 4.190 3.554 3.166 3.943     .  0 0 "[    .    1    .    2]" 1 
       1176 1  92 LYS HA   1  96 HIS H    . . 5.160 3.923 3.420 4.203     .  0 0 "[    .    1    .    2]" 1 
       1177 1  92 LYS QB   1  93 LEU H    . . 3.650 2.844 2.330 3.724 0.074 14 0 "[    .    1    .    2]" 1 
       1178 1  93 LEU H    1  93 LEU HB2  . . 3.590 2.323 2.081 2.589     .  0 0 "[    .    1    .    2]" 1 
       1179 1  93 LEU H    1  93 LEU HB3  . . 3.810 3.336 2.444 3.604     .  0 0 "[    .    1    .    2]" 1 
       1180 1  93 LEU H    1  93 LEU QD   . . 4.200 3.110 2.238 3.755     .  0 0 "[    .    1    .    2]" 1 
       1181 1  93 LEU H    1  93 LEU HG   . . 4.880 3.412 2.424 4.523     .  0 0 "[    .    1    .    2]" 1 
       1182 1  93 LEU H    1  96 HIS QB   . . 4.940 4.922 4.642 5.039 0.099 19 0 "[    .    1    .    2]" 1 
       1183 1  93 LEU HA   1  93 LEU QD   . . 3.020 2.157 2.006 2.469     .  0 0 "[    .    1    .    2]" 1 
       1184 1  93 LEU HA   1  96 HIS H    . . 4.190 3.804 3.347 4.164     .  0 0 "[    .    1    .    2]" 1 
       1185 1  93 LEU HB2  1  94 TYR H    . . 3.810 2.882 2.404 3.879 0.069 15 0 "[    .    1    .    2]" 1 
       1186 1  93 LEU HB3  1  94 TYR H    . . 4.260 3.037 2.342 3.540     .  0 0 "[    .    1    .    2]" 1 
       1187 1  93 LEU QD   1  94 TYR H    . . 4.460 4.007 3.748 4.170     .  0 0 "[    .    1    .    2]" 1 
       1188 1  93 LEU QD   1  96 HIS QB   . . 4.620 3.851 3.007 4.509     .  0 0 "[    .    1    .    2]" 1 
       1189 1  94 TYR H    1  94 TYR HB3  . . 3.320 2.443 2.362 2.542     .  0 0 "[    .    1    .    2]" 1 
       1190 1  94 TYR H    1  94 TYR QD   . . 4.130 4.194 4.166 4.216 0.086 10 0 "[    .    1    .    2]" 1 
       1191 1  94 TYR HA   1  94 TYR QD   . . 3.310 2.472 2.245 2.680     .  0 0 "[    .    1    .    2]" 1 
       1192 1  94 TYR HA   1  97 ALA MB   . . 4.470 2.539 2.197 2.912     .  0 0 "[    .    1    .    2]" 1 
       1193 1  94 TYR HB3  1  95 LYS H    . . 3.390 2.473 2.190 2.666     .  0 0 "[    .    1    .    2]" 1 
       1194 1  94 TYR QD   1  95 LYS H    . . 3.980 3.300 2.964 3.728     .  0 0 "[    .    1    .    2]" 1 
       1195 1  94 TYR QD   1  95 LYS HA   . . 4.550 3.713 3.119 4.162     .  0 0 "[    .    1    .    2]" 1 
       1196 1  94 TYR QD   1  97 ALA MB   . . 4.370 3.533 3.159 4.036     .  0 0 "[    .    1    .    2]" 1 
       1197 1  94 TYR QD   1  98 ILE MG   . . 4.150 3.918 3.662 4.248 0.098 14 0 "[    .    1    .    2]" 1 
       1198 1  94 TYR QE   1  98 ILE MD   . . 3.830 3.485 2.615 3.945 0.115 19 0 "[    .    1    .    2]" 1 
       1199 1  94 TYR QE   1  98 ILE MG   . . 3.740 3.463 3.109 3.799 0.059  3 0 "[    .    1    .    2]" 1 
       1200 1  95 LYS H    1  95 LYS QB   . . 3.720 2.278 2.128 2.515     .  0 0 "[    .    1    .    2]" 1 
       1201 1  95 LYS H    1  95 LYS QG   . . 4.130 3.474 2.297 4.103     .  0 0 "[    .    1    .    2]" 1 
       1202 1  95 LYS HA   1  97 ALA H    . . 5.220 4.401 4.090 4.776     .  0 0 "[    .    1    .    2]" 1 
       1203 1  95 LYS HA   1  98 ILE H    . . 3.880 3.678 3.423 3.945 0.065  8 0 "[    .    1    .    2]" 1 
       1204 1  95 LYS HA   1  98 ILE MG   . . 3.610 2.219 2.015 3.084     .  0 0 "[    .    1    .    2]" 1 
       1205 1  95 LYS HA   1  99 LYS H    . . 4.820 3.823 3.433 4.268     .  0 0 "[    .    1    .    2]" 1 
       1206 1  95 LYS QB   1  96 HIS H    . . 3.800 2.836 2.234 3.732     .  0 0 "[    .    1    .    2]" 1 
       1207 1  95 LYS QG   1  96 HIS H    . . 4.870 3.894 2.262 4.554     .  0 0 "[    .    1    .    2]" 1 
       1208 1  96 HIS H    1  96 HIS QB   . . 2.870 2.213 2.040 2.446     .  0 0 "[    .    1    .    2]" 1 
       1209 1  96 HIS H    1  97 ALA MB   . . 4.480 4.412 4.157 4.544 0.064  3 0 "[    .    1    .    2]" 1 
       1210 1  96 HIS H    1  98 ILE MG   . . 5.500 4.550 4.310 5.607 0.107 14 0 "[    .    1    .    2]" 1 
       1211 1  96 HIS QB   1  97 ALA H    . . 2.910 2.785 2.465 3.022 0.112  5 0 "[    .    1    .    2]" 1 
       1212 1  96 HIS QB   1  98 ILE H    . . 5.200 5.019 4.690 5.292 0.092  5 0 "[    .    1    .    2]" 1 
       1213 1  96 HIS QB   1  99 LYS H    . . 5.100 5.128 4.895 5.202 0.102 13 0 "[    .    1    .    2]" 1 
       1214 1  97 ALA H    1  97 ALA MB   . . 3.030 2.253 2.196 2.365     .  0 0 "[    .    1    .    2]" 1 
       1215 1  97 ALA H    1  98 ILE H    . . 3.450 2.824 2.692 3.025     .  0 0 "[    .    1    .    2]" 1 
       1216 1  97 ALA H    1  98 ILE HB   . . 5.430 5.263 4.343 5.497 0.067 19 0 "[    .    1    .    2]" 1 
       1217 1  97 ALA H    1  98 ILE MG   . . 5.500 4.155 3.801 5.576 0.076 14 0 "[    .    1    .    2]" 1 
       1218 1  97 ALA H    1  99 LYS H    . . 4.710 4.224 3.992 4.456     .  0 0 "[    .    1    .    2]" 1 
       1219 1  97 ALA MB   1  98 ILE H    . . 3.490 2.498 2.234 3.019     .  0 0 "[    .    1    .    2]" 1 
       1220 1  98 ILE H    1  98 ILE HB   . . 3.760 2.564 2.121 2.851     .  0 0 "[    .    1    .    2]" 1 
       1221 1  98 ILE H    1  98 ILE MG   . . 3.570 2.203 1.990 3.599 0.029 14 0 "[    .    1    .    2]" 1 
       1222 1  98 ILE H    1  99 LYS H    . . 3.210 2.702 2.333 3.013     .  0 0 "[    .    1    .    2]" 1 
       1223 1  98 ILE H    1  99 LYS QB   . . 4.590 4.519 4.127 4.678 0.088  1 0 "[    .    1    .    2]" 1 
       1224 1  98 ILE HA   1  98 ILE MD   . . 3.680 3.280 2.019 3.778 0.098  1 0 "[    .    1    .    2]" 1 
       1225 1  98 ILE HB   1  98 ILE MD   . . 3.180 2.401 2.232 3.268 0.088 14 0 "[    .    1    .    2]" 1 
       1226 1  98 ILE HB   1  99 LYS H    . . 3.900 3.897 2.504 3.984 0.084  4 0 "[    .    1    .    2]" 1 
       1227 1  98 ILE MG   1  99 LYS H    . . 4.400 2.235 2.129 2.650     .  0 0 "[    .    1    .    2]" 1 
       1228 1  98 ILE MG   1  99 LYS HA   . . 3.950 3.487 3.075 3.632     .  0 0 "[    .    1    .    2]" 1 
       1229 1  98 ILE MG   1 100 LYS H    . . 5.500 4.578 4.361 4.716     .  0 0 "[    .    1    .    2]" 1 
       1230 1  99 LYS H    1  99 LYS QB   . . 2.800 2.293 2.130 2.404     .  0 0 "[    .    1    .    2]" 1 
       1231 1  99 LYS H    1  99 LYS QE   . . 5.500 4.810 4.350 5.589 0.089  4 0 "[    .    1    .    2]" 1 
       1232 1  99 LYS H    1  99 LYS HG2  . . 4.440 3.632 2.472 4.553 0.113 20 0 "[    .    1    .    2]" 1 
       1233 1  99 LYS H    1  99 LYS HG3  . . 4.540 3.765 2.372 4.516     .  0 0 "[    .    1    .    2]" 1 
       1234 1  99 LYS H    1 100 LYS H    . . 3.600 2.911 2.763 3.090     .  0 0 "[    .    1    .    2]" 1 
       1235 1  99 LYS H    1 101 ARG H    . . 5.160 4.400 4.097 4.998     .  0 0 "[    .    1    .    2]" 1 
       1236 1  99 LYS QB   1 100 LYS H    . . 2.950 2.813 2.487 3.069 0.119 12 0 "[    .    1    .    2]" 1 
       1237 1 100 LYS H    1 100 LYS HB2  . . 3.210 2.758 2.319 3.758 0.548 12 1 "[    .    1 +  .    2]" 1 
       1238 1 100 LYS H    1 100 LYS QD   . . 5.010 4.421 3.932 4.824     .  0 0 "[    .    1    .    2]" 1 
       1239 1 100 LYS H    1 100 LYS QG   . . 4.500 3.651 2.120 4.059     .  0 0 "[    .    1    .    2]" 1 
       1240 1 100 LYS HA   1 100 LYS QG   . . 3.530 2.735 2.209 3.614 0.084 10 0 "[    .    1    .    2]" 1 
       1241 1 100 LYS HB3  1 101 ARG H    . . 3.060 2.994 2.346 3.931 0.871  9 3 "[    .   +1 *  -    2]" 1 
       1242 1 100 LYS QD   1 101 ARG H    . . 4.190 3.515 2.047 4.271 0.081 18 0 "[    .    1    .    2]" 1 
       1243 1 100 LYS QD   1 101 ARG QD   . . 3.470 2.913 2.139 3.473 0.003 18 0 "[    .    1    .    2]" 1 
       1244 1 100 LYS HG3  1 101 ARG H    . . 5.500 4.318 1.883 5.499     .  0 0 "[    .    1    .    2]" 1 
       1245 1 101 ARG H    1 101 ARG HA   . . 2.920 2.898 2.798 2.985 0.065  2 0 "[    .    1    .    2]" 1 
       1246 1 101 ARG H    1 101 ARG HB3  . . 3.340 3.327 2.613 3.696 0.356 10 0 "[    .    1    .    2]" 1 
       1247 1 101 ARG H    1 101 ARG QD   . . 4.650 3.412 2.636 3.857     .  0 0 "[    .    1    .    2]" 1 
       1248 1 101 ARG H    1 102 GLN H    . . 4.520 2.618 2.097 3.011     .  0 0 "[    .    1    .    2]" 1 
       1249 1 101 ARG HA   1 102 GLN H    . . 3.490 3.511 3.376 3.570 0.080  3 0 "[    .    1    .    2]" 1 
       1250 1 101 ARG HB2  1 101 ARG QD   . . 3.830 2.806 2.208 3.552     .  0 0 "[    .    1    .    2]" 1 
       1251 1 101 ARG HB3  1 101 ARG QD   . . 3.730 3.097 2.419 3.382     .  0 0 "[    .    1    .    2]" 1 
       1252 1 101 ARG QD   1 102 GLN H    . . 5.500 4.874 4.591 5.211     .  0 0 "[    .    1    .    2]" 1 
       1253 1 102 GLN H    1 102 GLN QB   . . 3.190 2.622 2.140 3.013     .  0 0 "[    .    1    .    2]" 1 
       1254 1 102 GLN H    1 102 GLN HB3  . . 3.550 3.306 2.623 3.898 0.348  1 0 "[    .    1    .    2]" 1 
       1255 1 102 GLN H    1 102 GLN QG   . . 4.330 3.716 2.597 4.249     .  0 0 "[    .    1    .    2]" 1 
       1256 1 102 GLN HA   1 103 GLU H    . . 2.980 2.531 2.127 3.067 0.087 15 0 "[    .    1    .    2]" 1 
       1257 1 103 GLU H    1 103 GLU QB   . . 3.270 2.746 2.010 3.347 0.077  6 0 "[    .    1    .    2]" 1 
       1258 1 103 GLU H    1 103 GLU HG2  . . 4.420 2.860 1.879 4.483 0.063  9 0 "[    .    1    .    2]" 1 
       1259 1 103 GLU H    1 103 GLU HG3  . . 3.770 3.295 2.328 4.216 0.446 16 0 "[    .    1    .    2]" 1 
       1260 1 103 GLU HA   1 104 SER H    . . 3.120 2.554 2.138 3.203 0.083 14 0 "[    .    1    .    2]" 1 
       1261 1 103 GLU QB   1 104 SER H    . . 4.200 3.296 1.922 4.103     .  0 0 "[    .    1    .    2]" 1 
       1262 1 103 GLU HG3  1 104 SER H    . . 4.830 4.446 3.240 5.504 0.674 12 1 "[    .    1 +  .    2]" 1 
       1263 1 104 SER H    1 104 SER QB   . . 3.840 2.919 2.377 3.542     .  0 0 "[    .    1    .    2]" 1 
       1264 1 104 SER HA   1 105 GLN QB   . . 4.750 4.288 3.674 4.626     .  0 0 "[    .    1    .    2]" 1 
       1265 1 104 SER QB   1 105 GLN H    . . 4.860 3.152 2.040 4.058     .  0 0 "[    .    1    .    2]" 1 
       1266 1 105 GLN H    1 105 GLN QB   . . 3.100 2.625 2.223 3.069     .  0 0 "[    .    1    .    2]" 1 
       1267 1 105 GLN H    1 105 GLN HG2  . . 4.820 4.020 1.986 5.160 0.340 17 0 "[    .    1    .    2]" 1 
       1268 1 105 GLN HA   1 106 GLN H    . . 3.490 2.666 2.096 3.557 0.067  2 0 "[    .    1    .    2]" 1 
       1269 1 105 GLN HG2  1 106 GLN H    . . 4.720 3.915 1.844 5.529 0.809 17 2 "[    .    1    - +  2]" 1 
       1270 1 106 GLN H    1 106 GLN HB3  . . 4.140 3.197 2.560 4.109     .  0 0 "[    .    1    .    2]" 1 
       1271 1 106 GLN QG   1 107 ASN HB2  . . 4.800 4.352 3.060 5.213 0.413 20 0 "[    .    1    .    2]" 1 
    stop_

save_



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