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
468369 1a2i 4291 cing 4-filtered-FRED Wattos check violation distance


data_1a2i


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              1421
    _Distance_constraint_stats_list.Viol_count                    1543
    _Distance_constraint_stats_list.Viol_total                    1311.145
    _Distance_constraint_stats_list.Viol_max                      0.229
    _Distance_constraint_stats_list.Viol_rms                      0.0135
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0023
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0425
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

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

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


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

       1   1 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1   2 PRO 0.000 0.000  . 0 "[    .    1    .    2]" 
       1   3 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1   4 ALA 0.135 0.037  6 0 "[    .    1    .    2]" 
       1   5 PRO 0.238 0.037  6 0 "[    .    1    .    2]" 
       1   6 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1   7 ASP 0.164 0.025  4 0 "[    .    1    .    2]" 
       1   8 GLY 0.021 0.021 13 0 "[    .    1    .    2]" 
       1   9 LEU 1.293 0.067 19 0 "[    .    1    .    2]" 
       1  10 LYS 1.264 0.065 16 0 "[    .    1    .    2]" 
       1  11 MET 0.182 0.056 13 0 "[    .    1    .    2]" 
       1  12 GLU 5.319 0.229 13 0 "[    .    1    .    2]" 
       1  13 ALA 2.374 0.105 11 0 "[    .    1    .    2]" 
       1  14 THR 1.142 0.062 18 0 "[    .    1    .    2]" 
       1  15 LYS 2.544 0.105 17 0 "[    .    1    .    2]" 
       1  16 GLN 2.049 0.111  5 0 "[    .    1    .    2]" 
       1  17 PRO 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  18 VAL 0.757 0.137 12 0 "[    .    1    .    2]" 
       1  19 VAL 0.106 0.029 13 0 "[    .    1    .    2]" 
       1  20 PHE 0.028 0.010  5 0 "[    .    1    .    2]" 
       1  21 ASN 0.184 0.025  4 0 "[    .    1    .    2]" 
       1  22 HIS 0.903 0.067 19 0 "[    .    1    .    2]" 
       1  23 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  24 THR 0.640 0.048  3 0 "[    .    1    .    2]" 
       1  25 HIS 5.020 0.160 13 0 "[    .    1    .    2]" 
       1  26 LYS 0.844 0.034 18 0 "[    .    1    .    2]" 
       1  27 SER 0.490 0.084  6 0 "[    .    1    .    2]" 
       1  28 VAL 1.321 0.081  9 0 "[    .    1    .    2]" 
       1  29 LYS 1.435 0.081  9 0 "[    .    1    .    2]" 
       1  30 CYS 0.435 0.056 16 0 "[    .    1    .    2]" 
       1  31 GLY 0.095 0.023  2 0 "[    .    1    .    2]" 
       1  32 ASP 1.676 0.088 11 0 "[    .    1    .    2]" 
       1  33 CYS 0.571 0.039 14 0 "[    .    1    .    2]" 
       1  34 HIS 1.010 0.042 11 0 "[    .    1    .    2]" 
       1  35 HIS 1.623 0.065 16 0 "[    .    1    .    2]" 
       1  36 PRO 1.636 0.065 16 0 "[    .    1    .    2]" 
       1  37 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  38 ASN 1.573 0.135  8 0 "[    .    1    .    2]" 
       1  40 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  41 GLU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  42 ASP 0.105 0.058  7 0 "[    .    1    .    2]" 
       1  43 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  44 ARG 0.994 0.110 14 0 "[    .    1    .    2]" 
       1  45 LYS 0.202 0.041 13 0 "[    .    1    .    2]" 
       1  46 CYS 1.427 0.088 10 0 "[    .    1    .    2]" 
       1  47 GLY 1.070 0.094 14 0 "[    .    1    .    2]" 
       1  48 THR 0.361 0.094 14 0 "[    .    1    .    2]" 
       1  49 ALA 0.896 0.048  1 0 "[    .    1    .    2]" 
       1  50 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  51 CYS 2.897 0.088 10 0 "[    .    1    .    2]" 
       1  52 HIS 1.174 0.045  9 0 "[    .    1    .    2]" 
       1  53 ASP 2.674 0.129  7 0 "[    .    1    .    2]" 
       1  54 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  55 MET 0.538 0.070  7 0 "[    .    1    .    2]" 
       1  56 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  57 LYS 0.124 0.020  5 0 "[    .    1    .    2]" 
       1  58 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  59 ASP 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  60 LYS 0.130 0.036 12 0 "[    .    1    .    2]" 
       1  61 SER 0.061 0.036 12 0 "[    .    1    .    2]" 
       1  62 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  63 LYS 0.268 0.047 15 0 "[    .    1    .    2]" 
       1  64 GLY 0.172 0.034 19 0 "[    .    1    .    2]" 
       1  65 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  66 TYR 0.095 0.020  5 0 "[    .    1    .    2]" 
       1  67 HIS 0.197 0.034 19 0 "[    .    1    .    2]" 
       1  68 VAL 0.436 0.045  9 0 "[    .    1    .    2]" 
       1  69 MET 0.776 0.060 10 0 "[    .    1    .    2]" 
       1  70 HIS 5.661 0.185  6 0 "[    .    1    .    2]" 
       1  71 ASP 0.018 0.011  5 0 "[    .    1    .    2]" 
       1  72 LYS 0.406 0.054 11 0 "[    .    1    .    2]" 
       1  73 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  74 THR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  75 LYS 0.062 0.016 19 0 "[    .    1    .    2]" 
       1  76 PHE 0.303 0.046 16 0 "[    .    1    .    2]" 
       1  77 LYS 0.194 0.023 18 0 "[    .    1    .    2]" 
       1  78 SER 0.104 0.016 10 0 "[    .    1    .    2]" 
       1  79 CYS 2.276 0.127  6 0 "[    .    1    .    2]" 
       1  80 VAL 3.451 0.127  6 0 "[    .    1    .    2]" 
       1  81 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  82 CYS 0.611 0.046 17 0 "[    .    1    .    2]" 
       1  83 HIS 4.740 0.205 19 0 "[    .    1    .    2]" 
       1  84 VAL 2.327 0.073 20 0 "[    .    1    .    2]" 
       1  85 GLU 3.168 0.069  4 0 "[    .    1    .    2]" 
       1  86 VAL 2.058 0.069  4 0 "[    .    1    .    2]" 
       1  87 ALA 0.061 0.020 17 0 "[    .    1    .    2]" 
       1  88 GLY 0.091 0.022 20 0 "[    .    1    .    2]" 
       1  89 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  90 ASP 1.855 0.116 20 0 "[    .    1    .    2]" 
       1  91 ALA 0.437 0.074 17 0 "[    .    1    .    2]" 
       1  92 ALA 0.074 0.025 12 0 "[    .    1    .    2]" 
       1  93 LYS 6.435 0.192 10 0 "[    .    1    .    2]" 
       1  94 LYS 2.837 0.192 10 0 "[    .    1    .    2]" 
       1  95 LYS 2.164 0.085 12 0 "[    .    1    .    2]" 
       1  96 ASP 0.247 0.025 13 0 "[    .    1    .    2]" 
       1  97 LEU 3.644 0.127  9 0 "[    .    1    .    2]" 
       1  98 THR 0.349 0.034  4 0 "[    .    1    .    2]" 
       1  99 GLY 0.880 0.085 12 0 "[    .    1    .    2]" 
       1 100 CYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 101 LYS 0.316 0.045  9 0 "[    .    1    .    2]" 
       1 102 LYS 0.178 0.045  9 0 "[    .    1    .    2]" 
       1 103 SER 2.407 0.090  4 0 "[    .    1    .    2]" 
       1 104 LYS 0.133 0.079  9 0 "[    .    1    .    2]" 
       1 105 CYS 0.764 0.074  8 0 "[    .    1    .    2]" 
       1 106 HIS 0.391 0.074  8 0 "[    .    1    .    2]" 
       1 107 GLU 0.052 0.017 18 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   1 ALA HA   1   2 PRO HD2  . .  3.100 2.554 2.185 2.984     .  0 0 "[    .    1    .    2]" 1 
          2 1   1 ALA HA   1   2 PRO QD   . .  2.870 1.984 1.855 2.126     .  0 0 "[    .    1    .    2]" 1 
          3 1   1 ALA HA   1   2 PRO HD3  . .  3.100 2.111 1.917 2.356     .  0 0 "[    .    1    .    2]" 1 
          4 1   1 ALA MB   1   2 PRO QD   . .  4.360 2.560 1.904 3.433     .  0 0 "[    .    1    .    2]" 1 
          5 1   2 PRO QD   1  43 TYR QD   . . 10.020 2.964 1.984 3.676     .  0 0 "[    .    1    .    2]" 1 
          6 1   2 PRO QD   1  43 TYR QE   . .  8.710 2.319 1.941 2.720     .  0 0 "[    .    1    .    2]" 1 
          7 1   3 LYS HA   1   4 ALA H    . .  3.400 2.543 2.254 2.933     .  0 0 "[    .    1    .    2]" 1 
          8 1   3 LYS HA   1   4 ALA MB   . .  5.400 4.104 3.985 4.253     .  0 0 "[    .    1    .    2]" 1 
          9 1   3 LYS QG   1   4 ALA H    . .  7.000 3.068 2.213 3.796     .  0 0 "[    .    1    .    2]" 1 
         10 1   4 ALA H    1   4 ALA MB   . .  3.600 2.070 1.943 2.181     .  0 0 "[    .    1    .    2]" 1 
         11 1   4 ALA HA   1   5 PRO HD2  . .  2.700 2.665 2.531 2.737 0.037  6 0 "[    .    1    .    2]" 1 
         12 1   4 ALA HA   1   5 PRO HD3  . .  2.500 1.977 1.928 2.009     .  0 0 "[    .    1    .    2]" 1 
         13 1   4 ALA HA   1   5 PRO QG   . .  5.210 3.919 3.864 3.953     .  0 0 "[    .    1    .    2]" 1 
         14 1   4 ALA HA   1  22 HIS HD2  . .  5.300 4.602 4.330 4.847     .  0 0 "[    .    1    .    2]" 1 
         15 1   4 ALA MB   1   5 PRO HD2  . .  3.500 2.324 2.090 2.533     .  0 0 "[    .    1    .    2]" 1 
         16 1   4 ALA MB   1   5 PRO HD3  . .  4.000 3.063 2.910 3.270     .  0 0 "[    .    1    .    2]" 1 
         17 1   4 ALA MB   1   6 ALA HA   . .  8.000 5.351 5.156 5.441     .  0 0 "[    .    1    .    2]" 1 
         18 1   4 ALA MB   1  22 HIS HA   . .  6.500 4.369 4.218 4.541     .  0 0 "[    .    1    .    2]" 1 
         19 1   4 ALA MB   1  22 HIS HB2  . .  4.100 2.784 2.388 3.043     .  0 0 "[    .    1    .    2]" 1 
         20 1   4 ALA MB   1  22 HIS HB3  . .  4.100 2.222 2.026 2.393     .  0 0 "[    .    1    .    2]" 1 
         21 1   4 ALA MB   1  22 HIS HD1  . .  7.200 4.060 3.880 4.295     .  0 0 "[    .    1    .    2]" 1 
         22 1   4 ALA MB   1  22 HIS HD2  . .  4.000 3.048 2.789 3.202     .  0 0 "[    .    1    .    2]" 1 
         23 1   4 ALA MB   1  22 HIS HE1  . .  8.000 4.976 4.772 5.176     .  0 0 "[    .    1    .    2]" 1 
         24 1   4 ALA MB   1  26 LYS HA   . .  8.000 5.311 5.137 5.498     .  0 0 "[    .    1    .    2]" 1 
         25 1   4 ALA MB   1  30 CYS HA   . .  8.000 6.409 6.231 6.505     .  0 0 "[    .    1    .    2]" 1 
         26 1   5 PRO HA   1   6 ALA H    . .  2.900 2.449 2.312 2.604     .  0 0 "[    .    1    .    2]" 1 
         27 1   5 PRO HA   1   6 ALA MB   . .  5.100 4.092 4.042 4.163     .  0 0 "[    .    1    .    2]" 1 
         28 1   5 PRO HB2  1   6 ALA H    . .  4.000 2.682 2.320 3.039     .  0 0 "[    .    1    .    2]" 1 
         29 1   5 PRO HB2  1  22 HIS HE1  . .  5.000 4.978 4.877 5.018 0.018 13 0 "[    .    1    .    2]" 1 
         30 1   5 PRO HB3  1   6 ALA H    . .  4.100 3.387 3.224 3.574     .  0 0 "[    .    1    .    2]" 1 
         31 1   5 PRO HD2  1  22 HIS HA   . .  7.000 5.261 5.175 5.378     .  0 0 "[    .    1    .    2]" 1 
         32 1   5 PRO HD2  1  22 HIS HB2  . .  5.200 3.290 3.156 3.417     .  0 0 "[    .    1    .    2]" 1 
         33 1   5 PRO HD2  1  22 HIS HB3  . .  6.400 3.588 3.542 3.746     .  0 0 "[    .    1    .    2]" 1 
         34 1   5 PRO HD2  1  22 HIS HD1  . .  5.200 2.967 2.886 3.120     .  0 0 "[    .    1    .    2]" 1 
         35 1   5 PRO HD2  1  22 HIS HD2  . .  4.400 3.785 3.653 3.911     .  0 0 "[    .    1    .    2]" 1 
         36 1   5 PRO HD2  1  22 HIS HE1  . .  4.100 3.497 3.379 3.616     .  0 0 "[    .    1    .    2]" 1 
         37 1   5 PRO HD3  1  22 HIS HD1  . .  5.700 4.521 4.431 4.669     .  0 0 "[    .    1    .    2]" 1 
         38 1   5 PRO QG   1   9 LEU MD2  . .  6.480 4.707 4.548 4.799     .  0 0 "[    .    1    .    2]" 1 
         39 1   5 PRO QG   1  22 HIS HD1  . .  5.580 2.710 2.547 2.913     .  0 0 "[    .    1    .    2]" 1 
         40 1   5 PRO QG   1  22 HIS HD2  . .  6.980 5.013 4.942 5.116     .  0 0 "[    .    1    .    2]" 1 
         41 1   5 PRO QG   1  22 HIS HE1  . .  4.180 2.669 2.549 2.740     .  0 0 "[    .    1    .    2]" 1 
         42 1   6 ALA H    1   6 ALA MB   . .  3.400 2.059 1.937 2.160     .  0 0 "[    .    1    .    2]" 1 
         43 1   6 ALA HA   1   7 ASP H    . .  3.200 2.598 2.297 2.833     .  0 0 "[    .    1    .    2]" 1 
         44 1   6 ALA MB   1   7 ASP H    . .  4.000 2.330 1.928 2.888     .  0 0 "[    .    1    .    2]" 1 
         45 1   6 ALA MB   1   7 ASP HA   . .  6.100 4.176 4.069 4.394     .  0 0 "[    .    1    .    2]" 1 
         46 1   7 ASP HA   1   9 LEU H    . .  5.600 3.272 3.083 3.472     .  0 0 "[    .    1    .    2]" 1 
         47 1   7 ASP HA   1  21 ASN HA   . .  3.500 3.480 3.338 3.525 0.025  4 0 "[    .    1    .    2]" 1 
         48 1   7 ASP HA   1  22 HIS H    . .  5.000 3.593 3.268 3.868     .  0 0 "[    .    1    .    2]" 1 
         49 1   7 ASP QB   1   9 LEU H    . .  6.580 4.338 4.021 4.896     .  0 0 "[    .    1    .    2]" 1 
         50 1   7 ASP HB2  1   8 GLY H    . .  4.200 2.894 2.288 3.895     .  0 0 "[    .    1    .    2]" 1 
         51 1   7 ASP HB3  1   8 GLY H    . .  4.200 3.263 2.299 3.863     .  0 0 "[    .    1    .    2]" 1 
         52 1   8 GLY H    1  21 ASN HA   . .  3.900 3.514 3.028 3.921 0.021 13 0 "[    .    1    .    2]" 1 
         53 1   8 GLY HA2  1   9 LEU H    . .  3.600 3.116 3.023 3.249     .  0 0 "[    .    1    .    2]" 1 
         54 1   8 GLY HA2  1  19 VAL MG1  . .  3.200 2.496 2.416 2.565     .  0 0 "[    .    1    .    2]" 1 
         55 1   8 GLY HA3  1  19 VAL MG1  . .  4.700 3.852 3.782 3.907     .  0 0 "[    .    1    .    2]" 1 
         56 1   8 GLY HA3  1  19 VAL MG2  . .  6.300 5.038 5.006 5.077     .  0 0 "[    .    1    .    2]" 1 
         57 1   9 LEU H    1   9 LEU HB3  . .  3.600 2.222 2.175 2.271     .  0 0 "[    .    1    .    2]" 1 
         58 1   9 LEU H    1   9 LEU MD1  . .  5.200 3.756 3.639 3.814     .  0 0 "[    .    1    .    2]" 1 
         59 1   9 LEU H    1   9 LEU MD2  . .  5.500 4.076 4.040 4.166     .  0 0 "[    .    1    .    2]" 1 
         60 1   9 LEU H    1  10 LYS H    . .  4.600 4.276 4.190 4.364     .  0 0 "[    .    1    .    2]" 1 
         61 1   9 LEU H    1  19 VAL MG1  . .  4.600 3.676 3.499 3.798     .  0 0 "[    .    1    .    2]" 1 
         62 1   9 LEU H    1  20 PHE H    . .  4.800 4.189 3.969 4.453     .  0 0 "[    .    1    .    2]" 1 
         63 1   9 LEU HA   1   9 LEU MD1  . .  4.400 3.626 3.364 3.730     .  0 0 "[    .    1    .    2]" 1 
         64 1   9 LEU HA   1   9 LEU MD2  . .  3.400 2.011 1.962 2.192     .  0 0 "[    .    1    .    2]" 1 
         65 1   9 LEU HA   1  10 LYS H    . .  2.200 2.228 2.195 2.264 0.064  8 0 "[    .    1    .    2]" 1 
         66 1   9 LEU HA   1  10 LYS HA   . .  5.200 4.392 4.372 4.422     .  0 0 "[    .    1    .    2]" 1 
         67 1   9 LEU HA   1  10 LYS QB   . .  5.200 4.223 4.136 4.473     .  0 0 "[    .    1    .    2]" 1 
         68 1   9 LEU HA   1  11 MET H    . .  7.000 6.176 5.781 6.316     .  0 0 "[    .    1    .    2]" 1 
         69 1   9 LEU HA   1  19 VAL MG1  . .  6.800 4.777 4.683 4.911     .  0 0 "[    .    1    .    2]" 1 
         70 1   9 LEU HA   1  19 VAL MG2  . .  6.800 5.417 5.297 5.523     .  0 0 "[    .    1    .    2]" 1 
         71 1   9 LEU HB3  1  10 LYS H    . .  4.600 4.618 4.576 4.647 0.047  8 0 "[    .    1    .    2]" 1 
         72 1   9 LEU HB3  1  20 PHE H    . .  4.600 3.972 3.688 4.307     .  0 0 "[    .    1    .    2]" 1 
         73 1   9 LEU HB3  1  20 PHE HB2  . .  7.000 5.028 4.898 5.360     .  0 0 "[    .    1    .    2]" 1 
         74 1   9 LEU HB3  1  20 PHE HB3  . .  6.000 3.323 3.267 3.647     .  0 0 "[    .    1    .    2]" 1 
         75 1   9 LEU MD1  1  10 LYS H    . .  5.400 4.117 3.669 4.302     .  0 0 "[    .    1    .    2]" 1 
         76 1   9 LEU MD1  1  11 MET QG   . .  8.400 3.837 2.221 4.789     .  0 0 "[    .    1    .    2]" 1 
         77 1   9 LEU MD1  1  19 VAL HA   . .  6.200 4.354 4.006 4.546     .  0 0 "[    .    1    .    2]" 1 
         78 1   9 LEU MD1  1  20 PHE H    . .  6.200 2.933 2.679 3.161     .  0 0 "[    .    1    .    2]" 1 
         79 1   9 LEU MD1  1  20 PHE QD   . .  7.140 2.388 1.940 3.152     .  0 0 "[    .    1    .    2]" 1 
         80 1   9 LEU MD1  1  22 HIS H    . .  7.100 5.436 4.917 5.777     .  0 0 "[    .    1    .    2]" 1 
         81 1   9 LEU MD2  1  10 LYS H    . .  4.500 2.634 2.413 2.900     .  0 0 "[    .    1    .    2]" 1 
         82 1   9 LEU MD2  1  10 LYS HA   . .  5.600 3.514 3.145 4.004     .  0 0 "[    .    1    .    2]" 1 
         83 1   9 LEU MD2  1  10 LYS QB   . .  8.800 4.160 4.001 4.706     .  0 0 "[    .    1    .    2]" 1 
         84 1   9 LEU MD2  1  11 MET H    . .  8.000 4.261 3.947 4.996     .  0 0 "[    .    1    .    2]" 1 
         85 1   9 LEU MD2  1  11 MET HA   . .  6.300 3.863 3.672 4.215     .  0 0 "[    .    1    .    2]" 1 
         86 1   9 LEU MD2  1  11 MET QG   . .  6.500 4.240 2.986 4.757     .  0 0 "[    .    1    .    2]" 1 
         87 1   9 LEU MD2  1  12 GLU H    . .  8.000 5.527 5.090 5.789     .  0 0 "[    .    1    .    2]" 1 
         88 1   9 LEU MD2  1  20 PHE H    . .  6.500 4.301 3.928 4.865     .  0 0 "[    .    1    .    2]" 1 
         89 1   9 LEU MD2  1  20 PHE QD   . .  8.840 5.008 4.642 5.518     .  0 0 "[    .    1    .    2]" 1 
         90 1   9 LEU MD2  1  45 LYS HA   . .  7.000 5.611 5.493 5.678     .  0 0 "[    .    1    .    2]" 1 
         91 1   9 LEU MD2  1  45 LYS HG3  . .  6.400 4.331 4.169 4.671     .  0 0 "[    .    1    .    2]" 1 
         92 1   9 LEU HG   1  22 HIS HD1  . .  4.400 4.416 4.363 4.467 0.067 19 0 "[    .    1    .    2]" 1 
         93 1  10 LYS H    1  10 LYS QB   . .  3.600 2.390 2.213 2.748     .  0 0 "[    .    1    .    2]" 1 
         94 1  10 LYS H    1  10 LYS HG2  . .  4.200 3.650 2.605 4.265 0.065 16 0 "[    .    1    .    2]" 1 
         95 1  10 LYS H    1  10 LYS HG3  . .  5.400 4.396 3.856 4.680     .  0 0 "[    .    1    .    2]" 1 
         96 1  10 LYS H    1  11 MET H    . .  5.100 4.545 4.459 4.602     .  0 0 "[    .    1    .    2]" 1 
         97 1  10 LYS H    1  19 VAL MG1  . .  6.800 4.329 4.126 4.494     .  0 0 "[    .    1    .    2]" 1 
         98 1  10 LYS H    1  19 VAL MG2  . .  6.900 4.105 3.928 4.228     .  0 0 "[    .    1    .    2]" 1 
         99 1  10 LYS H    1  20 PHE H    . .  7.000 4.694 4.467 5.007     .  0 0 "[    .    1    .    2]" 1 
        100 1  10 LYS HA   1  11 MET H    . .  2.400 2.323 2.183 2.456 0.056 13 0 "[    .    1    .    2]" 1 
        101 1  10 LYS HA   1  18 VAL H    . .  5.800 4.234 4.090 4.395     .  0 0 "[    .    1    .    2]" 1 
        102 1  10 LYS QB   1  11 MET H    . .  5.000 3.331 2.580 3.860     .  0 0 "[    .    1    .    2]" 1 
        103 1  10 LYS QB   1  18 VAL H    . .  7.600 4.305 3.178 5.086     .  0 0 "[    .    1    .    2]" 1 
        104 1  10 LYS QB   1  19 VAL MG2  . .  6.000 1.742 1.656 1.876     .  0 0 "[    .    1    .    2]" 1 
        105 1  10 LYS QD   1  12 GLU HB3  . .  7.800 5.300 4.034 6.055     .  0 0 "[    .    1    .    2]" 1 
        106 1  10 LYS QD   1  19 VAL MG1  . .  7.500 4.424 3.491 5.163     .  0 0 "[    .    1    .    2]" 1 
        107 1  10 LYS QD   1  19 VAL MG2  . .  6.100 2.708 2.419 3.248     .  0 0 "[    .    1    .    2]" 1 
        108 1  10 LYS QE   1  19 VAL MG2  . .  5.480 3.517 2.484 4.110     .  0 0 "[    .    1    .    2]" 1 
        109 1  10 LYS HE2  1  19 VAL MG2  . .  5.700 4.134 3.013 4.638     .  0 0 "[    .    1    .    2]" 1 
        110 1  10 LYS HE3  1  19 VAL MG2  . .  5.700 3.937 2.537 4.802     .  0 0 "[    .    1    .    2]" 1 
        111 1  10 LYS HG2  1  11 MET H    . .  4.400 3.033 2.484 3.828     .  0 0 "[    .    1    .    2]" 1 
        112 1  10 LYS HG3  1  11 MET H    . .  4.600 3.011 2.563 4.226     .  0 0 "[    .    1    .    2]" 1 
        113 1  10 LYS HG3  1  12 GLU H    . .  6.400 4.907 3.847 5.813     .  0 0 "[    .    1    .    2]" 1 
        114 1  10 LYS HG3  1  19 VAL H    . .  6.000 5.046 4.061 6.029 0.029 13 0 "[    .    1    .    2]" 1 
        115 1  11 MET H    1  11 MET QB   . .  3.900 2.912 2.586 3.162     .  0 0 "[    .    1    .    2]" 1 
        116 1  11 MET H    1  11 MET QG   . .  4.700 2.042 1.846 2.510     .  0 0 "[    .    1    .    2]" 1 
        117 1  11 MET H    1  12 GLU H    . .  5.500 4.172 3.920 4.462     .  0 0 "[    .    1    .    2]" 1 
        118 1  11 MET H    1  12 GLU HA   . .  5.000 4.709 4.531 4.945     .  0 0 "[    .    1    .    2]" 1 
        119 1  11 MET H    1  18 VAL H    . .  3.900 2.531 2.230 2.797     .  0 0 "[    .    1    .    2]" 1 
        120 1  11 MET H    1  18 VAL HA   . .  6.400 4.654 4.360 4.827     .  0 0 "[    .    1    .    2]" 1 
        121 1  11 MET H    1  18 VAL HB   . .  4.600 3.803 3.697 4.024     .  0 0 "[    .    1    .    2]" 1 
        122 1  11 MET H    1  18 VAL MG1  . .  5.300 4.323 4.287 4.373     .  0 0 "[    .    1    .    2]" 1 
        123 1  11 MET H    1  18 VAL MG2  . .  7.700 4.882 4.737 5.065     .  0 0 "[    .    1    .    2]" 1 
        124 1  11 MET H    1  19 VAL H    . .  7.000 4.974 4.725 5.064     .  0 0 "[    .    1    .    2]" 1 
        125 1  11 MET H    1  19 VAL MG1  . .  7.700 5.440 5.247 5.541     .  0 0 "[    .    1    .    2]" 1 
        126 1  11 MET H    1  19 VAL MG2  . .  5.500 3.989 3.579 4.294     .  0 0 "[    .    1    .    2]" 1 
        127 1  11 MET H    1  20 PHE H    . .  5.000 4.502 4.354 4.629     .  0 0 "[    .    1    .    2]" 1 
        128 1  11 MET HA   1  11 MET QG   . .  3.800 3.166 2.601 3.380     .  0 0 "[    .    1    .    2]" 1 
        129 1  11 MET HA   1  12 GLU H    . .  2.800 2.221 2.202 2.270     .  0 0 "[    .    1    .    2]" 1 
        130 1  11 MET HA   1  12 GLU HA   . .  5.700 4.368 4.357 4.388     .  0 0 "[    .    1    .    2]" 1 
        131 1  11 MET HA   1  12 GLU HB2  . .  4.700 4.564 4.454 4.729 0.029 15 0 "[    .    1    .    2]" 1 
        132 1  11 MET HA   1  13 ALA H    . .  5.400 4.482 4.307 4.602     .  0 0 "[    .    1    .    2]" 1 
        133 1  11 MET HA   1  13 ALA MB   . .  7.500 4.677 4.375 4.826     .  0 0 "[    .    1    .    2]" 1 
        134 1  11 MET QB   1  13 ALA H    . .  8.000 3.523 3.419 3.662     .  0 0 "[    .    1    .    2]" 1 
        135 1  11 MET QB   1  18 VAL H    . .  5.200 4.132 2.815 4.612     .  0 0 "[    .    1    .    2]" 1 
        136 1  11 MET QB   1  18 VAL MG2  . .  7.400 5.150 3.993 5.536     .  0 0 "[    .    1    .    2]" 1 
        137 1  11 MET QB   1  65 TYR QE   . . 10.130 4.045 3.671 4.573     .  0 0 "[    .    1    .    2]" 1 
        138 1  11 MET ME   1  12 GLU H    . .  7.600 6.074 5.594 6.285     .  0 0 "[    .    1    .    2]" 1 
        139 1  11 MET ME   1  13 ALA H    . .  8.000 5.362 4.861 5.794     .  0 0 "[    .    1    .    2]" 1 
        140 1  11 MET ME   1  17 PRO HA   . .  7.600 6.096 5.752 6.411     .  0 0 "[    .    1    .    2]" 1 
        141 1  11 MET ME   1  18 VAL MG2  . .  7.200 4.497 3.959 5.003     .  0 0 "[    .    1    .    2]" 1 
        142 1  11 MET ME   1  46 CYS QB   . .  8.000 3.485 3.268 3.686     .  0 0 "[    .    1    .    2]" 1 
        143 1  11 MET ME   1  69 MET HB2  . .  7.600 5.495 5.173 5.991     .  0 0 "[    .    1    .    2]" 1 
        144 1  11 MET ME   1  69 MET ME   . .  4.200 2.805 2.388 2.941     .  0 0 "[    .    1    .    2]" 1 
        145 1  11 MET QG   1  12 GLU H    . .  6.400 4.397 4.281 4.552     .  0 0 "[    .    1    .    2]" 1 
        146 1  11 MET QG   1  13 ALA H    . .  7.400 4.358 3.720 5.559     .  0 0 "[    .    1    .    2]" 1 
        147 1  11 MET QG   1  17 PRO HA   . .  6.200 4.370 3.798 5.696     .  0 0 "[    .    1    .    2]" 1 
        148 1  11 MET QG   1  18 VAL H    . .  6.200 2.949 2.399 4.358     .  0 0 "[    .    1    .    2]" 1 
        149 1  11 MET QG   1  18 VAL HB   . .  6.500 2.997 2.456 4.471     .  0 0 "[    .    1    .    2]" 1 
        150 1  11 MET QG   1  18 VAL MG2  . .  8.300 4.117 3.631 5.473     .  0 0 "[    .    1    .    2]" 1 
        151 1  12 GLU H    1  12 GLU HB2  . .  3.700 2.846 2.707 3.326     .  0 0 "[    .    1    .    2]" 1 
        152 1  12 GLU H    1  12 GLU HB3  . .  3.600 2.614 2.538 2.652     .  0 0 "[    .    1    .    2]" 1 
        153 1  12 GLU H    1  13 ALA H    . .  3.500 3.511 3.230 3.605 0.105 11 0 "[    .    1    .    2]" 1 
        154 1  12 GLU H    1  14 THR H    . .  5.300 5.186 5.012 5.252     .  0 0 "[    .    1    .    2]" 1 
        155 1  12 GLU HA   1  12 GLU HG3  . .  3.500 3.489 3.414 3.521 0.021  3 0 "[    .    1    .    2]" 1 
        156 1  12 GLU HA   1  13 ALA H    . .  2.800 2.515 2.491 2.558     .  0 0 "[    .    1    .    2]" 1 
        157 1  12 GLU HB2  1  12 GLU HG2  . .  2.600 2.702 2.662 2.829 0.229 13 0 "[    .    1    .    2]" 1 
        158 1  12 GLU HB2  1  12 GLU HG3  . .  3.000 2.313 2.267 2.331     .  0 0 "[    .    1    .    2]" 1 
        159 1  12 GLU HB2  1  13 ALA H    . .  5.100 4.722 4.697 4.727     .  0 0 "[    .    1    .    2]" 1 
        160 1  12 GLU HB2  1  14 THR H    . .  5.900 5.398 5.299 5.548     .  0 0 "[    .    1    .    2]" 1 
        161 1  12 GLU HB3  1  13 ALA H    . .  4.500 4.516 4.499 4.579 0.079 13 0 "[    .    1    .    2]" 1 
        162 1  12 GLU HB3  1  14 THR H    . .  5.700 5.278 5.068 5.706 0.006 13 0 "[    .    1    .    2]" 1 
        163 1  12 GLU HB3  1  18 VAL H    . .  6.200 6.200 5.899 6.337 0.137 12 0 "[    .    1    .    2]" 1 
        164 1  12 GLU HG2  1  13 ALA H    . .  4.400 4.248 4.026 4.318     .  0 0 "[    .    1    .    2]" 1 
        165 1  12 GLU HG2  1  14 THR H    . .  4.600 3.810 3.622 4.046     .  0 0 "[    .    1    .    2]" 1 
        166 1  12 GLU HG3  1  13 ALA H    . .  5.600 5.635 5.444 5.687 0.087  8 0 "[    .    1    .    2]" 1 
        167 1  13 ALA H    1  13 ALA MB   . .  3.100 2.206 2.072 2.333     .  0 0 "[    .    1    .    2]" 1 
        168 1  13 ALA H    1  14 THR H    . .  2.700 2.133 1.980 2.299     .  0 0 "[    .    1    .    2]" 1 
        169 1  13 ALA H    1  14 THR HA   . .  5.400 4.808 4.671 4.953     .  0 0 "[    .    1    .    2]" 1 
        170 1  13 ALA H    1  14 THR HG1  . .  4.300 3.673 3.357 4.101     .  0 0 "[    .    1    .    2]" 1 
        171 1  13 ALA H    1  14 THR MG   . .  4.800 3.330 3.026 3.798     .  0 0 "[    .    1    .    2]" 1 
        172 1  13 ALA H    1  17 PRO HB3  . .  7.000 4.691 4.267 5.028     .  0 0 "[    .    1    .    2]" 1 
        173 1  13 ALA H    1  17 PRO QG   . .  7.800 6.137 5.714 6.452     .  0 0 "[    .    1    .    2]" 1 
        174 1  13 ALA H    1  55 MET ME   . .  7.700 5.787 5.357 6.057     .  0 0 "[    .    1    .    2]" 1 
        175 1  13 ALA HA   1  14 THR H    . .  3.500 3.436 3.398 3.488     .  0 0 "[    .    1    .    2]" 1 
        176 1  13 ALA HA   1  14 THR MG   . .  5.400 4.065 3.985 4.137     .  0 0 "[    .    1    .    2]" 1 
        177 1  13 ALA MB   1  14 THR H    . .  3.900 3.171 3.050 3.270     .  0 0 "[    .    1    .    2]" 1 
        178 1  13 ALA MB   1  14 THR HA   . .  5.600 4.217 4.146 4.278     .  0 0 "[    .    1    .    2]" 1 
        179 1  13 ALA MB   1  14 THR HB   . .  7.100 4.977 4.866 5.087     .  0 0 "[    .    1    .    2]" 1 
        180 1  13 ALA MB   1  14 THR MG   . .  4.300 2.441 2.305 2.599     .  0 0 "[    .    1    .    2]" 1 
        181 1  13 ALA MB   1  55 MET HA   . .  7.400 5.894 5.672 6.043     .  0 0 "[    .    1    .    2]" 1 
        182 1  13 ALA MB   1  65 TYR QD   . .  6.940 3.608 3.434 3.738     .  0 0 "[    .    1    .    2]" 1 
        183 1  14 THR H    1  14 THR HG1  . .  3.000 2.108 1.957 2.363     .  0 0 "[    .    1    .    2]" 1 
        184 1  14 THR H    1  14 THR MG   . .  3.700 2.557 2.380 2.906     .  0 0 "[    .    1    .    2]" 1 
        185 1  14 THR H    1  15 LYS H    . .  6.400 4.424 4.415 4.434     .  0 0 "[    .    1    .    2]" 1 
        186 1  14 THR H    1  16 GLN H    . .  5.100 3.859 3.781 3.937     .  0 0 "[    .    1    .    2]" 1 
        187 1  14 THR H    1  16 GLN HG2  . .  6.600 6.600 6.518 6.644 0.044 12 0 "[    .    1    .    2]" 1 
        188 1  14 THR H    1  17 PRO HB3  . .  6.600 4.774 4.476 5.064     .  0 0 "[    .    1    .    2]" 1 
        189 1  14 THR H    1  17 PRO QD   . .  8.000 5.120 4.921 5.279     .  0 0 "[    .    1    .    2]" 1 
        190 1  14 THR H    1  17 PRO QG   . .  6.800 5.679 5.371 5.946     .  0 0 "[    .    1    .    2]" 1 
        191 1  14 THR H    1  55 MET ME   . .  7.400 5.591 5.252 5.828     .  0 0 "[    .    1    .    2]" 1 
        192 1  14 THR HA   1  14 THR MG   . .  3.200 2.593 2.435 2.668     .  0 0 "[    .    1    .    2]" 1 
        193 1  14 THR HA   1  15 LYS H    . .  2.900 2.601 2.580 2.645     .  0 0 "[    .    1    .    2]" 1 
        194 1  14 THR HA   1  15 LYS HB2  . .  5.800 4.532 4.485 4.578     .  0 0 "[    .    1    .    2]" 1 
        195 1  14 THR HA   1  15 LYS HB3  . .  5.100 5.147 5.132 5.162 0.062 18 0 "[    .    1    .    2]" 1 
        196 1  14 THR HA   1  15 LYS QD   . .  8.000 6.308 5.883 6.751     .  0 0 "[    .    1    .    2]" 1 
        197 1  14 THR HA   1  15 LYS QG   . .  6.600 5.804 5.726 5.888     .  0 0 "[    .    1    .    2]" 1 
        198 1  14 THR HA   1  16 GLN H    . .  4.100 3.957 3.927 4.007     .  0 0 "[    .    1    .    2]" 1 
        199 1  14 THR HA   1  16 GLN HB2  . .  7.000 6.337 6.300 6.376     .  0 0 "[    .    1    .    2]" 1 
        200 1  14 THR HA   1  55 MET ME   . .  5.900 4.717 4.612 4.777     .  0 0 "[    .    1    .    2]" 1 
        201 1  14 THR HB   1  15 LYS H    . .  3.100 2.400 2.278 2.470     .  0 0 "[    .    1    .    2]" 1 
        202 1  14 THR HB   1  15 LYS HA   . .  5.200 4.951 4.799 5.034     .  0 0 "[    .    1    .    2]" 1 
        203 1  14 THR HB   1  15 LYS HB2  . .  6.000 4.702 4.589 4.775     .  0 0 "[    .    1    .    2]" 1 
        204 1  14 THR HB   1  15 LYS HB3  . .  6.300 4.523 4.319 4.628     .  0 0 "[    .    1    .    2]" 1 
        205 1  14 THR HB   1  15 LYS QG   . .  7.600 5.941 5.778 6.016     .  0 0 "[    .    1    .    2]" 1 
        206 1  14 THR HB   1  16 GLN H    . .  4.300 3.059 2.792 3.264     .  0 0 "[    .    1    .    2]" 1 
        207 1  14 THR HB   1  16 GLN HB2  . .  5.700 4.634 4.356 4.840     .  0 0 "[    .    1    .    2]" 1 
        208 1  14 THR HB   1  16 GLN HB3  . .  7.000 6.237 5.955 6.446     .  0 0 "[    .    1    .    2]" 1 
        209 1  14 THR HB   1  16 GLN HG3  . .  6.500 5.182 4.841 5.417     .  0 0 "[    .    1    .    2]" 1 
        210 1  14 THR HB   1  55 MET ME   . .  7.200 5.285 5.084 5.493     .  0 0 "[    .    1    .    2]" 1 
        211 1  14 THR HG1  1  16 GLN H    . .  3.300 2.373 1.946 2.649     .  0 0 "[    .    1    .    2]" 1 
        212 1  14 THR MG   1  15 LYS H    . .  4.700 3.928 3.788 3.994     .  0 0 "[    .    1    .    2]" 1 
        213 1  14 THR MG   1  16 GLN H    . .  5.700 3.966 3.860 4.097     .  0 0 "[    .    1    .    2]" 1 
        214 1  14 THR MG   1  18 VAL MG2  . .  9.000 5.218 4.876 5.554     .  0 0 "[    .    1    .    2]" 1 
        215 1  15 LYS H    1  15 LYS HB2  . .  3.100 2.384 2.367 2.430     .  0 0 "[    .    1    .    2]" 1 
        216 1  15 LYS H    1  15 LYS QD   . .  6.000 4.303 4.152 4.562     .  0 0 "[    .    1    .    2]" 1 
        217 1  15 LYS H    1  15 LYS QG   . .  4.800 3.933 3.911 3.958     .  0 0 "[    .    1    .    2]" 1 
        218 1  15 LYS H    1  16 GLN H    . .  3.700 2.610 2.567 2.622     .  0 0 "[    .    1    .    2]" 1 
        219 1  15 LYS H    1  17 PRO QD   . .  8.000 5.388 5.156 5.535     .  0 0 "[    .    1    .    2]" 1 
        220 1  15 LYS HA   1  15 LYS HB2  . .  2.900 2.519 2.508 2.529     .  0 0 "[    .    1    .    2]" 1 
        221 1  15 LYS HA   1  15 LYS QG   . .  3.800 2.263 2.199 2.378     .  0 0 "[    .    1    .    2]" 1 
        222 1  15 LYS HB2  1  16 GLN H    . .  4.500 4.255 4.216 4.318     .  0 0 "[    .    1    .    2]" 1 
        223 1  15 LYS HB3  1  16 GLN H    . .  5.600 3.467 3.371 3.618     .  0 0 "[    .    1    .    2]" 1 
        224 1  15 LYS HB3  1  16 GLN HB3  . .  5.600 5.680 5.661 5.705 0.105 17 0 "[    .    1    .    2]" 1 
        225 1  15 LYS QG   1  16 GLN H    . .  7.700 4.366 4.297 4.571     .  0 0 "[    .    1    .    2]" 1 
        226 1  16 GLN H    1  16 GLN HB2  . .  3.900 2.756 2.698 2.843     .  0 0 "[    .    1    .    2]" 1 
        227 1  16 GLN H    1  16 GLN HG2  . .  4.400 2.746 2.671 2.822     .  0 0 "[    .    1    .    2]" 1 
        228 1  16 GLN H    1  16 GLN HG3  . .  4.000 3.613 3.416 3.768     .  0 0 "[    .    1    .    2]" 1 
        229 1  16 GLN H    1  17 PRO HA   . .  5.400 4.637 4.496 4.718     .  0 0 "[    .    1    .    2]" 1 
        230 1  16 GLN H    1  17 PRO QD   . .  4.800 3.624 3.414 3.732     .  0 0 "[    .    1    .    2]" 1 
        231 1  16 GLN H    1  17 PRO QG   . .  7.100 5.344 5.119 5.457     .  0 0 "[    .    1    .    2]" 1 
        232 1  16 GLN HA   1  16 GLN HB3  . .  3.000 2.438 2.407 2.447     .  0 0 "[    .    1    .    2]" 1 
        233 1  16 GLN HA   1  16 GLN HG2  . .  2.800 2.738 2.669 2.773     .  0 0 "[    .    1    .    2]" 1 
        234 1  16 GLN HB2  1  16 GLN HE21 . .  3.400 3.147 2.842 3.511 0.111  5 0 "[    .    1    .    2]" 1 
        235 1  16 GLN HB2  1  16 GLN HE22 . .  4.600 4.575 4.356 4.691 0.091  5 0 "[    .    1    .    2]" 1 
        236 1  16 GLN HB2  1 106 HIS HE1  . .  3.100 2.654 2.422 2.827     .  0 0 "[    .    1    .    2]" 1 
        237 1  16 GLN HB3  1  16 GLN HE21 . .  3.900 2.225 2.084 2.284     .  0 0 "[    .    1    .    2]" 1 
        238 1  16 GLN HB3  1  16 GLN HE22 . .  4.000 3.313 3.223 3.344     .  0 0 "[    .    1    .    2]" 1 
        239 1  16 GLN HB3  1  17 PRO QD   . .  5.900 3.624 3.515 3.778     .  0 0 "[    .    1    .    2]" 1 
        240 1  16 GLN HB3  1  18 VAL MG2  . .  5.400 4.078 3.986 4.219     .  0 0 "[    .    1    .    2]" 1 
        241 1  16 GLN HB3  1 106 HIS HA   . .  7.000 5.147 4.940 5.265     .  0 0 "[    .    1    .    2]" 1 
        242 1  16 GLN HB3  1 106 HIS HD1  . .  3.400 2.815 2.565 3.004     .  0 0 "[    .    1    .    2]" 1 
        243 1  16 GLN HB3  1 106 HIS HE1  . .  3.200 2.661 2.447 2.895     .  0 0 "[    .    1    .    2]" 1 
        244 1  16 GLN HE21 1 106 HIS HD1  . .  5.000 3.601 3.416 4.002     .  0 0 "[    .    1    .    2]" 1 
        245 1  16 GLN HE22 1 106 HIS HD1  . .  5.700 4.293 4.158 4.663     .  0 0 "[    .    1    .    2]" 1 
        246 1  16 GLN HE22 1 106 HIS HE1  . .  5.300 5.202 5.043 5.327 0.027  5 0 "[    .    1    .    2]" 1 
        247 1  16 GLN HG3  1  17 PRO QD   . .  7.900 5.248 5.221 5.294     .  0 0 "[    .    1    .    2]" 1 
        248 1  17 PRO HA   1  18 VAL HA   . .  5.000 4.390 4.357 4.458     .  0 0 "[    .    1    .    2]" 1 
        249 1  17 PRO HA   1  18 VAL MG2  . .  4.600 3.463 3.298 3.579     .  0 0 "[    .    1    .    2]" 1 
        250 1  17 PRO HA   1  19 VAL MG2  . .  8.000 5.755 5.637 5.971     .  0 0 "[    .    1    .    2]" 1 
        251 1  17 PRO HA   1 106 HIS HE1  . .  6.000 5.106 4.827 5.399     .  0 0 "[    .    1    .    2]" 1 
        252 1  17 PRO HB2  1  18 VAL H    . .  3.400 2.820 2.489 3.019     .  0 0 "[    .    1    .    2]" 1 
        253 1  17 PRO HB2  1  18 VAL MG2  . .  7.400 4.658 4.507 4.744     .  0 0 "[    .    1    .    2]" 1 
        254 1  17 PRO QD   1  18 VAL MG2  . .  9.000 4.547 4.476 4.614     .  0 0 "[    .    1    .    2]" 1 
        255 1  18 VAL H    1  18 VAL HB   . .  3.100 2.756 2.673 2.881     .  0 0 "[    .    1    .    2]" 1 
        256 1  18 VAL H    1  18 VAL MG2  . .  3.900 3.180 3.136 3.231     .  0 0 "[    .    1    .    2]" 1 
        257 1  18 VAL H    1  19 VAL H    . .  5.100 4.368 4.294 4.407     .  0 0 "[    .    1    .    2]" 1 
        258 1  18 VAL H    1  19 VAL MG2  . .  8.000 4.087 3.968 4.149     .  0 0 "[    .    1    .    2]" 1 
        259 1  18 VAL HA   1  18 VAL MG1  . .  3.500 2.449 2.381 2.532     .  0 0 "[    .    1    .    2]" 1 
        260 1  18 VAL HA   1  18 VAL MG2  . .  3.100 2.235 2.201 2.296     .  0 0 "[    .    1    .    2]" 1 
        261 1  18 VAL HA   1  19 VAL H    . .  2.500 2.343 2.296 2.382     .  0 0 "[    .    1    .    2]" 1 
        262 1  18 VAL HA   1  19 VAL MG2  . .  4.900 3.621 3.505 3.719     .  0 0 "[    .    1    .    2]" 1 
        263 1  18 VAL HA   1 106 HIS HE1  . .  5.300 5.228 5.052 5.316 0.016 12 0 "[    .    1    .    2]" 1 
        264 1  18 VAL HB   1  19 VAL H    . .  4.100 3.984 3.900 4.085     .  0 0 "[    .    1    .    2]" 1 
        265 1  18 VAL MG1  1  19 VAL H    . .  3.700 2.055 1.920 2.303     .  0 0 "[    .    1    .    2]" 1 
        266 1  18 VAL MG1  1  20 PHE H    . .  5.100 3.872 3.642 4.102     .  0 0 "[    .    1    .    2]" 1 
        267 1  18 VAL MG1  1  20 PHE QD   . .  8.640 4.173 3.926 4.385     .  0 0 "[    .    1    .    2]" 1 
        268 1  18 VAL MG1  1 105 CYS H    . .  7.100 4.859 4.603 5.187     .  0 0 "[    .    1    .    2]" 1 
        269 1  18 VAL MG1  1 105 CYS HA   . .  4.000 2.513 2.173 2.778     .  0 0 "[    .    1    .    2]" 1 
        270 1  18 VAL MG1  1 106 HIS H    . .  7.100 4.880 4.607 5.211     .  0 0 "[    .    1    .    2]" 1 
        271 1  18 VAL MG1  1 106 HIS HD1  . .  6.100 4.954 4.750 5.031     .  0 0 "[    .    1    .    2]" 1 
        272 1  18 VAL MG2  1  19 VAL H    . .  4.600 3.819 3.687 3.858     .  0 0 "[    .    1    .    2]" 1 
        273 1  18 VAL MG2  1  19 VAL MG2  . .  9.000 5.014 4.970 5.054     .  0 0 "[    .    1    .    2]" 1 
        274 1  18 VAL MG2  1  70 HIS HE1  . .  8.000 5.084 4.895 5.294     .  0 0 "[    .    1    .    2]" 1 
        275 1  18 VAL MG2  1 105 CYS H    . .  7.900 5.445 5.257 5.581     .  0 0 "[    .    1    .    2]" 1 
        276 1  18 VAL MG2  1 105 CYS HA   . .  4.900 3.773 3.570 3.944     .  0 0 "[    .    1    .    2]" 1 
        277 1  18 VAL MG2  1 105 CYS HB2  . .  4.900 3.926 3.804 3.996     .  0 0 "[    .    1    .    2]" 1 
        278 1  18 VAL MG2  1 105 CYS HB3  . .  3.900 2.623 2.530 2.814     .  0 0 "[    .    1    .    2]" 1 
        279 1  18 VAL MG2  1 106 HIS H    . .  6.800 4.464 4.250 4.602     .  0 0 "[    .    1    .    2]" 1 
        280 1  18 VAL MG2  1 106 HIS HA   . .  5.300 3.648 3.234 3.944     .  0 0 "[    .    1    .    2]" 1 
        281 1  18 VAL MG2  1 106 HIS HD1  . .  3.800 2.826 2.617 2.996     .  0 0 "[    .    1    .    2]" 1 
        282 1  18 VAL MG2  1 106 HIS HD2  . .  6.300 4.671 4.440 4.914     .  0 0 "[    .    1    .    2]" 1 
        283 1  18 VAL MG2  1 106 HIS HE1  . .  3.100 2.484 2.406 2.567     .  0 0 "[    .    1    .    2]" 1 
        284 1  18 VAL MG2  1 107 GLU H    . .  8.000 5.340 4.973 5.721     .  0 0 "[    .    1    .    2]" 1 
        285 1  19 VAL H    1  19 VAL HB   . .  2.500 2.443 2.389 2.506 0.006  8 0 "[    .    1    .    2]" 1 
        286 1  19 VAL H    1  19 VAL MG1  . .  4.600 3.722 3.704 3.737     .  0 0 "[    .    1    .    2]" 1 
        287 1  19 VAL H    1  19 VAL MG2  . .  3.700 2.949 2.779 3.066     .  0 0 "[    .    1    .    2]" 1 
        288 1  19 VAL H    1  20 PHE H    . .  4.900 4.264 4.194 4.349     .  0 0 "[    .    1    .    2]" 1 
        289 1  19 VAL MG1  1  20 PHE H    . .  3.900 2.962 2.763 3.123     .  0 0 "[    .    1    .    2]" 1 
        290 1  19 VAL MG1  1  21 ASN H    . .  7.400 4.923 4.429 5.158     .  0 0 "[    .    1    .    2]" 1 
        291 1  19 VAL MG1  1  21 ASN HD21 . .  5.600 3.911 3.307 4.660     .  0 0 "[    .    1    .    2]" 1 
        292 1  19 VAL MG1  1  21 ASN HD22 . .  4.600 2.894 2.328 3.638     .  0 0 "[    .    1    .    2]" 1 
        293 1  19 VAL MG2  1  20 PHE H    . .  4.900 4.068 4.033 4.112     .  0 0 "[    .    1    .    2]" 1 
        294 1  19 VAL MG2  1  21 ASN HD22 . .  8.000 5.519 5.063 6.137     .  0 0 "[    .    1    .    2]" 1 
        295 1  20 PHE H    1  20 PHE HB2  . .  3.800 2.633 2.439 2.742     .  0 0 "[    .    1    .    2]" 1 
        296 1  20 PHE H    1  20 PHE HB3  . .  3.800 2.337 2.235 2.430     .  0 0 "[    .    1    .    2]" 1 
        297 1  20 PHE H    1  21 ASN H    . .  6.900 4.547 4.510 4.580     .  0 0 "[    .    1    .    2]" 1 
        298 1  20 PHE HA   1  20 PHE HB2  . .  2.900 2.566 2.515 2.625     .  0 0 "[    .    1    .    2]" 1 
        299 1  20 PHE HA   1  21 ASN H    . .  2.900 2.444 2.241 2.622     .  0 0 "[    .    1    .    2]" 1 
        300 1  20 PHE HB2  1  21 ASN H    . .  5.700 3.992 3.839 4.272     .  0 0 "[    .    1    .    2]" 1 
        301 1  20 PHE QD   1  22 HIS HE1  . .  6.540 3.205 3.067 3.514     .  0 0 "[    .    1    .    2]" 1 
        302 1  20 PHE QE   1  25 HIS HB2  . .  7.830 3.761 3.382 4.030     .  0 0 "[    .    1    .    2]" 1 
        303 1  20 PHE QE   1  25 HIS HD1  . .  6.110 3.486 3.227 3.694     .  0 0 "[    .    1    .    2]" 1 
        304 1  20 PHE HE1  1  25 HIS HD1  . .  7.000 3.689 3.325 4.053     .  0 0 "[    .    1    .    2]" 1 
        305 1  20 PHE HE2  1  25 HIS HD1  . .  7.000 4.356 3.806 4.767     .  0 0 "[    .    1    .    2]" 1 
        306 1  20 PHE HZ   1  22 HIS HA   . .  4.900 4.107 3.636 4.428     .  0 0 "[    .    1    .    2]" 1 
        307 1  20 PHE HZ   1  25 HIS HB2  . .  3.500 2.927 2.505 3.253     .  0 0 "[    .    1    .    2]" 1 
        308 1  20 PHE HZ   1  25 HIS HD1  . .  4.500 3.436 3.184 3.758     .  0 0 "[    .    1    .    2]" 1 
        309 1  20 PHE HZ   1  25 HIS HD2  . .  4.400 4.277 3.738 4.410 0.010  5 0 "[    .    1    .    2]" 1 
        310 1  21 ASN H    1  21 ASN HD21 . .  5.200 3.799 2.896 4.928     .  0 0 "[    .    1    .    2]" 1 
        311 1  21 ASN H    1  25 HIS HD1  . .  5.900 3.386 3.319 3.472     .  0 0 "[    .    1    .    2]" 1 
        312 1  21 ASN HB2  1  22 HIS H    . .  5.900 4.139 3.876 4.496     .  0 0 "[    .    1    .    2]" 1 
        313 1  21 ASN HB2  1  24 THR H    . .  4.000 3.381 3.058 3.564     .  0 0 "[    .    1    .    2]" 1 
        314 1  21 ASN HB2  1  24 THR MG   . .  4.500 3.663 3.415 3.760     .  0 0 "[    .    1    .    2]" 1 
        315 1  21 ASN HB3  1  24 THR H    . .  5.400 3.136 3.003 3.339     .  0 0 "[    .    1    .    2]" 1 
        316 1  21 ASN HB3  1  24 THR MG   . .  5.500 4.618 4.595 4.638     .  0 0 "[    .    1    .    2]" 1 
        317 1  21 ASN HD21 1  24 THR HB   . .  5.700 4.907 4.205 5.680     .  0 0 "[    .    1    .    2]" 1 
        318 1  21 ASN HD21 1  24 THR MG   . .  8.000 5.333 4.549 6.391     .  0 0 "[    .    1    .    2]" 1 
        319 1  22 HIS H    1  22 HIS HB2  . .  4.100 2.235 2.173 2.279     .  0 0 "[    .    1    .    2]" 1 
        320 1  22 HIS H    1  22 HIS HB3  . .  3.800 3.490 3.458 3.510     .  0 0 "[    .    1    .    2]" 1 
        321 1  22 HIS H    1  22 HIS HD1  . .  4.400 3.101 2.668 3.348     .  0 0 "[    .    1    .    2]" 1 
        322 1  22 HIS H    1  25 HIS HD1  . .  7.000 5.053 4.971 5.210     .  0 0 "[    .    1    .    2]" 1 
        323 1  22 HIS HA   1  22 HIS HD2  . .  4.500 3.278 3.216 3.343     .  0 0 "[    .    1    .    2]" 1 
        324 1  22 HIS HA   1  25 HIS H    . .  4.500 3.025 2.917 3.186     .  0 0 "[    .    1    .    2]" 1 
        325 1  22 HIS HA   1  25 HIS HB3  . .  5.000 4.902 4.774 5.008 0.008 16 0 "[    .    1    .    2]" 1 
        326 1  22 HIS HA   1  25 HIS HD1  . .  3.900 3.491 3.358 3.745     .  0 0 "[    .    1    .    2]" 1 
        327 1  22 HIS HB2  1  22 HIS HD2  . .  4.000 3.929 3.913 3.944     .  0 0 "[    .    1    .    2]" 1 
        328 1  22 HIS HB2  1  23 SER H    . .  5.800 3.319 3.181 3.579     .  0 0 "[    .    1    .    2]" 1 
        329 1  22 HIS HB2  1  25 HIS H    . .  6.000 5.595 5.458 5.784     .  0 0 "[    .    1    .    2]" 1 
        330 1  22 HIS HB3  1  22 HIS HD2  . .  3.400 2.848 2.825 2.871     .  0 0 "[    .    1    .    2]" 1 
        331 1  22 HIS HB3  1  23 SER H    . .  6.100 3.901 3.761 4.073     .  0 0 "[    .    1    .    2]" 1 
        332 1  22 HIS HD2  1  25 HIS HB3  . .  6.100 5.746 5.577 5.890     .  0 0 "[    .    1    .    2]" 1 
        333 1  22 HIS HD2  1  30 CYS HA   . .  5.200 5.221 5.186 5.256 0.056 16 0 "[    .    1    .    2]" 1 
        334 1  23 SER H    1  24 THR H    . .  6.800 2.532 2.311 2.602     .  0 0 "[    .    1    .    2]" 1 
        335 1  23 SER HA   1  25 HIS H    . .  4.600 4.371 4.274 4.488     .  0 0 "[    .    1    .    2]" 1 
        336 1  23 SER HA   1  25 HIS HD1  . .  7.000 6.382 6.308 6.447     .  0 0 "[    .    1    .    2]" 1 
        337 1  23 SER HA   1  26 LYS H    . .  4.600 4.255 4.216 4.302     .  0 0 "[    .    1    .    2]" 1 
        338 1  23 SER HA   1  26 LYS HD2  . .  3.400 2.114 1.992 3.171     .  0 0 "[    .    1    .    2]" 1 
        339 1  23 SER QB   1  26 LYS HG3  . .  5.780 4.114 3.879 4.353     .  0 0 "[    .    1    .    2]" 1 
        340 1  24 THR H    1  24 THR HB   . .  2.800 2.374 2.331 2.398     .  0 0 "[    .    1    .    2]" 1 
        341 1  24 THR H    1  24 THR MG   . .  4.600 3.746 3.722 3.760     .  0 0 "[    .    1    .    2]" 1 
        342 1  24 THR H    1  25 HIS HD1  . .  4.100 3.323 3.254 3.356     .  0 0 "[    .    1    .    2]" 1 
        343 1  24 THR HA   1  24 THR MG   . .  3.500 2.445 2.351 2.527     .  0 0 "[    .    1    .    2]" 1 
        344 1  24 THR HA   1  25 HIS HD1  . .  5.600 4.907 4.801 4.986     .  0 0 "[    .    1    .    2]" 1 
        345 1  24 THR HA   1  26 LYS H    . .  4.800 3.633 3.592 3.682     .  0 0 "[    .    1    .    2]" 1 
        346 1  24 THR HB   1  25 HIS H    . .  3.500 2.929 2.838 3.002     .  0 0 "[    .    1    .    2]" 1 
        347 1  24 THR HB   1  25 HIS HB2  . .  4.900 4.763 4.726 4.804     .  0 0 "[    .    1    .    2]" 1 
        348 1  24 THR HB   1  25 HIS HD1  . .  3.200 2.556 2.493 2.635     .  0 0 "[    .    1    .    2]" 1 
        349 1  24 THR HB   1  25 HIS HE1  . .  3.500 3.532 3.509 3.548 0.048  3 0 "[    .    1    .    2]" 1 
        350 1  24 THR HB   1  26 LYS H    . .  7.000 5.107 5.016 5.168     .  0 0 "[    .    1    .    2]" 1 
        351 1  24 THR MG   1  25 HIS H    . .  5.100 3.732 3.633 3.817     .  0 0 "[    .    1    .    2]" 1 
        352 1  24 THR MG   1  25 HIS HA   . .  5.000 3.830 3.709 3.958     .  0 0 "[    .    1    .    2]" 1 
        353 1  24 THR MG   1  25 HIS HD1  . .  4.800 3.434 3.218 3.554     .  0 0 "[    .    1    .    2]" 1 
        354 1  24 THR MG   1  25 HIS HD2  . .  6.800 4.844 4.647 4.947     .  0 0 "[    .    1    .    2]" 1 
        355 1  24 THR MG   1  25 HIS HE1  . .  4.300 3.244 2.973 3.427     .  0 0 "[    .    1    .    2]" 1 
        356 1  24 THR MG   1  26 LYS H    . .  7.100 4.607 4.561 4.684     .  0 0 "[    .    1    .    2]" 1 
        357 1  25 HIS H    1  25 HIS HB2  . .  3.000 2.492 2.481 2.509     .  0 0 "[    .    1    .    2]" 1 
        358 1  25 HIS H    1  25 HIS HB3  . .  3.500 3.647 3.633 3.660 0.160 13 0 "[    .    1    .    2]" 1 
        359 1  25 HIS H    1  25 HIS HD1  . .  3.100 2.424 2.346 2.493     .  0 0 "[    .    1    .    2]" 1 
        360 1  25 HIS H    1  25 HIS HE1  . .  5.000 4.811 4.711 4.877     .  0 0 "[    .    1    .    2]" 1 
        361 1  25 HIS H    1  26 LYS H    . .  2.900 2.919 2.890 2.934 0.034 18 0 "[    .    1    .    2]" 1 
        362 1  25 HIS H    1  26 LYS HA   . .  4.800 4.516 4.479 4.558     .  0 0 "[    .    1    .    2]" 1 
        363 1  25 HIS H    1  26 LYS HB2  . .  6.700 5.297 5.270 5.325     .  0 0 "[    .    1    .    2]" 1 
        364 1  25 HIS H    1  26 LYS QB   . .  6.440 4.953 4.931 4.984     .  0 0 "[    .    1    .    2]" 1 
        365 1  25 HIS H    1  26 LYS HB3  . .  6.700 5.954 5.923 6.001     .  0 0 "[    .    1    .    2]" 1 
        366 1  25 HIS H    1  26 LYS HG2  . .  5.400 4.441 4.355 4.647     .  0 0 "[    .    1    .    2]" 1 
        367 1  25 HIS H    1  26 LYS HG3  . .  5.400 3.433 3.339 3.500     .  0 0 "[    .    1    .    2]" 1 
        368 1  25 HIS HA   1  25 HIS HB2  . .  3.000 3.032 3.030 3.032 0.032 18 0 "[    .    1    .    2]" 1 
        369 1  25 HIS HA   1  25 HIS HB3  . .  2.700 2.471 2.457 2.480     .  0 0 "[    .    1    .    2]" 1 
        370 1  25 HIS HA   1  25 HIS HD1  . .  5.000 3.911 3.844 3.969     .  0 0 "[    .    1    .    2]" 1 
        371 1  25 HIS HA   1  26 LYS H    . .  3.300 2.894 2.868 2.919     .  0 0 "[    .    1    .    2]" 1 
        372 1  25 HIS HA   1  28 VAL MG2  . .  3.700 2.104 1.981 2.362     .  0 0 "[    .    1    .    2]" 1 
        373 1  25 HIS HB2  1  25 HIS HD1  . .  3.300 2.725 2.700 2.754     .  0 0 "[    .    1    .    2]" 1 
        374 1  25 HIS HB2  1  26 LYS H    . .  5.300 4.273 4.245 4.298     .  0 0 "[    .    1    .    2]" 1 
        375 1  25 HIS HB2  1  26 LYS HA   . .  7.000 4.788 4.756 4.806     .  0 0 "[    .    1    .    2]" 1 
        376 1  25 HIS HB2  1  28 VAL H    . .  7.000 4.640 4.582 4.723     .  0 0 "[    .    1    .    2]" 1 
        377 1  25 HIS HB2  1  28 VAL HB   . .  4.100 3.494 3.443 3.591     .  0 0 "[    .    1    .    2]" 1 
        378 1  25 HIS HB3  1  25 HIS HD1  . .  3.800 3.819 3.811 3.827 0.027 15 0 "[    .    1    .    2]" 1 
        379 1  25 HIS HB3  1  25 HIS HD2  . .  3.500 2.760 2.747 2.772     .  0 0 "[    .    1    .    2]" 1 
        380 1  25 HIS HB3  1  26 LYS H    . .  5.700 4.556 4.550 4.566     .  0 0 "[    .    1    .    2]" 1 
        381 1  25 HIS HB3  1  28 VAL H    . .  4.700 3.618 3.565 3.697     .  0 0 "[    .    1    .    2]" 1 
        382 1  25 HIS HB3  1  28 VAL MG2  . .  4.500 2.303 2.103 2.492     .  0 0 "[    .    1    .    2]" 1 
        383 1  25 HIS HD1  1  26 LYS H    . .  5.400 5.189 5.134 5.256     .  0 0 "[    .    1    .    2]" 1 
        384 1  25 HIS HD1  1  26 LYS HG3  . .  6.600 5.827 5.780 5.927     .  0 0 "[    .    1    .    2]" 1 
        385 1  25 HIS HD2  1  28 VAL H    . .  6.600 5.489 5.435 5.586     .  0 0 "[    .    1    .    2]" 1 
        386 1  25 HIS HD2  1  28 VAL HB   . .  4.800 3.930 3.893 4.007     .  0 0 "[    .    1    .    2]" 1 
        387 1  25 HIS HD2  1  28 VAL MG2  . .  3.700 2.430 2.226 2.595     .  0 0 "[    .    1    .    2]" 1 
        388 1  26 LYS H    1  26 LYS HA   . .  2.800 2.821 2.811 2.828 0.028 20 0 "[    .    1    .    2]" 1 
        389 1  26 LYS H    1  26 LYS QB   . .  3.590 2.476 2.465 2.485     .  0 0 "[    .    1    .    2]" 1 
        390 1  26 LYS H    1  26 LYS HD3  . .  4.300 4.017 3.646 4.272     .  0 0 "[    .    1    .    2]" 1 
        391 1  26 LYS H    1  26 LYS HG2  . .  3.800 3.226 3.186 3.390     .  0 0 "[    .    1    .    2]" 1 
        392 1  26 LYS H    1  26 LYS HG3  . .  3.000 1.987 1.974 2.005     .  0 0 "[    .    1    .    2]" 1 
        393 1  26 LYS H    1  28 VAL H    . .  6.500 3.733 3.706 3.762     .  0 0 "[    .    1    .    2]" 1 
        394 1  26 LYS HA   1  26 LYS QB   . .  2.690 2.340 2.334 2.346     .  0 0 "[    .    1    .    2]" 1 
        395 1  26 LYS HA   1  26 LYS HG3  . .  3.100 3.077 2.918 3.109 0.009  7 0 "[    .    1    .    2]" 1 
        396 1  27 SER HA   1  27 SER HB2  . .  2.800 2.510 2.358 2.884 0.084  6 0 "[    .    1    .    2]" 1 
        397 1  27 SER HA   1  27 SER HB3  . .  2.800 2.556 2.377 2.882 0.082 18 0 "[    .    1    .    2]" 1 
        398 1  28 VAL H    1  28 VAL HB   . .  2.600 2.480 2.449 2.515     .  0 0 "[    .    1    .    2]" 1 
        399 1  28 VAL H    1  28 VAL MG2  . .  3.100 2.248 2.058 2.409     .  0 0 "[    .    1    .    2]" 1 
        400 1  28 VAL H    1  29 LYS H    . .  4.700 4.592 4.569 4.602     .  0 0 "[    .    1    .    2]" 1 
        401 1  28 VAL HA   1  28 VAL MG1  . .  3.400 2.349 2.241 2.417     .  0 0 "[    .    1    .    2]" 1 
        402 1  28 VAL HA   1  28 VAL MG2  . .  3.100 2.426 2.353 2.503     .  0 0 "[    .    1    .    2]" 1 
        403 1  28 VAL HA   1  29 LYS H    . .  2.200 2.266 2.252 2.281 0.081  9 0 "[    .    1    .    2]" 1 
        404 1  28 VAL HB   1  29 LYS H    . .  4.100 4.002 3.945 4.057     .  0 0 "[    .    1    .    2]" 1 
        405 1  28 VAL HB   1  30 CYS HA   . .  6.900 5.424 5.329 5.513     .  0 0 "[    .    1    .    2]" 1 
        406 1  28 VAL MG1  1  29 LYS H    . .  3.500 2.292 2.095 2.478     .  0 0 "[    .    1    .    2]" 1 
        407 1  28 VAL MG1  1  33 CYS H    . .  6.400 4.062 3.951 4.163     .  0 0 "[    .    1    .    2]" 1 
        408 1  28 VAL MG1  1  34 HIS H    . .  8.000 5.695 5.609 5.754     .  0 0 "[    .    1    .    2]" 1 
        409 1  28 VAL MG2  1  29 LYS H    . .  4.800 4.095 4.070 4.127     .  0 0 "[    .    1    .    2]" 1 
        410 1  29 LYS H    1  29 LYS HB2  . .  3.000 2.045 2.028 2.056     .  0 0 "[    .    1    .    2]" 1 
        411 1  29 LYS H    1  29 LYS HB3  . .  3.200 3.191 3.122 3.242 0.042  8 0 "[    .    1    .    2]" 1 
        412 1  29 LYS H    1  29 LYS QG   . .  4.400 3.573 3.349 3.857     .  0 0 "[    .    1    .    2]" 1 
        413 1  29 LYS H    1  30 CYS H    . .  5.000 4.621 4.602 4.635     .  0 0 "[    .    1    .    2]" 1 
        414 1  29 LYS H    1  32 ASP H    . .  5.000 4.223 4.170 4.281     .  0 0 "[    .    1    .    2]" 1 
        415 1  29 LYS H    1  32 ASP HB2  . .  4.800 2.755 2.694 2.802     .  0 0 "[    .    1    .    2]" 1 
        416 1  29 LYS HA   1  29 LYS HB2  . .  3.000 2.862 2.826 2.888     .  0 0 "[    .    1    .    2]" 1 
        417 1  29 LYS HA   1  29 LYS HB3  . .  2.900 2.857 2.828 2.891     .  0 0 "[    .    1    .    2]" 1 
        418 1  29 LYS HA   1  30 CYS H    . .  2.500 2.249 2.218 2.291     .  0 0 "[    .    1    .    2]" 1 
        419 1  29 LYS HA   1  30 CYS HA   . .  4.800 4.281 4.272 4.289     .  0 0 "[    .    1    .    2]" 1 
        420 1  29 LYS HB2  1  30 CYS H    . .  4.800 4.431 4.356 4.486     .  0 0 "[    .    1    .    2]" 1 
        421 1  29 LYS HB2  1  32 ASP H    . .  4.600 3.957 3.841 4.066     .  0 0 "[    .    1    .    2]" 1 
        422 1  29 LYS HB3  1  30 CYS H    . .  3.900 3.460 3.309 3.574     .  0 0 "[    .    1    .    2]" 1 
        423 1  29 LYS HB3  1  30 CYS HA   . .  7.000 4.926 4.851 4.990     .  0 0 "[    .    1    .    2]" 1 
        424 1  29 LYS HB3  1  32 ASP H    . .  4.900 2.789 2.781 2.798     .  0 0 "[    .    1    .    2]" 1 
        425 1  29 LYS QD   1  30 CYS H    . .  8.000 4.553 3.759 5.109     .  0 0 "[    .    1    .    2]" 1 
        426 1  29 LYS QG   1  30 CYS H    . .  8.000 3.010 2.792 3.490     .  0 0 "[    .    1    .    2]" 1 
        427 1  30 CYS H    1  31 GLY HA3  . .  5.300 4.861 4.796 4.936     .  0 0 "[    .    1    .    2]" 1 
        428 1  30 CYS H    1  33 CYS H    . .  7.000 5.413 5.347 5.494     .  0 0 "[    .    1    .    2]" 1 
        429 1  30 CYS H    1  34 HIS HD2  . .  7.000 5.610 5.565 5.649     .  0 0 "[    .    1    .    2]" 1 
        430 1  30 CYS HA   1  32 ASP H    . .  6.000 3.535 3.510 3.562     .  0 0 "[    .    1    .    2]" 1 
        431 1  30 CYS HA   1  33 CYS HB2  . .  5.800 3.975 3.895 4.087     .  0 0 "[    .    1    .    2]" 1 
        432 1  30 CYS HA   1  33 CYS HB3  . .  6.000 5.498 5.390 5.610     .  0 0 "[    .    1    .    2]" 1 
        433 1  30 CYS HA   1  34 HIS HD2  . .  3.800 3.043 2.968 3.086     .  0 0 "[    .    1    .    2]" 1 
        434 1  30 CYS QB   1  34 HIS HD2  . .  5.000 2.887 2.841 2.972     .  0 0 "[    .    1    .    2]" 1 
        435 1  31 GLY H    1  31 GLY HA2  . .  2.900 2.874 2.851 2.889     .  0 0 "[    .    1    .    2]" 1 
        436 1  31 GLY H    1  31 GLY HA3  . .  2.700 2.270 2.258 2.281     .  0 0 "[    .    1    .    2]" 1 
        437 1  31 GLY H    1  32 ASP H    . .  3.400 2.571 2.535 2.637     .  0 0 "[    .    1    .    2]" 1 
        438 1  31 GLY H    1  33 CYS H    . .  5.100 4.390 4.292 4.446     .  0 0 "[    .    1    .    2]" 1 
        439 1  31 GLY H    1  34 HIS H    . .  5.000 4.989 4.942 5.023 0.023  2 0 "[    .    1    .    2]" 1 
        440 1  31 GLY HA3  1  34 HIS H    . .  5.600 5.190 5.101 5.251     .  0 0 "[    .    1    .    2]" 1 
        441 1  32 ASP H    1  32 ASP HB2  . .  3.000 2.445 2.377 2.501     .  0 0 "[    .    1    .    2]" 1 
        442 1  32 ASP H    1  32 ASP HB3  . .  2.600 2.541 2.494 2.603 0.003 11 0 "[    .    1    .    2]" 1 
        443 1  32 ASP H    1  33 CYS H    . .  2.600 2.341 2.282 2.383     .  0 0 "[    .    1    .    2]" 1 
        444 1  32 ASP H    1  33 CYS HA   . .  6.200 4.977 4.928 5.010     .  0 0 "[    .    1    .    2]" 1 
        445 1  32 ASP H    1  34 HIS H    . .  3.900 3.926 3.913 3.942 0.042 11 0 "[    .    1    .    2]" 1 
        446 1  32 ASP H    1  34 HIS HD2  . .  7.000 5.374 5.283 5.457     .  0 0 "[    .    1    .    2]" 1 
        447 1  32 ASP HA   1  32 ASP HB2  . .  2.500 2.558 2.533 2.588 0.088 11 0 "[    .    1    .    2]" 1 
        448 1  32 ASP HA   1  34 HIS H    . .  5.400 5.352 5.320 5.376     .  0 0 "[    .    1    .    2]" 1 
        449 1  32 ASP HB2  1  33 CYS H    . .  4.000 3.865 3.797 3.984     .  0 0 "[    .    1    .    2]" 1 
        450 1  32 ASP HB2  1  33 CYS HA   . .  6.400 5.623 5.594 5.673     .  0 0 "[    .    1    .    2]" 1 
        451 1  32 ASP HB3  1  33 CYS H    . .  3.500 2.780 2.702 2.958     .  0 0 "[    .    1    .    2]" 1 
        452 1  33 CYS H    1  33 CYS HB2  . .  3.200 2.331 2.313 2.391     .  0 0 "[    .    1    .    2]" 1 
        453 1  33 CYS H    1  33 CYS HB3  . .  3.500 3.507 3.490 3.523 0.023 14 0 "[    .    1    .    2]" 1 
        454 1  33 CYS H    1  34 HIS HB2  . .  4.800 4.324 4.254 4.349     .  0 0 "[    .    1    .    2]" 1 
        455 1  33 CYS H    1  34 HIS HD2  . .  4.500 4.179 4.126 4.241     .  0 0 "[    .    1    .    2]" 1 
        456 1  33 CYS H    1  35 HIS H    . .  7.000 4.487 4.282 4.949     .  0 0 "[    .    1    .    2]" 1 
        457 1  33 CYS HA   1  34 HIS HD2  . .  7.000 5.873 5.826 5.914     .  0 0 "[    .    1    .    2]" 1 
        458 1  33 CYS HA   1  35 HIS HB3  . .  5.700 4.761 4.715 4.816     .  0 0 "[    .    1    .    2]" 1 
        459 1  33 CYS HB2  1  34 HIS H    . .  3.100 2.654 2.625 2.686     .  0 0 "[    .    1    .    2]" 1 
        460 1  33 CYS HB2  1  34 HIS HD2  . .  5.400 3.505 3.428 3.560     .  0 0 "[    .    1    .    2]" 1 
        461 1  33 CYS HB3  1  34 HIS HD2  . .  4.100 4.120 4.103 4.139 0.039 14 0 "[    .    1    .    2]" 1 
        462 1  34 HIS H    1  34 HIS HB2  . .  3.100 2.426 2.419 2.434     .  0 0 "[    .    1    .    2]" 1 
        463 1  34 HIS H    1  34 HIS HB3  . .  3.800 3.563 3.559 3.569     .  0 0 "[    .    1    .    2]" 1 
        464 1  34 HIS H    1  34 HIS HD1  . .  5.100 4.596 4.575 4.620     .  0 0 "[    .    1    .    2]" 1 
        465 1  34 HIS H    1  34 HIS HD2  . .  3.300 2.759 2.711 2.789     .  0 0 "[    .    1    .    2]" 1 
        466 1  34 HIS H    1  35 HIS H    . .  4.800 3.630 3.540 3.891     .  0 0 "[    .    1    .    2]" 1 
        467 1  34 HIS HA   1  34 HIS HD1  . .  3.400 2.965 2.936 3.002     .  0 0 "[    .    1    .    2]" 1 
        468 1  34 HIS HA   1  34 HIS HE1  . .  6.200 4.976 4.964 4.987     .  0 0 "[    .    1    .    2]" 1 
        469 1  34 HIS HA   1  35 HIS HB3  . .  5.500 4.963 4.848 5.003     .  0 0 "[    .    1    .    2]" 1 
        470 1  34 HIS HA   1  35 HIS HD2  . .  5.100 4.688 4.503 4.840     .  0 0 "[    .    1    .    2]" 1 
        471 1  34 HIS HA   1  44 ARG H    . .  6.300 5.071 4.616 5.286     .  0 0 "[    .    1    .    2]" 1 
        472 1  34 HIS HB2  1  43 TYR HA   . .  4.500 4.268 3.911 4.456     .  0 0 "[    .    1    .    2]" 1 
        473 1  34 HIS HB3  1  43 TYR QE   . .  6.930 4.686 3.995 5.213     .  0 0 "[    .    1    .    2]" 1 
        474 1  34 HIS HD1  1  43 TYR H    . .  7.000 5.447 4.215 5.927     .  0 0 "[    .    1    .    2]" 1 
        475 1  34 HIS HD1  1  43 TYR HA   . .  3.700 2.925 2.549 3.205     .  0 0 "[    .    1    .    2]" 1 
        476 1  34 HIS HD1  1  43 TYR QB   . .  5.800 4.655 4.347 4.839     .  0 0 "[    .    1    .    2]" 1 
        477 1  34 HIS HD1  1  44 ARG H    . .  3.500 2.414 2.018 2.594     .  0 0 "[    .    1    .    2]" 1 
        478 1  34 HIS HD2  1  43 TYR QE   . .  6.530 4.508 3.963 5.167     .  0 0 "[    .    1    .    2]" 1 
        479 1  34 HIS HE1  1  43 TYR HA   . .  4.900 3.652 3.261 3.873     .  0 0 "[    .    1    .    2]" 1 
        480 1  34 HIS HE1  1  44 ARG H    . .  4.800 3.511 2.742 3.711     .  0 0 "[    .    1    .    2]" 1 
        481 1  34 HIS HE1  1  44 ARG HA   . .  6.900 4.771 4.562 4.931     .  0 0 "[    .    1    .    2]" 1 
        482 1  34 HIS HE1  1  45 LYS HA   . .  4.900 4.097 3.946 4.318     .  0 0 "[    .    1    .    2]" 1 
        483 1  34 HIS HE1  1  46 CYS H    . .  6.800 4.930 4.838 5.039     .  0 0 "[    .    1    .    2]" 1 
        484 1  35 HIS H    1  35 HIS HB2  . .  4.000 3.539 3.533 3.547     .  0 0 "[    .    1    .    2]" 1 
        485 1  35 HIS H    1  35 HIS HB3  . .  3.200 2.384 2.363 2.435     .  0 0 "[    .    1    .    2]" 1 
        486 1  35 HIS H    1  35 HIS HD2  . .  3.400 2.964 2.735 3.092     .  0 0 "[    .    1    .    2]" 1 
        487 1  35 HIS HA   1  35 HIS HB2  . .  3.000 2.421 2.397 2.439     .  0 0 "[    .    1    .    2]" 1 
        488 1  35 HIS HA   1  35 HIS HD2  . .  5.300 4.746 4.700 4.775     .  0 0 "[    .    1    .    2]" 1 
        489 1  35 HIS HA   1  36 PRO HD2  . .  2.600 2.646 2.636 2.657 0.057  8 0 "[    .    1    .    2]" 1 
        490 1  35 HIS HA   1  76 PHE HZ   . .  6.900 5.818 5.613 6.045     .  0 0 "[    .    1    .    2]" 1 
        491 1  35 HIS HB2  1  35 HIS HD1  . .  3.600 2.763 2.694 2.814     .  0 0 "[    .    1    .    2]" 1 
        492 1  35 HIS HB2  1  35 HIS HE1  . .  5.100 4.872 4.844 4.894     .  0 0 "[    .    1    .    2]" 1 
        493 1  35 HIS HB2  1  36 PRO HD2  . .  3.100 2.238 2.216 2.262     .  0 0 "[    .    1    .    2]" 1 
        494 1  35 HIS HB2  1  36 PRO HD3  . .  3.200 3.209 3.184 3.243 0.043 11 0 "[    .    1    .    2]" 1 
        495 1  35 HIS HB2  1  36 PRO QG   . .  7.600 4.177 4.160 4.194     .  0 0 "[    .    1    .    2]" 1 
        496 1  35 HIS HB2  1  76 PHE QD   . .  6.440 3.194 2.933 3.414     .  0 0 "[    .    1    .    2]" 1 
        497 1  35 HIS HB2  1  76 PHE QE   . .  6.730 2.767 2.475 3.051     .  0 0 "[    .    1    .    2]" 1 
        498 1  35 HIS HB2  1  76 PHE HZ   . .  5.100 3.594 3.404 3.829     .  0 0 "[    .    1    .    2]" 1 
        499 1  35 HIS HB3  1  35 HIS HD2  . .  3.700 2.746 2.730 2.776     .  0 0 "[    .    1    .    2]" 1 
        500 1  35 HIS HB3  1  36 PRO HD2  . .  3.700 3.680 3.656 3.734 0.034 16 0 "[    .    1    .    2]" 1 
        501 1  35 HIS HB3  1  36 PRO HD3  . .  4.000 4.015 3.994 4.065 0.065 16 0 "[    .    1    .    2]" 1 
        502 1  35 HIS HB3  1  76 PHE HB2  . .  4.600 4.557 4.403 4.646 0.046 16 0 "[    .    1    .    2]" 1 
        503 1  35 HIS HB3  1  76 PHE QD   . .  6.440 3.219 2.959 3.481     .  0 0 "[    .    1    .    2]" 1 
        504 1  35 HIS HB3  1  76 PHE QE   . .  7.030 3.940 3.713 4.186     .  0 0 "[    .    1    .    2]" 1 
        505 1  35 HIS HB3  1  76 PHE HZ   . .  6.600 5.048 4.889 5.250     .  0 0 "[    .    1    .    2]" 1 
        506 1  35 HIS HD1  1  36 PRO HD2  . .  5.400 3.737 3.584 3.888     .  0 0 "[    .    1    .    2]" 1 
        507 1  35 HIS HD1  1  36 PRO HD3  . .  5.800 4.776 4.735 4.832     .  0 0 "[    .    1    .    2]" 1 
        508 1  35 HIS HD1  1  37 VAL HA   . .  4.400 3.405 3.040 3.825     .  0 0 "[    .    1    .    2]" 1 
        509 1  35 HIS HD1  1  37 VAL MG1  . .  5.600 4.483 4.239 4.671     .  0 0 "[    .    1    .    2]" 1 
        510 1  35 HIS HD1  1  37 VAL MG2  . .  3.600 2.084 1.865 2.441     .  0 0 "[    .    1    .    2]" 1 
        511 1  35 HIS HD1  1  76 PHE QD   . .  7.740 4.897 4.663 5.071     .  0 0 "[    .    1    .    2]" 1 
        512 1  35 HIS HD1  1  76 PHE QE   . .  6.330 3.903 3.617 4.142     .  0 0 "[    .    1    .    2]" 1 
        513 1  35 HIS HD1  1  76 PHE HZ   . .  4.800 3.824 3.389 4.148     .  0 0 "[    .    1    .    2]" 1 
        514 1  35 HIS HD2  1  37 VAL MG2  . .  6.800 4.820 4.427 5.198     .  0 0 "[    .    1    .    2]" 1 
        515 1  35 HIS HD2  1  68 VAL MG1  . .  8.000 4.954 4.824 5.102     .  0 0 "[    .    1    .    2]" 1 
        516 1  35 HIS HD2  1  68 VAL MG2  . .  8.000 5.890 5.784 6.061     .  0 0 "[    .    1    .    2]" 1 
        517 1  35 HIS HD2  1  76 PHE HB2  . .  5.900 4.120 3.940 4.350     .  0 0 "[    .    1    .    2]" 1 
        518 1  35 HIS HD2  1  76 PHE HB3  . .  5.400 3.755 3.564 4.026     .  0 0 "[    .    1    .    2]" 1 
        519 1  35 HIS HD2  1  76 PHE QD   . .  6.540 4.078 3.867 4.287     .  0 0 "[    .    1    .    2]" 1 
        520 1  35 HIS HD2  1  76 PHE QE   . .  8.630 5.004 4.840 5.191     .  0 0 "[    .    1    .    2]" 1 
        521 1  35 HIS HD2  1  76 PHE HZ   . .  7.000 6.142 5.997 6.364     .  0 0 "[    .    1    .    2]" 1 
        522 1  35 HIS HE1  1  37 VAL H    . .  6.500 5.306 4.822 5.702     .  0 0 "[    .    1    .    2]" 1 
        523 1  35 HIS HE1  1  37 VAL HA   . .  4.800 4.128 3.476 4.714     .  0 0 "[    .    1    .    2]" 1 
        524 1  35 HIS HE1  1  37 VAL MG2  . .  3.000 1.885 1.782 2.178     .  0 0 "[    .    1    .    2]" 1 
        525 1  35 HIS HE1  1  76 PHE HZ   . .  6.200 5.279 4.834 5.537     .  0 0 "[    .    1    .    2]" 1 
        526 1  36 PRO HA   1  37 VAL H    . .  2.700 2.161 2.149 2.187     .  0 0 "[    .    1    .    2]" 1 
        527 1  36 PRO HA   1  42 ASP H    . .  6.100 4.728 3.714 6.158 0.058  7 0 "[    .    1    .    2]" 1 
        528 1  36 PRO QB   1  40 LYS HA   . .  7.380 4.565 3.737 6.031     .  0 0 "[    .    1    .    2]" 1 
        529 1  36 PRO QB   1  41 GLU HA   . .  5.580 3.836 3.146 4.903     .  0 0 "[    .    1    .    2]" 1 
        530 1  36 PRO QB   1  76 PHE HZ   . .  7.880 5.726 5.522 5.994     .  0 0 "[    .    1    .    2]" 1 
        531 1  36 PRO HD2  1  76 PHE HZ   . .  5.400 3.932 3.712 4.172     .  0 0 "[    .    1    .    2]" 1 
        532 1  36 PRO HD3  1  37 VAL MG2  . .  8.000 5.653 5.292 5.987     .  0 0 "[    .    1    .    2]" 1 
        533 1  36 PRO HD3  1  41 GLU QG   . .  4.300 3.699 3.240 3.918     .  0 0 "[    .    1    .    2]" 1 
        534 1  36 PRO HD3  1  76 PHE HZ   . .  6.200 5.668 5.452 5.908     .  0 0 "[    .    1    .    2]" 1 
        535 1  36 PRO QG   1  76 PHE HZ   . .  6.900 4.690 4.480 4.905     .  0 0 "[    .    1    .    2]" 1 
        536 1  37 VAL H    1  37 VAL MG2  . .  4.400 2.731 2.400 2.970     .  0 0 "[    .    1    .    2]" 1 
        537 1  37 VAL H    1  40 LYS QB   . .  8.000 4.811 3.050 5.538     .  0 0 "[    .    1    .    2]" 1 
        538 1  37 VAL H    1  41 GLU HA   . .  6.800 3.880 3.741 4.095     .  0 0 "[    .    1    .    2]" 1 
        539 1  37 VAL HA   1  37 VAL MG1  . .  3.200 2.474 2.350 2.555     .  0 0 "[    .    1    .    2]" 1 
        540 1  37 VAL HA   1  37 VAL MG2  . .  3.200 2.292 2.155 2.419     .  0 0 "[    .    1    .    2]" 1 
        541 1  37 VAL HA   1  76 PHE HZ   . .  7.000 5.036 4.726 5.476     .  0 0 "[    .    1    .    2]" 1 
        542 1  37 VAL MG1  1  38 ASN HA   . .  7.100 3.832 3.184 4.538     .  0 0 "[    .    1    .    2]" 1 
        543 1  37 VAL MG1  1  38 ASN HB2  . .  4.000 2.771 2.464 3.091     .  0 0 "[    .    1    .    2]" 1 
        544 1  37 VAL MG2  1  38 ASN HA   . .  8.000 5.692 5.406 5.975     .  0 0 "[    .    1    .    2]" 1 
        545 1  37 VAL MG2  1  38 ASN HB2  . .  7.500 5.090 4.995 5.151     .  0 0 "[    .    1    .    2]" 1 
        546 1  37 VAL MG2  1  40 LYS QB   . .  9.000 6.047 3.269 6.692     .  0 0 "[    .    1    .    2]" 1 
        547 1  37 VAL MG2  1  51 CYS HA   . .  7.500 5.483 5.099 5.809     .  0 0 "[    .    1    .    2]" 1 
        548 1  37 VAL MG2  1  51 CYS HB3  . .  8.000 4.897 4.383 5.197     .  0 0 "[    .    1    .    2]" 1 
        549 1  37 VAL MG2  1  76 PHE HZ   . .  8.000 4.872 4.370 5.322     .  0 0 "[    .    1    .    2]" 1 
        550 1  38 ASN HA   1  38 ASN HB3  . .  2.900 2.955 2.709 3.035 0.135  8 0 "[    .    1    .    2]" 1 
        551 1  41 GLU HA   1  42 ASP H    . .  2.600 2.306 2.203 2.567     .  0 0 "[    .    1    .    2]" 1 
        552 1  41 GLU QB   1  43 TYR QE   . .  7.730 4.272 2.469 5.481     .  0 0 "[    .    1    .    2]" 1 
        553 1  41 GLU QG   1  42 ASP H    . .  7.700 3.672 2.914 4.399     .  0 0 "[    .    1    .    2]" 1 
        554 1  41 GLU QG   1  43 TYR H    . .  8.000 6.393 3.876 7.140     .  0 0 "[    .    1    .    2]" 1 
        555 1  42 ASP HA   1  43 TYR H    . .  3.100 2.529 2.268 2.788     .  0 0 "[    .    1    .    2]" 1 
        556 1  42 ASP HA   1  43 TYR QD   . .  7.040 3.968 3.666 4.352     .  0 0 "[    .    1    .    2]" 1 
        557 1  42 ASP HA   1  43 TYR QE   . .  9.130 4.698 4.340 5.197     .  0 0 "[    .    1    .    2]" 1 
        558 1  42 ASP HB2  1  43 TYR H    . .  5.000 3.731 2.686 4.543     .  0 0 "[    .    1    .    2]" 1 
        559 1  42 ASP HB3  1  43 TYR H    . .  5.000 3.628 2.740 4.724     .  0 0 "[    .    1    .    2]" 1 
        560 1  43 TYR HA   1  44 ARG H    . .  2.800 2.299 2.195 2.432     .  0 0 "[    .    1    .    2]" 1 
        561 1  44 ARG H    1  44 ARG HG2  . .  4.700 4.612 2.575 4.810 0.110 14 0 "[    .    1    .    2]" 1 
        562 1  44 ARG H    1  45 LYS H    . .  6.000 4.445 4.373 4.472     .  0 0 "[    .    1    .    2]" 1 
        563 1  44 ARG HA   1  44 ARG HG2  . .  3.800 2.764 2.502 3.562     .  0 0 "[    .    1    .    2]" 1 
        564 1  44 ARG HA   1  45 LYS H    . .  2.800 2.616 2.345 2.713     .  0 0 "[    .    1    .    2]" 1 
        565 1  44 ARG HA   1  45 LYS HG2  . .  6.000 5.731 5.588 5.895     .  0 0 "[    .    1    .    2]" 1 
        566 1  44 ARG QB   1  45 LYS HA   . .  6.510 4.328 4.205 4.911     .  0 0 "[    .    1    .    2]" 1 
        567 1  44 ARG HB2  1  45 LYS H    . .  4.100 3.822 2.186 4.141 0.041 13 0 "[    .    1    .    2]" 1 
        568 1  44 ARG HB2  1  45 LYS HA   . .  7.000 5.630 4.708 6.038     .  0 0 "[    .    1    .    2]" 1 
        569 1  44 ARG HB3  1  45 LYS H    . .  4.100 2.707 2.392 3.962     .  0 0 "[    .    1    .    2]" 1 
        570 1  44 ARG HB3  1  45 LYS HA   . .  7.000 4.546 4.350 5.848     .  0 0 "[    .    1    .    2]" 1 
        571 1  44 ARG QD   1  45 LYS H    . .  7.400 4.167 3.944 4.874     .  0 0 "[    .    1    .    2]" 1 
        572 1  44 ARG HG2  1  45 LYS H    . .  4.400 2.534 2.436 3.558     .  0 0 "[    .    1    .    2]" 1 
        573 1  44 ARG HG2  1  45 LYS HA   . .  5.700 5.178 4.279 5.328     .  0 0 "[    .    1    .    2]" 1 
        574 1  44 ARG HG2  1  45 LYS HG3  . .  6.200 5.491 5.207 5.901     .  0 0 "[    .    1    .    2]" 1 
        575 1  44 ARG HG2  1  46 CYS HA   . .  7.000 6.705 4.243 7.063 0.063 14 0 "[    .    1    .    2]" 1 
        576 1  45 LYS H    1  45 LYS HB2  . .  3.600 2.367 2.279 2.450     .  0 0 "[    .    1    .    2]" 1 
        577 1  45 LYS HA   1  45 LYS HG2  . .  3.800 3.435 3.306 3.529     .  0 0 "[    .    1    .    2]" 1 
        578 1  45 LYS HA   1  47 GLY H    . .  5.000 4.164 4.021 4.383     .  0 0 "[    .    1    .    2]" 1 
        579 1  45 LYS HB3  1  47 GLY H    . .  3.800 3.152 3.029 3.278     .  0 0 "[    .    1    .    2]" 1 
        580 1  45 LYS HB3  1  48 THR H    . .  5.100 4.728 4.550 4.896     .  0 0 "[    .    1    .    2]" 1 
        581 1  45 LYS QD   1  48 THR HA   . .  6.600 5.147 4.621 5.589     .  0 0 "[    .    1    .    2]" 1 
        582 1  45 LYS HG3  1  47 GLY H    . .  5.500 5.485 5.401 5.534 0.034 16 0 "[    .    1    .    2]" 1 
        583 1  46 CYS H    1  47 GLY H    . .  5.000 2.738 2.703 2.779     .  0 0 "[    .    1    .    2]" 1 
        584 1  46 CYS H    1  48 THR H    . .  6.000 4.843 4.778 4.904     .  0 0 "[    .    1    .    2]" 1 
        585 1  46 CYS H    1  52 HIS HD2  . .  5.700 5.521 5.466 5.572     .  0 0 "[    .    1    .    2]" 1 
        586 1  46 CYS HA   1  47 GLY HA2  . .  5.400 4.761 4.746 4.780     .  0 0 "[    .    1    .    2]" 1 
        587 1  46 CYS HA   1  48 THR H    . .  4.700 3.747 3.708 3.783     .  0 0 "[    .    1    .    2]" 1 
        588 1  46 CYS HA   1  48 THR HB   . .  5.500 4.229 4.117 4.331     .  0 0 "[    .    1    .    2]" 1 
        589 1  46 CYS HA   1  51 CYS HB2  . .  4.400 4.456 4.428 4.488 0.088 10 0 "[    .    1    .    2]" 1 
        590 1  46 CYS HA   1  51 CYS HB3  . .  7.000 4.310 4.246 4.347     .  0 0 "[    .    1    .    2]" 1 
        591 1  46 CYS HA   1  52 HIS H    . .  6.900 4.634 4.404 4.736     .  0 0 "[    .    1    .    2]" 1 
        592 1  46 CYS HA   1  52 HIS HB2  . .  5.800 4.224 4.121 4.294     .  0 0 "[    .    1    .    2]" 1 
        593 1  46 CYS HA   1  52 HIS HD2  . .  3.700 3.010 2.906 3.122     .  0 0 "[    .    1    .    2]" 1 
        594 1  46 CYS HA   1  68 VAL MG2  . .  7.500 5.509 5.339 5.677     .  0 0 "[    .    1    .    2]" 1 
        595 1  46 CYS HA   1  69 MET ME   . .  6.300 4.710 4.538 4.871     .  0 0 "[    .    1    .    2]" 1 
        596 1  46 CYS QB   1  52 HIS HD2  . .  4.700 2.732 2.613 2.810     .  0 0 "[    .    1    .    2]" 1 
        597 1  46 CYS QB   1  68 VAL MG2  . .  7.700 3.619 3.494 3.738     .  0 0 "[    .    1    .    2]" 1 
        598 1  46 CYS QB   1  69 MET ME   . .  5.300 2.412 2.266 2.573     .  0 0 "[    .    1    .    2]" 1 
        599 1  47 GLY H    1  47 GLY HA3  . .  2.800 2.269 2.257 2.280     .  0 0 "[    .    1    .    2]" 1 
        600 1  47 GLY H    1  48 THR H    . .  3.500 3.509 3.417 3.594 0.094 14 0 "[    .    1    .    2]" 1 
        601 1  47 GLY H    1  48 THR HA   . .  6.700 5.055 4.963 5.165     .  0 0 "[    .    1    .    2]" 1 
        602 1  47 GLY H    1  52 HIS H    . .  7.000 5.428 5.344 5.482     .  0 0 "[    .    1    .    2]" 1 
        603 1  47 GLY H    1  52 HIS HD2  . .  5.600 5.410 5.347 5.447     .  0 0 "[    .    1    .    2]" 1 
        604 1  47 GLY H    1  69 MET ME   . .  8.000 4.501 4.160 4.735     .  0 0 "[    .    1    .    2]" 1 
        605 1  47 GLY HA2  1  52 HIS H    . .  3.800 3.578 3.496 3.757     .  0 0 "[    .    1    .    2]" 1 
        606 1  47 GLY HA2  1  52 HIS HD2  . .  5.000 5.028 5.010 5.043 0.043 14 0 "[    .    1    .    2]" 1 
        607 1  47 GLY HA3  1  52 HIS H    . .  5.800 5.240 5.156 5.418     .  0 0 "[    .    1    .    2]" 1 
        608 1  48 THR H    1  48 THR MG   . .  4.300 3.582 3.527 3.621     .  0 0 "[    .    1    .    2]" 1 
        609 1  48 THR H    1  49 ALA H    . .  6.100 4.539 4.524 4.567     .  0 0 "[    .    1    .    2]" 1 
        610 1  48 THR H    1  51 CYS HB2  . .  4.200 2.568 2.437 2.643     .  0 0 "[    .    1    .    2]" 1 
        611 1  48 THR H    1  52 HIS H    . .  5.300 2.882 2.838 2.976     .  0 0 "[    .    1    .    2]" 1 
        612 1  48 THR HA   1  48 THR MG   . .  3.200 2.628 2.554 2.710     .  0 0 "[    .    1    .    2]" 1 
        613 1  48 THR HA   1  49 ALA H    . .  2.800 2.186 2.176 2.224     .  0 0 "[    .    1    .    2]" 1 
        614 1  48 THR HB   1  51 CYS HB2  . .  3.400 2.577 2.385 2.862     .  0 0 "[    .    1    .    2]" 1 
        615 1  48 THR MG   1  49 ALA H    . .  3.800 2.634 2.364 2.814     .  0 0 "[    .    1    .    2]" 1 
        616 1  48 THR MG   1  50 GLY H    . .  8.000 4.353 4.212 4.612     .  0 0 "[    .    1    .    2]" 1 
        617 1  48 THR MG   1  51 CYS H    . .  5.300 3.269 3.027 3.492     .  0 0 "[    .    1    .    2]" 1 
        618 1  49 ALA H    1  49 ALA MB   . .  3.200 2.016 1.932 2.160     .  0 0 "[    .    1    .    2]" 1 
        619 1  49 ALA H    1  50 GLY H    . .  5.700 4.420 4.353 4.557     .  0 0 "[    .    1    .    2]" 1 
        620 1  49 ALA HA   1  50 GLY H    . .  2.400 2.202 2.190 2.221     .  0 0 "[    .    1    .    2]" 1 
        621 1  49 ALA HA   1  50 GLY QA   . .  5.680 3.906 3.900 3.929     .  0 0 "[    .    1    .    2]" 1 
        622 1  49 ALA HA   1  51 CYS H    . .  3.500 3.530 3.514 3.548 0.048  1 0 "[    .    1    .    2]" 1 
        623 1  49 ALA HA   1  53 ASP HB2  . .  3.100 2.715 2.407 3.142 0.042 15 0 "[    .    1    .    2]" 1 
        624 1  49 ALA HA   1  53 ASP HB3  . .  3.200 3.087 2.217 3.241 0.041  7 0 "[    .    1    .    2]" 1 
        625 1  49 ALA MB   1  51 CYS H    . .  6.200 4.570 4.426 4.624     .  0 0 "[    .    1    .    2]" 1 
        626 1  50 GLY H    1  51 CYS H    . .  3.100 2.271 2.097 2.707     .  0 0 "[    .    1    .    2]" 1 
        627 1  50 GLY H    1  51 CYS HB2  . .  6.100 4.654 4.494 5.026     .  0 0 "[    .    1    .    2]" 1 
        628 1  50 GLY H    1  53 ASP HA   . .  5.500 5.166 4.938 5.402     .  0 0 "[    .    1    .    2]" 1 
        629 1  50 GLY H    1  53 ASP HB2  . .  4.300 3.026 2.526 3.821     .  0 0 "[    .    1    .    2]" 1 
        630 1  50 GLY H    1  53 ASP HB3  . .  4.300 2.724 2.390 2.942     .  0 0 "[    .    1    .    2]" 1 
        631 1  51 CYS H    1  51 CYS HB2  . .  3.200 2.466 2.450 2.484     .  0 0 "[    .    1    .    2]" 1 
        632 1  51 CYS H    1  51 CYS HB3  . .  3.600 3.652 3.629 3.665 0.065 10 0 "[    .    1    .    2]" 1 
        633 1  51 CYS H    1  52 HIS H    . .  3.900 3.069 2.942 3.421     .  0 0 "[    .    1    .    2]" 1 
        634 1  51 CYS H    1  52 HIS HA   . .  7.000 4.848 4.773 5.084     .  0 0 "[    .    1    .    2]" 1 
        635 1  51 CYS H    1  53 ASP HB3  . .  5.200 4.103 3.548 4.579     .  0 0 "[    .    1    .    2]" 1 
        636 1  51 CYS HA   1  51 CYS HB3  . .  2.700 2.530 2.495 2.541     .  0 0 "[    .    1    .    2]" 1 
        637 1  51 CYS HA   1  52 HIS HD2  . .  7.000 5.416 5.344 5.443     .  0 0 "[    .    1    .    2]" 1 
        638 1  51 CYS HB2  1  52 HIS H    . .  2.700 1.924 1.886 1.950     .  0 0 "[    .    1    .    2]" 1 
        639 1  51 CYS HB2  1  52 HIS HD2  . .  4.200 4.192 4.112 4.228 0.028 14 0 "[    .    1    .    2]" 1 
        640 1  52 HIS H    1  52 HIS HB3  . .  4.100 3.628 3.600 3.651     .  0 0 "[    .    1    .    2]" 1 
        641 1  52 HIS H    1  52 HIS HD1  . .  5.500 4.797 4.660 4.860     .  0 0 "[    .    1    .    2]" 1 
        642 1  52 HIS H    1  52 HIS HD2  . .  4.100 3.511 3.262 3.625     .  0 0 "[    .    1    .    2]" 1 
        643 1  52 HIS H    1  53 ASP H    . .  4.700 3.652 3.450 3.877     .  0 0 "[    .    1    .    2]" 1 
        644 1  52 HIS H    1  53 ASP HA   . .  7.000 4.905 4.757 5.072     .  0 0 "[    .    1    .    2]" 1 
        645 1  52 HIS H    1  68 VAL MG2  . .  8.000 5.512 5.416 5.575     .  0 0 "[    .    1    .    2]" 1 
        646 1  52 HIS HA   1  52 HIS HD1  . .  3.200 2.677 2.648 2.722     .  0 0 "[    .    1    .    2]" 1 
        647 1  52 HIS HA   1  53 ASP H    . .  2.700 2.458 2.357 2.545     .  0 0 "[    .    1    .    2]" 1 
        648 1  52 HIS HA   1  63 LYS HA   . .  3.200 2.843 2.591 3.108     .  0 0 "[    .    1    .    2]" 1 
        649 1  52 HIS HA   1  68 VAL MG1  . .  7.000 5.431 5.362 5.509     .  0 0 "[    .    1    .    2]" 1 
        650 1  52 HIS HA   1  68 VAL MG2  . .  7.000 4.605 4.568 4.650     .  0 0 "[    .    1    .    2]" 1 
        651 1  52 HIS HB2  1  52 HIS HD2  . .  3.500 2.735 2.731 2.741     .  0 0 "[    .    1    .    2]" 1 
        652 1  52 HIS HB2  1  68 VAL MG2  . .  4.600 3.705 3.647 3.741     .  0 0 "[    .    1    .    2]" 1 
        653 1  52 HIS HB3  1  65 TYR HA   . .  3.500 2.117 2.036 2.362     .  0 0 "[    .    1    .    2]" 1 
        654 1  52 HIS HB3  1  68 VAL MG1  . .  7.200 4.628 4.542 4.690     .  0 0 "[    .    1    .    2]" 1 
        655 1  52 HIS HB3  1  68 VAL MG2  . .  4.300 3.026 2.974 3.061     .  0 0 "[    .    1    .    2]" 1 
        656 1  52 HIS HD1  1  53 ASP H    . .  5.100 5.029 4.860 5.129 0.029 13 0 "[    .    1    .    2]" 1 
        657 1  52 HIS HD1  1  62 ALA HA   . .  7.000 4.422 4.300 4.608     .  0 0 "[    .    1    .    2]" 1 
        658 1  52 HIS HD1  1  62 ALA MB   . .  8.000 4.384 4.198 4.626     .  0 0 "[    .    1    .    2]" 1 
        659 1  52 HIS HD1  1  63 LYS H    . .  5.000 4.566 4.278 4.809     .  0 0 "[    .    1    .    2]" 1 
        660 1  52 HIS HD1  1  63 LYS HA   . .  3.100 2.625 2.250 2.983     .  0 0 "[    .    1    .    2]" 1 
        661 1  52 HIS HD1  1  63 LYS QB   . .  7.200 4.505 4.136 4.838     .  0 0 "[    .    1    .    2]" 1 
        662 1  52 HIS HD1  1  64 GLY H    . .  5.000 4.063 3.892 4.220     .  0 0 "[    .    1    .    2]" 1 
        663 1  52 HIS HD1  1  67 HIS HD2  . .  7.000 4.767 4.571 4.948     .  0 0 "[    .    1    .    2]" 1 
        664 1  52 HIS HD1  1  68 VAL HB   . .  7.000 5.198 5.123 5.253     .  0 0 "[    .    1    .    2]" 1 
        665 1  52 HIS HD1  1  68 VAL MG1  . .  4.200 3.214 3.123 3.304     .  0 0 "[    .    1    .    2]" 1 
        666 1  52 HIS HD1  1  68 VAL MG2  . .  4.400 2.992 2.935 3.049     .  0 0 "[    .    1    .    2]" 1 
        667 1  52 HIS HD2  1  68 VAL HB   . .  5.300 5.321 5.305 5.345 0.045  9 0 "[    .    1    .    2]" 1 
        668 1  52 HIS HD2  1  68 VAL MG1  . .  7.400 4.658 4.574 4.733     .  0 0 "[    .    1    .    2]" 1 
        669 1  52 HIS HD2  1  68 VAL MG2  . .  5.100 3.651 3.586 3.776     .  0 0 "[    .    1    .    2]" 1 
        670 1  52 HIS HD2  1  69 MET ME   . .  6.800 4.563 4.269 4.684     .  0 0 "[    .    1    .    2]" 1 
        671 1  52 HIS HE1  1  67 HIS HD2  . .  5.600 4.660 4.451 4.803     .  0 0 "[    .    1    .    2]" 1 
        672 1  52 HIS HE1  1  68 VAL H    . .  7.000 5.924 5.723 6.182     .  0 0 "[    .    1    .    2]" 1 
        673 1  52 HIS HE1  1  68 VAL HB   . .  5.500 4.497 4.444 4.577     .  0 0 "[    .    1    .    2]" 1 
        674 1  52 HIS HE1  1  68 VAL MG1  . .  3.600 2.312 2.206 2.415     .  0 0 "[    .    1    .    2]" 1 
        675 1  52 HIS HE1  1  68 VAL MG2  . .  4.400 3.497 3.455 3.542     .  0 0 "[    .    1    .    2]" 1 
        676 1  53 ASP H    1  54 SER H    . .  3.600 3.358 2.429 3.540     .  0 0 "[    .    1    .    2]" 1 
        677 1  53 ASP H    1  63 LYS HA   . .  4.200 4.205 4.151 4.247 0.047 15 0 "[    .    1    .    2]" 1 
        678 1  53 ASP H    1  63 LYS QG   . .  7.080 5.038 4.377 5.944     .  0 0 "[    .    1    .    2]" 1 
        679 1  53 ASP H    1  65 TYR H    . .  5.600 5.147 4.752 5.526     .  0 0 "[    .    1    .    2]" 1 
        680 1  53 ASP HA   1  53 ASP HB2  . .  2.700 2.533 2.341 2.682     .  0 0 "[    .    1    .    2]" 1 
        681 1  53 ASP HA   1  53 ASP HB3  . .  2.900 2.958 2.509 3.029 0.129  7 0 "[    .    1    .    2]" 1 
        682 1  53 ASP HA   1  54 SER QB   . .  6.980 4.579 4.393 4.909     .  0 0 "[    .    1    .    2]" 1 
        683 1  53 ASP HA   1  55 MET ME   . .  3.800 2.441 2.177 2.933     .  0 0 "[    .    1    .    2]" 1 
        684 1  53 ASP HA   1  65 TYR QD   . .  6.440 4.991 4.692 5.237     .  0 0 "[    .    1    .    2]" 1 
        685 1  54 SER H    1  65 TYR HB2  . .  6.200 3.485 3.466 3.516     .  0 0 "[    .    1    .    2]" 1 
        686 1  54 SER H    1  65 TYR HB3  . .  6.100 3.852 3.538 4.575     .  0 0 "[    .    1    .    2]" 1 
        687 1  55 MET HA   1  55 MET HB3  . .  2.900 2.840 2.791 2.914 0.014 14 0 "[    .    1    .    2]" 1 
        688 1  55 MET HA   1  55 MET ME   . .  4.600 2.160 1.956 2.483     .  0 0 "[    .    1    .    2]" 1 
        689 1  55 MET HA   1  55 MET HG2  . .  4.000 3.480 3.426 3.540     .  0 0 "[    .    1    .    2]" 1 
        690 1  55 MET HA   1  55 MET HG3  . .  3.000 2.137 2.072 2.225     .  0 0 "[    .    1    .    2]" 1 
        691 1  55 MET HA   1  65 TYR HB3  . .  5.000 4.575 4.226 4.813     .  0 0 "[    .    1    .    2]" 1 
        692 1  55 MET HA   1  65 TYR QD   . .  7.240 5.164 4.937 5.364     .  0 0 "[    .    1    .    2]" 1 
        693 1  55 MET HB3  1  55 MET HG2  . .  2.300 2.325 2.296 2.370 0.070  7 0 "[    .    1    .    2]" 1 
        694 1  55 MET HB3  1  55 MET HG3  . .  3.000 2.689 2.614 2.746     .  0 0 "[    .    1    .    2]" 1 
        695 1  55 MET ME   1  55 MET HG2  . .  4.000 3.277 3.227 3.323     .  0 0 "[    .    1    .    2]" 1 
        696 1  55 MET ME   1  65 TYR HB2  . .  4.300 3.519 3.297 3.634     .  0 0 "[    .    1    .    2]" 1 
        697 1  55 MET ME   1  65 TYR HB3  . .  5.000 3.273 3.085 3.513     .  0 0 "[    .    1    .    2]" 1 
        698 1  55 MET ME   1  65 TYR QD   . .  6.340 3.543 3.215 3.820     .  0 0 "[    .    1    .    2]" 1 
        699 1  55 MET ME   1  65 TYR QE   . .  7.730 4.643 4.335 4.955     .  0 0 "[    .    1    .    2]" 1 
        700 1  56 ASP HB2  1  59 ASP H    . .  7.000 5.308 4.295 6.232     .  0 0 "[    .    1    .    2]" 1 
        701 1  56 ASP HB3  1  59 ASP H    . .  6.900 4.255 3.799 4.802     .  0 0 "[    .    1    .    2]" 1 
        702 1  56 ASP HB3  1  59 ASP HA   . .  5.600 4.473 3.646 5.043     .  0 0 "[    .    1    .    2]" 1 
        703 1  57 LYS HA   1  57 LYS HG2  . .  3.000 2.483 2.301 2.685     .  0 0 "[    .    1    .    2]" 1 
        704 1  57 LYS HA   1  66 TYR H    . .  4.800 3.881 3.676 4.075     .  0 0 "[    .    1    .    2]" 1 
        705 1  57 LYS HA   1  66 TYR HB2  . .  3.800 3.777 3.686 3.820 0.020  5 0 "[    .    1    .    2]" 1 
        706 1  57 LYS HA   1  66 TYR HB3  . .  3.000 2.402 2.240 2.503     .  0 0 "[    .    1    .    2]" 1 
        707 1  57 LYS HA   1  66 TYR QD   . .  6.240 2.937 2.639 3.248     .  0 0 "[    .    1    .    2]" 1 
        708 1  57 LYS HA   1  67 HIS H    . .  5.200 5.108 4.803 5.217 0.017  6 0 "[    .    1    .    2]" 1 
        709 1  57 LYS QB   1  66 TYR HB3  . .  7.880 3.498 3.114 3.902     .  0 0 "[    .    1    .    2]" 1 
        710 1  57 LYS QB   1  66 TYR QD   . .  7.120 3.911 3.384 4.343     .  0 0 "[    .    1    .    2]" 1 
        711 1  57 LYS HG2  1  66 TYR QD   . .  7.440 2.814 2.492 3.516     .  0 0 "[    .    1    .    2]" 1 
        712 1  57 LYS HG3  1  66 TYR QD   . .  7.340 3.452 2.850 3.931     .  0 0 "[    .    1    .    2]" 1 
        713 1  58 LYS QB   1  59 ASP H    . .  6.600 4.068 4.008 4.117     .  0 0 "[    .    1    .    2]" 1 
        714 1  60 LYS HA   1  60 LYS QD   . .  4.600 3.796 2.907 4.271     .  0 0 "[    .    1    .    2]" 1 
        715 1  60 LYS HA   1  61 SER HA   . .  5.100 4.601 4.273 5.136 0.036 12 0 "[    .    1    .    2]" 1 
        716 1  60 LYS HA   1  64 GLY HA3  . .  3.700 3.422 2.742 3.722 0.022 20 0 "[    .    1    .    2]" 1 
        717 1  60 LYS HA   1  67 HIS HE1  . .  5.100 4.510 3.929 5.133 0.033 19 0 "[    .    1    .    2]" 1 
        718 1  60 LYS QB   1  67 HIS HE1  . .  5.750 3.264 2.953 5.013     .  0 0 "[    .    1    .    2]" 1 
        719 1  60 LYS HB2  1  67 HIS HE1  . .  6.200 4.522 3.002 6.154     .  0 0 "[    .    1    .    2]" 1 
        720 1  60 LYS HB3  1  67 HIS HE1  . .  6.200 3.717 2.985 5.367     .  0 0 "[    .    1    .    2]" 1 
        721 1  60 LYS QD   1  67 HIS HE1  . .  7.200 5.388 4.169 6.316     .  0 0 "[    .    1    .    2]" 1 
        722 1  61 SER HA   1  63 LYS H    . .  6.000 5.181 4.298 5.525     .  0 0 "[    .    1    .    2]" 1 
        723 1  61 SER HA   1  67 HIS HD2  . .  6.400 5.576 4.427 6.037     .  0 0 "[    .    1    .    2]" 1 
        724 1  62 ALA HA   1  68 VAL MG1  . .  4.100 3.025 2.906 3.176     .  0 0 "[    .    1    .    2]" 1 
        725 1  62 ALA MB   1  63 LYS H    . .  4.300 2.561 2.368 2.792     .  0 0 "[    .    1    .    2]" 1 
        726 1  62 ALA MB   1  64 GLY H    . .  5.900 4.121 4.050 4.253     .  0 0 "[    .    1    .    2]" 1 
        727 1  62 ALA MB   1  67 HIS HD2  . .  5.300 4.403 4.244 4.476     .  0 0 "[    .    1    .    2]" 1 
        728 1  62 ALA MB   1  68 VAL MG1  . .  5.700 3.884 3.550 3.980     .  0 0 "[    .    1    .    2]" 1 
        729 1  62 ALA MB   1  74 THR HB   . .  7.400 5.675 5.446 5.856     .  0 0 "[    .    1    .    2]" 1 
        730 1  63 LYS H    1  63 LYS HG2  . .  3.500 2.615 1.992 3.460     .  0 0 "[    .    1    .    2]" 1 
        731 1  63 LYS H    1  63 LYS HG3  . .  3.500 2.999 2.168 3.513 0.013  2 0 "[    .    1    .    2]" 1 
        732 1  63 LYS H    1  64 GLY H    . .  3.600 2.581 2.563 2.612     .  0 0 "[    .    1    .    2]" 1 
        733 1  63 LYS H    1  67 HIS HD2  . .  7.000 5.306 5.280 5.450     .  0 0 "[    .    1    .    2]" 1 
        734 1  63 LYS H    1  68 VAL MG1  . .  8.000 5.276 5.066 5.424     .  0 0 "[    .    1    .    2]" 1 
        735 1  63 LYS HA   1  63 LYS QG   . .  3.660 2.549 2.040 3.325     .  0 0 "[    .    1    .    2]" 1 
        736 1  63 LYS QB   1  64 GLY H    . .  5.800 3.362 3.093 3.920     .  0 0 "[    .    1    .    2]" 1 
        737 1  63 LYS QG   1  64 GLY H    . .  4.980 3.948 2.632 4.498     .  0 0 "[    .    1    .    2]" 1 
        738 1  64 GLY H    1  67 HIS H    . .  5.800 4.880 4.730 5.039     .  0 0 "[    .    1    .    2]" 1 
        739 1  64 GLY H    1  67 HIS HD2  . .  5.100 3.820 3.594 3.965     .  0 0 "[    .    1    .    2]" 1 
        740 1  64 GLY H    1  68 VAL MG1  . .  5.900 4.321 4.099 4.531     .  0 0 "[    .    1    .    2]" 1 
        741 1  64 GLY HA2  1  65 TYR H    . .  3.300 2.308 2.259 2.346     .  0 0 "[    .    1    .    2]" 1 
        742 1  64 GLY HA2  1  67 HIS HD2  . .  5.400 5.395 5.270 5.434 0.034 19 0 "[    .    1    .    2]" 1 
        743 1  64 GLY HA3  1  67 HIS H    . .  5.500 3.283 3.178 3.357     .  0 0 "[    .    1    .    2]" 1 
        744 1  65 TYR H    1  65 TYR HB2  . .  3.200 2.404 2.323 2.471     .  0 0 "[    .    1    .    2]" 1 
        745 1  65 TYR H    1  65 TYR HB3  . .  3.600 2.256 2.186 2.336     .  0 0 "[    .    1    .    2]" 1 
        746 1  65 TYR H    1  66 TYR H    . .  4.300 2.826 2.749 2.890     .  0 0 "[    .    1    .    2]" 1 
        747 1  65 TYR H    1  68 VAL MG2  . .  6.600 3.958 3.867 4.070     .  0 0 "[    .    1    .    2]" 1 
        748 1  65 TYR HA   1  65 TYR HB2  . .  2.800 2.482 2.458 2.519     .  0 0 "[    .    1    .    2]" 1 
        749 1  65 TYR HA   1  68 VAL MG1  . .  5.600 3.953 3.796 4.082     .  0 0 "[    .    1    .    2]" 1 
        750 1  65 TYR HA   1  68 VAL MG2  . .  3.500 2.038 1.955 2.176     .  0 0 "[    .    1    .    2]" 1 
        751 1  65 TYR HB2  1  68 VAL MG2  . .  6.500 4.050 3.921 4.211     .  0 0 "[    .    1    .    2]" 1 
        752 1  65 TYR HB3  1  66 TYR H    . .  4.300 2.534 2.419 2.644     .  0 0 "[    .    1    .    2]" 1 
        753 1  65 TYR HB3  1  68 VAL MG2  . .  8.000 4.426 4.301 4.575     .  0 0 "[    .    1    .    2]" 1 
        754 1  65 TYR QE   1  66 TYR QD   . . 11.270 5.721 5.553 5.980     .  0 0 "[    .    1    .    2]" 1 
        755 1  66 TYR H    1  66 TYR HB2  . .  3.400 2.757 2.691 2.852     .  0 0 "[    .    1    .    2]" 1 
        756 1  66 TYR H    1  67 HIS H    . .  3.800 2.593 2.509 2.645     .  0 0 "[    .    1    .    2]" 1 
        757 1  66 TYR H    1  67 HIS QB   . .  8.000 4.036 3.940 4.095     .  0 0 "[    .    1    .    2]" 1 
        758 1  66 TYR H    1  70 HIS HD1  . .  7.000 5.397 5.240 5.516     .  0 0 "[    .    1    .    2]" 1 
        759 1  66 TYR HA   1  69 MET HB2  . .  5.300 2.812 2.735 2.900     .  0 0 "[    .    1    .    2]" 1 
        760 1  66 TYR HA   1  70 HIS HE1  . .  4.300 3.030 2.897 3.152     .  0 0 "[    .    1    .    2]" 1 
        761 1  66 TYR HB2  1  67 HIS H    . .  4.800 4.484 4.461 4.504     .  0 0 "[    .    1    .    2]" 1 
        762 1  66 TYR HB2  1  70 HIS HD1  . .  4.700 4.562 4.480 4.686     .  0 0 "[    .    1    .    2]" 1 
        763 1  66 TYR HB2  1  70 HIS HE1  . .  5.500 3.948 3.798 4.070     .  0 0 "[    .    1    .    2]" 1 
        764 1  66 TYR QD   1  70 HIS HB2  . .  7.040 4.796 4.653 4.940     .  0 0 "[    .    1    .    2]" 1 
        765 1  66 TYR QD   1  70 HIS HB3  . .  7.340 5.974 5.806 6.132     .  0 0 "[    .    1    .    2]" 1 
        766 1  66 TYR QE   1  70 HIS HB3  . .  7.430 5.122 5.009 5.293     .  0 0 "[    .    1    .    2]" 1 
        767 1  66 TYR QE   1  70 HIS HD1  . .  8.730 4.218 4.083 4.367     .  0 0 "[    .    1    .    2]" 1 
        768 1  67 HIS H    1  67 HIS QB   . .  3.500 2.193 2.170 2.256     .  0 0 "[    .    1    .    2]" 1 
        769 1  67 HIS H    1  67 HIS HD2  . .  5.200 4.002 3.832 4.126     .  0 0 "[    .    1    .    2]" 1 
        770 1  67 HIS H    1  68 VAL H    . .  3.800 2.073 2.035 2.099     .  0 0 "[    .    1    .    2]" 1 
        771 1  67 HIS H    1  68 VAL MG1  . .  6.300 4.027 3.905 4.108     .  0 0 "[    .    1    .    2]" 1 
        772 1  67 HIS H    1  68 VAL MG2  . .  5.800 2.962 2.705 3.122     .  0 0 "[    .    1    .    2]" 1 
        773 1  67 HIS H    1  70 HIS H    . .  7.000 4.892 4.720 4.999     .  0 0 "[    .    1    .    2]" 1 
        774 1  67 HIS H    1  70 HIS HD1  . .  6.800 4.577 4.406 4.665     .  0 0 "[    .    1    .    2]" 1 
        775 1  67 HIS HA   1  70 HIS H    . .  4.500 3.447 3.335 3.554     .  0 0 "[    .    1    .    2]" 1 
        776 1  67 HIS HA   1  70 HIS HB2  . .  5.200 3.815 3.634 4.035     .  0 0 "[    .    1    .    2]" 1 
        777 1  67 HIS HA   1  71 ASP QB   . .  5.300 2.420 2.220 2.608     .  0 0 "[    .    1    .    2]" 1 
        778 1  67 HIS HA   1  74 THR MG   . .  6.100 4.872 4.792 5.001     .  0 0 "[    .    1    .    2]" 1 
        779 1  67 HIS QB   1  68 VAL H    . .  5.100 3.332 3.119 3.621     .  0 0 "[    .    1    .    2]" 1 
        780 1  67 HIS QB   1  71 ASP H    . .  6.700 4.403 4.277 4.534     .  0 0 "[    .    1    .    2]" 1 
        781 1  67 HIS HD2  1  68 VAL H    . .  5.500 3.594 3.246 3.885     .  0 0 "[    .    1    .    2]" 1 
        782 1  67 HIS HD2  1  68 VAL HA   . .  5.100 3.633 3.375 3.799     .  0 0 "[    .    1    .    2]" 1 
        783 1  67 HIS HD2  1  68 VAL HB   . .  6.100 4.731 4.552 4.887     .  0 0 "[    .    1    .    2]" 1 
        784 1  67 HIS HD2  1  68 VAL MG1  . .  3.400 1.973 1.920 2.049     .  0 0 "[    .    1    .    2]" 1 
        785 1  67 HIS HD2  1  68 VAL MG2  . .  4.900 3.493 3.362 3.675     .  0 0 "[    .    1    .    2]" 1 
        786 1  67 HIS HD2  1  74 THR HB   . .  6.300 5.149 4.995 5.227     .  0 0 "[    .    1    .    2]" 1 
        787 1  67 HIS HD2  1  74 THR MG   . .  5.500 3.468 3.306 3.600     .  0 0 "[    .    1    .    2]" 1 
        788 1  67 HIS HE1  1  68 VAL HA   . .  7.000 5.917 5.693 6.151     .  0 0 "[    .    1    .    2]" 1 
        789 1  67 HIS HE1  1  68 VAL MG1  . .  8.000 5.082 4.904 5.236     .  0 0 "[    .    1    .    2]" 1 
        790 1  67 HIS HE1  1  71 ASP HA   . .  6.600 5.609 5.292 6.073     .  0 0 "[    .    1    .    2]" 1 
        791 1  67 HIS HE1  1  71 ASP QB   . .  5.500 3.269 3.063 3.671     .  0 0 "[    .    1    .    2]" 1 
        792 1  67 HIS HE1  1  73 ASN HB2  . .  6.900 4.714 4.073 6.033     .  0 0 "[    .    1    .    2]" 1 
        793 1  67 HIS HE1  1  73 ASN QB   . .  6.650 4.161 3.712 4.904     .  0 0 "[    .    1    .    2]" 1 
        794 1  67 HIS HE1  1  73 ASN HB3  . .  6.900 4.885 3.795 5.974     .  0 0 "[    .    1    .    2]" 1 
        795 1  67 HIS HE1  1  74 THR HA   . .  5.900 4.092 3.898 4.340     .  0 0 "[    .    1    .    2]" 1 
        796 1  67 HIS HE1  1  74 THR HB   . .  7.000 4.902 4.670 5.200     .  0 0 "[    .    1    .    2]" 1 
        797 1  67 HIS HE1  1  74 THR MG   . .  4.000 2.483 2.152 2.852     .  0 0 "[    .    1    .    2]" 1 
        798 1  68 VAL H    1  69 MET H    . .  3.100 2.401 2.151 2.567     .  0 0 "[    .    1    .    2]" 1 
        799 1  68 VAL H    1  69 MET QG   . .  6.900 3.312 3.037 4.694     .  0 0 "[    .    1    .    2]" 1 
        800 1  68 VAL H    1  70 HIS H    . .  5.300 3.981 3.730 4.121     .  0 0 "[    .    1    .    2]" 1 
        801 1  68 VAL H    1  71 ASP H    . .  5.900 4.980 4.800 5.044     .  0 0 "[    .    1    .    2]" 1 
        802 1  68 VAL H    1  74 THR MG   . .  8.000 4.982 4.866 5.058     .  0 0 "[    .    1    .    2]" 1 
        803 1  68 VAL HA   1  68 VAL HB   . .  2.800 2.577 2.556 2.597     .  0 0 "[    .    1    .    2]" 1 
        804 1  68 VAL HA   1  68 VAL MG1  . .  3.300 2.128 2.083 2.217     .  0 0 "[    .    1    .    2]" 1 
        805 1  68 VAL HA   1  68 VAL MG2  . .  3.700 3.196 3.187 3.204     .  0 0 "[    .    1    .    2]" 1 
        806 1  68 VAL HA   1  70 HIS H    . .  5.600 3.898 3.835 3.969     .  0 0 "[    .    1    .    2]" 1 
        807 1  68 VAL HA   1  71 ASP H    . .  4.800 4.738 4.647 4.811 0.011  5 0 "[    .    1    .    2]" 1 
        808 1  68 VAL HA   1  74 THR MG   . .  4.800 3.022 2.901 3.140     .  0 0 "[    .    1    .    2]" 1 
        809 1  68 VAL HA   1  78 SER HA   . .  5.700 4.377 4.308 4.473     .  0 0 "[    .    1    .    2]" 1 
        810 1  68 VAL HA   1  78 SER HB2  . .  3.900 3.131 2.922 3.342     .  0 0 "[    .    1    .    2]" 1 
        811 1  68 VAL HB   1  78 SER HA   . .  6.100 4.610 4.529 4.681     .  0 0 "[    .    1    .    2]" 1 
        812 1  68 VAL MG1  1  69 MET H    . .  5.400 4.410 4.395 4.427     .  0 0 "[    .    1    .    2]" 1 
        813 1  68 VAL MG1  1  69 MET ME   . .  6.200 4.244 4.208 4.296     .  0 0 "[    .    1    .    2]" 1 
        814 1  68 VAL MG1  1  74 THR HA   . .  8.000 5.391 5.246 5.466     .  0 0 "[    .    1    .    2]" 1 
        815 1  68 VAL MG1  1  74 THR HB   . .  6.100 3.604 3.552 3.680     .  0 0 "[    .    1    .    2]" 1 
        816 1  68 VAL MG1  1  74 THR MG   . .  6.600 2.930 2.850 3.056     .  0 0 "[    .    1    .    2]" 1 
        817 1  68 VAL MG1  1  78 SER H    . .  8.000 6.477 6.402 6.530     .  0 0 "[    .    1    .    2]" 1 
        818 1  68 VAL MG1  1  78 SER HA   . .  7.300 5.002 4.882 5.087     .  0 0 "[    .    1    .    2]" 1 
        819 1  68 VAL MG1  1  78 SER HB3  . .  8.000 4.893 4.635 5.503     .  0 0 "[    .    1    .    2]" 1 
        820 1  68 VAL MG2  1  69 MET H    . .  4.100 3.226 3.146 3.265     .  0 0 "[    .    1    .    2]" 1 
        821 1  68 VAL MG2  1  69 MET HA   . .  7.500 4.139 4.076 4.215     .  0 0 "[    .    1    .    2]" 1 
        822 1  68 VAL MG2  1  69 MET HB2  . .  6.800 4.281 3.767 4.387     .  0 0 "[    .    1    .    2]" 1 
        823 1  68 VAL MG2  1  69 MET ME   . .  4.500 2.218 2.017 2.369     .  0 0 "[    .    1    .    2]" 1 
        824 1  68 VAL MG2  1  69 MET QG   . .  6.200 2.321 2.081 3.598     .  0 0 "[    .    1    .    2]" 1 
        825 1  68 VAL MG2  1  70 HIS H    . .  6.000 4.781 4.740 4.810     .  0 0 "[    .    1    .    2]" 1 
        826 1  68 VAL MG2  1  74 THR MG   . .  7.300 4.952 4.923 4.990     .  0 0 "[    .    1    .    2]" 1 
        827 1  68 VAL MG2  1  78 SER HA   . .  7.700 5.671 5.604 5.752     .  0 0 "[    .    1    .    2]" 1 
        828 1  69 MET H    1  69 MET HB2  . .  3.600 2.557 2.368 2.650     .  0 0 "[    .    1    .    2]" 1 
        829 1  69 MET H    1  69 MET ME   . .  6.200 4.158 4.054 4.275     .  0 0 "[    .    1    .    2]" 1 
        830 1  69 MET H    1  69 MET QG   . .  4.500 2.737 2.525 3.704     .  0 0 "[    .    1    .    2]" 1 
        831 1  69 MET H    1  71 ASP H    . .  4.500 3.691 3.611 3.731     .  0 0 "[    .    1    .    2]" 1 
        832 1  69 MET HA   1  70 HIS HD2  . .  7.000 6.511 6.396 6.582     .  0 0 "[    .    1    .    2]" 1 
        833 1  69 MET HA   1  78 SER HA   . .  5.400 4.431 4.270 4.487     .  0 0 "[    .    1    .    2]" 1 
        834 1  69 MET HA   1  78 SER HB2  . .  4.300 3.731 3.521 4.300 0.000 18 0 "[    .    1    .    2]" 1 
        835 1  69 MET HA   1  79 CYS H    . .  3.800 2.645 2.466 2.716     .  0 0 "[    .    1    .    2]" 1 
        836 1  69 MET HA   1  80 VAL MG2  . .  8.000 4.479 4.374 4.553     .  0 0 "[    .    1    .    2]" 1 
        837 1  69 MET HB2  1  70 HIS H    . .  4.100 3.329 3.211 3.557     .  0 0 "[    .    1    .    2]" 1 
        838 1  69 MET HB2  1  70 HIS HD1  . .  3.300 2.407 2.268 2.963     .  0 0 "[    .    1    .    2]" 1 
        839 1  69 MET HB3  1  70 HIS H    . .  5.600 4.214 3.976 4.310     .  0 0 "[    .    1    .    2]" 1 
        840 1  69 MET HB3  1  70 HIS HD1  . .  3.800 3.825 3.645 3.860 0.060 10 0 "[    .    1    .    2]" 1 
        841 1  69 MET HB3  1  79 CYS H    . .  6.000 4.894 4.808 4.975     .  0 0 "[    .    1    .    2]" 1 
        842 1  69 MET HB3  1  79 CYS HB2  . .  6.400 3.593 3.565 3.644     .  0 0 "[    .    1    .    2]" 1 
        843 1  69 MET QG   1  70 HIS HD1  . .  6.400 4.084 3.829 5.052     .  0 0 "[    .    1    .    2]" 1 
        844 1  70 HIS H    1  70 HIS HB2  . .  3.200 2.875 2.828 2.915     .  0 0 "[    .    1    .    2]" 1 
        845 1  70 HIS H    1  70 HIS HB3  . .  3.700 3.864 3.847 3.885 0.185  6 0 "[    .    1    .    2]" 1 
        846 1  70 HIS H    1  70 HIS HD1  . .  3.000 2.709 2.600 2.939     .  0 0 "[    .    1    .    2]" 1 
        847 1  70 HIS H    1  70 HIS HD2  . .  5.700 5.270 5.212 5.332     .  0 0 "[    .    1    .    2]" 1 
        848 1  70 HIS H    1  70 HIS HE1  . .  5.200 4.956 4.837 5.099     .  0 0 "[    .    1    .    2]" 1 
        849 1  70 HIS H    1  71 ASP H    . .  3.000 2.243 2.187 2.265     .  0 0 "[    .    1    .    2]" 1 
        850 1  70 HIS H    1  71 ASP HA   . .  5.800 4.612 4.579 4.633     .  0 0 "[    .    1    .    2]" 1 
        851 1  70 HIS H    1  71 ASP QB   . .  8.000 3.577 3.560 3.601     .  0 0 "[    .    1    .    2]" 1 
        852 1  70 HIS H    1  79 CYS HB3  . .  6.800 6.664 6.528 6.752     .  0 0 "[    .    1    .    2]" 1 
        853 1  70 HIS H    1  80 VAL HB   . .  7.000 4.591 4.490 4.685     .  0 0 "[    .    1    .    2]" 1 
        854 1  70 HIS H    1  80 VAL MG1  . .  8.000 5.693 5.605 5.777     .  0 0 "[    .    1    .    2]" 1 
        855 1  70 HIS H    1  80 VAL MG2  . .  6.800 4.278 4.230 4.337     .  0 0 "[    .    1    .    2]" 1 
        856 1  70 HIS HA   1  70 HIS HB3  . .  2.800 2.380 2.361 2.401     .  0 0 "[    .    1    .    2]" 1 
        857 1  70 HIS HA   1  70 HIS HD2  . .  3.800 3.621 3.443 3.674     .  0 0 "[    .    1    .    2]" 1 
        858 1  70 HIS HA   1  80 VAL HB   . .  2.500 2.038 2.003 2.071     .  0 0 "[    .    1    .    2]" 1 
        859 1  70 HIS HA   1  80 VAL MG1  . .  4.500 3.373 3.291 3.442     .  0 0 "[    .    1    .    2]" 1 
        860 1  70 HIS HA   1  80 VAL MG2  . .  3.100 1.939 1.912 1.964     .  0 0 "[    .    1    .    2]" 1 
        861 1  70 HIS HA   1  81 GLY H    . .  4.400 4.145 3.970 4.236     .  0 0 "[    .    1    .    2]" 1 
        862 1  70 HIS HB2  1  70 HIS HD1  . .  3.200 2.719 2.647 2.738     .  0 0 "[    .    1    .    2]" 1 
        863 1  70 HIS HB2  1  71 ASP H    . .  3.900 2.214 2.192 2.270     .  0 0 "[    .    1    .    2]" 1 
        864 1  70 HIS HB2  1  71 ASP HA   . .  5.700 3.934 3.897 3.975     .  0 0 "[    .    1    .    2]" 1 
        865 1  70 HIS HB2  1  80 VAL HB   . .  4.700 4.763 4.732 4.796 0.096  9 0 "[    .    1    .    2]" 1 
        866 1  70 HIS HB2  1  80 VAL MG2  . .  5.400 4.103 3.980 4.238     .  0 0 "[    .    1    .    2]" 1 
        867 1  70 HIS HB3  1  70 HIS HD1  . .  3.800 3.816 3.784 3.823 0.023 11 0 "[    .    1    .    2]" 1 
        868 1  70 HIS HB3  1  70 HIS HD2  . .  3.300 2.764 2.754 2.807     .  0 0 "[    .    1    .    2]" 1 
        869 1  70 HIS HB3  1  71 ASP H    . .  4.400 3.531 3.475 3.576     .  0 0 "[    .    1    .    2]" 1 
        870 1  70 HIS HB3  1  71 ASP HA   . .  7.000 4.543 4.481 4.597     .  0 0 "[    .    1    .    2]" 1 
        871 1  70 HIS HB3  1  80 VAL MG1  . .  6.300 3.812 3.695 3.950     .  0 0 "[    .    1    .    2]" 1 
        872 1  70 HIS HB3  1  80 VAL MG2  . .  4.000 2.920 2.726 3.166     .  0 0 "[    .    1    .    2]" 1 
        873 1  70 HIS HD1  1  80 VAL MG2  . .  8.000 4.762 4.696 4.882     .  0 0 "[    .    1    .    2]" 1 
        874 1  70 HIS HD2  1  80 VAL H    . .  6.500 5.606 5.460 5.687     .  0 0 "[    .    1    .    2]" 1 
        875 1  70 HIS HD2  1  80 VAL HB   . .  5.000 4.914 4.822 5.000     . 10 0 "[    .    1    .    2]" 1 
        876 1  70 HIS HD2  1  80 VAL MG1  . .  5.800 4.477 4.420 4.535     .  0 0 "[    .    1    .    2]" 1 
        877 1  70 HIS HD2  1 106 HIS HD2  . .  7.000 4.441 4.340 4.527     .  0 0 "[    .    1    .    2]" 1 
        878 1  71 ASP H    1  74 THR MG   . .  6.300 4.440 4.224 4.628     .  0 0 "[    .    1    .    2]" 1 
        879 1  71 ASP H    1  78 SER HG   . .  7.000 4.346 4.090 4.792     .  0 0 "[    .    1    .    2]" 1 
        880 1  71 ASP H    1  80 VAL MG1  . .  8.000 5.657 5.518 5.795     .  0 0 "[    .    1    .    2]" 1 
        881 1  71 ASP HA   1  72 LYS QG   . .  5.680 3.582 3.216 4.026     .  0 0 "[    .    1    .    2]" 1 
        882 1  71 ASP HA   1  74 THR MG   . .  5.900 4.169 4.058 4.338     .  0 0 "[    .    1    .    2]" 1 
        883 1  71 ASP HA   1  80 VAL MG1  . .  8.000 5.380 5.179 5.582     .  0 0 "[    .    1    .    2]" 1 
        884 1  71 ASP HA   1  80 VAL MG2  . .  8.000 5.909 5.771 6.090     .  0 0 "[    .    1    .    2]" 1 
        885 1  71 ASP QB   1  72 LYS QG   . .  8.880 4.792 4.581 5.081     .  0 0 "[    .    1    .    2]" 1 
        886 1  71 ASP QB   1  74 THR MG   . .  5.500 2.081 1.875 2.293     .  0 0 "[    .    1    .    2]" 1 
        887 1  72 LYS HA   1  72 LYS QD   . .  4.400 3.968 3.868 4.044     .  0 0 "[    .    1    .    2]" 1 
        888 1  72 LYS HA   1  72 LYS HG2  . .  3.300 3.007 2.162 3.348 0.048 16 0 "[    .    1    .    2]" 1 
        889 1  72 LYS HA   1  72 LYS QG   . .  3.080 2.470 2.128 2.590     .  0 0 "[    .    1    .    2]" 1 
        890 1  72 LYS HA   1  72 LYS HG3  . .  3.300 2.832 2.448 3.354 0.054 11 0 "[    .    1    .    2]" 1 
        891 1  72 LYS HA   1  74 THR MG   . .  5.800 3.467 3.343 3.632     .  0 0 "[    .    1    .    2]" 1 
        892 1  72 LYS HA   1  80 VAL MG1  . .  6.400 5.129 4.952 5.229     .  0 0 "[    .    1    .    2]" 1 
        893 1  72 LYS HA   1  81 GLY H    . .  5.700 3.799 3.544 4.090     .  0 0 "[    .    1    .    2]" 1 
        894 1  72 LYS HA   1  81 GLY QA   . .  4.480 2.722 2.519 2.960     .  0 0 "[    .    1    .    2]" 1 
        895 1  72 LYS QD   1  80 VAL MG1  . .  6.400 3.101 2.405 3.601     .  0 0 "[    .    1    .    2]" 1 
        896 1  72 LYS QD   1  84 VAL MG1  . .  6.500 3.362 2.384 4.464     .  0 0 "[    .    1    .    2]" 1 
        897 1  72 LYS QD   1  84 VAL MG2  . .  6.800 2.541 1.798 3.283     .  0 0 "[    .    1    .    2]" 1 
        898 1  72 LYS QE   1  80 VAL MG1  . .  6.400 2.674 1.925 4.279     .  0 0 "[    .    1    .    2]" 1 
        899 1  72 LYS QE   1  80 VAL MG2  . .  8.600 4.794 3.648 6.226     .  0 0 "[    .    1    .    2]" 1 
        900 1  72 LYS QE   1  84 VAL MG1  . .  7.400 3.514 2.465 4.982     .  0 0 "[    .    1    .    2]" 1 
        901 1  72 LYS QE   1  84 VAL MG2  . .  6.600 2.568 1.780 3.197     .  0 0 "[    .    1    .    2]" 1 
        902 1  72 LYS QG   1  80 VAL MG1  . .  6.080 2.765 2.519 3.020     .  0 0 "[    .    1    .    2]" 1 
        903 1  72 LYS QG   1  81 GLY QA   . .  4.210 2.059 1.923 2.456     .  0 0 "[    .    1    .    2]" 1 
        904 1  72 LYS HG2  1  81 GLY HA2  . .  5.050 2.113 1.989 2.540     .  0 0 "[    .    1    .    2]" 1 
        905 1  72 LYS HG2  1  81 GLY HA3  . .  5.050 3.395 2.916 3.570     .  0 0 "[    .    1    .    2]" 1 
        906 1  72 LYS HG3  1  81 GLY HA2  . .  5.050 3.331 2.696 4.090     .  0 0 "[    .    1    .    2]" 1 
        907 1  72 LYS HG3  1  81 GLY HA3  . .  5.050 4.198 3.492 5.042     .  0 0 "[    .    1    .    2]" 1 
        908 1  74 THR HA   1  74 THR MG   . .  3.400 2.380 2.327 2.470     .  0 0 "[    .    1    .    2]" 1 
        909 1  74 THR HA   1  75 LYS H    . .  3.500 2.349 2.297 2.384     .  0 0 "[    .    1    .    2]" 1 
        910 1  74 THR HA   1  76 PHE H    . .  6.100 3.938 3.830 3.988     .  0 0 "[    .    1    .    2]" 1 
        911 1  74 THR HB   1  75 LYS H    . .  4.100 2.787 2.699 2.927     .  0 0 "[    .    1    .    2]" 1 
        912 1  74 THR HB   1  75 LYS HB2  . .  6.900 5.341 5.211 5.472     .  0 0 "[    .    1    .    2]" 1 
        913 1  74 THR HB   1  75 LYS HB3  . .  5.000 4.588 4.519 4.731     .  0 0 "[    .    1    .    2]" 1 
        914 1  74 THR HB   1  75 LYS HG2  . .  6.800 6.368 6.218 6.676     .  0 0 "[    .    1    .    2]" 1 
        915 1  74 THR HB   1  76 PHE H    . .  4.000 2.581 2.547 2.626     .  0 0 "[    .    1    .    2]" 1 
        916 1  74 THR MG   1  75 LYS H    . .  4.900 3.925 3.881 3.980     .  0 0 "[    .    1    .    2]" 1 
        917 1  74 THR MG   1  78 SER HA   . .  6.100 4.927 4.789 4.975     .  0 0 "[    .    1    .    2]" 1 
        918 1  74 THR MG   1  78 SER HB3  . .  5.700 3.082 2.810 3.482     .  0 0 "[    .    1    .    2]" 1 
        919 1  75 LYS H    1  75 LYS HB2  . .  3.600 2.592 2.484 2.674     .  0 0 "[    .    1    .    2]" 1 
        920 1  75 LYS H    1  76 PHE H    . .  4.200 2.570 2.560 2.578     .  0 0 "[    .    1    .    2]" 1 
        921 1  75 LYS H    1  76 PHE QD   . .  9.140 4.347 4.166 4.450     .  0 0 "[    .    1    .    2]" 1 
        922 1  75 LYS HA   1  75 LYS HB2  . .  2.700 2.408 2.371 2.461     .  0 0 "[    .    1    .    2]" 1 
        923 1  75 LYS HA   1  75 LYS HG2  . .  3.500 3.099 2.445 3.516 0.016 19 0 "[    .    1    .    2]" 1 
        924 1  75 LYS HA   1  75 LYS HG3  . .  3.500 2.705 2.400 3.406     .  0 0 "[    .    1    .    2]" 1 
        925 1  75 LYS HA   1  76 PHE QD   . .  9.140 5.316 5.247 5.386     .  0 0 "[    .    1    .    2]" 1 
        926 1  75 LYS HA   1  76 PHE QE   . .  8.530 6.171 6.036 6.313     .  0 0 "[    .    1    .    2]" 1 
        927 1  75 LYS HB2  1  76 PHE H    . .  4.300 4.246 4.190 4.296     .  0 0 "[    .    1    .    2]" 1 
        928 1  75 LYS HB2  1  76 PHE HZ   . .  7.000 6.515 6.321 6.678     .  0 0 "[    .    1    .    2]" 1 
        929 1  75 LYS HB3  1  76 PHE H    . .  3.700 3.166 3.108 3.222     .  0 0 "[    .    1    .    2]" 1 
        930 1  75 LYS HB3  1  76 PHE HZ   . .  6.300 5.214 5.045 5.405     .  0 0 "[    .    1    .    2]" 1 
        931 1  75 LYS QD   1  76 PHE QD   . . 10.140 4.319 2.952 5.518     .  0 0 "[    .    1    .    2]" 1 
        932 1  75 LYS QD   1  76 PHE QE   . .  8.430 3.653 2.593 5.092     .  0 0 "[    .    1    .    2]" 1 
        933 1  75 LYS QD   1  76 PHE HZ   . .  6.600 3.986 2.856 5.515     .  0 0 "[    .    1    .    2]" 1 
        934 1  75 LYS QE   1  76 PHE QE   . .  8.130 3.575 2.411 4.884     .  0 0 "[    .    1    .    2]" 1 
        935 1  75 LYS QE   1  76 PHE HZ   . .  5.700 3.617 2.411 5.092     .  0 0 "[    .    1    .    2]" 1 
        936 1  75 LYS HG2  1  76 PHE QD   . .  7.340 4.047 3.718 4.788     .  0 0 "[    .    1    .    2]" 1 
        937 1  75 LYS HG2  1  76 PHE HZ   . .  5.600 4.508 3.783 5.599     .  0 0 "[    .    1    .    2]" 1 
        938 1  75 LYS HG3  1  76 PHE HA   . .  6.500 5.187 4.525 6.001     .  0 0 "[    .    1    .    2]" 1 
        939 1  75 LYS HG3  1  76 PHE QD   . .  8.140 5.182 4.803 5.584     .  0 0 "[    .    1    .    2]" 1 
        940 1  75 LYS HG3  1  76 PHE QE   . .  7.430 5.128 4.822 5.304     .  0 0 "[    .    1    .    2]" 1 
        941 1  75 LYS HG3  1  76 PHE HZ   . .  5.800 5.725 5.423 5.809 0.009 12 0 "[    .    1    .    2]" 1 
        942 1  76 PHE H    1  77 LYS H    . .  6.400 4.521 4.505 4.548     .  0 0 "[    .    1    .    2]" 1 
        943 1  76 PHE HA   1  76 PHE HB3  . .  2.800 2.596 2.579 2.613     .  0 0 "[    .    1    .    2]" 1 
        944 1  76 PHE HA   1  76 PHE QE   . .  5.420 4.582 4.544 4.634     .  0 0 "[    .    1    .    2]" 1 
        945 1  76 PHE HA   1  76 PHE HZ   . .  7.000 6.045 6.016 6.075     .  0 0 "[    .    1    .    2]" 1 
        946 1  76 PHE HB2  1  77 LYS H    . .  3.900 3.907 3.884 3.923 0.023 18 0 "[    .    1    .    2]" 1 
        947 1  77 LYS H    1  77 LYS HB2  . .  3.500 2.191 2.040 2.358     .  0 0 "[    .    1    .    2]" 1 
        948 1  77 LYS H    1  77 LYS HB3  . .  3.900 3.463 3.326 3.533     .  0 0 "[    .    1    .    2]" 1 
        949 1  77 LYS H    1  77 LYS QG   . .  4.480 2.736 2.277 3.271     .  0 0 "[    .    1    .    2]" 1 
        950 1  77 LYS H    1  78 SER H    . .  5.000 4.566 4.543 4.580     .  0 0 "[    .    1    .    2]" 1 
        951 1  77 LYS HA   1  77 LYS HG2  . .  3.800 2.381 2.040 3.076     .  0 0 "[    .    1    .    2]" 1 
        952 1  77 LYS HA   1  77 LYS QG   . .  3.600 2.169 1.976 2.353     .  0 0 "[    .    1    .    2]" 1 
        953 1  77 LYS HA   1  77 LYS HG3  . .  3.800 2.903 2.000 3.576     .  0 0 "[    .    1    .    2]" 1 
        954 1  77 LYS HA   1  78 SER H    . .  2.400 2.189 2.181 2.196     .  0 0 "[    .    1    .    2]" 1 
        955 1  77 LYS HA   1  78 SER HA   . .  5.200 4.319 4.316 4.323     .  0 0 "[    .    1    .    2]" 1 
        956 1  77 LYS HB2  1  82 CYS HB2  . .  4.500 3.949 3.717 4.160     .  0 0 "[    .    1    .    2]" 1 
        957 1  77 LYS HB3  1  78 SER H    . .  3.600 3.489 3.367 3.612 0.012 20 0 "[    .    1    .    2]" 1 
        958 1  77 LYS HB3  1  78 SER HA   . .  7.000 4.688 4.581 4.795     .  0 0 "[    .    1    .    2]" 1 
        959 1  77 LYS QD   1  78 SER H    . .  6.500 4.882 3.551 5.561     .  0 0 "[    .    1    .    2]" 1 
        960 1  77 LYS QG   1  78 SER H    . .  5.880 3.867 3.475 4.260     .  0 0 "[    .    1    .    2]" 1 
        961 1  77 LYS QG   1  82 CYS HB2  . .  6.080 3.682 2.672 4.330     .  0 0 "[    .    1    .    2]" 1 
        962 1  78 SER H    1  78 SER HB2  . .  4.100 3.596 3.363 3.661     .  0 0 "[    .    1    .    2]" 1 
        963 1  78 SER H    1  78 SER HB3  . .  3.800 2.461 2.176 2.611     .  0 0 "[    .    1    .    2]" 1 
        964 1  78 SER H    1  78 SER HG   . .  5.300 3.712 3.390 4.059     .  0 0 "[    .    1    .    2]" 1 
        965 1  78 SER H    1  80 VAL H    . .  7.000 5.643 5.542 5.702     .  0 0 "[    .    1    .    2]" 1 
        966 1  78 SER H    1  81 GLY H    . .  4.700 3.639 3.581 3.723     .  0 0 "[    .    1    .    2]" 1 
        967 1  78 SER H    1  81 GLY HA2  . .  5.700 4.241 4.175 4.354     .  0 0 "[    .    1    .    2]" 1 
        968 1  78 SER H    1  81 GLY QA   . .  4.970 2.480 2.418 2.591     .  0 0 "[    .    1    .    2]" 1 
        969 1  78 SER H    1  81 GLY HA3  . .  5.700 2.497 2.433 2.610     .  0 0 "[    .    1    .    2]" 1 
        970 1  78 SER H    1  82 CYS H    . .  5.700 3.198 3.163 3.274     .  0 0 "[    .    1    .    2]" 1 
        971 1  78 SER HA   1  78 SER HB2  . .  2.800 2.323 2.260 2.369     .  0 0 "[    .    1    .    2]" 1 
        972 1  78 SER HA   1  78 SER HB3  . .  2.900 2.678 2.584 2.902 0.002 18 0 "[    .    1    .    2]" 1 
        973 1  78 SER HA   1  79 CYS H    . .  2.800 2.463 2.425 2.500     .  0 0 "[    .    1    .    2]" 1 
        974 1  78 SER HA   1  79 CYS HA   . .  6.000 4.285 4.284 4.286     .  0 0 "[    .    1    .    2]" 1 
        975 1  78 SER HA   1  79 CYS HB3  . .  6.700 5.889 5.869 5.908     .  0 0 "[    .    1    .    2]" 1 
        976 1  78 SER HA   1  81 GLY H    . .  6.100 4.315 4.241 4.564     .  0 0 "[    .    1    .    2]" 1 
        977 1  78 SER HA   1  82 CYS H    . .  6.900 4.549 4.504 4.601     .  0 0 "[    .    1    .    2]" 1 
        978 1  78 SER HB2  1  79 CYS H    . .  3.600 2.851 2.646 3.295     .  0 0 "[    .    1    .    2]" 1 
        979 1  78 SER HB2  1  80 VAL MG2  . .  8.000 5.329 5.100 5.861     .  0 0 "[    .    1    .    2]" 1 
        980 1  78 SER HB2  1  81 GLY H    . .  6.100 3.579 3.397 3.917     .  0 0 "[    .    1    .    2]" 1 
        981 1  78 SER HB3  1  79 CYS H    . .  4.100 4.081 4.010 4.116 0.016 10 0 "[    .    1    .    2]" 1 
        982 1  78 SER HB3  1  80 VAL H    . .  6.500 5.081 4.810 5.165     .  0 0 "[    .    1    .    2]" 1 
        983 1  78 SER HB3  1  80 VAL MG2  . .  8.000 6.169 5.937 6.272     .  0 0 "[    .    1    .    2]" 1 
        984 1  78 SER HG   1  79 CYS H    . .  6.600 4.223 3.797 4.545     .  0 0 "[    .    1    .    2]" 1 
        985 1  78 SER HG   1  81 GLY H    . .  3.800 2.269 2.096 2.416     .  0 0 "[    .    1    .    2]" 1 
        986 1  79 CYS H    1  79 CYS HB2  . .  3.700 2.671 2.637 2.708     .  0 0 "[    .    1    .    2]" 1 
        987 1  79 CYS H    1  79 CYS HB3  . .  4.000 3.560 3.558 3.564     .  0 0 "[    .    1    .    2]" 1 
        988 1  79 CYS H    1  80 VAL H    . .  3.500 3.122 3.066 3.165     .  0 0 "[    .    1    .    2]" 1 
        989 1  79 CYS H    1  80 VAL HB   . .  5.300 5.138 5.079 5.202     .  0 0 "[    .    1    .    2]" 1 
        990 1  79 CYS H    1  80 VAL MG1  . .  8.000 6.131 6.089 6.177     .  0 0 "[    .    1    .    2]" 1 
        991 1  79 CYS H    1  80 VAL MG2  . .  6.400 4.669 4.574 4.760     .  0 0 "[    .    1    .    2]" 1 
        992 1  79 CYS H    1  81 GLY H    . .  4.900 3.876 3.804 4.168     .  0 0 "[    .    1    .    2]" 1 
        993 1  79 CYS H    1  82 CYS H    . .  6.300 4.715 4.688 4.768     .  0 0 "[    .    1    .    2]" 1 
        994 1  79 CYS HA   1  79 CYS HB3  . .  3.000 2.431 2.422 2.441     .  0 0 "[    .    1    .    2]" 1 
        995 1  79 CYS HA   1  80 VAL MG2  . .  8.000 4.854 4.781 4.935     .  0 0 "[    .    1    .    2]" 1 
        996 1  79 CYS HA   1  83 HIS H    . .  5.600 4.147 4.084 4.258     .  0 0 "[    .    1    .    2]" 1 
        997 1  79 CYS HB2  1  80 VAL H    . .  2.800 2.105 2.088 2.144     .  0 0 "[    .    1    .    2]" 1 
        998 1  79 CYS HB2  1  80 VAL MG1  . .  6.800 5.194 5.178 5.227     .  0 0 "[    .    1    .    2]" 1 
        999 1  79 CYS HB2  1  80 VAL MG2  . .  4.400 2.871 2.733 3.067     .  0 0 "[    .    1    .    2]" 1 
       1000 1  79 CYS HB3  1  80 VAL H    . .  3.200 3.310 3.288 3.327 0.127  6 0 "[    .    1    .    2]" 1 
       1001 1  79 CYS HB3  1  80 VAL MG1  . .  7.000 5.825 5.804 5.844     .  0 0 "[    .    1    .    2]" 1 
       1002 1  79 CYS HB3  1  80 VAL MG2  . .  4.900 3.695 3.572 3.817     .  0 0 "[    .    1    .    2]" 1 
       1003 1  80 VAL H    1  80 VAL HB   . .  2.700 2.361 2.332 2.383     .  0 0 "[    .    1    .    2]" 1 
       1004 1  80 VAL H    1  80 VAL MG1  . .  4.300 3.694 3.688 3.698     .  0 0 "[    .    1    .    2]" 1 
       1005 1  80 VAL H    1  80 VAL MG2  . .  3.000 2.146 2.024 2.318     .  0 0 "[    .    1    .    2]" 1 
       1006 1  80 VAL H    1  81 GLY H    . .  3.200 2.614 2.599 2.699     .  0 0 "[    .    1    .    2]" 1 
       1007 1  80 VAL H    1  81 GLY QA   . .  7.280 4.439 4.430 4.475     .  0 0 "[    .    1    .    2]" 1 
       1008 1  80 VAL H    1  82 CYS H    . .  5.800 4.662 4.559 4.699     .  0 0 "[    .    1    .    2]" 1 
       1009 1  80 VAL H    1  83 HIS H    . .  6.400 4.687 4.650 4.703     .  0 0 "[    .    1    .    2]" 1 
       1010 1  80 VAL HA   1  80 VAL MG1  . .  3.300 2.417 2.365 2.522     .  0 0 "[    .    1    .    2]" 1 
       1011 1  80 VAL HA   1  80 VAL MG2  . .  3.200 2.339 2.227 2.425     .  0 0 "[    .    1    .    2]" 1 
       1012 1  80 VAL HA   1  82 CYS H    . .  7.000 4.731 4.618 4.777     .  0 0 "[    .    1    .    2]" 1 
       1013 1  80 VAL HA   1  83 HIS H    . .  3.500 3.350 3.249 3.392     .  0 0 "[    .    1    .    2]" 1 
       1014 1  80 VAL HA   1  83 HIS HB2  . .  2.500 1.908 1.878 1.932     .  0 0 "[    .    1    .    2]" 1 
       1015 1  80 VAL HA   1  83 HIS HD1  . .  5.300 3.919 3.849 3.999     .  0 0 "[    .    1    .    2]" 1 
       1016 1  80 VAL HA   1  84 VAL H    . .  4.500 3.626 3.580 3.675     .  0 0 "[    .    1    .    2]" 1 
       1017 1  80 VAL HA   1  84 VAL MG2  . .  6.200 3.458 3.423 3.507     .  0 0 "[    .    1    .    2]" 1 
       1018 1  80 VAL HA   1  98 THR HA   . .  4.600 3.595 3.509 3.721     .  0 0 "[    .    1    .    2]" 1 
       1019 1  80 VAL HA   1  98 THR HB   . .  6.100 4.043 3.888 4.175     .  0 0 "[    .    1    .    2]" 1 
       1020 1  80 VAL HA   1  98 THR MG   . .  5.200 2.795 2.729 2.885     .  0 0 "[    .    1    .    2]" 1 
       1021 1  80 VAL HB   1  81 GLY H    . .  3.500 2.797 2.541 2.853     .  0 0 "[    .    1    .    2]" 1 
       1022 1  80 VAL HB   1  82 CYS H    . .  6.300 5.560 5.369 5.612     .  0 0 "[    .    1    .    2]" 1 
       1023 1  80 VAL HB   1  83 HIS H    . .  6.100 5.546 5.437 5.584     .  0 0 "[    .    1    .    2]" 1 
       1024 1  80 VAL MG1  1  81 GLY H    . .  4.800 3.583 3.291 3.656     .  0 0 "[    .    1    .    2]" 1 
       1025 1  80 VAL MG1  1  81 GLY HA2  . .  5.800 3.669 3.503 3.780     .  0 0 "[    .    1    .    2]" 1 
       1026 1  80 VAL MG1  1  81 GLY QA   . .  5.530 3.543 3.387 3.639     .  0 0 "[    .    1    .    2]" 1 
       1027 1  80 VAL MG1  1  81 GLY HA3  . .  5.800 4.679 4.495 4.750     .  0 0 "[    .    1    .    2]" 1 
       1028 1  80 VAL MG1  1  82 CYS H    . .  8.000 5.328 5.138 5.395     .  0 0 "[    .    1    .    2]" 1 
       1029 1  80 VAL MG1  1  83 HIS H    . .  6.700 4.639 4.497 4.688     .  0 0 "[    .    1    .    2]" 1 
       1030 1  80 VAL MG1  1  83 HIS HB2  . .  5.200 3.394 3.222 3.530     .  0 0 "[    .    1    .    2]" 1 
       1031 1  80 VAL MG1  1  83 HIS HD1  . .  7.000 5.035 4.941 5.139     .  0 0 "[    .    1    .    2]" 1 
       1032 1  80 VAL MG1  1  84 VAL H    . .  5.800 3.450 3.322 3.548     .  0 0 "[    .    1    .    2]" 1 
       1033 1  80 VAL MG1  1  84 VAL HA   . .  6.600 4.224 4.146 4.309     .  0 0 "[    .    1    .    2]" 1 
       1034 1  80 VAL MG1  1  84 VAL HB   . .  5.700 3.987 3.860 4.142     .  0 0 "[    .    1    .    2]" 1 
       1035 1  80 VAL MG1  1  84 VAL MG1  . .  6.400 4.056 4.021 4.128     .  0 0 "[    .    1    .    2]" 1 
       1036 1  80 VAL MG1  1  84 VAL MG2  . .  4.500 1.888 1.792 1.989     .  0 0 "[    .    1    .    2]" 1 
       1037 1  80 VAL MG1  1  97 LEU HB3  . .  8.000 5.556 5.439 5.711     .  0 0 "[    .    1    .    2]" 1 
       1038 1  80 VAL MG1  1  98 THR HA   . .  4.400 2.812 2.608 2.975     .  0 0 "[    .    1    .    2]" 1 
       1039 1  80 VAL MG1  1  98 THR HB   . .  3.900 1.971 1.923 2.106     .  0 0 "[    .    1    .    2]" 1 
       1040 1  80 VAL MG1  1  98 THR MG   . .  4.600 2.398 2.293 2.627     .  0 0 "[    .    1    .    2]" 1 
       1041 1  80 VAL MG2  1  81 GLY H    . .  4.600 3.958 3.906 4.003     .  0 0 "[    .    1    .    2]" 1 
       1042 1  80 VAL MG2  1  83 HIS H    . .  6.400 5.080 5.019 5.125     .  0 0 "[    .    1    .    2]" 1 
       1043 1  80 VAL MG2  1  83 HIS HB2  . .  5.000 3.819 3.734 3.883     .  0 0 "[    .    1    .    2]" 1 
       1044 1  80 VAL MG2  1  84 VAL MG2  . .  8.200 4.044 4.004 4.085     .  0 0 "[    .    1    .    2]" 1 
       1045 1  80 VAL MG2  1  98 THR HA   . .  4.800 2.706 2.511 2.871     .  0 0 "[    .    1    .    2]" 1 
       1046 1  80 VAL MG2  1  98 THR HB   . .  5.700 3.553 3.366 3.665     .  0 0 "[    .    1    .    2]" 1 
       1047 1  80 VAL MG2  1  98 THR MG   . .  5.700 3.647 3.578 3.703     .  0 0 "[    .    1    .    2]" 1 
       1048 1  80 VAL MG2  1 106 HIS HD2  . .  7.300 5.281 5.106 5.414     .  0 0 "[    .    1    .    2]" 1 
       1049 1  81 GLY H    1  81 GLY HA2  . .  2.900 2.744 2.679 2.754     .  0 0 "[    .    1    .    2]" 1 
       1050 1  81 GLY H    1  81 GLY QA   . .  2.660 2.153 2.152 2.154     .  0 0 "[    .    1    .    2]" 1 
       1051 1  81 GLY H    1  81 GLY HA3  . .  2.900 2.250 2.248 2.269     .  0 0 "[    .    1    .    2]" 1 
       1052 1  81 GLY H    1  82 CYS H    . .  3.300 3.019 2.991 3.152     .  0 0 "[    .    1    .    2]" 1 
       1053 1  81 GLY H    1  83 HIS H    . .  4.800 4.088 4.049 4.271     .  0 0 "[    .    1    .    2]" 1 
       1054 1  81 GLY H    1  84 VAL MG2  . .  6.300 4.005 3.862 4.274     .  0 0 "[    .    1    .    2]" 1 
       1055 1  81 GLY QA   1  83 HIS H    . .  6.320 4.151 4.128 4.209     .  0 0 "[    .    1    .    2]" 1 
       1056 1  81 GLY QA   1  84 VAL H    . .  6.280 3.531 3.515 3.543     .  0 0 "[    .    1    .    2]" 1 
       1057 1  81 GLY QA   1  84 VAL MG2  . .  6.180 2.725 2.524 3.052     .  0 0 "[    .    1    .    2]" 1 
       1058 1  81 GLY HA2  1  83 HIS H    . .  7.000 4.707 4.675 4.765     .  0 0 "[    .    1    .    2]" 1 
       1059 1  81 GLY HA3  1  83 HIS H    . .  7.000 4.614 4.591 4.685     .  0 0 "[    .    1    .    2]" 1 
       1060 1  82 CYS H    1  82 CYS HB2  . .  2.900 2.487 2.441 2.503     .  0 0 "[    .    1    .    2]" 1 
       1061 1  82 CYS H    1  82 CYS HB3  . .  2.700 2.518 2.502 2.563     .  0 0 "[    .    1    .    2]" 1 
       1062 1  82 CYS H    1  83 HIS H    . .  2.900 2.637 2.627 2.665     .  0 0 "[    .    1    .    2]" 1 
       1063 1  82 CYS H    1  83 HIS HA   . .  5.800 5.166 5.158 5.189     .  0 0 "[    .    1    .    2]" 1 
       1064 1  82 CYS H    1  85 GLU H    . .  5.600 4.793 4.756 4.829     .  0 0 "[    .    1    .    2]" 1 
       1065 1  82 CYS HA   1  82 CYS HB2  . .  2.700 2.469 2.461 2.492     .  0 0 "[    .    1    .    2]" 1 
       1066 1  82 CYS HA   1  83 HIS HD2  . .  6.300 5.216 5.193 5.232     .  0 0 "[    .    1    .    2]" 1 
       1067 1  82 CYS HA   1  84 VAL H    . .  4.300 4.328 4.309 4.346 0.046 17 0 "[    .    1    .    2]" 1 
       1068 1  82 CYS HA   1  85 GLU H    . .  4.000 3.235 3.216 3.257     .  0 0 "[    .    1    .    2]" 1 
       1069 1  82 CYS HA   1  85 GLU HB2  . .  3.800 2.564 2.496 2.647     .  0 0 "[    .    1    .    2]" 1 
       1070 1  82 CYS HA   1  85 GLU HB3  . .  4.100 4.050 3.966 4.124 0.024 16 0 "[    .    1    .    2]" 1 
       1071 1  82 CYS HB2  1  83 HIS H    . .  4.100 3.893 3.828 3.911     .  0 0 "[    .    1    .    2]" 1 
       1072 1  82 CYS HB3  1  83 HIS H    . .  3.100 2.623 2.557 2.647     .  0 0 "[    .    1    .    2]" 1 
       1073 1  83 HIS H    1  83 HIS HB2  . .  2.600 2.263 2.253 2.282     .  0 0 "[    .    1    .    2]" 1 
       1074 1  83 HIS H    1  83 HIS HD1  . .  4.700 4.879 4.855 4.905 0.205 19 0 "[    .    1    .    2]" 1 
       1075 1  83 HIS H    1  83 HIS HD2  . .  3.000 2.642 2.610 2.683     .  0 0 "[    .    1    .    2]" 1 
       1076 1  83 HIS H    1  84 VAL H    . .  3.000 2.815 2.811 2.828     .  0 0 "[    .    1    .    2]" 1 
       1077 1  83 HIS H    1  84 VAL HA   . .  5.900 5.330 5.324 5.338     .  0 0 "[    .    1    .    2]" 1 
       1078 1  83 HIS H    1  84 VAL HB   . .  5.500 4.856 4.785 4.923     .  0 0 "[    .    1    .    2]" 1 
       1079 1  83 HIS H    1  84 VAL MG1  . .  7.000 5.942 5.907 5.970     .  0 0 "[    .    1    .    2]" 1 
       1080 1  83 HIS H    1  86 VAL H    . .  5.000 4.513 4.441 4.534     .  0 0 "[    .    1    .    2]" 1 
       1081 1  83 HIS H    1  86 VAL HB   . .  5.300 4.862 4.633 4.907     .  0 0 "[    .    1    .    2]" 1 
       1082 1  83 HIS H    1  98 THR HA   . .  7.000 6.355 6.219 6.461     .  0 0 "[    .    1    .    2]" 1 
       1083 1  83 HIS H    1  98 THR MG   . .  6.000 4.059 3.986 4.098     .  0 0 "[    .    1    .    2]" 1 
       1084 1  83 HIS HA   1  83 HIS HD1  . .  4.500 4.366 4.335 4.388     .  0 0 "[    .    1    .    2]" 1 
       1085 1  83 HIS HA   1  85 GLU H    . .  4.800 4.146 4.094 4.266     .  0 0 "[    .    1    .    2]" 1 
       1086 1  83 HIS HA   1  86 VAL H    . .  3.100 3.012 2.970 3.037     .  0 0 "[    .    1    .    2]" 1 
       1087 1  83 HIS HA   1  86 VAL HB   . .  2.300 2.285 2.106 2.336 0.036 17 0 "[    .    1    .    2]" 1 
       1088 1  83 HIS HA   1  88 GLY H    . .  7.000 5.647 5.546 5.738     .  0 0 "[    .    1    .    2]" 1 
       1089 1  83 HIS HA   1  97 LEU MD1  . .  4.100 3.166 3.016 3.279     .  0 0 "[    .    1    .    2]" 1 
       1090 1  83 HIS HA   1  98 THR MG   . .  5.400 3.838 3.767 3.895     .  0 0 "[    .    1    .    2]" 1 
       1091 1  83 HIS HB2  1  83 HIS HD1  . .  3.400 3.172 3.149 3.201     .  0 0 "[    .    1    .    2]" 1 
       1092 1  83 HIS HB2  1  84 VAL H    . .  3.900 2.780 2.764 2.791     .  0 0 "[    .    1    .    2]" 1 
       1093 1  83 HIS HB2  1  98 THR HA   . .  5.800 4.132 3.985 4.233     .  0 0 "[    .    1    .    2]" 1 
       1094 1  83 HIS HB2  1  98 THR MG   . .  3.200 2.291 2.196 2.354     .  0 0 "[    .    1    .    2]" 1 
       1095 1  83 HIS HB3  1  84 VAL H    . .  4.200 3.468 3.455 3.487     .  0 0 "[    .    1    .    2]" 1 
       1096 1  83 HIS HB3  1  97 LEU MD2  . .  5.000 3.999 3.947 4.031     .  0 0 "[    .    1    .    2]" 1 
       1097 1  83 HIS HB3  1  98 THR HA   . .  5.000 3.961 3.876 4.055     .  0 0 "[    .    1    .    2]" 1 
       1098 1  83 HIS HB3  1  98 THR MG   . .  3.600 1.960 1.913 2.016     .  0 0 "[    .    1    .    2]" 1 
       1099 1  83 HIS HD1  1  84 VAL H    . .  6.000 5.783 5.766 5.799     .  0 0 "[    .    1    .    2]" 1 
       1100 1  83 HIS HD1  1  87 ALA MB   . .  6.500 5.233 5.065 5.332     .  0 0 "[    .    1    .    2]" 1 
       1101 1  83 HIS HD1  1  97 LEU H    . .  4.900 4.642 4.577 4.708     .  0 0 "[    .    1    .    2]" 1 
       1102 1  83 HIS HD1  1  97 LEU HA   . .  3.200 2.373 2.263 2.515     .  0 0 "[    .    1    .    2]" 1 
       1103 1  83 HIS HD1  1  97 LEU HB2  . .  3.800 3.849 3.825 3.866 0.066 11 0 "[    .    1    .    2]" 1 
       1104 1  83 HIS HD1  1  97 LEU MD2  . .  3.900 2.798 2.685 2.922     .  0 0 "[    .    1    .    2]" 1 
       1105 1  83 HIS HD1  1  98 THR H    . .  7.000 4.297 4.224 4.371     .  0 0 "[    .    1    .    2]" 1 
       1106 1  83 HIS HD1  1  98 THR HA   . .  4.900 3.830 3.706 3.894     .  0 0 "[    .    1    .    2]" 1 
       1107 1  83 HIS HD1  1  98 THR MG   . .  5.100 3.496 3.441 3.535     .  0 0 "[    .    1    .    2]" 1 
       1108 1  83 HIS HE1  1  97 LEU MD2  . .  4.000 2.822 2.638 2.955     .  0 0 "[    .    1    .    2]" 1 
       1109 1  84 VAL H    1  84 VAL HA   . .  2.700 2.767 2.759 2.773 0.073 20 0 "[    .    1    .    2]" 1 
       1110 1  84 VAL H    1  84 VAL MG2  . .  3.000 2.216 2.098 2.282     .  0 0 "[    .    1    .    2]" 1 
       1111 1  84 VAL H    1  86 VAL MG2  . .  6.100 4.927 4.833 4.968     .  0 0 "[    .    1    .    2]" 1 
       1112 1  84 VAL H    1  98 THR MG   . .  4.000 2.812 2.735 2.882     .  0 0 "[    .    1    .    2]" 1 
       1113 1  84 VAL HA   1  84 VAL HB   . .  3.000 3.021 3.013 3.024 0.024 11 0 "[    .    1    .    2]" 1 
       1114 1  84 VAL HA   1  84 VAL MG1  . .  3.500 2.458 2.365 2.526     .  0 0 "[    .    1    .    2]" 1 
       1115 1  84 VAL HA   1  84 VAL MG2  . .  3.000 2.314 2.277 2.360     .  0 0 "[    .    1    .    2]" 1 
       1116 1  84 VAL HA   1  86 VAL H    . .  5.700 4.329 4.273 4.388     .  0 0 "[    .    1    .    2]" 1 
       1117 1  84 VAL HA   1  87 ALA MB   . .  3.900 2.930 2.800 3.134     .  0 0 "[    .    1    .    2]" 1 
       1118 1  84 VAL HA   1  88 GLY H    . .  5.500 3.701 3.236 4.262     .  0 0 "[    .    1    .    2]" 1 
       1119 1  84 VAL HA   1  97 LEU HB3  . .  7.000 5.458 5.376 5.538     .  0 0 "[    .    1    .    2]" 1 
       1120 1  84 VAL HA   1  98 THR HA   . .  6.200 5.929 5.845 6.046     .  0 0 "[    .    1    .    2]" 1 
       1121 1  84 VAL HA   1  98 THR HB   . .  5.900 4.416 4.302 4.523     .  0 0 "[    .    1    .    2]" 1 
       1122 1  84 VAL HA   1  98 THR MG   . .  3.100 2.066 1.969 2.167     .  0 0 "[    .    1    .    2]" 1 
       1123 1  84 VAL HB   1  85 GLU H    . .  3.200 2.795 2.695 2.839     .  0 0 "[    .    1    .    2]" 1 
       1124 1  84 VAL MG1  1  85 GLU H    . .  4.600 3.540 3.380 3.653     .  0 0 "[    .    1    .    2]" 1 
       1125 1  84 VAL MG1  1  85 GLU HA   . .  5.000 3.522 3.304 3.703     .  0 0 "[    .    1    .    2]" 1 
       1126 1  84 VAL MG1  1  85 GLU HB2  . .  6.300 4.788 4.598 4.929     .  0 0 "[    .    1    .    2]" 1 
       1127 1  84 VAL MG1  1  86 VAL H    . .  7.000 5.025 4.924 5.097     .  0 0 "[    .    1    .    2]" 1 
       1128 1  84 VAL MG1  1  88 GLY H    . .  5.800 4.104 3.702 4.619     .  0 0 "[    .    1    .    2]" 1 
       1129 1  84 VAL MG1  1  98 THR HA   . .  8.000 6.660 6.621 6.694     .  0 0 "[    .    1    .    2]" 1 
       1130 1  84 VAL MG1  1  98 THR HB   . .  6.500 4.873 4.784 4.942     .  0 0 "[    .    1    .    2]" 1 
       1131 1  84 VAL MG2  1  85 GLU HA   . .  7.700 5.434 5.427 5.438     .  0 0 "[    .    1    .    2]" 1 
       1132 1  84 VAL MG2  1  98 THR HA   . .  5.700 4.283 4.187 4.360     .  0 0 "[    .    1    .    2]" 1 
       1133 1  84 VAL MG2  1  98 THR HB   . .  4.600 2.723 2.577 2.870     .  0 0 "[    .    1    .    2]" 1 
       1134 1  85 GLU H    1  85 GLU HA   . .  2.900 2.827 2.825 2.832     .  0 0 "[    .    1    .    2]" 1 
       1135 1  85 GLU H    1  85 GLU HB2  . .  2.800 2.088 2.084 2.093     .  0 0 "[    .    1    .    2]" 1 
       1136 1  85 GLU H    1  85 GLU HB3  . .  3.300 3.366 3.360 3.369 0.069  4 0 "[    .    1    .    2]" 1 
       1137 1  85 GLU H    1  85 GLU HG2  . .  3.700 3.546 3.528 3.559     .  0 0 "[    .    1    .    2]" 1 
       1138 1  85 GLU H    1  85 GLU QG   . .  3.390 3.158 3.150 3.171     .  0 0 "[    .    1    .    2]" 1 
       1139 1  85 GLU H    1  85 GLU HG3  . .  3.700 3.544 3.532 3.563     .  0 0 "[    .    1    .    2]" 1 
       1140 1  85 GLU H    1  86 VAL H    . .  2.600 2.464 2.445 2.471     .  0 0 "[    .    1    .    2]" 1 
       1141 1  85 GLU H    1  86 VAL HA   . .  6.900 5.056 5.044 5.063     .  0 0 "[    .    1    .    2]" 1 
       1142 1  85 GLU H    1  87 ALA MB   . .  6.900 5.001 4.915 5.091     .  0 0 "[    .    1    .    2]" 1 
       1143 1  85 GLU HA   1  85 GLU HG2  . .  3.600 2.009 2.004 2.014     .  0 0 "[    .    1    .    2]" 1 
       1144 1  85 GLU HA   1  85 GLU QG   . .  3.290 1.993 1.988 1.998     .  0 0 "[    .    1    .    2]" 1 
       1145 1  85 GLU HA   1  85 GLU HG3  . .  3.600 3.321 3.311 3.332     .  0 0 "[    .    1    .    2]" 1 
       1146 1  85 GLU HA   1  86 VAL H    . .  3.500 3.566 3.559 3.569 0.069  4 0 "[    .    1    .    2]" 1 
       1147 1  85 GLU HA   1  88 GLY H    . .  3.900 3.478 3.360 3.658     .  0 0 "[    .    1    .    2]" 1 
       1148 1  85 GLU HB2  1  86 VAL H    . .  3.200 3.140 3.127 3.172     .  0 0 "[    .    1    .    2]" 1 
       1149 1  85 GLU HB3  1  86 VAL H    . .  3.400 3.424 3.416 3.443 0.043 17 0 "[    .    1    .    2]" 1 
       1150 1  85 GLU QG   1  86 VAL H    . .  5.080 4.528 4.523 4.542     .  0 0 "[    .    1    .    2]" 1 
       1151 1  86 VAL H    1  86 VAL HA   . .  2.900 2.848 2.834 2.857     .  0 0 "[    .    1    .    2]" 1 
       1152 1  86 VAL H    1  86 VAL HB   . .  3.100 2.377 2.340 2.399     .  0 0 "[    .    1    .    2]" 1 
       1153 1  86 VAL H    1  86 VAL MG2  . .  3.000 2.199 2.091 2.357     .  0 0 "[    .    1    .    2]" 1 
       1154 1  86 VAL H    1  87 ALA H    . .  2.900 2.599 2.555 2.631     .  0 0 "[    .    1    .    2]" 1 
       1155 1  86 VAL H    1  88 GLY H    . .  4.000 3.593 3.414 3.692     .  0 0 "[    .    1    .    2]" 1 
       1156 1  86 VAL H    1  97 LEU HB2  . .  6.800 6.296 6.011 6.577     .  0 0 "[    .    1    .    2]" 1 
       1157 1  86 VAL H    1  97 LEU MD1  . .  5.600 4.422 4.312 4.551     .  0 0 "[    .    1    .    2]" 1 
       1158 1  86 VAL HA   1  86 VAL MG1  . .  3.200 2.422 2.331 2.484     .  0 0 "[    .    1    .    2]" 1 
       1159 1  86 VAL HA   1  86 VAL MG2  . .  3.000 2.400 2.288 2.448     .  0 0 "[    .    1    .    2]" 1 
       1160 1  86 VAL HA   1  97 LEU MD1  . .  6.400 4.711 4.531 4.867     .  0 0 "[    .    1    .    2]" 1 
       1161 1  86 VAL HB   1  87 ALA H    . .  2.800 2.425 2.367 2.472     .  0 0 "[    .    1    .    2]" 1 
       1162 1  86 VAL HB   1  87 ALA MB   . .  4.900 3.768 3.659 3.878     .  0 0 "[    .    1    .    2]" 1 
       1163 1  86 VAL HB   1  88 GLY H    . .  4.700 4.622 4.453 4.722 0.022 20 0 "[    .    1    .    2]" 1 
       1164 1  86 VAL HB   1  97 LEU MD1  . .  3.500 2.676 2.514 2.808     .  0 0 "[    .    1    .    2]" 1 
       1165 1  86 VAL HB   1  98 THR MG   . .  6.000 4.876 4.783 4.963     .  0 0 "[    .    1    .    2]" 1 
       1166 1  86 VAL MG1  1  87 ALA H    . .  4.100 3.318 3.242 3.389     .  0 0 "[    .    1    .    2]" 1 
       1167 1  86 VAL MG1  1  87 ALA HA   . .  4.800 3.483 3.370 3.642     .  0 0 "[    .    1    .    2]" 1 
       1168 1  86 VAL MG1  1  93 LYS QE   . .  9.000 4.829 3.705 5.993     .  0 0 "[    .    1    .    2]" 1 
       1169 1  86 VAL MG1  1  97 LEU MD1  . .  4.200 2.293 2.033 2.459     .  0 0 "[    .    1    .    2]" 1 
       1170 1  87 ALA H    1  87 ALA MB   . .  3.000 2.083 1.941 2.174     .  0 0 "[    .    1    .    2]" 1 
       1171 1  87 ALA H    1  88 GLY H    . .  3.100 2.571 2.515 2.605     .  0 0 "[    .    1    .    2]" 1 
       1172 1  87 ALA H    1  98 THR MG   . .  5.200 3.852 3.764 3.916     .  0 0 "[    .    1    .    2]" 1 
       1173 1  87 ALA HA   1  93 LYS HB2  . .  3.100 2.658 2.473 2.825     .  0 0 "[    .    1    .    2]" 1 
       1174 1  87 ALA HA   1  93 LYS HB3  . .  2.900 2.688 2.314 2.920 0.020 17 0 "[    .    1    .    2]" 1 
       1175 1  87 ALA HA   1  93 LYS QG   . .  6.500 4.001 3.245 4.398     .  0 0 "[    .    1    .    2]" 1 
       1176 1  87 ALA HA   1  94 LYS H    . .  6.300 4.579 4.184 4.982     .  0 0 "[    .    1    .    2]" 1 
       1177 1  87 ALA HA   1  97 LEU MD1  . .  4.600 3.047 2.874 3.312     .  0 0 "[    .    1    .    2]" 1 
       1178 1  87 ALA MB   1  88 GLY H    . .  4.100 2.886 2.637 3.278     .  0 0 "[    .    1    .    2]" 1 
       1179 1  87 ALA MB   1  89 ALA HA   . .  8.000 5.235 4.577 6.030     .  0 0 "[    .    1    .    2]" 1 
       1180 1  87 ALA MB   1  90 ASP HB2  . .  5.800 4.423 3.899 4.694     .  0 0 "[    .    1    .    2]" 1 
       1181 1  87 ALA MB   1  91 ALA HA   . .  6.300 4.952 4.343 5.133     .  0 0 "[    .    1    .    2]" 1 
       1182 1  87 ALA MB   1  93 LYS HA   . .  5.300 3.860 3.528 4.109     .  0 0 "[    .    1    .    2]" 1 
       1183 1  87 ALA MB   1  93 LYS HB2  . .  3.900 2.553 2.254 2.767     .  0 0 "[    .    1    .    2]" 1 
       1184 1  87 ALA MB   1  93 LYS HB3  . .  3.400 2.295 1.877 2.695     .  0 0 "[    .    1    .    2]" 1 
       1185 1  87 ALA MB   1  93 LYS QD   . .  5.600 3.703 3.186 4.040     .  0 0 "[    .    1    .    2]" 1 
       1186 1  87 ALA MB   1  93 LYS QE   . .  9.000 5.118 3.530 5.654     .  0 0 "[    .    1    .    2]" 1 
       1187 1  87 ALA MB   1  94 LYS H    . .  4.100 2.691 2.336 2.979     .  0 0 "[    .    1    .    2]" 1 
       1188 1  87 ALA MB   1  94 LYS HA   . .  3.000 2.332 2.032 2.604     .  0 0 "[    .    1    .    2]" 1 
       1189 1  87 ALA MB   1  94 LYS QE   . .  9.000 4.544 2.899 5.595     .  0 0 "[    .    1    .    2]" 1 
       1190 1  87 ALA MB   1  97 LEU MD1  . .  4.300 2.266 1.956 2.612     .  0 0 "[    .    1    .    2]" 1 
       1191 1  87 ALA MB   1  97 LEU MD2  . .  6.600 4.331 4.200 4.442     .  0 0 "[    .    1    .    2]" 1 
       1192 1  87 ALA MB   1  98 THR H    . .  7.500 3.831 3.713 3.998     .  0 0 "[    .    1    .    2]" 1 
       1193 1  87 ALA MB   1  98 THR HA   . .  7.800 5.493 5.423 5.531     .  0 0 "[    .    1    .    2]" 1 
       1194 1  87 ALA MB   1  98 THR HB   . .  7.900 5.042 4.970 5.091     .  0 0 "[    .    1    .    2]" 1 
       1195 1  87 ALA MB   1  98 THR MG   . .  5.000 2.571 2.517 2.648     .  0 0 "[    .    1    .    2]" 1 
       1196 1  88 GLY HA3  1  90 ASP HB2  . .  5.400 5.082 4.525 5.416 0.016  5 0 "[    .    1    .    2]" 1 
       1197 1  89 ALA HA   1  90 ASP HB2  . .  5.500 4.947 4.541 5.430     .  0 0 "[    .    1    .    2]" 1 
       1198 1  89 ALA HA   1  94 LYS QE   . .  6.000 4.615 3.631 5.217     .  0 0 "[    .    1    .    2]" 1 
       1199 1  89 ALA MB   1  90 ASP HA   . .  5.100 4.189 4.093 4.260     .  0 0 "[    .    1    .    2]" 1 
       1200 1  90 ASP H    1  90 ASP HB2  . .  3.200 2.913 2.500 3.213 0.013  6 0 "[    .    1    .    2]" 1 
       1201 1  90 ASP H    1  90 ASP HB3  . .  3.200 2.758 2.352 3.193     .  0 0 "[    .    1    .    2]" 1 
       1202 1  90 ASP H    1  94 LYS H    . .  5.100 4.307 3.766 5.117 0.017 17 0 "[    .    1    .    2]" 1 
       1203 1  90 ASP HA   1  90 ASP HB2  . .  2.600 2.576 2.406 2.716 0.116 20 0 "[    .    1    .    2]" 1 
       1204 1  90 ASP HA   1  90 ASP HB3  . .  3.000 3.040 3.009 3.055 0.055 18 0 "[    .    1    .    2]" 1 
       1205 1  90 ASP HA   1  91 ALA HA   . .  5.300 5.050 4.518 5.365 0.065 13 0 "[    .    1    .    2]" 1 
       1206 1  90 ASP HA   1  91 ALA MB   . .  5.600 3.896 3.744 4.058     .  0 0 "[    .    1    .    2]" 1 
       1207 1  90 ASP HB2  1  93 LYS H    . .  5.100 4.573 4.141 5.134 0.034 20 0 "[    .    1    .    2]" 1 
       1208 1  90 ASP HB2  1  93 LYS HB2  . .  3.900 3.657 3.142 3.933 0.033 19 0 "[    .    1    .    2]" 1 
       1209 1  90 ASP HB2  1  94 LYS H    . .  7.000 5.189 4.987 5.520     .  0 0 "[    .    1    .    2]" 1 
       1210 1  90 ASP HB3  1  93 LYS H    . .  4.700 3.051 2.697 3.488     .  0 0 "[    .    1    .    2]" 1 
       1211 1  91 ALA HA   1  93 LYS H    . .  5.600 4.366 3.660 4.892     .  0 0 "[    .    1    .    2]" 1 
       1212 1  91 ALA HA   1  94 LYS H    . .  4.100 3.279 2.726 3.573     .  0 0 "[    .    1    .    2]" 1 
       1213 1  91 ALA HA   1  94 LYS QB   . .  4.400 2.521 1.918 3.754     .  0 0 "[    .    1    .    2]" 1 
       1214 1  91 ALA HA   1  94 LYS QE   . .  6.200 4.572 2.313 5.587     .  0 0 "[    .    1    .    2]" 1 
       1215 1  91 ALA HA   1  95 LYS H    . .  4.800 4.558 3.733 4.874 0.074 17 0 "[    .    1    .    2]" 1 
       1216 1  92 ALA HA   1  95 LYS HB2  . .  3.800 3.398 2.737 3.825 0.025 12 0 "[    .    1    .    2]" 1 
       1217 1  92 ALA HA   1  96 ASP H    . .  5.300 4.807 4.585 5.063     .  0 0 "[    .    1    .    2]" 1 
       1218 1  92 ALA MB   1  93 LYS H    . .  3.700 2.425 2.141 2.976     .  0 0 "[    .    1    .    2]" 1 
       1219 1  92 ALA MB   1  94 LYS H    . .  5.800 4.311 4.098 4.626     .  0 0 "[    .    1    .    2]" 1 
       1220 1  93 LYS H    1  93 LYS HB2  . .  3.100 2.299 2.217 2.388     .  0 0 "[    .    1    .    2]" 1 
       1221 1  93 LYS H    1  93 LYS HB3  . .  3.700 3.521 3.486 3.604     .  0 0 "[    .    1    .    2]" 1 
       1222 1  93 LYS H    1  94 LYS H    . .  3.100 2.527 2.075 2.620     .  0 0 "[    .    1    .    2]" 1 
       1223 1  93 LYS H    1  94 LYS HA   . .  7.000 5.097 4.719 5.182     .  0 0 "[    .    1    .    2]" 1 
       1224 1  93 LYS HA   1  93 LYS HB3  . .  2.500 2.564 2.507 2.619 0.119 12 0 "[    .    1    .    2]" 1 
       1225 1  93 LYS HA   1  95 LYS H    . .  5.700 3.426 3.351 3.517     .  0 0 "[    .    1    .    2]" 1 
       1226 1  93 LYS HA   1  96 ASP H    . .  3.600 2.816 2.610 3.057     .  0 0 "[    .    1    .    2]" 1 
       1227 1  93 LYS HA   1  96 ASP HB2  . .  2.900 2.418 2.042 2.925 0.025 13 0 "[    .    1    .    2]" 1 
       1228 1  93 LYS HA   1  96 ASP HB3  . .  4.000 3.256 2.831 3.772     .  0 0 "[    .    1    .    2]" 1 
       1229 1  93 LYS HB2  1  94 LYS H    . .  3.500 2.909 2.685 3.063     .  0 0 "[    .    1    .    2]" 1 
       1230 1  93 LYS HB2  1  94 LYS HA   . .  5.400 4.551 4.424 4.689     .  0 0 "[    .    1    .    2]" 1 
       1231 1  93 LYS HB2  1  97 LEU HB2  . .  4.500 4.599 4.563 4.627 0.127  9 0 "[    .    1    .    2]" 1 
       1232 1  93 LYS HB2  1  97 LEU MD1  . .  6.000 3.724 3.393 4.089     .  0 0 "[    .    1    .    2]" 1 
       1233 1  93 LYS HB3  1  94 LYS H    . .  3.600 3.741 3.669 3.792 0.192 10 0 "[    .    1    .    2]" 1 
       1234 1  93 LYS HB3  1  97 LEU MD1  . .  3.700 2.341 2.030 2.697     .  0 0 "[    .    1    .    2]" 1 
       1235 1  93 LYS HB3  1  97 LEU MD2  . .  6.700 4.195 3.947 4.498     .  0 0 "[    .    1    .    2]" 1 
       1236 1  93 LYS QD   1  97 LEU MD2  . .  7.700 3.908 2.983 4.631     .  0 0 "[    .    1    .    2]" 1 
       1237 1  93 LYS QE   1  97 LEU MD1  . .  6.600 4.146 3.530 4.640     .  0 0 "[    .    1    .    2]" 1 
       1238 1  94 LYS H    1  94 LYS QB   . .  3.800 2.115 1.997 2.292     .  0 0 "[    .    1    .    2]" 1 
       1239 1  94 LYS H    1  94 LYS QD   . .  4.900 4.045 3.006 4.437     .  0 0 "[    .    1    .    2]" 1 
       1240 1  94 LYS H    1  96 ASP H    . .  6.600 3.893 3.762 4.031     .  0 0 "[    .    1    .    2]" 1 
       1241 1  94 LYS H    1  97 LEU H    . .  5.300 4.658 4.467 4.784     .  0 0 "[    .    1    .    2]" 1 
       1242 1  94 LYS H    1  97 LEU MD1  . .  8.000 5.147 4.785 5.656     .  0 0 "[    .    1    .    2]" 1 
       1243 1  94 LYS HA   1  97 LEU H    . .  4.600 3.504 3.140 3.784     .  0 0 "[    .    1    .    2]" 1 
       1244 1  94 LYS HA   1  98 THR H    . .  3.800 2.785 2.175 3.257     .  0 0 "[    .    1    .    2]" 1 
       1245 1  94 LYS HA   1  98 THR HA   . .  6.800 5.192 4.689 5.495     .  0 0 "[    .    1    .    2]" 1 
       1246 1  94 LYS HA   1  98 THR MG   . .  4.100 2.650 2.289 2.927     .  0 0 "[    .    1    .    2]" 1 
       1247 1  94 LYS QG   1  98 THR MG   . .  7.400 3.098 2.071 4.624     .  0 0 "[    .    1    .    2]" 1 
       1248 1  95 LYS HA   1  95 LYS HB2  . .  2.800 2.748 2.699 2.788     .  0 0 "[    .    1    .    2]" 1 
       1249 1  95 LYS HA   1  95 LYS HG2  . .  2.900 2.870 2.811 2.940 0.040 10 0 "[    .    1    .    2]" 1 
       1250 1  95 LYS HA   1  95 LYS HG3  . .  3.400 2.078 2.059 2.095     .  0 0 "[    .    1    .    2]" 1 
       1251 1  95 LYS HA   1  98 THR HA   . .  7.000 5.836 5.441 6.167     .  0 0 "[    .    1    .    2]" 1 
       1252 1  95 LYS HA   1  99 GLY H    . .  3.600 3.209 3.134 3.370     .  0 0 "[    .    1    .    2]" 1 
       1253 1  95 LYS HA   1  99 GLY HA2  . .  4.000 2.499 2.215 2.843     .  0 0 "[    .    1    .    2]" 1 
       1254 1  95 LYS HA   1  99 GLY HA3  . .  4.900 2.635 2.606 2.661     .  0 0 "[    .    1    .    2]" 1 
       1255 1  95 LYS HA   1 103 SER HA   . .  6.000 5.420 5.176 5.699     .  0 0 "[    .    1    .    2]" 1 
       1256 1  95 LYS HB2  1  99 GLY H    . .  5.700 5.744 5.722 5.785 0.085 12 0 "[    .    1    .    2]" 1 
       1257 1  95 LYS QD   1 103 SER HA   . .  7.400 6.651 6.606 6.677     .  0 0 "[    .    1    .    2]" 1 
       1258 1  95 LYS HG2  1 103 SER HA   . .  5.700 5.279 5.193 5.347     .  0 0 "[    .    1    .    2]" 1 
       1259 1  95 LYS HG3  1 103 SER HA   . .  6.300 6.342 6.320 6.366 0.066 10 0 "[    .    1    .    2]" 1 
       1260 1  96 ASP H    1  96 ASP HB2  . .  2.800 2.349 2.275 2.425     .  0 0 "[    .    1    .    2]" 1 
       1261 1  96 ASP H    1  96 ASP HB3  . .  3.300 3.301 3.244 3.324 0.024 19 0 "[    .    1    .    2]" 1 
       1262 1  96 ASP H    1  97 LEU H    . .  3.200 1.949 1.862 2.056     .  0 0 "[    .    1    .    2]" 1 
       1263 1  96 ASP H    1  97 LEU HB2  . .  5.500 3.877 3.747 4.063     .  0 0 "[    .    1    .    2]" 1 
       1264 1  96 ASP H    1  97 LEU HB3  . .  6.000 5.324 5.224 5.451     .  0 0 "[    .    1    .    2]" 1 
       1265 1  96 ASP H    1  97 LEU MD2  . .  6.400 4.558 4.360 4.890     .  0 0 "[    .    1    .    2]" 1 
       1266 1  96 ASP H    1  97 LEU HG   . .  6.400 3.924 3.666 4.331     .  0 0 "[    .    1    .    2]" 1 
       1267 1  96 ASP H    1  99 GLY H    . .  5.300 3.786 3.305 3.925     .  0 0 "[    .    1    .    2]" 1 
       1268 1  96 ASP H    1 103 SER HA   . .  6.600 5.104 4.763 5.439     .  0 0 "[    .    1    .    2]" 1 
       1269 1  96 ASP H    1 104 LYS H    . .  7.000 5.163 4.945 5.373     .  0 0 "[    .    1    .    2]" 1 
       1270 1  96 ASP HA   1  96 ASP HB2  . .  3.000 2.919 2.897 2.935     .  0 0 "[    .    1    .    2]" 1 
       1271 1  96 ASP HA   1  96 ASP HB3  . .  2.900 2.857 2.837 2.880     .  0 0 "[    .    1    .    2]" 1 
       1272 1  96 ASP HA   1  97 LEU HA   . .  5.200 4.548 4.509 4.684     .  0 0 "[    .    1    .    2]" 1 
       1273 1  96 ASP HA   1  97 LEU HB3  . .  7.000 6.479 6.416 6.645     .  0 0 "[    .    1    .    2]" 1 
       1274 1  96 ASP HA   1  97 LEU MD2  . .  7.300 4.560 4.465 4.875     .  0 0 "[    .    1    .    2]" 1 
       1275 1  96 ASP HA   1  98 THR H    . .  5.300 4.908 4.477 5.105     .  0 0 "[    .    1    .    2]" 1 
       1276 1  96 ASP HA   1 103 SER HA   . .  2.800 2.388 1.990 2.723     .  0 0 "[    .    1    .    2]" 1 
       1277 1  96 ASP HA   1 104 LYS H    . .  3.200 2.707 2.439 2.886     .  0 0 "[    .    1    .    2]" 1 
       1278 1  96 ASP HA   1 104 LYS HG2  . .  3.600 3.283 2.913 3.623 0.023  9 0 "[    .    1    .    2]" 1 
       1279 1  96 ASP HA   1 105 CYS H    . .  5.100 4.920 4.646 5.110 0.010  6 0 "[    .    1    .    2]" 1 
       1280 1  96 ASP HB3  1  97 LEU MD1  . .  6.700 4.791 4.627 4.971     .  0 0 "[    .    1    .    2]" 1 
       1281 1  96 ASP HB3  1  97 LEU MD2  . .  4.900 3.061 2.977 3.281     .  0 0 "[    .    1    .    2]" 1 
       1282 1  96 ASP HB3  1  97 LEU HG   . .  4.200 3.383 3.149 3.609     .  0 0 "[    .    1    .    2]" 1 
       1283 1  96 ASP HB3  1 103 SER HA   . .  5.500 4.924 4.482 5.323     .  0 0 "[    .    1    .    2]" 1 
       1284 1  96 ASP HB3  1 104 LYS H    . .  5.500 4.082 3.677 4.435     .  0 0 "[    .    1    .    2]" 1 
       1285 1  96 ASP HB3  1 104 LYS HE2  . .  4.200 3.767 3.223 4.220 0.020  9 0 "[    .    1    .    2]" 1 
       1286 1  96 ASP HB3  1 104 LYS HG2  . .  4.200 2.966 2.291 3.414     .  0 0 "[    .    1    .    2]" 1 
       1287 1  97 LEU H    1  97 LEU HA   . .  2.900 2.934 2.897 2.939 0.039 18 0 "[    .    1    .    2]" 1 
       1288 1  97 LEU H    1  97 LEU HB2  . .  3.100 2.515 2.304 2.608     .  0 0 "[    .    1    .    2]" 1 
       1289 1  97 LEU H    1  97 LEU MD2  . .  4.500 3.677 3.466 3.737     .  0 0 "[    .    1    .    2]" 1 
       1290 1  97 LEU H    1  98 THR H    . .  2.900 1.971 1.890 2.233     .  0 0 "[    .    1    .    2]" 1 
       1291 1  97 LEU H    1  99 GLY H    . .  4.000 2.746 2.460 3.367     .  0 0 "[    .    1    .    2]" 1 
       1292 1  97 LEU HA   1  97 LEU MD2  . .  3.000 1.919 1.878 1.988     .  0 0 "[    .    1    .    2]" 1 
       1293 1  97 LEU HA   1  97 LEU HG   . .  3.400 3.182 3.098 3.216     .  0 0 "[    .    1    .    2]" 1 
       1294 1  97 LEU HA   1  98 THR HA   . .  5.600 4.544 4.518 4.560     .  0 0 "[    .    1    .    2]" 1 
       1295 1  97 LEU HA   1  98 THR MG   . .  6.000 4.117 4.013 4.241     .  0 0 "[    .    1    .    2]" 1 
       1296 1  97 LEU HA   1  99 GLY H    . .  5.000 4.146 3.992 4.271     .  0 0 "[    .    1    .    2]" 1 
       1297 1  97 LEU HB2  1  98 THR H    . .  3.700 2.727 2.574 3.044     .  0 0 "[    .    1    .    2]" 1 
       1298 1  97 LEU HB2  1  98 THR MG   . .  4.700 2.566 2.499 2.677     .  0 0 "[    .    1    .    2]" 1 
       1299 1  97 LEU HB3  1  98 THR H    . .  4.000 3.599 3.380 3.924     .  0 0 "[    .    1    .    2]" 1 
       1300 1  97 LEU HB3  1  98 THR HA   . .  5.400 4.627 4.507 4.783     .  0 0 "[    .    1    .    2]" 1 
       1301 1  97 LEU HB3  1  99 GLY H    . .  7.000 5.256 5.101 5.493     .  0 0 "[    .    1    .    2]" 1 
       1302 1  97 LEU MD2  1  98 THR H    . .  6.500 4.614 4.579 4.693     .  0 0 "[    .    1    .    2]" 1 
       1303 1  97 LEU MD2  1  98 THR HA   . .  7.800 5.596 5.526 5.658     .  0 0 "[    .    1    .    2]" 1 
       1304 1  97 LEU MD2  1  98 THR MG   . .  7.700 4.475 4.411 4.524     .  0 0 "[    .    1    .    2]" 1 
       1305 1  97 LEU MD2  1 103 SER HA   . .  8.000 6.158 5.782 6.490     .  0 0 "[    .    1    .    2]" 1 
       1306 1  97 LEU MD2  1 104 LYS HA   . .  8.000 5.421 5.119 5.625     .  0 0 "[    .    1    .    2]" 1 
       1307 1  97 LEU MD2  1 104 LYS HB2  . .  5.300 3.054 2.772 3.207     .  0 0 "[    .    1    .    2]" 1 
       1308 1  97 LEU MD2  1 104 LYS HB3  . .  5.400 3.958 3.739 4.131     .  0 0 "[    .    1    .    2]" 1 
       1309 1  97 LEU MD2  1 104 LYS HD2  . .  6.300 4.685 4.246 4.986     .  0 0 "[    .    1    .    2]" 1 
       1310 1  97 LEU MD2  1 104 LYS HE3  . .  6.700 4.827 4.233 5.216     .  0 0 "[    .    1    .    2]" 1 
       1311 1  97 LEU MD2  1 104 LYS HG2  . .  6.300 3.967 3.588 4.304     .  0 0 "[    .    1    .    2]" 1 
       1312 1  97 LEU MD2  1 105 CYS H    . .  8.000 5.190 5.061 5.311     .  0 0 "[    .    1    .    2]" 1 
       1313 1  98 THR H    1  98 THR MG   . .  4.200 2.274 2.147 2.450     .  0 0 "[    .    1    .    2]" 1 
       1314 1  98 THR H    1  99 GLY H    . .  2.700 2.242 2.074 2.443     .  0 0 "[    .    1    .    2]" 1 
       1315 1  98 THR HA   1  98 THR HB   . .  2.400 2.417 2.402 2.434 0.034  4 0 "[    .    1    .    2]" 1 
       1316 1  98 THR HA   1  98 THR MG   . .  3.200 2.624 2.585 2.656     .  0 0 "[    .    1    .    2]" 1 
       1317 1  98 THR HA   1  99 GLY HA3  . .  7.000 5.027 4.973 5.076     .  0 0 "[    .    1    .    2]" 1 
       1318 1  98 THR HA   1 103 SER HG   . .  7.000 6.831 6.681 6.937     .  0 0 "[    .    1    .    2]" 1 
       1319 1  98 THR HA   1 105 CYS HB2  . .  6.600 5.718 5.516 5.952     .  0 0 "[    .    1    .    2]" 1 
       1320 1  98 THR MG   1  99 GLY H    . .  6.200 4.062 3.983 4.148     .  0 0 "[    .    1    .    2]" 1 
       1321 1  99 GLY H    1 100 CYS H    . .  5.600 4.661 4.644 4.670     .  0 0 "[    .    1    .    2]" 1 
       1322 1  99 GLY H    1 103 SER HA   . .  5.800 4.895 4.722 5.041     .  0 0 "[    .    1    .    2]" 1 
       1323 1  99 GLY H    1 103 SER HB3  . .  4.100 2.881 2.720 3.034     .  0 0 "[    .    1    .    2]" 1 
       1324 1  99 GLY H    1 103 SER HG   . .  5.300 5.066 4.823 5.279     .  0 0 "[    .    1    .    2]" 1 
       1325 1  99 GLY H    1 104 LYS H    . .  6.800 4.611 4.482 4.745     .  0 0 "[    .    1    .    2]" 1 
       1326 1  99 GLY HA3  1 103 SER HA   . .  7.000 4.043 4.010 4.071     .  0 0 "[    .    1    .    2]" 1 
       1327 1  99 GLY HA3  1 103 SER HG   . .  5.100 4.237 4.016 4.637     .  0 0 "[    .    1    .    2]" 1 
       1328 1 100 CYS H    1 101 LYS HA   . .  7.000 4.852 4.604 4.974     .  0 0 "[    .    1    .    2]" 1 
       1329 1 100 CYS HA   1 106 HIS QB   . .  6.500 4.092 3.866 4.304     .  0 0 "[    .    1    .    2]" 1 
       1330 1 100 CYS HA   1 106 HIS HD2  . .  3.600 3.310 3.132 3.499     .  0 0 "[    .    1    .    2]" 1 
       1331 1 101 LYS HA   1 101 LYS HB2  . .  2.800 2.470 2.361 2.643     .  0 0 "[    .    1    .    2]" 1 
       1332 1 101 LYS HA   1 101 LYS HG2  . .  2.700 2.613 2.365 2.729 0.029 12 0 "[    .    1    .    2]" 1 
       1333 1 101 LYS HA   1 101 LYS HG3  . .  3.600 2.983 2.342 3.601 0.001 20 0 "[    .    1    .    2]" 1 
       1334 1 101 LYS HA   1 102 LYS H    . .  3.000 2.252 2.214 2.325     .  0 0 "[    .    1    .    2]" 1 
       1335 1 101 LYS HA   1 103 SER H    . .  4.000 3.705 3.427 3.912     .  0 0 "[    .    1    .    2]" 1 
       1336 1 101 LYS HA   1 106 HIS H    . .  6.700 5.110 4.875 5.351     .  0 0 "[    .    1    .    2]" 1 
       1337 1 101 LYS HA   1 106 HIS HD1  . .  7.000 6.386 6.059 6.688     .  0 0 "[    .    1    .    2]" 1 
       1338 1 101 LYS HA   1 106 HIS HD2  . .  5.900 5.116 4.888 5.355     .  0 0 "[    .    1    .    2]" 1 
       1339 1 101 LYS HB2  1 102 LYS H    . .  4.200 4.183 4.090 4.245 0.045  9 0 "[    .    1    .    2]" 1 
       1340 1 101 LYS HG2  1 102 LYS H    . .  4.200 2.316 2.278 2.432     .  0 0 "[    .    1    .    2]" 1 
       1341 1 101 LYS HG2  1 102 LYS HA   . .  4.000 3.815 3.653 4.004 0.004  2 0 "[    .    1    .    2]" 1 
       1342 1 101 LYS HG3  1 102 LYS H    . .  5.000 3.560 3.164 4.148     .  0 0 "[    .    1    .    2]" 1 
       1343 1 102 LYS H    1 102 LYS HA   . .  2.900 2.213 2.207 2.232     .  0 0 "[    .    1    .    2]" 1 
       1344 1 102 LYS H    1 102 LYS QG   . .  4.900 3.417 2.634 4.129     .  0 0 "[    .    1    .    2]" 1 
       1345 1 102 LYS H    1 107 GLU HA   . .  3.400 2.854 2.027 3.200     .  0 0 "[    .    1    .    2]" 1 
       1346 1 102 LYS HA   1 102 LYS QD   . .  4.900 3.569 2.275 4.089     .  0 0 "[    .    1    .    2]" 1 
       1347 1 102 LYS HA   1 102 LYS QG   . .  4.000 2.195 1.940 2.747     .  0 0 "[    .    1    .    2]" 1 
       1348 1 102 LYS HA   1 103 SER H    . .  3.200 2.759 2.683 2.864     .  0 0 "[    .    1    .    2]" 1 
       1349 1 102 LYS HA   1 103 SER HA   . .  7.000 4.385 4.348 4.430     .  0 0 "[    .    1    .    2]" 1 
       1350 1 102 LYS HA   1 107 GLU H    . .  7.000 5.400 5.156 5.584     .  0 0 "[    .    1    .    2]" 1 
       1351 1 102 LYS HA   1 107 GLU HA   . .  3.600 2.669 2.340 2.856     .  0 0 "[    .    1    .    2]" 1 
       1352 1 102 LYS HA   1 107 GLU QG   . .  6.700 4.251 2.679 5.758     .  0 0 "[    .    1    .    2]" 1 
       1353 1 102 LYS QB   1 103 SER HA   . .  7.900 4.378 4.297 4.631     .  0 0 "[    .    1    .    2]" 1 
       1354 1 102 LYS QB   1 107 GLU HA   . .  6.500 4.744 4.206 4.971     .  0 0 "[    .    1    .    2]" 1 
       1355 1 102 LYS QG   1 103 SER HA   . .  8.000 5.294 4.166 6.024     .  0 0 "[    .    1    .    2]" 1 
       1356 1 102 LYS QG   1 107 GLU HA   . .  6.600 4.125 3.825 4.488     .  0 0 "[    .    1    .    2]" 1 
       1357 1 103 SER H    1 103 SER HB3  . .  4.000 3.507 3.371 3.603     .  0 0 "[    .    1    .    2]" 1 
       1358 1 103 SER H    1 103 SER HG   . .  3.800 2.104 2.063 2.173     .  0 0 "[    .    1    .    2]" 1 
       1359 1 103 SER H    1 104 LYS H    . .  5.000 4.381 4.355 4.393     .  0 0 "[    .    1    .    2]" 1 
       1360 1 103 SER H    1 105 CYS H    . .  5.000 4.488 4.383 4.593     .  0 0 "[    .    1    .    2]" 1 
       1361 1 103 SER H    1 106 HIS H    . .  4.000 3.631 3.509 3.824     .  0 0 "[    .    1    .    2]" 1 
       1362 1 103 SER H    1 106 HIS QB   . .  5.700 3.565 3.420 3.724     .  0 0 "[    .    1    .    2]" 1 
       1363 1 103 SER H    1 107 GLU HA   . .  3.600 2.947 2.728 3.115     .  0 0 "[    .    1    .    2]" 1 
       1364 1 103 SER HA   1 103 SER HB2  . .  2.700 2.752 2.642 2.790 0.090  4 0 "[    .    1    .    2]" 1 
       1365 1 103 SER HA   1 103 SER HB3  . .  2.700 2.276 2.263 2.329     .  0 0 "[    .    1    .    2]" 1 
       1366 1 103 SER HA   1 103 SER HG   . .  3.800 3.612 3.526 3.662     .  0 0 "[    .    1    .    2]" 1 
       1367 1 103 SER HA   1 104 LYS H    . .  2.900 2.780 2.756 2.806     .  0 0 "[    .    1    .    2]" 1 
       1368 1 103 SER HA   1 104 LYS HB2  . .  5.400 5.052 4.909 5.177     .  0 0 "[    .    1    .    2]" 1 
       1369 1 103 SER HA   1 104 LYS HB3  . .  7.000 5.987 5.963 6.008     .  0 0 "[    .    1    .    2]" 1 
       1370 1 103 SER HA   1 104 LYS HG2  . .  4.300 3.888 3.682 4.148     .  0 0 "[    .    1    .    2]" 1 
       1371 1 103 SER HA   1 105 CYS H    . .  4.400 4.423 4.380 4.451 0.051  3 0 "[    .    1    .    2]" 1 
       1372 1 103 SER HA   1 106 HIS H    . .  5.900 5.123 5.037 5.262     .  0 0 "[    .    1    .    2]" 1 
       1373 1 103 SER HA   1 107 GLU HA   . .  6.400 5.386 5.254 5.567     .  0 0 "[    .    1    .    2]" 1 
       1374 1 103 SER HB2  1 103 SER HG   . .  2.600 2.401 2.345 2.533     .  0 0 "[    .    1    .    2]" 1 
       1375 1 103 SER HB2  1 104 LYS H    . .  3.000 1.968 1.946 1.997     .  0 0 "[    .    1    .    2]" 1 
       1376 1 103 SER HB2  1 105 CYS H    . .  3.700 2.273 2.214 2.434     .  0 0 "[    .    1    .    2]" 1 
       1377 1 103 SER HB2  1 106 HIS H    . .  4.700 3.233 3.149 3.564     .  0 0 "[    .    1    .    2]" 1 
       1378 1 103 SER HB3  1 104 LYS H    . .  3.400 3.095 2.993 3.328     .  0 0 "[    .    1    .    2]" 1 
       1379 1 103 SER HB3  1 105 CYS H    . .  4.500 4.019 3.965 4.099     .  0 0 "[    .    1    .    2]" 1 
       1380 1 103 SER HB3  1 106 HIS H    . .  5.600 4.438 4.371 4.522     .  0 0 "[    .    1    .    2]" 1 
       1381 1 103 SER HG   1 104 LYS H    . .  4.300 3.968 3.784 4.026     .  0 0 "[    .    1    .    2]" 1 
       1382 1 103 SER HG   1 105 CYS H    . .  3.800 3.268 3.006 3.379     .  0 0 "[    .    1    .    2]" 1 
       1383 1 103 SER HG   1 106 HIS H    . .  3.400 2.000 1.975 2.072     .  0 0 "[    .    1    .    2]" 1 
       1384 1 104 LYS H    1 104 LYS HB2  . .  3.000 2.340 2.212 2.456     .  0 0 "[    .    1    .    2]" 1 
       1385 1 104 LYS H    1 104 LYS HB3  . .  3.600 3.539 3.489 3.563     .  0 0 "[    .    1    .    2]" 1 
       1386 1 104 LYS H    1 104 LYS HD2  . .  5.300 4.692 4.414 5.249     .  0 0 "[    .    1    .    2]" 1 
       1387 1 104 LYS H    1 104 LYS HD3  . .  5.500 4.468 4.081 4.709     .  0 0 "[    .    1    .    2]" 1 
       1388 1 104 LYS H    1 104 LYS HE2  . .  7.000 5.369 4.544 5.611     .  0 0 "[    .    1    .    2]" 1 
       1389 1 104 LYS H    1 104 LYS HG2  . .  3.100 2.515 2.223 2.785     .  0 0 "[    .    1    .    2]" 1 
       1390 1 104 LYS H    1 104 LYS HG3  . .  4.100 3.388 3.207 3.666     .  0 0 "[    .    1    .    2]" 1 
       1391 1 104 LYS H    1 105 CYS H    . .  3.000 2.426 2.412 2.433     .  0 0 "[    .    1    .    2]" 1 
       1392 1 104 LYS H    1 105 CYS HA   . .  7.000 5.017 5.000 5.025     .  0 0 "[    .    1    .    2]" 1 
       1393 1 104 LYS H    1 106 HIS H    . .  5.000 4.440 4.354 4.581     .  0 0 "[    .    1    .    2]" 1 
       1394 1 104 LYS HA   1 104 LYS HB3  . .  2.800 2.530 2.462 2.616     .  0 0 "[    .    1    .    2]" 1 
       1395 1 104 LYS HA   1 104 LYS HD2  . .  3.700 2.953 2.452 3.779 0.079  9 0 "[    .    1    .    2]" 1 
       1396 1 104 LYS HA   1 104 LYS HD3  . .  3.200 2.801 2.328 3.034     .  0 0 "[    .    1    .    2]" 1 
       1397 1 104 LYS HA   1 104 LYS HE2  . .  5.300 4.837 2.943 5.068     .  0 0 "[    .    1    .    2]" 1 
       1398 1 104 LYS HA   1 104 LYS HG3  . .  4.000 3.683 3.618 3.761     .  0 0 "[    .    1    .    2]" 1 
       1399 1 104 LYS HA   1 105 CYS H    . .  3.600 3.540 3.531 3.550     .  0 0 "[    .    1    .    2]" 1 
       1400 1 104 LYS HA   1 106 HIS H    . .  5.500 5.304 5.177 5.452     .  0 0 "[    .    1    .    2]" 1 
       1401 1 104 LYS HB2  1 105 CYS H    . .  3.900 3.067 3.029 3.143     .  0 0 "[    .    1    .    2]" 1 
       1402 1 104 LYS HB3  1 105 CYS H    . .  4.300 3.944 3.826 4.036     .  0 0 "[    .    1    .    2]" 1 
       1403 1 104 LYS HG2  1 105 CYS H    . .  6.600 4.561 4.366 4.751     .  0 0 "[    .    1    .    2]" 1 
       1404 1 104 LYS HG2  1 106 HIS H    . .  7.000 6.696 6.488 6.959     .  0 0 "[    .    1    .    2]" 1 
       1405 1 105 CYS H    1 105 CYS HB2  . .  3.200 2.497 2.404 2.639     .  0 0 "[    .    1    .    2]" 1 
       1406 1 105 CYS H    1 106 HIS H    . .  2.600 2.603 2.556 2.674 0.074  8 0 "[    .    1    .    2]" 1 
       1407 1 105 CYS H    1 106 HIS HD2  . .  6.700 5.725 5.581 5.836     .  0 0 "[    .    1    .    2]" 1 
       1408 1 105 CYS HA   1 105 CYS HB3  . .  2.900 2.464 2.392 2.518     .  0 0 "[    .    1    .    2]" 1 
       1409 1 105 CYS HB2  1 106 HIS H    . .  3.200 2.177 2.058 2.281     .  0 0 "[    .    1    .    2]" 1 
       1410 1 106 HIS H    1 106 HIS HD1  . .  5.600 4.410 4.277 4.540     .  0 0 "[    .    1    .    2]" 1 
       1411 1 106 HIS H    1 106 HIS HD2  . .  5.100 3.644 3.534 3.784     .  0 0 "[    .    1    .    2]" 1 
       1412 1 106 HIS H    1 107 GLU H    . .  4.800 4.541 4.476 4.585     .  0 0 "[    .    1    .    2]" 1 
       1413 1 106 HIS H    1 107 GLU QG   . .  7.500 4.879 4.157 6.071     .  0 0 "[    .    1    .    2]" 1 
       1414 1 106 HIS HA   1 106 HIS HD1  . .  2.600 2.446 2.388 2.505     .  0 0 "[    .    1    .    2]" 1 
       1415 1 106 HIS HA   1 106 HIS HD2  . .  4.900 4.666 4.601 4.718     .  0 0 "[    .    1    .    2]" 1 
       1416 1 106 HIS HA   1 106 HIS HE1  . .  5.000 4.753 4.731 4.765     .  0 0 "[    .    1    .    2]" 1 
       1417 1 106 HIS HA   1 107 GLU H    . .  2.300 2.258 2.197 2.317 0.017 18 0 "[    .    1    .    2]" 1 
       1418 1 106 HIS HA   1 107 GLU QG   . .  4.800 3.933 3.698 4.255     .  0 0 "[    .    1    .    2]" 1 
       1419 1 106 HIS QB   1 107 GLU H    . .  6.300 3.017 2.814 3.290     .  0 0 "[    .    1    .    2]" 1 
       1420 1 106 HIS HD1  1 107 GLU H    . .  4.100 4.011 3.926 4.106 0.006  6 0 "[    .    1    .    2]" 1 
       1421 1 107 GLU H    1 107 GLU QB   . .  3.300 2.604 2.330 2.914     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



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