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
547455 2lhh 17849 cing 4-filtered-FRED Wattos check violation distance


data_2lhh


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              2071
    _Distance_constraint_stats_list.Viol_count                    1281
    _Distance_constraint_stats_list.Viol_total                    337.091
    _Distance_constraint_stats_list.Viol_max                      0.311
    _Distance_constraint_stats_list.Viol_rms                      0.0052
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0004
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0132
    _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   3 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1   4 LEU 0.035 0.008  4 0 "[    .    1    .    2]" 
       1   5 THR 0.013 0.009  4 0 "[    .    1    .    2]" 
       1   6 GLU 0.011 0.009  4 0 "[    .    1    .    2]" 
       1   7 GLU 0.674 0.137 13 0 "[    .    1    .    2]" 
       1   8 GLN 0.038 0.016 14 0 "[    .    1    .    2]" 
       1   9 ILE 0.017 0.004 15 0 "[    .    1    .    2]" 
       1  10 ALA 0.004 0.002  8 0 "[    .    1    .    2]" 
       1  11 GLU 0.005 0.003  8 0 "[    .    1    .    2]" 
       1  12 PHE 0.004 0.001 13 0 "[    .    1    .    2]" 
       1  13 LYS 0.005 0.002  8 0 "[    .    1    .    2]" 
       1  14 GLU 0.006 0.003  8 0 "[    .    1    .    2]" 
       1  15 ALA 0.017 0.004  1 0 "[    .    1    .    2]" 
       1  16 PHE 0.019 0.005 12 0 "[    .    1    .    2]" 
       1  17 ALA 0.006 0.003  1 0 "[    .    1    .    2]" 
       1  18 LEU 0.085 0.012 12 0 "[    .    1    .    2]" 
       1  19 PHE 0.188 0.113  8 0 "[    .    1    .    2]" 
       1  20 ASP 0.234 0.113  8 0 "[    .    1    .    2]" 
       1  21 LYS 0.746 0.114 11 0 "[    .    1    .    2]" 
       1  22 ASP 0.179 0.053 11 0 "[    .    1    .    2]" 
       1  23 ASN 0.004 0.004 18 0 "[    .    1    .    2]" 
       1  24 ASN 0.102 0.053 11 0 "[    .    1    .    2]" 
       1  25 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  26 SER 0.085 0.040 11 0 "[    .    1    .    2]" 
       1  27 ILE 0.114 0.011 11 0 "[    .    1    .    2]" 
       1  28 SER 0.027 0.006  1 0 "[    .    1    .    2]" 
       1  29 SER 0.110 0.014  6 0 "[    .    1    .    2]" 
       1  30 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  31 GLU 0.045 0.007  1 0 "[    .    1    .    2]" 
       1  32 LEU 0.184 0.037  1 0 "[    .    1    .    2]" 
       1  33 ALA 0.067 0.019  1 0 "[    .    1    .    2]" 
       1  34 THR 0.067 0.018  4 0 "[    .    1    .    2]" 
       1  35 VAL 0.092 0.019  1 0 "[    .    1    .    2]" 
       1  36 MET 0.074 0.020  1 0 "[    .    1    .    2]" 
       1  37 ARG 0.051 0.011  4 0 "[    .    1    .    2]" 
       1  38 SER 0.039 0.019  1 0 "[    .    1    .    2]" 
       1  39 LEU 0.106 0.020  1 0 "[    .    1    .    2]" 
       1  40 GLY 0.018 0.011  4 0 "[    .    1    .    2]" 
       1  41 LEU 0.143 0.038  4 0 "[    .    1    .    2]" 
       1  42 SER 0.115 0.021  4 0 "[    .    1    .    2]" 
       1  43 PRO 0.316 0.047  4 0 "[    .    1    .    2]" 
       1  44 SER 0.247 0.041 10 0 "[    .    1    .    2]" 
       1  45 GLU 0.197 0.041 10 0 "[    .    1    .    2]" 
       1  46 ALA 0.136 0.028 10 0 "[    .    1    .    2]" 
       1  47 GLU 0.311 0.041  8 0 "[    .    1    .    2]" 
       1  48 VAL 0.354 0.047  4 0 "[    .    1    .    2]" 
       1  49 ASN 0.272 0.041  8 0 "[    .    1    .    2]" 
       1  50 ASP 0.167 0.016 10 0 "[    .    1    .    2]" 
       1  51 LEU 0.111 0.010 13 0 "[    .    1    .    2]" 
       1  52 MET 0.298 0.015 13 0 "[    .    1    .    2]" 
       1  53 ASN 0.993 0.072 13 0 "[    .    1    .    2]" 
       1  54 GLU 1.352 0.292 17 0 "[    .    1    .    2]" 
       1  55 ILE 0.804 0.292 17 0 "[    .    1    .    2]" 
       1  56 ASP 0.034 0.018 17 0 "[    .    1    .    2]" 
       1  57 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  58 ASP 0.036 0.008 15 0 "[    .    1    .    2]" 
       1  59 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  60 ASN 0.044 0.008 15 0 "[    .    1    .    2]" 
       1  61 HIS 0.062 0.024 11 0 "[    .    1    .    2]" 
       1  62 GLN 0.130 0.024 11 0 "[    .    1    .    2]" 
       1  63 ILE 0.061 0.013  8 0 "[    .    1    .    2]" 
       1  64 GLU 0.059 0.013  8 0 "[    .    1    .    2]" 
       1  65 PHE 0.025 0.005  4 0 "[    .    1    .    2]" 
       1  66 SER 0.007 0.003 10 0 "[    .    1    .    2]" 
       1  67 GLU 0.020 0.006 15 0 "[    .    1    .    2]" 
       1  68 PHE 0.037 0.020  4 0 "[    .    1    .    2]" 
       1  69 LEU 0.054 0.020  4 0 "[    .    1    .    2]" 
       1  70 ALA 0.079 0.065  4 0 "[    .    1    .    2]" 
       1  71 LEU 0.624 0.169 13 0 "[    .    1    .    2]" 
       1  72 MET 0.070 0.043 13 0 "[    .    1    .    2]" 
       1  73 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  74 ARG 0.062 0.036  2 0 "[    .    1    .    2]" 
       1  75 GLN 0.043 0.036  2 0 "[    .    1    .    2]" 
       1  77 LYS 0.049 0.020  7 0 "[    .    1    .    2]" 
       1  78 SER 0.022 0.009  8 0 "[    .    1    .    2]" 
       1  79 ASN 0.003 0.002 20 0 "[    .    1    .    2]" 
       1  80 ASP 0.007 0.003 11 0 "[    .    1    .    2]" 
       1  81 SER 0.004 0.003 11 0 "[    .    1    .    2]" 
       1  82 GLU 0.931 0.109 17 0 "[    .    1    .    2]" 
       1  83 GLN 0.913 0.143 15 0 "[    .    1    .    2]" 
       1  84 GLU 0.677 0.130 15 0 "[    .    1    .    2]" 
       1  85 LEU 0.154 0.043  5 0 "[    .    1    .    2]" 
       1  86 LEU 0.332 0.121 14 0 "[    .    1    .    2]" 
       1  87 GLU 0.148 0.121 14 0 "[    .    1    .    2]" 
       1  88 ALA 0.035 0.035 15 0 "[    .    1    .    2]" 
       1  89 PHE 0.030 0.010 14 0 "[    .    1    .    2]" 
       1  90 LYS 0.409 0.064 11 0 "[    .    1    .    2]" 
       1  91 VAL 0.190 0.041  1 0 "[    .    1    .    2]" 
       1  92 PHE 0.020 0.005 19 0 "[    .    1    .    2]" 
       1  93 ASP 0.073 0.024  6 0 "[    .    1    .    2]" 
       1  94 LYS 0.404 0.167 18 0 "[    .    1    .    2]" 
       1  95 ASN 0.053 0.008 15 0 "[    .    1    .    2]" 
       1  96 GLY 0.204 0.028 10 0 "[    .    1    .    2]" 
       1  97 ASP 0.265 0.075 18 0 "[    .    1    .    2]" 
       1  98 GLY 0.474 0.049  4 0 "[    .    1    .    2]" 
       1  99 LEU 0.310 0.049  4 0 "[    .    1    .    2]" 
       1 100 ILE 0.163 0.034  4 0 "[    .    1    .    2]" 
       1 101 SER 0.023 0.014 19 0 "[    .    1    .    2]" 
       1 102 ALA 0.058 0.028 16 0 "[    .    1    .    2]" 
       1 103 ALA 0.064 0.058 16 0 "[    .    1    .    2]" 
       1 104 GLU 0.027 0.007  9 0 "[    .    1    .    2]" 
       1 105 LEU 0.313 0.086  2 0 "[    .    1    .    2]" 
       1 106 LYS 0.475 0.163 16 0 "[    .    1    .    2]" 
       1 107 HIS 0.005 0.005  5 0 "[    .    1    .    2]" 
       1 108 VAL 0.036 0.023 10 0 "[    .    1    .    2]" 
       1 109 LEU 0.055 0.023 10 0 "[    .    1    .    2]" 
       1 110 THR 0.664 0.087 12 0 "[    .    1    .    2]" 
       1 111 SER 0.548 0.069  5 0 "[    .    1    .    2]" 
       1 112 ILE 2.896 0.143  5 0 "[    .    1    .    2]" 
       1 113 GLY 1.879 0.143  5 0 "[    .    1    .    2]" 
       1 114 GLU 0.420 0.166  3 0 "[    .    1    .    2]" 
       1 115 LYS 0.286 0.095  8 0 "[    .    1    .    2]" 
       1 116 LEU 0.765 0.213 18 0 "[    .    1    .    2]" 
       1 117 THR 0.767 0.311 20 0 "[    .    1    .    2]" 
       1 118 ASP 0.018 0.015  3 0 "[    .    1    .    2]" 
       1 119 ALA 0.110 0.040  3 0 "[    .    1    .    2]" 
       1 120 GLU 0.123 0.040  3 0 "[    .    1    .    2]" 
       1 121 LEU 0.418 0.056 14 0 "[    .    1    .    2]" 
       1 122 GLU 0.129 0.056 14 0 "[    .    1    .    2]" 
       1 123 HIS 0.000 0.000  . 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   3 ASN HA   1   4 LEU H    . . 2.770 2.493 2.254 2.763     .  0 0 "[    .    1    .    2]" 1 
          2 1   3 ASN QB   1   4 LEU H    . . 3.820 2.713 2.000 3.494     .  0 0 "[    .    1    .    2]" 1 
          3 1   3 ASN HB2  1   4 LEU H    . . 4.490 3.380 2.015 4.233     .  0 0 "[    .    1    .    2]" 1 
          4 1   3 ASN HB3  1   4 LEU H    . . 4.490 3.167 2.081 4.363     .  0 0 "[    .    1    .    2]" 1 
          5 1   4 LEU H    1   4 LEU QB   . . 2.710 2.439 2.339 2.544     .  0 0 "[    .    1    .    2]" 1 
          6 1   4 LEU H    1   4 LEU MD1  . . 3.880 3.100 1.812 3.640     .  0 0 "[    .    1    .    2]" 1 
          7 1   4 LEU H    1   4 LEU QD   . . 3.200 2.870 1.809 3.197     .  0 0 "[    .    1    .    2]" 1 
          8 1   4 LEU H    1   4 LEU MD2  . . 3.880 3.648 3.399 3.888 0.008  4 0 "[    .    1    .    2]" 1 
          9 1   4 LEU H    1   5 THR H    . . 4.640 4.582 4.500 4.639     .  0 0 "[    .    1    .    2]" 1 
         10 1   4 LEU HA   1   4 LEU MD1  . . 4.260 3.808 3.082 3.967     .  0 0 "[    .    1    .    2]" 1 
         11 1   4 LEU HA   1   4 LEU QD   . . 2.930 2.395 2.087 2.936 0.006  4 0 "[    .    1    .    2]" 1 
         12 1   4 LEU HA   1   4 LEU MD2  . . 4.260 2.516 2.095 3.655     .  0 0 "[    .    1    .    2]" 1 
         13 1   4 LEU HA   1   5 THR H    . . 2.810 2.282 2.185 2.614     .  0 0 "[    .    1    .    2]" 1 
         14 1   4 LEU QB   1   4 LEU QD   . . 2.570 1.883 1.820 1.939     .  0 0 "[    .    1    .    2]" 1 
         15 1   4 LEU QB   1   5 THR H    . . 3.490 2.960 2.166 3.278     .  0 0 "[    .    1    .    2]" 1 
         16 1   4 LEU QB   1   8 GLN HG3  . . 4.550 4.082 2.604 4.486     .  0 0 "[    .    1    .    2]" 1 
         17 1   4 LEU HB2  1   4 LEU MD1  . . 3.560 2.191 2.005 2.331     .  0 0 "[    .    1    .    2]" 1 
         18 1   4 LEU HB2  1   4 LEU MD2  . . 3.560 3.092 2.561 3.203     .  0 0 "[    .    1    .    2]" 1 
         19 1   4 LEU HB2  1   5 THR H    . . 4.280 4.034 3.464 4.251     .  0 0 "[    .    1    .    2]" 1 
         20 1   4 LEU HB3  1   4 LEU MD1  . . 3.560 2.659 2.405 3.188     .  0 0 "[    .    1    .    2]" 1 
         21 1   4 LEU HB3  1   4 LEU MD2  . . 3.560 2.207 2.076 2.305     .  0 0 "[    .    1    .    2]" 1 
         22 1   4 LEU HB3  1   5 THR H    . . 4.280 3.052 2.187 3.412     .  0 0 "[    .    1    .    2]" 1 
         23 1   4 LEU QD   1   5 THR H    . . 3.830 3.593 3.363 3.723     .  0 0 "[    .    1    .    2]" 1 
         24 1   4 LEU QD   1   8 GLN HB2  . . 3.870 2.847 2.620 3.167     .  0 0 "[    .    1    .    2]" 1 
         25 1   4 LEU QD   1   8 GLN HB3  . . 3.950 2.582 1.962 2.943     .  0 0 "[    .    1    .    2]" 1 
         26 1   4 LEU QD   1   8 GLN QE   . . 4.270 3.152 2.202 4.084     .  0 0 "[    .    1    .    2]" 1 
         27 1   4 LEU QD   1   8 GLN HG2  . . 4.470 4.351 4.032 4.473 0.003  5 0 "[    .    1    .    2]" 1 
         28 1   4 LEU QD   1   8 GLN HG3  . . 3.870 3.472 3.156 3.872 0.002  4 0 "[    .    1    .    2]" 1 
         29 1   4 LEU QD   1  12 PHE QE   . . 3.460 1.904 1.762 2.253     .  0 0 "[    .    1    .    2]" 1 
         30 1   4 LEU QD   1  12 PHE HZ   . . 3.590 2.360 1.786 3.522     .  0 0 "[    .    1    .    2]" 1 
         31 1   4 LEU QD   1  69 LEU QD   . . 3.540 2.239 1.719 2.858     .  0 0 "[    .    1    .    2]" 1 
         32 1   4 LEU QD   1  70 ALA HA   . . 4.050 3.956 3.748 4.051 0.001  4 0 "[    .    1    .    2]" 1 
         33 1   4 LEU QD   1  73 SER QB   . . 5.060 2.532 1.771 3.782     .  0 0 "[    .    1    .    2]" 1 
         34 1   4 LEU QD   1  74 ARG H    . . 5.440 5.207 4.660 5.440 0.000 14 0 "[    .    1    .    2]" 1 
         35 1   4 LEU MD1  1  12 PHE QE   . . 3.980 3.173 1.985 3.981 0.001  4 0 "[    .    1    .    2]" 1 
         36 1   4 LEU MD2  1  12 PHE QE   . . 3.980 1.965 1.775 2.448     .  0 0 "[    .    1    .    2]" 1 
         37 1   5 THR H    1   5 THR HB   . . 3.910 3.737 3.609 3.780     .  0 0 "[    .    1    .    2]" 1 
         38 1   5 THR H    1   5 THR MG   . . 3.080 2.419 2.119 2.713     .  0 0 "[    .    1    .    2]" 1 
         39 1   5 THR H    1   6 GLU H    . . 4.580 4.472 4.391 4.589 0.009  4 0 "[    .    1    .    2]" 1 
         40 1   5 THR H    1   8 GLN H    . . 3.580 3.109 2.815 3.472     .  0 0 "[    .    1    .    2]" 1 
         41 1   5 THR H    1   8 GLN HA   . . 5.180 4.907 4.673 5.184 0.004  4 0 "[    .    1    .    2]" 1 
         42 1   5 THR H    1   8 GLN HB2  . . 3.320 2.332 1.958 2.708     .  0 0 "[    .    1    .    2]" 1 
         43 1   5 THR H    1   8 GLN HB3  . . 4.010 3.851 3.617 4.010     .  0 0 "[    .    1    .    2]" 1 
         44 1   5 THR H    1   8 GLN HG2  . . 5.140 3.562 2.902 4.593     .  0 0 "[    .    1    .    2]" 1 
         45 1   5 THR H    1   8 GLN HG3  . . 4.690 2.360 1.953 3.055     .  0 0 "[    .    1    .    2]" 1 
         46 1   5 THR HA   1   5 THR MG   . . 3.150 2.575 2.443 2.647     .  0 0 "[    .    1    .    2]" 1 
         47 1   5 THR HA   1   6 GLU H    . . 3.160 2.541 2.363 2.693     .  0 0 "[    .    1    .    2]" 1 
         48 1   5 THR HA   1   6 GLU QG   . . 4.870 4.311 4.014 4.609     .  0 0 "[    .    1    .    2]" 1 
         49 1   5 THR HA   1   7 GLU H    . . 4.670 4.389 3.910 4.670     .  0 0 "[    .    1    .    2]" 1 
         50 1   5 THR HB   1   6 GLU H    . . 2.850 2.498 2.143 2.838     .  0 0 "[    .    1    .    2]" 1 
         51 1   5 THR HG1  1   7 GLU H    . . 5.470 2.984 1.950 3.684     .  0 0 "[    .    1    .    2]" 1 
         52 1   5 THR HG1  1   8 GLN H    . . 5.090 2.774 2.032 3.587     .  0 0 "[    .    1    .    2]" 1 
         53 1   5 THR MG   1   6 GLU H    . . 4.180 3.989 3.743 4.151     .  0 0 "[    .    1    .    2]" 1 
         54 1   5 THR MG   1   7 GLU H    . . 4.660 4.382 4.143 4.646     .  0 0 "[    .    1    .    2]" 1 
         55 1   5 THR MG   1   8 GLN H    . . 4.720 4.111 3.788 4.378     .  0 0 "[    .    1    .    2]" 1 
         56 1   5 THR MG   1   8 GLN HB2  . . 4.570 4.267 3.711 4.452     .  0 0 "[    .    1    .    2]" 1 
         57 1   5 THR MG   1   8 GLN HB3  . . 5.480 5.357 4.936 5.476     .  0 0 "[    .    1    .    2]" 1 
         58 1   6 GLU H    1   6 GLU QB   . . 3.030 2.434 2.327 2.637     .  0 0 "[    .    1    .    2]" 1 
         59 1   6 GLU H    1   6 GLU HG2  . . 3.700 2.128 1.964 2.318     .  0 0 "[    .    1    .    2]" 1 
         60 1   6 GLU H    1   6 GLU QG   . . 3.230 2.098 1.918 2.282     .  0 0 "[    .    1    .    2]" 1 
         61 1   6 GLU H    1   6 GLU HG3  . . 3.700 3.296 2.416 3.650     .  0 0 "[    .    1    .    2]" 1 
         62 1   6 GLU H    1   7 GLU H    . . 3.740 2.828 2.681 2.963     .  0 0 "[    .    1    .    2]" 1 
         63 1   6 GLU H    1   8 GLN H    . . 5.000 4.704 4.452 4.982     .  0 0 "[    .    1    .    2]" 1 
         64 1   6 GLU H    1   9 ILE MD   . . 4.880 3.680 3.133 4.044     .  0 0 "[    .    1    .    2]" 1 
         65 1   6 GLU HA   1   6 GLU HG2  . . 3.880 3.712 3.631 3.841     .  0 0 "[    .    1    .    2]" 1 
         66 1   6 GLU HA   1   6 GLU QG   . . 3.390 3.328 3.300 3.333     .  0 0 "[    .    1    .    2]" 1 
         67 1   6 GLU HA   1   6 GLU HG3  . . 3.880 3.770 3.629 3.871     .  0 0 "[    .    1    .    2]" 1 
         68 1   6 GLU HA   1   9 ILE H    . . 3.920 3.648 3.431 3.921 0.001 15 0 "[    .    1    .    2]" 1 
         69 1   6 GLU HA   1   9 ILE HB   . . 2.830 2.577 2.345 2.741     .  0 0 "[    .    1    .    2]" 1 
         70 1   6 GLU HA   1   9 ILE MD   . . 3.140 2.276 1.789 3.004     .  0 0 "[    .    1    .    2]" 1 
         71 1   6 GLU HA   1   9 ILE MG   . . 4.200 3.795 3.532 3.983     .  0 0 "[    .    1    .    2]" 1 
         72 1   6 GLU HA   1  10 ALA H    . . 4.370 4.011 3.457 4.319     .  0 0 "[    .    1    .    2]" 1 
         73 1   6 GLU QB   1   7 GLU H    . . 3.700 3.499 3.304 3.701 0.001  4 0 "[    .    1    .    2]" 1 
         74 1   6 GLU QG   1   7 GLU H    . . 3.400 2.065 1.827 2.302     .  0 0 "[    .    1    .    2]" 1 
         75 1   6 GLU HG2  1   7 GLU H    . . 3.940 2.511 1.978 3.533     .  0 0 "[    .    1    .    2]" 1 
         76 1   6 GLU HG3  1   7 GLU H    . . 3.940 2.297 2.086 2.756     .  0 0 "[    .    1    .    2]" 1 
         77 1   7 GLU H    1   7 GLU HB2  . . 3.000 2.511 2.415 2.672     .  0 0 "[    .    1    .    2]" 1 
         78 1   7 GLU H    1   7 GLU HB3  . . 3.640 3.552 3.542 3.575     .  0 0 "[    .    1    .    2]" 1 
         79 1   7 GLU H    1   7 GLU HG2  . . 3.970 2.822 2.198 3.606     .  0 0 "[    .    1    .    2]" 1 
         80 1   7 GLU H    1   7 GLU QG   . . 3.410 2.156 1.939 2.382     .  0 0 "[    .    1    .    2]" 1 
         81 1   7 GLU H    1   7 GLU HG3  . . 3.970 2.500 1.970 3.720     .  0 0 "[    .    1    .    2]" 1 
         82 1   7 GLU H    1   8 GLN H    . . 3.490 2.896 2.691 3.134     .  0 0 "[    .    1    .    2]" 1 
         83 1   7 GLU HA   1   7 GLU HG2  . . 3.480 2.591 2.234 3.498 0.018 14 0 "[    .    1    .    2]" 1 
         84 1   7 GLU HA   1   7 GLU QG   . . 2.970 2.462 2.208 2.978 0.008 13 0 "[    .    1    .    2]" 1 
         85 1   7 GLU HA   1   7 GLU HG3  . . 3.480 3.323 2.555 3.617 0.137 13 0 "[    .    1    .    2]" 1 
         86 1   7 GLU HA   1  10 ALA H    . . 3.940 3.567 3.163 3.939     .  0 0 "[    .    1    .    2]" 1 
         87 1   7 GLU HA   1  10 ALA MB   . . 3.130 2.684 2.319 3.043     .  0 0 "[    .    1    .    2]" 1 
         88 1   7 GLU HB2  1   7 GLU QG   . . 2.480 2.293 2.202 2.548 0.068 14 0 "[    .    1    .    2]" 1 
         89 1   7 GLU HB2  1   8 GLN H    . . 3.350 2.310 1.975 2.476     .  0 0 "[    .    1    .    2]" 1 
         90 1   7 GLU HB3  1   7 GLU QG   . . 2.670 2.436 2.180 2.564     .  0 0 "[    .    1    .    2]" 1 
         91 1   7 GLU HB3  1   8 GLN H    . . 3.570 3.389 2.970 3.569     .  0 0 "[    .    1    .    2]" 1 
         92 1   7 GLU QG   1   8 GLN H    . . 3.980 3.940 3.796 3.996 0.016 14 0 "[    .    1    .    2]" 1 
         93 1   7 GLU HG2  1   8 GLN H    . . 4.820 4.664 4.278 4.813     .  0 0 "[    .    1    .    2]" 1 
         94 1   7 GLU HG3  1   8 GLN H    . . 4.820 4.299 4.009 4.732     .  0 0 "[    .    1    .    2]" 1 
         95 1   8 GLN H    1   8 GLN HB2  . . 3.060 2.550 2.447 2.615     .  0 0 "[    .    1    .    2]" 1 
         96 1   8 GLN H    1   8 GLN HB3  . . 3.560 3.550 3.545 3.560     .  0 0 "[    .    1    .    2]" 1 
         97 1   8 GLN H    1   8 GLN HG2  . . 4.240 2.262 1.950 2.923     .  0 0 "[    .    1    .    2]" 1 
         98 1   8 GLN H    1   8 GLN HG3  . . 3.060 2.755 2.172 3.046     .  0 0 "[    .    1    .    2]" 1 
         99 1   8 GLN H    1   9 ILE H    . . 3.480 2.898 2.729 3.084     .  0 0 "[    .    1    .    2]" 1 
        100 1   8 GLN H    1   9 ILE MD   . . 5.130 4.992 4.644 5.130     .  0 0 "[    .    1    .    2]" 1 
        101 1   8 GLN H    1  10 ALA H    . . 4.450 4.245 3.986 4.450     .  0 0 "[    .    1    .    2]" 1 
        102 1   8 GLN H    1  10 ALA MB   . . 4.970 4.759 4.551 4.957     .  0 0 "[    .    1    .    2]" 1 
        103 1   8 GLN HA   1   8 GLN HG2  . . 3.270 2.536 2.238 2.704     .  0 0 "[    .    1    .    2]" 1 
        104 1   8 GLN HA   1   8 GLN HG3  . . 4.180 3.628 3.297 3.789     .  0 0 "[    .    1    .    2]" 1 
        105 1   8 GLN HA   1  11 GLU H    . . 4.230 3.244 3.005 3.662     .  0 0 "[    .    1    .    2]" 1 
        106 1   8 GLN HA   1  11 GLU HG2  . . 4.510 3.634 2.789 4.465     .  0 0 "[    .    1    .    2]" 1 
        107 1   8 GLN HA   1  11 GLU QG   . . 3.900 2.803 2.313 3.514     .  0 0 "[    .    1    .    2]" 1 
        108 1   8 GLN HA   1  11 GLU HG3  . . 4.510 3.007 2.372 3.888     .  0 0 "[    .    1    .    2]" 1 
        109 1   8 GLN HB2  1   9 ILE H    . . 3.980 2.447 2.298 2.781     .  0 0 "[    .    1    .    2]" 1 
        110 1   8 GLN HB3  1   9 ILE H    . . 3.760 3.551 3.296 3.760 0.000  8 0 "[    .    1    .    2]" 1 
        111 1   8 GLN HB3  1  12 PHE QE   . . 4.400 2.523 2.011 3.264     .  0 0 "[    .    1    .    2]" 1 
        112 1   8 GLN HG3  1   9 ILE H    . . 4.480 4.419 4.132 4.484 0.004 15 0 "[    .    1    .    2]" 1 
        113 1   9 ILE H    1   9 ILE HB   . . 3.340 2.411 2.358 2.511     .  0 0 "[    .    1    .    2]" 1 
        114 1   9 ILE H    1   9 ILE MD   . . 3.910 3.213 2.975 3.436     .  0 0 "[    .    1    .    2]" 1 
        115 1   9 ILE H    1   9 ILE HG12 . . 3.780 3.499 3.380 3.570     .  0 0 "[    .    1    .    2]" 1 
        116 1   9 ILE H    1   9 ILE HG13 . . 3.660 2.064 1.949 2.153     .  0 0 "[    .    1    .    2]" 1 
        117 1   9 ILE H    1   9 ILE MG   . . 4.000 3.705 3.695 3.719     .  0 0 "[    .    1    .    2]" 1 
        118 1   9 ILE H    1  10 ALA H    . . 3.450 2.858 2.593 3.066     .  0 0 "[    .    1    .    2]" 1 
        119 1   9 ILE H    1  10 ALA MB   . . 4.610 4.373 4.172 4.529     .  0 0 "[    .    1    .    2]" 1 
        120 1   9 ILE H    1  11 GLU H    . . 4.630 4.133 3.649 4.631 0.001 12 0 "[    .    1    .    2]" 1 
        121 1   9 ILE H    1  69 LEU QD   . . 5.440 4.118 3.663 4.857     .  0 0 "[    .    1    .    2]" 1 
        122 1   9 ILE HA   1   9 ILE MD   . . 4.100 3.842 3.796 3.906     .  0 0 "[    .    1    .    2]" 1 
        123 1   9 ILE HA   1   9 ILE HG12 . . 3.590 2.665 2.492 2.830     .  0 0 "[    .    1    .    2]" 1 
        124 1   9 ILE HA   1   9 ILE HG13 . . 4.120 2.710 2.601 2.855     .  0 0 "[    .    1    .    2]" 1 
        125 1   9 ILE HA   1   9 ILE MG   . . 3.410 2.480 2.281 2.580     .  0 0 "[    .    1    .    2]" 1 
        126 1   9 ILE HA   1  11 GLU H    . . 4.720 4.171 3.691 4.714     .  0 0 "[    .    1    .    2]" 1 
        127 1   9 ILE HA   1  12 PHE H    . . 4.060 3.225 2.959 3.455     .  0 0 "[    .    1    .    2]" 1 
        128 1   9 ILE HA   1  12 PHE QD   . . 4.290 2.026 1.998 2.259     .  0 0 "[    .    1    .    2]" 1 
        129 1   9 ILE HA   1  69 LEU MD1  . . 4.470 3.819 3.321 4.190     .  0 0 "[    .    1    .    2]" 1 
        130 1   9 ILE HA   1  69 LEU MD2  . . 4.470 2.725 2.137 3.560     .  0 0 "[    .    1    .    2]" 1 
        131 1   9 ILE HB   1   9 ILE MD   . . 3.220 2.144 1.998 2.315     .  0 0 "[    .    1    .    2]" 1 
        132 1   9 ILE HB   1  10 ALA H    . . 3.180 2.679 2.460 2.946     .  0 0 "[    .    1    .    2]" 1 
        133 1   9 ILE MD   1   9 ILE MG   . . 2.980 2.244 1.932 2.486     .  0 0 "[    .    1    .    2]" 1 
        134 1   9 ILE MD   1  10 ALA H    . . 4.540 4.391 4.222 4.540     .  0 0 "[    .    1    .    2]" 1 
        135 1   9 ILE MD   1  65 PHE QE   . . 4.580 4.183 3.235 4.573     .  0 0 "[    .    1    .    2]" 1 
        136 1   9 ILE MD   1  69 LEU MD1  . . 5.210 5.083 4.482 5.212 0.002 15 0 "[    .    1    .    2]" 1 
        137 1   9 ILE MD   1  69 LEU QD   . . 4.140 3.288 3.033 3.543     .  0 0 "[    .    1    .    2]" 1 
        138 1   9 ILE MD   1  69 LEU MD2  . . 5.210 3.331 3.084 3.607     .  0 0 "[    .    1    .    2]" 1 
        139 1   9 ILE HG12 1   9 ILE MG   . . 2.400 2.269 2.129 2.400 0.000  2 0 "[    .    1    .    2]" 1 
        140 1   9 ILE HG12 1  69 LEU MD1  . . 5.070 4.094 3.522 4.271     .  0 0 "[    .    1    .    2]" 1 
        141 1   9 ILE HG12 1  69 LEU MD2  . . 5.070 2.137 1.863 2.441     .  0 0 "[    .    1    .    2]" 1 
        142 1   9 ILE HG13 1   9 ILE MG   . . 3.480 3.207 3.160 3.237     .  0 0 "[    .    1    .    2]" 1 
        143 1   9 ILE HG13 1  10 ALA H    . . 4.510 4.418 4.203 4.509     .  0 0 "[    .    1    .    2]" 1 
        144 1   9 ILE HG13 1  69 LEU MD1  . . 5.340 5.102 4.586 5.333     .  0 0 "[    .    1    .    2]" 1 
        145 1   9 ILE HG13 1  69 LEU QD   . . 4.650 2.955 2.441 3.459     .  0 0 "[    .    1    .    2]" 1 
        146 1   9 ILE HG13 1  69 LEU MD2  . . 5.340 2.975 2.449 3.506     .  0 0 "[    .    1    .    2]" 1 
        147 1   9 ILE MG   1  10 ALA H    . . 3.780 3.358 2.874 3.665     .  0 0 "[    .    1    .    2]" 1 
        148 1   9 ILE MG   1  10 ALA HA   . . 4.090 3.447 3.043 3.757     .  0 0 "[    .    1    .    2]" 1 
        149 1   9 ILE MG   1  11 GLU H    . . 5.200 4.835 4.462 5.100     .  0 0 "[    .    1    .    2]" 1 
        150 1   9 ILE MG   1  12 PHE H    . . 4.760 4.492 4.003 4.760     . 17 0 "[    .    1    .    2]" 1 
        151 1   9 ILE MG   1  12 PHE HB2  . . 5.060 3.523 2.920 3.864     .  0 0 "[    .    1    .    2]" 1 
        152 1   9 ILE MG   1  12 PHE HB3  . . 5.010 4.698 3.945 5.011 0.001 13 0 "[    .    1    .    2]" 1 
        153 1   9 ILE MG   1  12 PHE QD   . . 4.150 3.808 3.269 4.151 0.001 12 0 "[    .    1    .    2]" 1 
        154 1   9 ILE MG   1  13 LYS H    . . 4.760 3.889 3.423 4.258     .  0 0 "[    .    1    .    2]" 1 
        155 1   9 ILE MG   1  13 LYS QE   . . 3.550 2.637 1.874 3.549     .  0 0 "[    .    1    .    2]" 1 
        156 1   9 ILE MG   1  65 PHE QD   . . 4.790 3.969 3.004 4.743     .  0 0 "[    .    1    .    2]" 1 
        157 1   9 ILE MG   1  65 PHE QE   . . 3.610 2.242 1.858 2.932     .  0 0 "[    .    1    .    2]" 1 
        158 1   9 ILE MG   1  65 PHE HZ   . . 3.700 2.032 1.807 2.856     .  0 0 "[    .    1    .    2]" 1 
        159 1   9 ILE MG   1  69 LEU MD1  . . 4.030 3.766 3.085 4.031 0.001 10 0 "[    .    1    .    2]" 1 
        160 1   9 ILE MG   1  69 LEU QD   . . 3.430 2.777 2.049 3.365     .  0 0 "[    .    1    .    2]" 1 
        161 1   9 ILE MG   1  69 LEU MD2  . . 4.030 2.874 2.080 3.649     .  0 0 "[    .    1    .    2]" 1 
        162 1  10 ALA H    1  10 ALA MB   . . 2.880 2.046 1.931 2.165     .  0 0 "[    .    1    .    2]" 1 
        163 1  10 ALA H    1  11 GLU H    . . 3.290 2.726 2.488 3.124     .  0 0 "[    .    1    .    2]" 1 
        164 1  10 ALA H    1  12 PHE H    . . 4.750 4.273 3.968 4.562     .  0 0 "[    .    1    .    2]" 1 
        165 1  10 ALA H    1  13 LYS H    . . 5.030 4.753 4.567 4.864     .  0 0 "[    .    1    .    2]" 1 
        166 1  10 ALA H    1  13 LYS QE   . . 4.950 4.406 3.081 4.950 0.000 11 0 "[    .    1    .    2]" 1 
        167 1  10 ALA HA   1  12 PHE H    . . 4.860 4.591 4.022 4.861 0.001 12 0 "[    .    1    .    2]" 1 
        168 1  10 ALA HA   1  13 LYS H    . . 3.860 3.491 3.034 3.644     .  0 0 "[    .    1    .    2]" 1 
        169 1  10 ALA HA   1  13 LYS HB2  . . 3.330 2.761 2.371 3.094     .  0 0 "[    .    1    .    2]" 1 
        170 1  10 ALA HA   1  13 LYS HB3  . . 4.440 4.194 3.519 4.440     .  0 0 "[    .    1    .    2]" 1 
        171 1  10 ALA HA   1  13 LYS QD   . . 3.550 2.859 1.980 3.552 0.002  8 0 "[    .    1    .    2]" 1 
        172 1  10 ALA MB   1  11 GLU H    . . 3.240 2.725 2.312 3.049     .  0 0 "[    .    1    .    2]" 1 
        173 1  10 ALA MB   1  12 PHE H    . . 5.000 4.677 4.372 4.990     .  0 0 "[    .    1    .    2]" 1 
        174 1  10 ALA MB   1  13 LYS H    . . 4.720 4.612 4.309 4.721 0.001  6 0 "[    .    1    .    2]" 1 
        175 1  11 GLU H    1  11 GLU HB2  . . 3.690 2.394 2.166 2.636     .  0 0 "[    .    1    .    2]" 1 
        176 1  11 GLU H    1  11 GLU QB   . . 2.930 2.357 2.145 2.568     .  0 0 "[    .    1    .    2]" 1 
        177 1  11 GLU H    1  11 GLU HB3  . . 3.690 3.542 3.455 3.595     .  0 0 "[    .    1    .    2]" 1 
        178 1  11 GLU H    1  11 GLU HG2  . . 3.860 2.568 2.079 3.674     .  0 0 "[    .    1    .    2]" 1 
        179 1  11 GLU H    1  11 GLU QG   . . 3.200 2.326 1.970 2.890     .  0 0 "[    .    1    .    2]" 1 
        180 1  11 GLU H    1  11 GLU HG3  . . 3.860 3.242 2.029 3.855     .  0 0 "[    .    1    .    2]" 1 
        181 1  11 GLU H    1  12 PHE H    . . 3.340 2.624 2.332 2.924     .  0 0 "[    .    1    .    2]" 1 
        182 1  11 GLU H    1  12 PHE HB2  . . 4.800 4.555 4.121 4.799     .  0 0 "[    .    1    .    2]" 1 
        183 1  11 GLU H    1  13 LYS H    . . 4.410 3.950 3.570 4.263     .  0 0 "[    .    1    .    2]" 1 
        184 1  11 GLU HA   1  11 GLU HG2  . . 3.770 2.689 2.141 3.194     .  0 0 "[    .    1    .    2]" 1 
        185 1  11 GLU HA   1  11 GLU QG   . . 3.160 2.608 2.109 3.008     .  0 0 "[    .    1    .    2]" 1 
        186 1  11 GLU HA   1  11 GLU HG3  . . 3.770 3.584 2.769 3.770     .  0 0 "[    .    1    .    2]" 1 
        187 1  11 GLU HA   1  13 LYS H    . . 5.020 4.179 3.696 4.499     .  0 0 "[    .    1    .    2]" 1 
        188 1  11 GLU HA   1  14 GLU H    . . 4.020 3.751 3.371 4.023 0.003  8 0 "[    .    1    .    2]" 1 
        189 1  11 GLU QB   1  11 GLU QG   . . 2.370 2.066 2.015 2.127     .  0 0 "[    .    1    .    2]" 1 
        190 1  11 GLU QB   1  12 PHE H    . . 3.410 2.572 2.346 2.900     .  0 0 "[    .    1    .    2]" 1 
        191 1  11 GLU QB   1  13 LYS H    . . 4.940 4.586 4.242 4.768     .  0 0 "[    .    1    .    2]" 1 
        192 1  11 GLU QB   1 102 ALA MB   . . 3.830 1.988 1.608 3.025     .  0 0 "[    .    1    .    2]" 1 
        193 1  11 GLU HB2  1  12 PHE H    . . 3.900 2.641 2.384 2.991     .  0 0 "[    .    1    .    2]" 1 
        194 1  11 GLU HB2  1 102 ALA MB   . . 4.430 2.251 1.771 3.529     .  0 0 "[    .    1    .    2]" 1 
        195 1  11 GLU HB3  1  12 PHE H    . . 3.900 3.589 3.171 3.899     .  0 0 "[    .    1    .    2]" 1 
        196 1  11 GLU HB3  1 102 ALA MB   . . 4.430 2.278 1.779 3.291     .  0 0 "[    .    1    .    2]" 1 
        197 1  11 GLU QG   1  12 PHE H    . . 4.480 4.107 3.800 4.396     .  0 0 "[    .    1    .    2]" 1 
        198 1  11 GLU HG2  1  12 PHE H    . . 5.210 4.547 4.251 5.089     .  0 0 "[    .    1    .    2]" 1 
        199 1  11 GLU HG3  1  12 PHE H    . . 5.210 4.773 4.015 5.195     .  0 0 "[    .    1    .    2]" 1 
        200 1  12 PHE H    1  12 PHE HB2  . . 3.510 2.316 2.027 2.554     .  0 0 "[    .    1    .    2]" 1 
        201 1  12 PHE H    1  12 PHE HB3  . . 3.800 3.447 3.365 3.474     .  0 0 "[    .    1    .    2]" 1 
        202 1  12 PHE H    1  12 PHE QD   . . 4.050 2.864 2.067 3.098     .  0 0 "[    .    1    .    2]" 1 
        203 1  12 PHE H    1  13 LYS H    . . 3.650 2.687 2.406 2.918     .  0 0 "[    .    1    .    2]" 1 
        204 1  12 PHE H    1  69 LEU QD   . . 5.420 4.249 3.754 4.808     .  0 0 "[    .    1    .    2]" 1 
        205 1  12 PHE H    1 102 ALA MB   . . 4.370 3.153 2.513 4.371 0.001 15 0 "[    .    1    .    2]" 1 
        206 1  12 PHE HA   1  12 PHE QD   . . 3.980 2.201 1.995 3.017     .  0 0 "[    .    1    .    2]" 1 
        207 1  12 PHE HA   1  15 ALA H    . . 4.140 3.252 3.020 3.600     .  0 0 "[    .    1    .    2]" 1 
        208 1  12 PHE HA   1  15 ALA MB   . . 3.940 2.301 1.959 2.663     .  0 0 "[    .    1    .    2]" 1 
        209 1  12 PHE HB2  1  13 LYS H    . . 4.520 2.718 2.409 3.207     .  0 0 "[    .    1    .    2]" 1 
        210 1  12 PHE HB2  1  69 LEU QD   . . 4.420 2.672 2.149 3.131     .  0 0 "[    .    1    .    2]" 1 
        211 1  12 PHE HB3  1  13 LYS H    . . 4.600 3.698 3.332 3.979     .  0 0 "[    .    1    .    2]" 1 
        212 1  12 PHE HB3  1  69 LEU MD1  . . 4.920 2.237 1.935 2.704     .  0 0 "[    .    1    .    2]" 1 
        213 1  12 PHE HB3  1  69 LEU QD   . . 4.080 2.218 1.929 2.685     .  0 0 "[    .    1    .    2]" 1 
        214 1  12 PHE HB3  1  69 LEU MD2  . . 4.920 3.853 2.752 4.589     .  0 0 "[    .    1    .    2]" 1 
        215 1  12 PHE QD   1  13 LYS H    . . 4.840 4.422 4.171 4.724     .  0 0 "[    .    1    .    2]" 1 
        216 1  12 PHE QE   1  69 LEU MD1  . . 4.330 3.977 3.198 4.320     .  0 0 "[    .    1    .    2]" 1 
        217 1  12 PHE QE   1  69 LEU QD   . . 3.780 2.750 1.969 3.625     .  0 0 "[    .    1    .    2]" 1 
        218 1  12 PHE QE   1  69 LEU MD2  . . 4.330 2.847 1.978 3.894     .  0 0 "[    .    1    .    2]" 1 
        219 1  12 PHE QE   1 102 ALA HA   . . 4.600 2.208 1.998 3.623     .  0 0 "[    .    1    .    2]" 1 
        220 1  13 LYS H    1  13 LYS HB2  . . 3.610 2.229 2.142 2.383     .  0 0 "[    .    1    .    2]" 1 
        221 1  13 LYS H    1  13 LYS HB3  . . 3.780 3.452 2.829 3.540     .  0 0 "[    .    1    .    2]" 1 
        222 1  13 LYS H    1  13 LYS QD   . . 4.990 3.875 2.028 4.379     .  0 0 "[    .    1    .    2]" 1 
        223 1  13 LYS H    1  13 LYS QG   . . 4.060 2.656 2.237 3.849     .  0 0 "[    .    1    .    2]" 1 
        224 1  13 LYS H    1  14 GLU H    . . 3.480 2.794 2.626 3.207     .  0 0 "[    .    1    .    2]" 1 
        225 1  13 LYS H    1  65 PHE HZ   . . 4.620 3.464 2.330 4.598     .  0 0 "[    .    1    .    2]" 1 
        226 1  13 LYS HA   1  13 LYS HD2  . . 4.660 4.363 3.768 4.606     .  0 0 "[    .    1    .    2]" 1 
        227 1  13 LYS HA   1  13 LYS QD   . . 4.090 3.786 3.034 3.978     .  0 0 "[    .    1    .    2]" 1 
        228 1  13 LYS HA   1  13 LYS HD3  . . 4.660 4.189 3.199 4.560     .  0 0 "[    .    1    .    2]" 1 
        229 1  13 LYS HA   1  13 LYS HG2  . . 4.040 2.411 2.057 3.383     .  0 0 "[    .    1    .    2]" 1 
        230 1  13 LYS HA   1  13 LYS QG   . . 3.550 2.150 2.025 2.276     .  0 0 "[    .    1    .    2]" 1 
        231 1  13 LYS HA   1  13 LYS HG3  . . 4.040 2.712 2.058 3.220     .  0 0 "[    .    1    .    2]" 1 
        232 1  13 LYS HA   1  16 PHE H    . . 4.400 4.108 3.874 4.399     .  0 0 "[    .    1    .    2]" 1 
        233 1  13 LYS HA   1  16 PHE HB2  . . 3.950 3.687 3.173 3.951 0.001  7 0 "[    .    1    .    2]" 1 
        234 1  13 LYS HA   1  16 PHE QB   . . 3.460 3.109 2.852 3.457     .  0 0 "[    .    1    .    2]" 1 
        235 1  13 LYS HA   1  16 PHE HB3  . . 3.950 3.417 2.934 3.874     .  0 0 "[    .    1    .    2]" 1 
        236 1  13 LYS HA   1  17 ALA H    . . 5.020 4.506 3.998 4.950     .  0 0 "[    .    1    .    2]" 1 
        237 1  13 LYS HA   1  65 PHE QD   . . 4.790 4.203 3.639 4.615     .  0 0 "[    .    1    .    2]" 1 
        238 1  13 LYS HA   1  65 PHE QE   . . 3.620 2.452 2.000 3.198     .  0 0 "[    .    1    .    2]" 1 
        239 1  13 LYS HA   1  65 PHE HZ   . . 4.550 3.595 2.411 4.299     .  0 0 "[    .    1    .    2]" 1 
        240 1  13 LYS HB2  1  14 GLU H    . . 3.440 3.139 2.381 3.438     .  0 0 "[    .    1    .    2]" 1 
        241 1  13 LYS HB3  1  13 LYS QD   . . 3.690 2.577 2.168 3.429     .  0 0 "[    .    1    .    2]" 1 
        242 1  13 LYS HB3  1  14 GLU H    . . 3.940 3.640 2.213 3.942 0.002 15 0 "[    .    1    .    2]" 1 
        243 1  13 LYS HB3  1  14 GLU HA   . . 5.190 4.312 3.995 4.463     .  0 0 "[    .    1    .    2]" 1 
        244 1  13 LYS QE   1  13 LYS QG   . . 3.490 2.379 2.072 2.921     .  0 0 "[    .    1    .    2]" 1 
        245 1  13 LYS QE   1  65 PHE QE   . . 5.200 3.852 2.128 5.193     .  0 0 "[    .    1    .    2]" 1 
        246 1  14 GLU H    1  14 GLU HB2  . . 3.820 2.751 2.590 2.812     .  0 0 "[    .    1    .    2]" 1 
        247 1  14 GLU H    1  14 GLU QB   . . 3.140 2.670 2.538 2.719     .  0 0 "[    .    1    .    2]" 1 
        248 1  14 GLU H    1  14 GLU HB3  . . 3.820 3.613 3.522 3.637     .  0 0 "[    .    1    .    2]" 1 
        249 1  14 GLU H    1  14 GLU HG2  . . 3.390 2.607 2.298 2.792     .  0 0 "[    .    1    .    2]" 1 
        250 1  14 GLU H    1  14 GLU HG3  . . 3.630 2.224 2.024 2.757     .  0 0 "[    .    1    .    2]" 1 
        251 1  14 GLU HA   1  14 GLU HG2  . . 3.050 2.635 2.512 2.705     .  0 0 "[    .    1    .    2]" 1 
        252 1  14 GLU HA   1  14 GLU HG3  . . 3.770 3.606 3.562 3.685     .  0 0 "[    .    1    .    2]" 1 
        253 1  14 GLU HA   1  16 PHE H    . . 4.950 3.920 3.685 4.744     .  0 0 "[    .    1    .    2]" 1 
        254 1  14 GLU HA   1  18 LEU H    . . 4.770 4.132 3.883 4.491     .  0 0 "[    .    1    .    2]" 1 
        255 1  14 GLU QB   1  15 ALA H    . . 3.270 2.204 2.063 2.383     .  0 0 "[    .    1    .    2]" 1 
        256 1  14 GLU HB2  1  15 ALA H    . . 3.770 2.223 2.078 2.409     .  0 0 "[    .    1    .    2]" 1 
        257 1  14 GLU HB3  1  15 ALA H    . . 3.770 3.628 3.386 3.770     . 17 0 "[    .    1    .    2]" 1 
        258 1  14 GLU HG2  1  15 ALA H    . . 4.450 4.381 4.266 4.452 0.002 12 0 "[    .    1    .    2]" 1 
        259 1  14 GLU HG3  1  15 ALA H    . . 4.010 3.619 3.446 3.967     .  0 0 "[    .    1    .    2]" 1 
        260 1  15 ALA H    1  15 ALA MB   . . 3.190 2.041 1.955 2.173     .  0 0 "[    .    1    .    2]" 1 
        261 1  15 ALA H    1  16 PHE H    . . 3.710 2.902 2.829 3.050     .  0 0 "[    .    1    .    2]" 1 
        262 1  15 ALA H    1  16 PHE HA   . . 5.500 5.398 5.342 5.502 0.002  7 0 "[    .    1    .    2]" 1 
        263 1  15 ALA H    1  18 LEU QD   . . 4.730 3.333 3.148 3.529     .  0 0 "[    .    1    .    2]" 1 
        264 1  15 ALA H    1 102 ALA MB   . . 5.310 4.812 3.793 5.312 0.002  2 0 "[    .    1    .    2]" 1 
        265 1  15 ALA H    1 106 LYS HE2  . . 5.500 4.631 3.044 5.500 0.000  8 0 "[    .    1    .    2]" 1 
        266 1  15 ALA H    1 106 LYS HE3  . . 5.500 4.679 2.866 5.502 0.002 13 0 "[    .    1    .    2]" 1 
        267 1  15 ALA HA   1  18 LEU QD   . . 3.440 2.116 1.829 2.505     .  0 0 "[    .    1    .    2]" 1 
        268 1  15 ALA MB   1  16 PHE H    . . 4.250 2.817 2.435 2.942     .  0 0 "[    .    1    .    2]" 1 
        269 1  15 ALA MB   1  16 PHE HA   . . 4.780 3.835 3.682 3.923     .  0 0 "[    .    1    .    2]" 1 
        270 1  15 ALA MB   1  16 PHE QB   . . 4.710 3.813 3.703 3.946     .  0 0 "[    .    1    .    2]" 1 
        271 1  15 ALA MB   1  18 LEU HB2  . . 4.340 4.029 3.613 4.344 0.004  1 0 "[    .    1    .    2]" 1 
        272 1  15 ALA MB   1  19 PHE QE   . . 4.510 4.119 3.460 4.469     .  0 0 "[    .    1    .    2]" 1 
        273 1  15 ALA MB   1  68 PHE HZ   . . 4.610 3.840 2.287 4.610 0.000  4 0 "[    .    1    .    2]" 1 
        274 1  15 ALA MB   1 102 ALA MB   . . 4.090 3.424 2.554 4.017     .  0 0 "[    .    1    .    2]" 1 
        275 1  15 ALA MB   1 105 LEU QB   . . 5.040 3.249 2.296 4.714     .  0 0 "[    .    1    .    2]" 1 
        276 1  15 ALA MB   1 105 LEU MD1  . . 4.290 3.430 1.695 4.283     .  0 0 "[    .    1    .    2]" 1 
        277 1  15 ALA MB   1 105 LEU QD   . . 3.740 2.454 1.692 3.086     .  0 0 "[    .    1    .    2]" 1 
        278 1  15 ALA MB   1 105 LEU MD2  . . 4.290 2.906 1.783 4.292 0.002 15 0 "[    .    1    .    2]" 1 
        279 1  15 ALA MB   1 106 LYS QG   . . 4.120 3.003 2.232 4.035     .  0 0 "[    .    1    .    2]" 1 
        280 1  15 ALA MB   1 109 LEU MD1  . . 4.020 3.668 2.348 4.024 0.004 14 0 "[    .    1    .    2]" 1 
        281 1  16 PHE H    1  16 PHE HB2  . . 4.070 2.210 2.042 2.536     .  0 0 "[    .    1    .    2]" 1 
        282 1  16 PHE H    1  16 PHE QB   . . 3.520 2.058 1.986 2.123     .  0 0 "[    .    1    .    2]" 1 
        283 1  16 PHE H    1  16 PHE HB3  . . 4.070 2.547 2.228 2.715     .  0 0 "[    .    1    .    2]" 1 
        284 1  16 PHE H    1  17 ALA H    . . 3.860 2.628 2.407 2.839     .  0 0 "[    .    1    .    2]" 1 
        285 1  16 PHE H    1  17 ALA MB   . . 5.380 4.164 4.030 4.402     .  0 0 "[    .    1    .    2]" 1 
        286 1  16 PHE H    1  18 LEU H    . . 5.340 3.803 3.591 4.074     .  0 0 "[    .    1    .    2]" 1 
        287 1  16 PHE HA   1  16 PHE QD   . . 4.430 3.019 2.332 3.268     .  0 0 "[    .    1    .    2]" 1 
        288 1  16 PHE HA   1  17 ALA HA   . . 4.890 4.802 4.690 4.893 0.003  1 0 "[    .    1    .    2]" 1 
        289 1  16 PHE HA   1  18 LEU H    . . 4.290 4.063 3.747 4.295 0.005 12 0 "[    .    1    .    2]" 1 
        290 1  16 PHE HA   1  19 PHE H    . . 4.390 3.475 3.104 3.661     .  0 0 "[    .    1    .    2]" 1 
        291 1  16 PHE HA   1  19 PHE QD   . . 4.240 3.439 2.610 3.855     .  0 0 "[    .    1    .    2]" 1 
        292 1  16 PHE HA   1  20 ASP H    . . 5.130 4.251 3.885 4.483     .  0 0 "[    .    1    .    2]" 1 
        293 1  16 PHE HA   1  27 ILE MD   . . 4.530 3.318 2.718 3.755     .  0 0 "[    .    1    .    2]" 1 
        294 1  16 PHE HA   1  68 PHE HZ   . . 4.600 3.860 3.103 4.590     .  0 0 "[    .    1    .    2]" 1 
        295 1  16 PHE HA   1 105 LEU QD   . . 5.200 4.526 3.701 5.166     .  0 0 "[    .    1    .    2]" 1 
        296 1  16 PHE QB   1  17 ALA H    . . 3.490 2.281 1.991 2.763     .  0 0 "[    .    1    .    2]" 1 
        297 1  16 PHE QB   1  18 LEU H    . . 4.650 4.348 4.124 4.557     .  0 0 "[    .    1    .    2]" 1 
        298 1  16 PHE QB   1  65 PHE QD   . . 4.350 3.848 3.018 4.350 0.000 18 0 "[    .    1    .    2]" 1 
        299 1  16 PHE HB2  1  17 ALA H    . . 4.270 3.550 3.254 3.833     .  0 0 "[    .    1    .    2]" 1 
        300 1  16 PHE HB2  1  18 LEU H    . . 5.500 5.329 5.085 5.502 0.002  5 0 "[    .    1    .    2]" 1 
        301 1  16 PHE HB2  1  65 PHE QD   . . 5.030 4.215 3.157 4.933     .  0 0 "[    .    1    .    2]" 1 
        302 1  16 PHE HB2  1  65 PHE QE   . . 4.990 3.951 2.739 4.705     .  0 0 "[    .    1    .    2]" 1 
        303 1  16 PHE HB3  1  17 ALA H    . . 4.270 2.312 2.009 2.844     .  0 0 "[    .    1    .    2]" 1 
        304 1  16 PHE HB3  1  18 LEU H    . . 5.500 4.610 4.361 4.880     .  0 0 "[    .    1    .    2]" 1 
        305 1  16 PHE HB3  1  65 PHE QD   . . 5.030 4.515 3.691 5.030 0.000 11 0 "[    .    1    .    2]" 1 
        306 1  16 PHE HB3  1  65 PHE QE   . . 4.990 4.300 2.614 4.990 0.000 15 0 "[    .    1    .    2]" 1 
        307 1  16 PHE QD   1  17 ALA HA   . . 4.450 3.268 2.333 4.432     .  0 0 "[    .    1    .    2]" 1 
        308 1  16 PHE QD   1  27 ILE MD   . . 4.740 3.017 2.675 3.250     .  0 0 "[    .    1    .    2]" 1 
        309 1  16 PHE QE   1  25 GLY H    . . 5.010 3.415 2.375 4.104     .  0 0 "[    .    1    .    2]" 1 
        310 1  16 PHE QE   1  25 GLY QA   . . 4.430 3.006 2.087 3.789     .  0 0 "[    .    1    .    2]" 1 
        311 1  16 PHE QE   1  26 SER HA   . . 4.440 3.627 2.493 4.439     .  0 0 "[    .    1    .    2]" 1 
        312 1  16 PHE QE   1  27 ILE H    . . 4.670 4.040 3.545 4.658     .  0 0 "[    .    1    .    2]" 1 
        313 1  16 PHE QE   1  27 ILE MD   . . 4.000 2.593 2.007 3.010     .  0 0 "[    .    1    .    2]" 1 
        314 1  16 PHE QE   1  27 ILE MG   . . 5.300 4.682 4.338 5.102     .  0 0 "[    .    1    .    2]" 1 
        315 1  16 PHE QE   1  63 ILE MG   . . 3.910 2.978 2.378 3.492     .  0 0 "[    .    1    .    2]" 1 
        316 1  16 PHE QE   1  65 PHE H    . . 5.000 4.050 3.231 4.859     .  0 0 "[    .    1    .    2]" 1 
        317 1  16 PHE QE   1  65 PHE HA   . . 4.460 2.698 2.035 3.567     .  0 0 "[    .    1    .    2]" 1 
        318 1  16 PHE QE   1  68 PHE H    . . 4.520 3.797 3.121 4.370     .  0 0 "[    .    1    .    2]" 1 
        319 1  16 PHE HZ   1  26 SER HA   . . 3.730 2.893 2.010 3.414     .  0 0 "[    .    1    .    2]" 1 
        320 1  16 PHE HZ   1  27 ILE H    . . 4.530 3.405 2.983 4.524     .  0 0 "[    .    1    .    2]" 1 
        321 1  16 PHE HZ   1  65 PHE H    . . 4.600 4.172 3.144 4.601 0.001  2 0 "[    .    1    .    2]" 1 
        322 1  17 ALA H    1  17 ALA MB   . . 3.030 2.077 1.931 2.161     .  0 0 "[    .    1    .    2]" 1 
        323 1  17 ALA H    1  18 LEU H    . . 3.700 2.666 2.324 2.868     .  0 0 "[    .    1    .    2]" 1 
        324 1  17 ALA H    1  20 ASP HB3  . . 5.350 5.154 4.566 5.352 0.002 13 0 "[    .    1    .    2]" 1 
        325 1  17 ALA HA   1  20 ASP H    . . 3.540 2.953 2.615 3.292     .  0 0 "[    .    1    .    2]" 1 
        326 1  17 ALA HA   1  20 ASP HB2  . . 4.860 2.635 2.087 3.659     .  0 0 "[    .    1    .    2]" 1 
        327 1  17 ALA HA   1  20 ASP HB3  . . 3.490 2.530 2.163 2.736     .  0 0 "[    .    1    .    2]" 1 
        328 1  17 ALA MB   1  18 LEU H    . . 3.690 2.833 2.601 3.078     .  0 0 "[    .    1    .    2]" 1 
        329 1  17 ALA MB   1  18 LEU QD   . . 4.150 2.732 2.532 3.035     .  0 0 "[    .    1    .    2]" 1 
        330 1  17 ALA MB   1  19 PHE H    . . 4.810 4.453 4.306 4.608     .  0 0 "[    .    1    .    2]" 1 
        331 1  18 LEU H    1  18 LEU HB2  . . 3.690 2.184 2.110 2.365     .  0 0 "[    .    1    .    2]" 1 
        332 1  18 LEU H    1  18 LEU HB3  . . 3.520 3.463 3.422 3.523 0.003  1 0 "[    .    1    .    2]" 1 
        333 1  18 LEU H    1  18 LEU MD1  . . 3.940 2.109 1.897 2.775     .  0 0 "[    .    1    .    2]" 1 
        334 1  18 LEU H    1  18 LEU QD   . . 3.430 2.055 1.877 2.180     .  0 0 "[    .    1    .    2]" 1 
        335 1  18 LEU H    1  18 LEU MD2  . . 3.940 3.677 1.909 3.941 0.001  4 0 "[    .    1    .    2]" 1 
        336 1  18 LEU H    1  18 LEU HG   . . 3.900 3.890 3.834 3.912 0.012 12 0 "[    .    1    .    2]" 1 
        337 1  18 LEU H    1  19 PHE H    . . 2.950 2.696 2.472 2.854     .  0 0 "[    .    1    .    2]" 1 
        338 1  18 LEU H    1 109 LEU MD1  . . 5.500 4.661 3.667 5.436     .  0 0 "[    .    1    .    2]" 1 
        339 1  18 LEU H    1 109 LEU MD2  . . 5.500 5.443 4.556 5.502 0.002  4 0 "[    .    1    .    2]" 1 
        340 1  18 LEU HA   1  18 LEU MD1  . . 3.840 2.310 1.894 2.561     .  0 0 "[    .    1    .    2]" 1 
        341 1  18 LEU HA   1  18 LEU QD   . . 2.890 2.287 1.884 2.519     .  0 0 "[    .    1    .    2]" 1 
        342 1  18 LEU HA   1  18 LEU MD2  . . 3.840 3.759 3.381 3.834     .  0 0 "[    .    1    .    2]" 1 
        343 1  18 LEU HA   1  18 LEU HG   . . 3.800 2.544 2.368 3.534     .  0 0 "[    .    1    .    2]" 1 
        344 1  18 LEU HB2  1  19 PHE H    . . 4.420 3.045 2.800 3.162     .  0 0 "[    .    1    .    2]" 1 
        345 1  18 LEU HB2  1 109 LEU MD1  . . 4.790 2.836 1.920 3.592     .  0 0 "[    .    1    .    2]" 1 
        346 1  18 LEU HB2  1 109 LEU MD2  . . 5.160 3.759 2.509 3.946     .  0 0 "[    .    1    .    2]" 1 
        347 1  18 LEU HB3  1  19 PHE H    . . 4.330 3.630 3.523 3.733     .  0 0 "[    .    1    .    2]" 1 
        348 1  18 LEU HB3  1  19 PHE QD   . . 4.070 3.525 2.916 4.068     .  0 0 "[    .    1    .    2]" 1 
        349 1  18 LEU HB3  1 109 LEU MD1  . . 4.730 2.261 1.795 3.020     .  0 0 "[    .    1    .    2]" 1 
        350 1  18 LEU HB3  1 109 LEU MD2  . . 4.840 2.615 2.239 2.992     .  0 0 "[    .    1    .    2]" 1 
        351 1  18 LEU QD   1  19 PHE QD   . . 4.410 4.043 3.830 4.379     .  0 0 "[    .    1    .    2]" 1 
        352 1  18 LEU QD   1 106 LYS H    . . 5.440 5.351 4.949 5.443 0.003 14 0 "[    .    1    .    2]" 1 
        353 1  18 LEU QD   1 106 LYS HA   . . 3.570 3.293 2.926 3.516     .  0 0 "[    .    1    .    2]" 1 
        354 1  18 LEU QD   1 109 LEU QB   . . 3.590 3.415 3.006 3.592 0.002 12 0 "[    .    1    .    2]" 1 
        355 1  18 LEU MD1  1  19 PHE H    . . 4.960 4.207 4.143 4.504     .  0 0 "[    .    1    .    2]" 1 
        356 1  18 LEU MD2  1  19 PHE H    . . 4.960 4.845 3.804 4.962 0.002  2 0 "[    .    1    .    2]" 1 
        357 1  18 LEU HG   1  19 PHE H    . . 5.350 5.279 5.209 5.355 0.005 10 0 "[    .    1    .    2]" 1 
        358 1  19 PHE H    1  19 PHE HB2  . . 3.750 2.125 2.037 2.260     .  0 0 "[    .    1    .    2]" 1 
        359 1  19 PHE H    1  19 PHE HB3  . . 3.750 3.428 3.369 3.517     .  0 0 "[    .    1    .    2]" 1 
        360 1  19 PHE H    1  19 PHE QD   . . 3.390 2.508 2.165 3.010     .  0 0 "[    .    1    .    2]" 1 
        361 1  19 PHE H    1  20 ASP H    . . 2.450 2.286 2.075 2.426     .  0 0 "[    .    1    .    2]" 1 
        362 1  19 PHE H    1  20 ASP HB2  . . 4.540 4.145 3.856 4.347     .  0 0 "[    .    1    .    2]" 1 
        363 1  19 PHE H    1  20 ASP HB3  . . 5.130 4.907 4.630 5.243 0.113  8 0 "[    .    1    .    2]" 1 
        364 1  19 PHE H    1  27 ILE MD   . . 4.310 4.134 3.867 4.312 0.002 13 0 "[    .    1    .    2]" 1 
        365 1  19 PHE H    1 109 LEU MD1  . . 5.500 4.845 3.684 5.408     .  0 0 "[    .    1    .    2]" 1 
        366 1  19 PHE H    1 109 LEU MD2  . . 5.500 4.784 3.781 5.165     .  0 0 "[    .    1    .    2]" 1 
        367 1  19 PHE HA   1  19 PHE QD   . . 4.070 3.024 2.711 3.148     .  0 0 "[    .    1    .    2]" 1 
        368 1  19 PHE HA   1  20 ASP H    . . 3.630 3.582 3.407 3.639 0.009 10 0 "[    .    1    .    2]" 1 
        369 1  19 PHE HA   1  27 ILE MD   . . 5.020 4.811 4.355 5.021 0.001 15 0 "[    .    1    .    2]" 1 
        370 1  19 PHE HA   1  35 VAL MG1  . . 4.060 3.229 2.005 4.022     .  0 0 "[    .    1    .    2]" 1 
        371 1  19 PHE HA   1  35 VAL QG   . . 3.360 2.241 1.700 2.928     .  0 0 "[    .    1    .    2]" 1 
        372 1  19 PHE HA   1  35 VAL MG2  . . 4.060 2.302 1.803 3.055     .  0 0 "[    .    1    .    2]" 1 
        373 1  19 PHE QB   1  20 ASP H    . . 3.220 2.578 2.248 3.178     .  0 0 "[    .    1    .    2]" 1 
        374 1  19 PHE QB   1  27 ILE MD   . . 3.430 2.288 1.917 2.597     .  0 0 "[    .    1    .    2]" 1 
        375 1  19 PHE QB   1  27 ILE MG   . . 3.810 2.757 2.299 3.261     .  0 0 "[    .    1    .    2]" 1 
        376 1  19 PHE HB2  1  20 ASP H    . . 4.000 2.671 2.306 3.340     .  0 0 "[    .    1    .    2]" 1 
        377 1  19 PHE HB2  1  27 ILE MD   . . 3.920 2.534 2.017 2.858     .  0 0 "[    .    1    .    2]" 1 
        378 1  19 PHE HB2  1  27 ILE MG   . . 4.630 3.879 3.295 4.480     .  0 0 "[    .    1    .    2]" 1 
        379 1  19 PHE HB3  1  20 ASP H    . . 4.000 3.412 3.023 4.004 0.004  1 0 "[    .    1    .    2]" 1 
        380 1  19 PHE HB3  1  27 ILE MD   . . 3.920 2.663 2.086 2.983     .  0 0 "[    .    1    .    2]" 1 
        381 1  19 PHE HB3  1  27 ILE MG   . . 4.630 2.824 2.330 3.354     .  0 0 "[    .    1    .    2]" 1 
        382 1  19 PHE QD   1  27 ILE MD   . . 4.240 3.713 3.307 4.199     .  0 0 "[    .    1    .    2]" 1 
        383 1  19 PHE QD   1  27 ILE MG   . . 4.900 3.721 2.794 4.080     .  0 0 "[    .    1    .    2]" 1 
        384 1  19 PHE QD   1  32 LEU QD   . . 4.050 2.449 1.869 3.574     .  0 0 "[    .    1    .    2]" 1 
        385 1  19 PHE QD   1  35 VAL MG1  . . 4.100 2.985 1.885 3.735     .  0 0 "[    .    1    .    2]" 1 
        386 1  19 PHE QD   1  35 VAL MG2  . . 4.100 2.687 1.903 3.505     .  0 0 "[    .    1    .    2]" 1 
        387 1  19 PHE QD   1 109 LEU MD1  . . 4.910 3.643 2.331 4.346     .  0 0 "[    .    1    .    2]" 1 
        388 1  19 PHE QE   1  32 LEU QD   . . 4.340 2.913 2.068 3.948     .  0 0 "[    .    1    .    2]" 1 
        389 1  19 PHE QE   1  35 VAL MG1  . . 4.390 2.710 2.169 3.210     .  0 0 "[    .    1    .    2]" 1 
        390 1  19 PHE QE   1  35 VAL QG   . . 3.310 2.646 2.164 3.069     .  0 0 "[    .    1    .    2]" 1 
        391 1  19 PHE QE   1  35 VAL MG2  . . 4.390 3.952 3.288 4.394 0.004 12 0 "[    .    1    .    2]" 1 
        392 1  19 PHE QE   1  36 MET ME   . . 4.730 4.137 3.001 4.731 0.001 11 0 "[    .    1    .    2]" 1 
        393 1  19 PHE QE   1 109 LEU MD1  . . 3.540 2.827 1.859 3.541 0.001 12 0 "[    .    1    .    2]" 1 
        394 1  19 PHE QE   1 109 LEU MD2  . . 4.040 2.955 1.904 3.792     .  0 0 "[    .    1    .    2]" 1 
        395 1  19 PHE HZ   1  35 VAL QG   . . 4.170 3.611 2.862 4.025     .  0 0 "[    .    1    .    2]" 1 
        396 1  19 PHE HZ   1  36 MET ME   . . 5.500 5.020 4.099 5.502 0.002  4 0 "[    .    1    .    2]" 1 
        397 1  19 PHE HZ   1  39 LEU MD1  . . 4.850 4.105 3.265 4.481     .  0 0 "[    .    1    .    2]" 1 
        398 1  19 PHE HZ   1  39 LEU QD   . . 3.990 3.805 3.206 3.991 0.001 17 0 "[    .    1    .    2]" 1 
        399 1  19 PHE HZ   1  39 LEU MD2  . . 4.850 4.577 3.841 4.849     .  0 0 "[    .    1    .    2]" 1 
        400 1  19 PHE HZ   1 109 LEU H    . . 5.500 5.325 4.526 5.504 0.004  1 0 "[    .    1    .    2]" 1 
        401 1  19 PHE HZ   1 109 LEU MD1  . . 4.640 4.232 2.349 4.641 0.001 11 0 "[    .    1    .    2]" 1 
        402 1  19 PHE HZ   1 109 LEU MD2  . . 4.190 3.208 2.163 4.192 0.002  6 0 "[    .    1    .    2]" 1 
        403 1  19 PHE HZ   1 109 LEU HG   . . 4.640 3.652 2.828 4.072     .  0 0 "[    .    1    .    2]" 1 
        404 1  20 ASP H    1  20 ASP HB2  . . 3.700 2.163 2.049 2.635     .  0 0 "[    .    1    .    2]" 1 
        405 1  20 ASP H    1  20 ASP HB3  . . 3.420 2.925 2.708 3.244     .  0 0 "[    .    1    .    2]" 1 
        406 1  20 ASP H    1  27 ILE MD   . . 4.600 3.523 2.805 4.385     .  0 0 "[    .    1    .    2]" 1 
        407 1  20 ASP HA   1  21 LYS H    . . 3.050 2.296 2.252 2.359     .  0 0 "[    .    1    .    2]" 1 
        408 1  20 ASP HA   1  21 LYS QB   . . 4.860 4.589 4.559 4.614     .  0 0 "[    .    1    .    2]" 1 
        409 1  20 ASP HA   1  22 ASP H    . . 4.600 4.556 4.310 4.613 0.013 18 0 "[    .    1    .    2]" 1 
        410 1  20 ASP HA   1  27 ILE MD   . . 4.750 3.953 3.415 4.761 0.011 11 0 "[    .    1    .    2]" 1 
        411 1  20 ASP HB3  1  21 LYS H    . . 4.320 3.824 3.608 4.306     .  0 0 "[    .    1    .    2]" 1 
        412 1  20 ASP HB3  1  21 LYS HA   . . 4.900 4.676 4.625 4.848     .  0 0 "[    .    1    .    2]" 1 
        413 1  21 LYS H    1  21 LYS QB   . . 3.120 2.504 2.474 2.523     .  0 0 "[    .    1    .    2]" 1 
        414 1  21 LYS H    1  21 LYS QD   . . 4.460 4.079 3.927 4.191     .  0 0 "[    .    1    .    2]" 1 
        415 1  21 LYS H    1  21 LYS QE   . . 4.830 4.073 3.305 4.823     .  0 0 "[    .    1    .    2]" 1 
        416 1  21 LYS H    1  21 LYS HG2  . . 3.710 2.182 2.025 2.379     .  0 0 "[    .    1    .    2]" 1 
        417 1  21 LYS H    1  21 LYS HG3  . . 3.620 3.122 2.810 3.233     .  0 0 "[    .    1    .    2]" 1 
        418 1  21 LYS H    1  22 ASP H    . . 3.380 2.593 2.508 2.723     .  0 0 "[    .    1    .    2]" 1 
        419 1  21 LYS H    1  23 ASN H    . . 4.670 3.217 3.139 3.556     .  0 0 "[    .    1    .    2]" 1 
        420 1  21 LYS H    1  31 GLU HB2  . . 4.840 4.782 4.439 4.843 0.003  1 0 "[    .    1    .    2]" 1 
        421 1  21 LYS H    1  31 GLU HB3  . . 4.020 3.612 3.276 3.779     .  0 0 "[    .    1    .    2]" 1 
        422 1  21 LYS H    1  31 GLU HG2  . . 4.820 4.376 3.627 4.821 0.001  1 0 "[    .    1    .    2]" 1 
        423 1  21 LYS HA   1  21 LYS QD   . . 3.240 2.951 2.552 3.275 0.035 11 0 "[    .    1    .    2]" 1 
        424 1  21 LYS HA   1  21 LYS QE   . . 4.610 3.331 1.882 4.625 0.015 12 0 "[    .    1    .    2]" 1 
        425 1  21 LYS HA   1  21 LYS HG2  . . 3.510 2.746 2.602 2.861     .  0 0 "[    .    1    .    2]" 1 
        426 1  21 LYS HA   1  21 LYS HG3  . . 3.880 3.803 3.759 3.831     .  0 0 "[    .    1    .    2]" 1 
        427 1  21 LYS HA   1  23 ASN H    . . 4.130 4.003 3.746 4.134 0.004 18 0 "[    .    1    .    2]" 1 
        428 1  21 LYS QB   1  22 ASP H    . . 3.240 2.123 2.098 2.200     .  0 0 "[    .    1    .    2]" 1 
        429 1  21 LYS QB   1  22 ASP QB   . . 5.180 3.582 3.493 3.927     .  0 0 "[    .    1    .    2]" 1 
        430 1  21 LYS QB   1  23 ASN H    . . 4.510 4.138 4.118 4.212     .  0 0 "[    .    1    .    2]" 1 
        431 1  21 LYS QB   1  31 GLU HG2  . . 4.390 3.591 3.322 4.375     .  0 0 "[    .    1    .    2]" 1 
        432 1  21 LYS QD   1  21 LYS HG2  . . 2.400 2.371 2.184 2.514 0.114 11 0 "[    .    1    .    2]" 1 
        433 1  21 LYS QD   1  22 ASP H    . . 5.200 4.944 4.827 5.065     .  0 0 "[    .    1    .    2]" 1 
        434 1  21 LYS QE   1  21 LYS HG2  . . 3.360 2.505 2.113 3.300     .  0 0 "[    .    1    .    2]" 1 
        435 1  21 LYS QE   1  21 LYS HG3  . . 3.390 2.859 2.075 3.361     .  0 0 "[    .    1    .    2]" 1 
        436 1  21 LYS QE   1  34 THR MG   . . 4.290 2.767 1.818 4.214     .  0 0 "[    .    1    .    2]" 1 
        437 1  21 LYS QE   1  35 VAL QG   . . 4.050 3.366 2.214 4.055 0.005 12 0 "[    .    1    .    2]" 1 
        438 1  21 LYS HG2  1  22 ASP H    . . 4.350 4.101 4.008 4.215     .  0 0 "[    .    1    .    2]" 1 
        439 1  21 LYS HG2  1  23 ASN H    . . 5.500 5.162 5.100 5.267     .  0 0 "[    .    1    .    2]" 1 
        440 1  21 LYS HG3  1  22 ASP H    . . 4.680 4.222 4.112 4.258     .  0 0 "[    .    1    .    2]" 1 
        441 1  22 ASP H    1  22 ASP HB2  . . 3.610 3.546 3.492 3.589     .  0 0 "[    .    1    .    2]" 1 
        442 1  22 ASP H    1  22 ASP QB   . . 3.100 2.550 2.445 2.633     .  0 0 "[    .    1    .    2]" 1 
        443 1  22 ASP H    1  22 ASP HB3  . . 3.610 2.615 2.493 2.715     .  0 0 "[    .    1    .    2]" 1 
        444 1  22 ASP H    1  24 ASN H    . . 4.450 4.208 3.965 4.503 0.053 11 0 "[    .    1    .    2]" 1 
        445 1  22 ASP H    1  31 GLU HG2  . . 5.300 5.184 4.139 5.303 0.003  2 0 "[    .    1    .    2]" 1 
        446 1  22 ASP QB   1  23 ASN H    . . 4.520 3.857 3.679 3.941     .  0 0 "[    .    1    .    2]" 1 
        447 1  22 ASP QB   1  24 ASN H    . . 4.720 4.178 3.131 4.472     .  0 0 "[    .    1    .    2]" 1 
        448 1  23 ASN H    1  23 ASN HA   . . 2.730 2.175 2.166 2.189     .  0 0 "[    .    1    .    2]" 1 
        449 1  23 ASN H    1  23 ASN HB2  . . 4.170 3.406 2.900 4.014     .  0 0 "[    .    1    .    2]" 1 
        450 1  23 ASN H    1  23 ASN QB   . . 3.540 3.032 2.786 3.436     .  0 0 "[    .    1    .    2]" 1 
        451 1  23 ASN H    1  23 ASN HB3  . . 4.170 3.596 3.133 4.071     .  0 0 "[    .    1    .    2]" 1 
        452 1  23 ASN H    1  24 ASN H    . . 3.380 2.894 2.675 3.103     .  0 0 "[    .    1    .    2]" 1 
        453 1  23 ASN H    1  25 GLY H    . . 4.760 4.493 4.274 4.676     .  0 0 "[    .    1    .    2]" 1 
        454 1  23 ASN HA   1  24 ASN H    . . 3.310 2.697 2.619 2.863     .  0 0 "[    .    1    .    2]" 1 
        455 1  23 ASN HA   1  25 GLY H    . . 4.410 3.234 2.915 3.466     .  0 0 "[    .    1    .    2]" 1 
        456 1  23 ASN QB   1  24 ASN H    . . 4.390 4.020 3.941 4.070     .  0 0 "[    .    1    .    2]" 1 
        457 1  23 ASN QB   1  25 GLY H    . . 5.340 4.697 4.056 5.169     .  0 0 "[    .    1    .    2]" 1 
        458 1  24 ASN H    1  24 ASN HB2  . . 3.880 3.477 2.515 3.642     .  0 0 "[    .    1    .    2]" 1 
        459 1  24 ASN H    1  24 ASN QB   . . 3.310 2.723 2.466 2.805     .  0 0 "[    .    1    .    2]" 1 
        460 1  24 ASN H    1  24 ASN HB3  . . 3.880 2.928 2.783 3.551     .  0 0 "[    .    1    .    2]" 1 
        461 1  24 ASN H    1  24 ASN QD   . . 4.880 3.750 3.322 3.952     .  0 0 "[    .    1    .    2]" 1 
        462 1  24 ASN H    1  25 GLY H    . . 3.170 2.236 2.006 2.651     .  0 0 "[    .    1    .    2]" 1 
        463 1  24 ASN H    1  25 GLY QA   . . 4.670 4.226 4.019 4.572     .  0 0 "[    .    1    .    2]" 1 
        464 1  24 ASN H    1  26 SER H    . . 3.880 3.569 3.182 3.799     .  0 0 "[    .    1    .    2]" 1 
        465 1  24 ASN QB   1  26 SER H    . . 4.500 3.320 2.776 3.669     .  0 0 "[    .    1    .    2]" 1 
        466 1  24 ASN HB2  1  25 GLY H    . . 4.930 3.926 3.214 4.110     .  0 0 "[    .    1    .    2]" 1 
        467 1  24 ASN HB3  1  25 GLY H    . . 4.930 4.218 4.112 4.382     .  0 0 "[    .    1    .    2]" 1 
        468 1  25 GLY H    1  26 SER H    . . 3.020 2.377 2.040 2.599     .  0 0 "[    .    1    .    2]" 1 
        469 1  26 SER H    1  26 SER HB2  . . 3.870 3.207 2.855 3.882 0.012 12 0 "[    .    1    .    2]" 1 
        470 1  26 SER H    1  26 SER QB   . . 3.240 2.954 2.774 3.250 0.010 12 0 "[    .    1    .    2]" 1 
        471 1  26 SER H    1  26 SER HB3  . . 3.870 3.627 3.304 3.910 0.040 11 0 "[    .    1    .    2]" 1 
        472 1  26 SER H    1  27 ILE H    . . 4.690 4.411 4.288 4.511     .  0 0 "[    .    1    .    2]" 1 
        473 1  26 SER HA   1  27 ILE H    . . 3.280 2.316 2.220 2.603     .  0 0 "[    .    1    .    2]" 1 
        474 1  26 SER HA   1  27 ILE HG12 . . 5.110 4.907 4.621 5.117 0.007 11 0 "[    .    1    .    2]" 1 
        475 1  26 SER HA   1  27 ILE QG   . . 4.330 3.328 3.101 3.590     .  0 0 "[    .    1    .    2]" 1 
        476 1  26 SER HA   1  27 ILE HG13 . . 5.110 3.387 3.141 3.669     .  0 0 "[    .    1    .    2]" 1 
        477 1  26 SER HA   1  62 GLN HB3  . . 5.190 4.105 3.530 4.930     .  0 0 "[    .    1    .    2]" 1 
        478 1  26 SER HA   1  63 ILE H    . . 4.670 3.901 3.582 4.341     .  0 0 "[    .    1    .    2]" 1 
        479 1  26 SER HA   1  64 GLU H    . . 5.500 4.975 4.610 5.292     .  0 0 "[    .    1    .    2]" 1 
        480 1  26 SER HA   1  64 GLU HA   . . 3.860 3.129 2.661 3.413     .  0 0 "[    .    1    .    2]" 1 
        481 1  26 SER HA   1  64 GLU HG2  . . 5.500 4.915 3.793 5.500     .  0 0 "[    .    1    .    2]" 1 
        482 1  26 SER HA   1  64 GLU HG3  . . 4.970 4.012 2.679 4.959     .  0 0 "[    .    1    .    2]" 1 
        483 1  26 SER HA   1  65 PHE H    . . 4.970 4.911 4.534 4.973 0.003  4 0 "[    .    1    .    2]" 1 
        484 1  26 SER QB   1  27 ILE H    . . 3.700 3.025 2.227 3.333     .  0 0 "[    .    1    .    2]" 1 
        485 1  26 SER QB   1  62 GLN HB2  . . 3.980 3.666 3.332 3.974     .  0 0 "[    .    1    .    2]" 1 
        486 1  26 SER QB   1  62 GLN HB3  . . 3.750 2.185 1.969 2.486     .  0 0 "[    .    1    .    2]" 1 
        487 1  26 SER QB   1  62 GLN QE   . . 4.240 3.709 3.147 4.239     .  0 0 "[    .    1    .    2]" 1 
        488 1  26 SER QB   1  63 ILE H    . . 4.290 3.632 2.854 4.091     .  0 0 "[    .    1    .    2]" 1 
        489 1  26 SER QB   1  64 GLU HA   . . 4.840 3.886 3.316 4.286     .  0 0 "[    .    1    .    2]" 1 
        490 1  26 SER QB   1  64 GLU HG3  . . 4.510 3.531 2.452 4.504     .  0 0 "[    .    1    .    2]" 1 
        491 1  26 SER HB2  1  27 ILE H    . . 4.240 3.512 2.248 4.017     .  0 0 "[    .    1    .    2]" 1 
        492 1  26 SER HB2  1  62 GLN HB2  . . 4.820 4.505 3.831 4.822 0.002 20 0 "[    .    1    .    2]" 1 
        493 1  26 SER HB2  1  62 GLN HB3  . . 4.370 2.827 2.132 3.194     .  0 0 "[    .    1    .    2]" 1 
        494 1  26 SER HB2  1  62 GLN HG3  . . 5.500 5.064 4.461 5.493     .  0 0 "[    .    1    .    2]" 1 
        495 1  26 SER HB2  1  63 ILE H    . . 4.880 4.402 2.889 4.880 0.000  4 0 "[    .    1    .    2]" 1 
        496 1  26 SER HB3  1  27 ILE H    . . 4.240 3.456 2.503 4.071     .  0 0 "[    .    1    .    2]" 1 
        497 1  26 SER HB3  1  62 GLN HB2  . . 4.820 3.967 3.428 4.499     .  0 0 "[    .    1    .    2]" 1 
        498 1  26 SER HB3  1  62 GLN HB3  . . 4.370 2.413 1.996 2.903     .  0 0 "[    .    1    .    2]" 1 
        499 1  26 SER HB3  1  62 GLN HG3  . . 5.500 5.216 4.777 5.501 0.001 12 0 "[    .    1    .    2]" 1 
        500 1  26 SER HB3  1  63 ILE H    . . 4.880 4.080 3.115 4.876     .  0 0 "[    .    1    .    2]" 1 
        501 1  27 ILE H    1  27 ILE HB   . . 3.580 2.594 2.473 2.726     .  0 0 "[    .    1    .    2]" 1 
        502 1  27 ILE H    1  27 ILE MD   . . 3.790 3.632 3.401 3.797 0.007 11 0 "[    .    1    .    2]" 1 
        503 1  27 ILE H    1  27 ILE QG   . . 3.830 2.484 2.137 2.935     .  0 0 "[    .    1    .    2]" 1 
        504 1  27 ILE H    1  27 ILE MG   . . 4.270 3.817 3.771 3.882     .  0 0 "[    .    1    .    2]" 1 
        505 1  27 ILE H    1  28 SER H    . . 4.970 4.500 4.424 4.580     .  0 0 "[    .    1    .    2]" 1 
        506 1  27 ILE H    1  62 GLN HA   . . 4.680 3.776 3.236 4.181     .  0 0 "[    .    1    .    2]" 1 
        507 1  27 ILE H    1  63 ILE H    . . 3.860 2.270 1.975 2.637     .  0 0 "[    .    1    .    2]" 1 
        508 1  27 ILE H    1  63 ILE HB   . . 3.970 2.812 2.534 3.058     .  0 0 "[    .    1    .    2]" 1 
        509 1  27 ILE H    1  63 ILE MD   . . 5.140 4.652 4.223 4.856     .  0 0 "[    .    1    .    2]" 1 
        510 1  27 ILE H    1  63 ILE MG   . . 4.290 4.129 3.891 4.299 0.009  8 0 "[    .    1    .    2]" 1 
        511 1  27 ILE H    1  64 GLU HA   . . 4.720 4.497 3.940 4.726 0.006  1 0 "[    .    1    .    2]" 1 
        512 1  27 ILE HA   1  27 ILE MD   . . 4.570 3.897 3.818 3.922     .  0 0 "[    .    1    .    2]" 1 
        513 1  27 ILE HA   1  28 SER H    . . 3.090 2.272 2.201 2.315     .  0 0 "[    .    1    .    2]" 1 
        514 1  27 ILE HB   1  28 SER H    . . 4.640 3.991 3.831 4.219     .  0 0 "[    .    1    .    2]" 1 
        515 1  27 ILE HB   1  63 ILE H    . . 4.530 3.326 3.040 3.723     .  0 0 "[    .    1    .    2]" 1 
        516 1  27 ILE HB   1  63 ILE HB   . . 3.760 2.351 2.015 2.655     .  0 0 "[    .    1    .    2]" 1 
        517 1  27 ILE HB   1  63 ILE MG   . . 4.010 3.773 3.347 4.011 0.001 19 0 "[    .    1    .    2]" 1 
        518 1  27 ILE MD   1  27 ILE MG   . . 3.390 2.172 1.902 2.386     .  0 0 "[    .    1    .    2]" 1 
        519 1  27 ILE MD   1  28 SER H    . . 5.100 5.049 4.954 5.106 0.006  1 0 "[    .    1    .    2]" 1 
        520 1  27 ILE MD   1  32 LEU HB2  . . 4.850 4.710 4.508 4.855 0.005  6 0 "[    .    1    .    2]" 1 
        521 1  27 ILE MD   1  52 MET ME   . . 5.000 4.899 4.618 5.002 0.002 18 0 "[    .    1    .    2]" 1 
        522 1  27 ILE MD   1  63 ILE H    . . 5.040 4.668 4.401 4.906     .  0 0 "[    .    1    .    2]" 1 
        523 1  27 ILE MD   1  63 ILE HB   . . 4.230 3.000 2.652 3.219     .  0 0 "[    .    1    .    2]" 1 
        524 1  27 ILE MD   1  63 ILE MD   . . 5.180 5.071 4.735 5.181 0.001  2 0 "[    .    1    .    2]" 1 
        525 1  27 ILE MD   1  63 ILE MG   . . 3.400 3.183 2.637 3.399     .  0 0 "[    .    1    .    2]" 1 
        526 1  27 ILE MD   1  68 PHE QD   . . 4.170 3.303 2.196 4.160     .  0 0 "[    .    1    .    2]" 1 
        527 1  27 ILE QG   1  27 ILE MG   . . 3.270 2.272 2.119 2.452     .  0 0 "[    .    1    .    2]" 1 
        528 1  27 ILE QG   1  28 SER H    . . 4.470 4.205 4.020 4.296     .  0 0 "[    .    1    .    2]" 1 
        529 1  27 ILE HG12 1  28 SER H    . . 5.320 4.523 4.301 4.626     .  0 0 "[    .    1    .    2]" 1 
        530 1  27 ILE HG13 1  28 SER H    . . 5.320 5.001 4.831 5.204     .  0 0 "[    .    1    .    2]" 1 
        531 1  27 ILE MG   1  28 SER H    . . 3.800 2.242 2.020 2.551     .  0 0 "[    .    1    .    2]" 1 
        532 1  27 ILE MG   1  31 GLU H    . . 4.400 4.218 3.747 4.401 0.001 12 0 "[    .    1    .    2]" 1 
        533 1  27 ILE MG   1  31 GLU HB2  . . 4.180 2.618 2.082 3.053     .  0 0 "[    .    1    .    2]" 1 
        534 1  27 ILE MG   1  31 GLU HB3  . . 3.950 3.302 2.905 3.950 0.000 12 0 "[    .    1    .    2]" 1 
        535 1  27 ILE MG   1  32 LEU H    . . 3.340 3.186 2.485 3.343 0.003  2 0 "[    .    1    .    2]" 1 
        536 1  27 ILE MG   1  32 LEU HA   . . 4.070 3.145 2.713 3.638     .  0 0 "[    .    1    .    2]" 1 
        537 1  27 ILE MG   1  32 LEU HB2  . . 4.070 2.348 2.004 2.594     .  0 0 "[    .    1    .    2]" 1 
        538 1  27 ILE MG   1  32 LEU HB3  . . 3.980 3.809 3.523 3.984 0.004  4 0 "[    .    1    .    2]" 1 
        539 1  27 ILE MG   1  32 LEU HG   . . 4.680 3.879 2.580 4.567     .  0 0 "[    .    1    .    2]" 1 
        540 1  28 SER H    1  28 SER HB2  . . 4.180 3.251 2.528 3.733     .  0 0 "[    .    1    .    2]" 1 
        541 1  28 SER H    1  28 SER QB   . . 3.530 2.562 2.292 2.973     .  0 0 "[    .    1    .    2]" 1 
        542 1  28 SER H    1  28 SER HB3  . . 4.180 2.794 2.337 3.754     .  0 0 "[    .    1    .    2]" 1 
        543 1  28 SER H    1  29 SER H    . . 5.500 4.515 4.498 4.540     .  0 0 "[    .    1    .    2]" 1 
        544 1  28 SER H    1  31 GLU H    . . 4.370 3.448 3.069 3.656     .  0 0 "[    .    1    .    2]" 1 
        545 1  28 SER H    1  31 GLU HA   . . 5.500 5.119 4.870 5.339     .  0 0 "[    .    1    .    2]" 1 
        546 1  28 SER H    1  31 GLU HB2  . . 3.420 2.220 1.954 2.424     .  0 0 "[    .    1    .    2]" 1 
        547 1  28 SER H    1  31 GLU HB3  . . 3.980 3.804 3.532 3.982 0.002  1 0 "[    .    1    .    2]" 1 
        548 1  28 SER H    1  32 LEU H    . . 4.800 3.795 3.457 4.111     .  0 0 "[    .    1    .    2]" 1 
        549 1  28 SER HA   1  29 SER H    . . 2.780 2.463 2.334 2.695     .  0 0 "[    .    1    .    2]" 1 
        550 1  28 SER HA   1  32 LEU H    . . 5.250 4.982 4.724 5.215     .  0 0 "[    .    1    .    2]" 1 
        551 1  28 SER QB   1  29 SER H    . . 3.390 3.000 2.181 3.393 0.003 11 0 "[    .    1    .    2]" 1 
        552 1  28 SER QB   1  31 GLU H    . . 4.870 2.930 2.254 3.635     .  0 0 "[    .    1    .    2]" 1 
        553 1  28 SER QB   1  31 GLU HG3  . . 4.800 3.321 2.426 4.652     .  0 0 "[    .    1    .    2]" 1 
        554 1  28 SER HB2  1  29 SER H    . . 4.080 3.371 2.197 4.082 0.002  5 0 "[    .    1    .    2]" 1 
        555 1  28 SER HB3  1  29 SER H    . . 4.080 3.709 2.314 4.082 0.002 11 0 "[    .    1    .    2]" 1 
        556 1  29 SER H    1  29 SER HB2  . . 3.370 3.256 2.925 3.379 0.009 10 0 "[    .    1    .    2]" 1 
        557 1  29 SER H    1  29 SER HB3  . . 3.370 2.182 2.047 3.221     .  0 0 "[    .    1    .    2]" 1 
        558 1  29 SER H    1  30 SER H    . . 4.550 2.731 2.307 3.062     .  0 0 "[    .    1    .    2]" 1 
        559 1  29 SER H    1  32 LEU H    . . 5.130 4.647 4.409 4.770     .  0 0 "[    .    1    .    2]" 1 
        560 1  29 SER H    1  48 VAL MG1  . . 4.810 4.164 3.952 4.491     .  0 0 "[    .    1    .    2]" 1 
        561 1  29 SER H    1  52 MET ME   . . 3.660 2.861 2.396 3.618     .  0 0 "[    .    1    .    2]" 1 
        562 1  29 SER H    1  52 MET QG   . . 5.070 3.567 2.748 4.934     .  0 0 "[    .    1    .    2]" 1 
        563 1  29 SER HA   1  32 LEU H    . . 3.590 3.456 3.171 3.591 0.001 13 0 "[    .    1    .    2]" 1 
        564 1  29 SER HA   1  32 LEU HB2  . . 3.760 3.204 2.821 3.601     .  0 0 "[    .    1    .    2]" 1 
        565 1  29 SER HA   1  32 LEU HB3  . . 4.010 2.576 2.243 3.128     .  0 0 "[    .    1    .    2]" 1 
        566 1  29 SER HA   1  48 VAL MG1  . . 3.790 2.051 1.919 2.323     .  0 0 "[    .    1    .    2]" 1 
        567 1  29 SER HA   1  52 MET ME   . . 3.330 3.269 2.910 3.340 0.010 13 0 "[    .    1    .    2]" 1 
        568 1  29 SER HA   1  52 MET QG   . . 4.500 2.758 2.344 3.517     .  0 0 "[    .    1    .    2]" 1 
        569 1  29 SER QB   1  30 SER H    . . 3.530 3.327 3.070 3.530     .  0 0 "[    .    1    .    2]" 1 
        570 1  29 SER QB   1  48 VAL MG1  . . 3.150 2.074 1.753 2.665     .  0 0 "[    .    1    .    2]" 1 
        571 1  29 SER QB   1  52 MET ME   . . 3.300 3.166 2.722 3.314 0.014  6 0 "[    .    1    .    2]" 1 
        572 1  29 SER HB2  1  48 VAL MG1  . . 3.780 2.125 1.877 3.015     .  0 0 "[    .    1    .    2]" 1 
        573 1  29 SER HB2  1  52 MET QB   . . 4.640 3.875 3.461 4.643 0.003  2 0 "[    .    1    .    2]" 1 
        574 1  29 SER HB2  1  52 MET QG   . . 4.530 2.353 1.953 3.666     .  0 0 "[    .    1    .    2]" 1 
        575 1  29 SER HB3  1  48 VAL MG1  . . 3.780 3.298 1.877 3.770     .  0 0 "[    .    1    .    2]" 1 
        576 1  29 SER HB3  1  52 MET QB   . . 4.640 3.848 3.075 4.621     .  0 0 "[    .    1    .    2]" 1 
        577 1  29 SER HB3  1  52 MET QG   . . 4.530 2.699 1.980 4.104     .  0 0 "[    .    1    .    2]" 1 
        578 1  30 SER H    1  30 SER HB2  . . 4.050 2.717 2.140 3.580     .  0 0 "[    .    1    .    2]" 1 
        579 1  30 SER H    1  30 SER QB   . . 3.420 2.357 2.120 2.747     .  0 0 "[    .    1    .    2]" 1 
        580 1  30 SER H    1  30 SER HB3  . . 4.050 2.981 2.260 3.565     .  0 0 "[    .    1    .    2]" 1 
        581 1  30 SER H    1  31 GLU H    . . 4.580 2.709 2.288 3.003     .  0 0 "[    .    1    .    2]" 1 
        582 1  30 SER H    1  31 GLU HG3  . . 5.270 4.474 3.781 5.032     .  0 0 "[    .    1    .    2]" 1 
        583 1  30 SER HA   1  33 ALA H    . . 4.250 3.524 3.185 3.908     .  0 0 "[    .    1    .    2]" 1 
        584 1  30 SER HA   1  33 ALA MB   . . 3.390 2.860 2.592 3.187     .  0 0 "[    .    1    .    2]" 1 
        585 1  30 SER HA   1  48 VAL MG2  . . 5.390 4.552 3.848 5.240     .  0 0 "[    .    1    .    2]" 1 
        586 1  30 SER QB   1  31 GLU H    . . 3.580 2.597 2.076 3.454     .  0 0 "[    .    1    .    2]" 1 
        587 1  30 SER HB2  1  31 GLU H    . . 4.120 3.133 2.171 3.833     .  0 0 "[    .    1    .    2]" 1 
        588 1  30 SER HB3  1  31 GLU H    . . 4.120 3.182 2.093 4.073     .  0 0 "[    .    1    .    2]" 1 
        589 1  31 GLU H    1  31 GLU HB2  . . 3.290 2.449 2.306 2.539     .  0 0 "[    .    1    .    2]" 1 
        590 1  31 GLU H    1  31 GLU HB3  . . 3.640 3.551 3.521 3.589     .  0 0 "[    .    1    .    2]" 1 
        591 1  31 GLU H    1  31 GLU HG2  . . 3.770 3.518 3.280 3.771 0.001  6 0 "[    .    1    .    2]" 1 
        592 1  31 GLU H    1  31 GLU HG3  . . 3.360 2.173 1.966 2.420     .  0 0 "[    .    1    .    2]" 1 
        593 1  31 GLU H    1  32 LEU H    . . 3.660 2.639 2.304 2.782     .  0 0 "[    .    1    .    2]" 1 
        594 1  31 GLU H    1  32 LEU HB2  . . 4.900 4.726 4.296 4.900 0.000  5 0 "[    .    1    .    2]" 1 
        595 1  31 GLU H    1  32 LEU HB3  . . 5.170 5.038 4.539 5.177 0.007  1 0 "[    .    1    .    2]" 1 
        596 1  31 GLU HA   1  31 GLU HB3  . . 2.880 2.537 2.477 2.620     .  0 0 "[    .    1    .    2]" 1 
        597 1  31 GLU HA   1  31 GLU HG2  . . 2.850 2.610 2.364 2.786     .  0 0 "[    .    1    .    2]" 1 
        598 1  31 GLU HA   1  31 GLU HG3  . . 3.170 2.818 2.586 3.049     .  0 0 "[    .    1    .    2]" 1 
        599 1  31 GLU HA   1  34 THR H    . . 4.400 3.412 3.160 3.853     .  0 0 "[    .    1    .    2]" 1 
        600 1  31 GLU HA   1  34 THR HB   . . 4.320 2.412 2.126 3.165     .  0 0 "[    .    1    .    2]" 1 
        601 1  31 GLU HA   1  34 THR MG   . . 4.090 3.476 2.868 3.762     .  0 0 "[    .    1    .    2]" 1 
        602 1  31 GLU HB2  1  32 LEU H    . . 3.560 2.953 2.570 3.275     .  0 0 "[    .    1    .    2]" 1 
        603 1  31 GLU HB3  1  31 GLU HG2  . . 2.550 2.423 2.343 2.543     .  0 0 "[    .    1    .    2]" 1 
        604 1  31 GLU HB3  1  32 LEU H    . . 4.140 3.904 3.573 4.143 0.003  4 0 "[    .    1    .    2]" 1 
        605 1  31 GLU HG2  1  32 LEU H    . . 5.250 5.209 4.970 5.252 0.002 14 0 "[    .    1    .    2]" 1 
        606 1  31 GLU HG3  1  32 LEU H    . . 4.710 4.440 4.142 4.606     .  0 0 "[    .    1    .    2]" 1 
        607 1  32 LEU H    1  32 LEU HB2  . . 3.250 2.354 2.083 2.518     .  0 0 "[    .    1    .    2]" 1 
        608 1  32 LEU H    1  32 LEU HB3  . . 3.200 2.589 2.437 2.863     .  0 0 "[    .    1    .    2]" 1 
        609 1  32 LEU H    1  32 LEU MD1  . . 4.310 4.053 3.812 4.255     .  0 0 "[    .    1    .    2]" 1 
        610 1  32 LEU H    1  32 LEU MD2  . . 4.310 4.118 3.583 4.275     .  0 0 "[    .    1    .    2]" 1 
        611 1  32 LEU H    1  32 LEU HG   . . 4.480 4.445 4.357 4.517 0.037  1 0 "[    .    1    .    2]" 1 
        612 1  32 LEU H    1  33 ALA H    . . 2.760 2.606 2.440 2.779 0.019  1 0 "[    .    1    .    2]" 1 
        613 1  32 LEU HA   1  32 LEU MD1  . . 3.960 2.671 1.947 3.881     .  0 0 "[    .    1    .    2]" 1 
        614 1  32 LEU HA   1  32 LEU QD   . . 3.150 2.243 1.886 2.749     .  0 0 "[    .    1    .    2]" 1 
        615 1  32 LEU HA   1  32 LEU MD2  . . 3.960 3.302 1.979 3.912     .  0 0 "[    .    1    .    2]" 1 
        616 1  32 LEU HA   1  32 LEU HG   . . 3.790 2.870 2.376 3.673     .  0 0 "[    .    1    .    2]" 1 
        617 1  32 LEU HA   1  35 VAL H    . . 3.970 3.429 3.186 3.674     .  0 0 "[    .    1    .    2]" 1 
        618 1  32 LEU HA   1  35 VAL HB   . . 4.350 3.303 2.744 3.990     .  0 0 "[    .    1    .    2]" 1 
        619 1  32 LEU HA   1  35 VAL QG   . . 4.960 2.754 1.950 3.517     .  0 0 "[    .    1    .    2]" 1 
        620 1  32 LEU HB2  1  33 ALA H    . . 3.800 3.730 3.471 3.806 0.006 17 0 "[    .    1    .    2]" 1 
        621 1  32 LEU HB3  1  33 ALA H    . . 3.630 2.524 2.330 2.776     .  0 0 "[    .    1    .    2]" 1 
        622 1  32 LEU HB3  1  34 THR H    . . 5.030 4.805 4.498 5.025     .  0 0 "[    .    1    .    2]" 1 
        623 1  32 LEU QD   1  33 ALA H    . . 4.420 3.676 2.802 4.136     .  0 0 "[    .    1    .    2]" 1 
        624 1  32 LEU QD   1  35 VAL H    . . 4.970 4.178 3.393 4.864     .  0 0 "[    .    1    .    2]" 1 
        625 1  32 LEU QD   1  35 VAL QG   . . 3.280 3.109 2.448 3.283 0.003  3 0 "[    .    1    .    2]" 1 
        626 1  32 LEU QD   1  36 MET H    . . 5.020 4.209 3.261 5.020     .  0 0 "[    .    1    .    2]" 1 
        627 1  32 LEU QD   1  52 MET ME   . . 3.580 3.333 2.603 3.584 0.004 10 0 "[    .    1    .    2]" 1 
        628 1  32 LEU MD1  1  33 ALA H    . . 5.080 4.486 3.692 4.964     .  0 0 "[    .    1    .    2]" 1 
        629 1  32 LEU MD2  1  33 ALA H    . . 5.080 4.004 2.842 4.891     .  0 0 "[    .    1    .    2]" 1 
        630 1  32 LEU HG   1  33 ALA H    . . 4.930 4.409 3.707 4.936 0.006  1 0 "[    .    1    .    2]" 1 
        631 1  32 LEU HG   1  35 VAL QG   . . 4.760 4.308 3.574 4.776 0.016  6 0 "[    .    1    .    2]" 1 
        632 1  33 ALA H    1  33 ALA MB   . . 3.110 2.122 1.948 2.163     .  0 0 "[    .    1    .    2]" 1 
        633 1  33 ALA H    1  34 THR H    . . 3.650 2.676 2.539 2.915     .  0 0 "[    .    1    .    2]" 1 
        634 1  33 ALA H    1  48 VAL MG1  . . 3.680 3.147 2.876 3.321     .  0 0 "[    .    1    .    2]" 1 
        635 1  33 ALA H    1  48 VAL MG2  . . 4.520 3.697 3.405 3.924     .  0 0 "[    .    1    .    2]" 1 
        636 1  33 ALA HA   1  36 MET H    . . 4.240 2.985 2.754 3.266     .  0 0 "[    .    1    .    2]" 1 
        637 1  33 ALA HA   1  36 MET HB2  . . 3.540 2.529 2.097 3.030     .  0 0 "[    .    1    .    2]" 1 
        638 1  33 ALA HA   1  36 MET HB3  . . 4.380 4.003 3.580 4.389 0.009  6 0 "[    .    1    .    2]" 1 
        639 1  33 ALA HA   1  36 MET HG2  . . 4.350 3.030 2.002 3.750     .  0 0 "[    .    1    .    2]" 1 
        640 1  33 ALA HA   1  36 MET QG   . . 3.770 2.314 1.917 2.844     .  0 0 "[    .    1    .    2]" 1 
        641 1  33 ALA HA   1  36 MET HG3  . . 4.350 2.539 1.995 3.191     .  0 0 "[    .    1    .    2]" 1 
        642 1  33 ALA HA   1  37 ARG H    . . 4.200 4.080 3.897 4.203 0.003 10 0 "[    .    1    .    2]" 1 
        643 1  33 ALA HA   1  43 PRO QD   . . 5.060 3.198 2.397 3.889     .  0 0 "[    .    1    .    2]" 1 
        644 1  33 ALA HA   1  48 VAL MG2  . . 3.410 3.345 3.134 3.417 0.007  6 0 "[    .    1    .    2]" 1 
        645 1  33 ALA MB   1  34 THR H    . . 3.430 2.760 2.499 3.015     .  0 0 "[    .    1    .    2]" 1 
        646 1  33 ALA MB   1  34 THR HA   . . 4.470 3.865 3.804 3.930     .  0 0 "[    .    1    .    2]" 1 
        647 1  33 ALA MB   1  35 VAL H    . . 5.220 4.401 4.236 4.653     .  0 0 "[    .    1    .    2]" 1 
        648 1  33 ALA MB   1  48 VAL HB   . . 4.780 3.812 3.530 4.079     .  0 0 "[    .    1    .    2]" 1 
        649 1  33 ALA MB   1  48 VAL MG1  . . 2.980 2.824 2.475 2.983 0.003 10 0 "[    .    1    .    2]" 1 
        650 1  33 ALA MB   1  48 VAL MG2  . . 2.980 2.040 1.898 2.180     .  0 0 "[    .    1    .    2]" 1 
        651 1  34 THR H    1  34 THR HB   . . 3.200 2.172 2.032 2.529     .  0 0 "[    .    1    .    2]" 1 
        652 1  34 THR H    1  34 THR MG   . . 3.940 3.554 2.851 3.685     .  0 0 "[    .    1    .    2]" 1 
        653 1  34 THR H    1  35 VAL H    . . 3.720 2.678 2.425 2.842     .  0 0 "[    .    1    .    2]" 1 
        654 1  34 THR H    1  35 VAL HB   . . 5.220 4.859 4.411 5.221 0.001  1 0 "[    .    1    .    2]" 1 
        655 1  34 THR H    1  35 VAL QG   . . 4.780 3.991 3.387 4.461     .  0 0 "[    .    1    .    2]" 1 
        656 1  34 THR H    1  48 VAL MG2  . . 5.500 5.457 5.173 5.512 0.012  4 0 "[    .    1    .    2]" 1 
        657 1  34 THR HA   1  34 THR MG   . . 3.270 2.635 2.350 3.148     .  0 0 "[    .    1    .    2]" 1 
        658 1  34 THR HA   1  37 ARG H    . . 4.100 3.710 3.563 3.937     .  0 0 "[    .    1    .    2]" 1 
        659 1  34 THR HA   1  37 ARG QB   . . 3.990 3.794 3.540 3.990     .  0 0 "[    .    1    .    2]" 1 
        660 1  34 THR HA   1  37 ARG HD2  . . 4.850 2.864 2.002 4.536     .  0 0 "[    .    1    .    2]" 1 
        661 1  34 THR HA   1  37 ARG QD   . . 4.140 2.483 1.955 3.143     .  0 0 "[    .    1    .    2]" 1 
        662 1  34 THR HA   1  37 ARG HD3  . . 4.850 3.183 2.120 4.223     .  0 0 "[    .    1    .    2]" 1 
        663 1  34 THR HA   1  37 ARG HG2  . . 5.020 2.143 2.000 2.479     .  0 0 "[    .    1    .    2]" 1 
        664 1  34 THR HA   1  37 ARG HG3  . . 5.020 3.522 3.252 3.716     .  0 0 "[    .    1    .    2]" 1 
        665 1  34 THR HB   1  35 VAL H    . . 3.620 3.191 2.948 3.638 0.018  4 0 "[    .    1    .    2]" 1 
        666 1  34 THR HB   1  35 VAL QG   . . 4.980 3.525 3.097 4.118     .  0 0 "[    .    1    .    2]" 1 
        667 1  34 THR MG   1  35 VAL H    . . 4.120 3.430 1.966 4.102     .  0 0 "[    .    1    .    2]" 1 
        668 1  34 THR MG   1  35 VAL HA   . . 4.600 3.505 3.026 4.196     .  0 0 "[    .    1    .    2]" 1 
        669 1  34 THR MG   1  35 VAL QG   . . 4.130 3.021 1.878 3.863     .  0 0 "[    .    1    .    2]" 1 
        670 1  34 THR MG   1  38 SER H    . . 5.070 5.018 4.904 5.077 0.007  4 0 "[    .    1    .    2]" 1 
        671 1  34 THR MG   1  38 SER QB   . . 4.580 4.439 4.154 4.581 0.001 13 0 "[    .    1    .    2]" 1 
        672 1  35 VAL H    1  35 VAL HB   . . 3.310 2.372 2.141 2.710     .  0 0 "[    .    1    .    2]" 1 
        673 1  35 VAL H    1  35 VAL MG1  . . 4.110 3.675 3.582 3.742     .  0 0 "[    .    1    .    2]" 1 
        674 1  35 VAL H    1  35 VAL QG   . . 3.220 2.330 1.890 2.727     .  0 0 "[    .    1    .    2]" 1 
        675 1  35 VAL H    1  35 VAL MG2  . . 4.110 2.368 1.895 2.827     .  0 0 "[    .    1    .    2]" 1 
        676 1  35 VAL H    1  36 MET H    . . 3.620 2.369 2.284 2.514     .  0 0 "[    .    1    .    2]" 1 
        677 1  35 VAL H    1  36 MET QG   . . 4.870 3.909 3.491 4.367     .  0 0 "[    .    1    .    2]" 1 
        678 1  35 VAL H    1  37 ARG H    . . 4.540 4.195 3.947 4.538     .  0 0 "[    .    1    .    2]" 1 
        679 1  35 VAL HA   1  35 VAL MG1  . . 3.550 2.419 2.132 2.625     .  0 0 "[    .    1    .    2]" 1 
        680 1  35 VAL HA   1  35 VAL QG   . . 3.090 2.086 1.991 2.164     .  0 0 "[    .    1    .    2]" 1 
        681 1  35 VAL HA   1  35 VAL MG2  . . 3.550 2.333 2.070 2.580     .  0 0 "[    .    1    .    2]" 1 
        682 1  35 VAL HA   1  37 ARG HG2  . . 5.270 4.290 3.928 4.674     .  0 0 "[    .    1    .    2]" 1 
        683 1  35 VAL HA   1  37 ARG QG   . . 4.580 3.742 3.563 4.052     .  0 0 "[    .    1    .    2]" 1 
        684 1  35 VAL HA   1  37 ARG HG3  . . 5.270 4.151 3.878 4.744     .  0 0 "[    .    1    .    2]" 1 
        685 1  35 VAL HA   1  38 SER H    . . 3.990 3.501 3.310 3.717     .  0 0 "[    .    1    .    2]" 1 
        686 1  35 VAL HA   1  38 SER QB   . . 4.380 2.866 2.572 3.208     .  0 0 "[    .    1    .    2]" 1 
        687 1  35 VAL HB   1  36 MET H    . . 3.670 2.820 2.539 3.035     .  0 0 "[    .    1    .    2]" 1 
        688 1  35 VAL QG   1  36 MET HA   . . 4.820 3.590 3.116 4.113     .  0 0 "[    .    1    .    2]" 1 
        689 1  35 VAL QG   1  36 MET QG   . . 4.870 3.708 3.237 4.003     .  0 0 "[    .    1    .    2]" 1 
        690 1  35 VAL QG   1  38 SER H    . . 4.320 4.134 3.940 4.321 0.001  1 0 "[    .    1    .    2]" 1 
        691 1  35 VAL QG   1 109 LEU HG   . . 4.960 4.516 3.252 4.959     .  0 0 "[    .    1    .    2]" 1 
        692 1  35 VAL MG1  1  36 MET H    . . 4.160 3.598 2.998 4.089     .  0 0 "[    .    1    .    2]" 1 
        693 1  35 VAL MG1  1  38 SER H    . . 5.330 4.329 4.098 4.562     .  0 0 "[    .    1    .    2]" 1 
        694 1  35 VAL MG2  1  36 MET H    . . 4.160 3.906 3.416 4.166 0.006  3 0 "[    .    1    .    2]" 1 
        695 1  35 VAL MG2  1  38 SER H    . . 5.330 5.243 5.058 5.349 0.019  1 0 "[    .    1    .    2]" 1 
        696 1  36 MET H    1  36 MET HB2  . . 3.540 2.392 2.258 2.649     .  0 0 "[    .    1    .    2]" 1 
        697 1  36 MET H    1  36 MET HB3  . . 3.770 3.507 3.492 3.524     .  0 0 "[    .    1    .    2]" 1 
        698 1  36 MET H    1  36 MET ME   . . 4.480 3.727 3.427 4.077     .  0 0 "[    .    1    .    2]" 1 
        699 1  36 MET H    1  36 MET HG2  . . 3.800 2.251 1.943 2.497     .  0 0 "[    .    1    .    2]" 1 
        700 1  36 MET H    1  36 MET QG   . . 3.280 2.200 1.933 2.436     .  0 0 "[    .    1    .    2]" 1 
        701 1  36 MET H    1  36 MET HG3  . . 3.800 3.254 2.267 3.492     .  0 0 "[    .    1    .    2]" 1 
        702 1  36 MET H    1  37 ARG H    . . 3.660 2.811 2.664 3.054     .  0 0 "[    .    1    .    2]" 1 
        703 1  36 MET H    1  39 LEU HB2  . . 5.350 5.223 5.034 5.352 0.002 10 0 "[    .    1    .    2]" 1 
        704 1  36 MET HA   1  36 MET ME   . . 3.710 1.957 1.808 2.658     .  0 0 "[    .    1    .    2]" 1 
        705 1  36 MET HA   1  36 MET HG2  . . 4.310 2.743 2.486 3.360     .  0 0 "[    .    1    .    2]" 1 
        706 1  36 MET HA   1  36 MET QG   . . 3.770 2.660 2.447 3.135     .  0 0 "[    .    1    .    2]" 1 
        707 1  36 MET HA   1  36 MET HG3  . . 4.310 3.724 3.638 3.800     .  0 0 "[    .    1    .    2]" 1 
        708 1  36 MET HA   1  39 LEU H    . . 4.130 3.062 2.875 3.207     .  0 0 "[    .    1    .    2]" 1 
        709 1  36 MET HA   1  39 LEU HB2  . . 4.070 2.585 2.409 2.722     .  0 0 "[    .    1    .    2]" 1 
        710 1  36 MET HA   1  39 LEU HB3  . . 4.690 4.152 3.901 4.363     .  0 0 "[    .    1    .    2]" 1 
        711 1  36 MET HA   1  39 LEU MD1  . . 4.330 2.328 1.852 3.022     .  0 0 "[    .    1    .    2]" 1 
        712 1  36 MET HA   1  39 LEU QD   . . 3.610 2.286 1.849 2.902     .  0 0 "[    .    1    .    2]" 1 
        713 1  36 MET HA   1  39 LEU MD2  . . 4.330 3.837 3.677 4.154     .  0 0 "[    .    1    .    2]" 1 
        714 1  36 MET HA   1  41 LEU H    . . 5.500 4.623 4.262 5.116     .  0 0 "[    .    1    .    2]" 1 
        715 1  36 MET HA   1  41 LEU QD   . . 3.720 3.353 2.680 3.695     .  0 0 "[    .    1    .    2]" 1 
        716 1  36 MET HA   1  41 LEU HG   . . 5.240 3.958 3.388 4.513     .  0 0 "[    .    1    .    2]" 1 
        717 1  36 MET HB2  1  37 ARG H    . . 3.700 2.432 2.182 2.629     .  0 0 "[    .    1    .    2]" 1 
        718 1  36 MET HB2  1  43 PRO HD2  . . 4.810 2.309 2.007 2.797     .  0 0 "[    .    1    .    2]" 1 
        719 1  36 MET HB2  1  43 PRO QD   . . 4.100 2.172 1.891 2.630     .  0 0 "[    .    1    .    2]" 1 
        720 1  36 MET HB2  1  43 PRO HD3  . . 4.810 2.718 2.311 3.201     .  0 0 "[    .    1    .    2]" 1 
        721 1  36 MET HB2  1  43 PRO HG2  . . 4.170 2.872 2.022 3.851     .  0 0 "[    .    1    .    2]" 1 
        722 1  36 MET HB2  1  43 PRO QG   . . 3.570 2.634 1.924 3.472     .  0 0 "[    .    1    .    2]" 1 
        723 1  36 MET HB2  1  43 PRO HG3  . . 4.170 3.115 2.005 4.173 0.003  8 0 "[    .    1    .    2]" 1 
        724 1  36 MET HB3  1  37 ARG H    . . 3.610 3.418 2.975 3.619 0.009  1 0 "[    .    1    .    2]" 1 
        725 1  36 MET HB3  1  41 LEU H    . . 5.490 4.207 3.752 4.600     .  0 0 "[    .    1    .    2]" 1 
        726 1  36 MET HB3  1  41 LEU QD   . . 3.700 2.622 2.073 3.132     .  0 0 "[    .    1    .    2]" 1 
        727 1  36 MET ME   1  37 ARG HA   . . 5.500 5.465 5.284 5.510 0.010  4 0 "[    .    1    .    2]" 1 
        728 1  36 MET ME   1  39 LEU MD1  . . 3.890 2.036 1.645 3.129     .  0 0 "[    .    1    .    2]" 1 
        729 1  36 MET ME   1  39 LEU QD   . . 3.100 1.958 1.642 2.893     .  0 0 "[    .    1    .    2]" 1 
        730 1  36 MET ME   1  39 LEU MD2  . . 3.890 3.011 2.205 3.910 0.020  1 0 "[    .    1    .    2]" 1 
        731 1  36 MET ME   1  41 LEU H    . . 5.190 3.958 3.494 5.034     .  0 0 "[    .    1    .    2]" 1 
        732 1  36 MET ME   1  41 LEU QD   . . 2.950 1.972 1.622 2.316     .  0 0 "[    .    1    .    2]" 1 
        733 1  36 MET ME   1  43 PRO HD2  . . 5.500 4.975 4.192 5.501 0.001 20 0 "[    .    1    .    2]" 1 
        734 1  36 MET ME   1  43 PRO QD   . . 4.820 3.940 3.042 4.478     .  0 0 "[    .    1    .    2]" 1 
        735 1  36 MET ME   1  43 PRO HD3  . . 5.500 4.139 3.119 4.742     .  0 0 "[    .    1    .    2]" 1 
        736 1  36 MET QG   1  37 ARG H    . . 4.260 4.008 3.740 4.176     .  0 0 "[    .    1    .    2]" 1 
        737 1  36 MET QG   1  41 LEU QD   . . 4.280 3.332 2.793 4.059     .  0 0 "[    .    1    .    2]" 1 
        738 1  36 MET HG2  1  37 ARG H    . . 4.890 4.378 3.938 4.598     .  0 0 "[    .    1    .    2]" 1 
        739 1  36 MET HG3  1  37 ARG H    . . 4.890 4.689 4.049 4.842     .  0 0 "[    .    1    .    2]" 1 
        740 1  37 ARG H    1  37 ARG QB   . . 2.930 2.516 2.395 2.566     .  0 0 "[    .    1    .    2]" 1 
        741 1  37 ARG H    1  37 ARG QD   . . 4.870 3.970 3.644 4.185     .  0 0 "[    .    1    .    2]" 1 
        742 1  37 ARG H    1  37 ARG HG2  . . 3.460 2.085 1.952 2.328     .  0 0 "[    .    1    .    2]" 1 
        743 1  37 ARG H    1  37 ARG QG   . . 2.900 2.035 1.917 2.225     .  0 0 "[    .    1    .    2]" 1 
        744 1  37 ARG H    1  37 ARG HG3  . . 3.460 2.907 2.632 3.293     .  0 0 "[    .    1    .    2]" 1 
        745 1  37 ARG H    1  38 SER H    . . 3.340 2.812 2.667 2.930     .  0 0 "[    .    1    .    2]" 1 
        746 1  37 ARG H    1  39 LEU H    . . 4.970 4.286 3.909 4.696     .  0 0 "[    .    1    .    2]" 1 
        747 1  37 ARG H    1  39 LEU HB2  . . 5.310 5.224 5.081 5.315 0.005  5 0 "[    .    1    .    2]" 1 
        748 1  37 ARG HA   1  37 ARG HG2  . . 3.990 3.777 3.660 3.900     .  0 0 "[    .    1    .    2]" 1 
        749 1  37 ARG HA   1  37 ARG HG3  . . 3.990 3.694 3.619 3.801     .  0 0 "[    .    1    .    2]" 1 
        750 1  37 ARG HA   1  40 GLY H    . . 4.130 3.864 3.397 4.141 0.011  4 0 "[    .    1    .    2]" 1 
        751 1  37 ARG QB   1  37 ARG HD2  . . 3.390 2.805 2.094 3.335     .  0 0 "[    .    1    .    2]" 1 
        752 1  37 ARG QB   1  37 ARG QD   . . 2.830 2.339 2.031 2.556     .  0 0 "[    .    1    .    2]" 1 
        753 1  37 ARG QB   1  37 ARG HD3  . . 3.390 2.878 2.134 3.337     .  0 0 "[    .    1    .    2]" 1 
        754 1  37 ARG QB   1  38 SER H    . . 3.740 3.567 3.399 3.686     .  0 0 "[    .    1    .    2]" 1 
        755 1  37 ARG QD   1  37 ARG QG   . . 2.390 2.042 1.995 2.116     .  0 0 "[    .    1    .    2]" 1 
        756 1  37 ARG QG   1  38 SER H    . . 3.300 2.108 1.938 2.384     .  0 0 "[    .    1    .    2]" 1 
        757 1  37 ARG HG2  1  38 SER H    . . 3.830 3.092 2.638 3.412     .  0 0 "[    .    1    .    2]" 1 
        758 1  37 ARG HG3  1  38 SER H    . . 3.830 2.156 1.959 2.546     .  0 0 "[    .    1    .    2]" 1 
        759 1  38 SER H    1  38 SER HB2  . . 3.290 2.289 2.057 2.715     .  0 0 "[    .    1    .    2]" 1 
        760 1  38 SER H    1  38 SER HB3  . . 3.290 2.809 2.388 3.246     .  0 0 "[    .    1    .    2]" 1 
        761 1  38 SER H    1  39 LEU H    . . 3.370 2.483 2.247 2.684     .  0 0 "[    .    1    .    2]" 1 
        762 1  38 SER H    1  40 GLY H    . . 4.700 4.432 4.190 4.704 0.004  4 0 "[    .    1    .    2]" 1 
        763 1  38 SER QB   1  39 LEU QD   . . 4.000 2.929 2.630 3.278     .  0 0 "[    .    1    .    2]" 1 
        764 1  38 SER HB2  1  39 LEU H    . . 4.320 3.651 2.948 4.243     .  0 0 "[    .    1    .    2]" 1 
        765 1  38 SER HB3  1  39 LEU H    . . 4.320 2.854 2.310 3.661     .  0 0 "[    .    1    .    2]" 1 
        766 1  39 LEU H    1  39 LEU HB2  . . 3.560 2.296 2.198 2.470     .  0 0 "[    .    1    .    2]" 1 
        767 1  39 LEU H    1  39 LEU HB3  . . 3.580 3.512 3.473 3.580     .  0 0 "[    .    1    .    2]" 1 
        768 1  39 LEU H    1  39 LEU MD1  . . 4.170 2.853 1.928 4.077     .  0 0 "[    .    1    .    2]" 1 
        769 1  39 LEU H    1  39 LEU QD   . . 3.400 2.344 1.924 3.012     .  0 0 "[    .    1    .    2]" 1 
        770 1  39 LEU H    1  39 LEU MD2  . . 4.170 3.584 2.613 4.179 0.009  6 0 "[    .    1    .    2]" 1 
        771 1  39 LEU H    1  39 LEU HG   . . 3.280 3.005 2.334 3.293 0.013  4 0 "[    .    1    .    2]" 1 
        772 1  39 LEU H    1  40 GLY H    . . 3.340 2.875 2.322 3.076     .  0 0 "[    .    1    .    2]" 1 
        773 1  39 LEU H    1  40 GLY QA   . . 5.190 4.599 4.243 4.761     .  0 0 "[    .    1    .    2]" 1 
        774 1  39 LEU H    1  41 LEU H    . . 4.580 4.432 3.775 4.586 0.006  6 0 "[    .    1    .    2]" 1 
        775 1  39 LEU H    1  41 LEU QD   . . 5.330 4.480 3.172 5.331 0.001  2 0 "[    .    1    .    2]" 1 
        776 1  39 LEU H    1 112 ILE MD   . . 5.500 4.704 4.022 5.499     .  0 0 "[    .    1    .    2]" 1 
        777 1  39 LEU HA   1  39 LEU MD1  . . 4.530 3.402 3.161 3.760     .  0 0 "[    .    1    .    2]" 1 
        778 1  39 LEU HA   1  39 LEU QD   . . 3.090 2.547 1.870 3.004     .  0 0 "[    .    1    .    2]" 1 
        779 1  39 LEU HA   1  39 LEU MD2  . . 4.530 2.827 1.876 3.488     .  0 0 "[    .    1    .    2]" 1 
        780 1  39 LEU HA   1  39 LEU HG   . . 3.720 2.689 2.176 3.495     .  0 0 "[    .    1    .    2]" 1 
        781 1  39 LEU HA   1  40 GLY QA   . . 4.990 4.257 4.249 4.259     .  0 0 "[    .    1    .    2]" 1 
        782 1  39 LEU HB2  1  40 GLY H    . . 4.070 2.461 2.070 2.759     .  0 0 "[    .    1    .    2]" 1 
        783 1  39 LEU HB3  1  40 GLY H    . . 3.910 3.186 2.785 3.782     .  0 0 "[    .    1    .    2]" 1 
        784 1  39 LEU HB3  1  41 LEU H    . . 5.420 3.877 3.358 5.248     .  0 0 "[    .    1    .    2]" 1 
        785 1  39 LEU QD   1  40 GLY H    . . 4.240 3.843 3.618 4.126     .  0 0 "[    .    1    .    2]" 1 
        786 1  39 LEU QD   1 112 ILE HA   . . 5.440 3.094 2.018 4.725     .  0 0 "[    .    1    .    2]" 1 
        787 1  39 LEU QD   1 112 ILE MD   . . 4.010 2.249 1.582 3.618     .  0 0 "[    .    1    .    2]" 1 
        788 1  39 LEU QD   1 112 ILE MG   . . 4.650 3.427 1.895 3.974     .  0 0 "[    .    1    .    2]" 1 
        789 1  39 LEU MD1  1  40 GLY H    . . 5.130 4.226 3.843 4.907     .  0 0 "[    .    1    .    2]" 1 
        790 1  39 LEU MD2  1  40 GLY H    . . 5.130 4.490 4.331 4.765     .  0 0 "[    .    1    .    2]" 1 
        791 1  40 GLY H    1  41 LEU H    . . 3.270 1.969 1.890 2.276     .  0 0 "[    .    1    .    2]" 1 
        792 1  40 GLY H    1  41 LEU HA   . . 5.170 4.367 4.285 4.552     .  0 0 "[    .    1    .    2]" 1 
        793 1  40 GLY H    1  41 LEU QB   . . 4.540 4.296 3.746 4.539     .  0 0 "[    .    1    .    2]" 1 
        794 1  40 GLY H    1  41 LEU QD   . . 4.900 3.303 2.061 4.367     .  0 0 "[    .    1    .    2]" 1 
        795 1  40 GLY H    1  41 LEU HG   . . 4.950 4.075 3.364 4.517     .  0 0 "[    .    1    .    2]" 1 
        796 1  41 LEU H    1  41 LEU QB   . . 3.320 2.648 2.301 3.318     .  0 0 "[    .    1    .    2]" 1 
        797 1  41 LEU H    1  41 LEU MD1  . . 4.230 4.014 3.899 4.225     .  0 0 "[    .    1    .    2]" 1 
        798 1  41 LEU H    1  41 LEU QD   . . 3.690 2.399 1.819 3.589     .  0 0 "[    .    1    .    2]" 1 
        799 1  41 LEU H    1  41 LEU MD2  . . 4.230 2.462 1.821 3.936     .  0 0 "[    .    1    .    2]" 1 
        800 1  41 LEU H    1  41 LEU HG   . . 2.950 2.854 2.671 2.988 0.038  4 0 "[    .    1    .    2]" 1 
        801 1  41 LEU H    1  42 SER H    . . 5.100 4.537 4.321 4.613     .  0 0 "[    .    1    .    2]" 1 
        802 1  41 LEU H    1  43 PRO QD   . . 5.340 4.565 4.074 4.940     .  0 0 "[    .    1    .    2]" 1 
        803 1  41 LEU HA   1  41 LEU MD1  . . 4.130 3.811 3.408 4.106     .  0 0 "[    .    1    .    2]" 1 
        804 1  41 LEU HA   1  41 LEU QD   . . 3.380 3.337 3.251 3.385 0.005  8 0 "[    .    1    .    2]" 1 
        805 1  41 LEU HA   1  41 LEU MD2  . . 4.130 3.804 3.490 4.107     .  0 0 "[    .    1    .    2]" 1 
        806 1  41 LEU HA   1  41 LEU HG   . . 4.000 3.657 3.620 3.713     .  0 0 "[    .    1    .    2]" 1 
        807 1  41 LEU HA   1  42 SER H    . . 3.300 2.494 2.410 2.722     .  0 0 "[    .    1    .    2]" 1 
        808 1  41 LEU QB   1  41 LEU MD1  . . 2.820 2.065 1.948 2.165     .  0 0 "[    .    1    .    2]" 1 
        809 1  41 LEU QB   1  41 LEU MD2  . . 2.820 2.042 1.926 2.120     .  0 0 "[    .    1    .    2]" 1 
        810 1  41 LEU QB   1  41 LEU HG   . . 2.550 2.489 2.450 2.525     .  0 0 "[    .    1    .    2]" 1 
        811 1  41 LEU QB   1  42 SER H    . . 3.360 2.522 2.013 2.812     .  0 0 "[    .    1    .    2]" 1 
        812 1  41 LEU QB   1  43 PRO QD   . . 4.240 3.718 2.935 3.993     .  0 0 "[    .    1    .    2]" 1 
        813 1  41 LEU QD   1  42 SER H    . . 4.010 3.063 2.172 3.706     .  0 0 "[    .    1    .    2]" 1 
        814 1  41 LEU QD   1  43 PRO QD   . . 4.430 2.402 1.764 3.059     .  0 0 "[    .    1    .    2]" 1 
        815 1  41 LEU MD1  1  42 SER H    . . 4.620 3.157 2.176 3.903     .  0 0 "[    .    1    .    2]" 1 
        816 1  41 LEU MD2  1  42 SER H    . . 4.620 4.602 4.358 4.641 0.021  4 0 "[    .    1    .    2]" 1 
        817 1  41 LEU HG   1  42 SER H    . . 3.990 3.683 3.156 3.979     .  0 0 "[    .    1    .    2]" 1 
        818 1  42 SER H    1  42 SER HA   . . 2.910 2.898 2.868 2.917 0.007  7 0 "[    .    1    .    2]" 1 
        819 1  42 SER H    1  42 SER HB2  . . 4.140 3.198 2.512 3.957     .  0 0 "[    .    1    .    2]" 1 
        820 1  42 SER H    1  42 SER HB3  . . 4.140 3.320 2.625 3.861     .  0 0 "[    .    1    .    2]" 1 
        821 1  42 SER H    1  43 PRO HD2  . . 4.530 4.463 4.088 4.541 0.011  4 0 "[    .    1    .    2]" 1 
        822 1  42 SER H    1  43 PRO QD   . . 3.960 3.299 2.820 3.408     .  0 0 "[    .    1    .    2]" 1 
        823 1  42 SER H    1  43 PRO HD3  . . 4.530 3.399 2.874 3.522     .  0 0 "[    .    1    .    2]" 1 
        824 1  42 SER HA   1  43 PRO HD2  . . 3.900 2.225 2.209 2.295     .  0 0 "[    .    1    .    2]" 1 
        825 1  42 SER HA   1  43 PRO QD   . . 3.400 2.015 1.969 2.126     .  0 0 "[    .    1    .    2]" 1 
        826 1  42 SER HA   1  43 PRO HD3  . . 3.900 2.307 2.212 2.511     .  0 0 "[    .    1    .    2]" 1 
        827 1  43 PRO HA   1  44 SER H    . . 2.830 2.212 2.203 2.218     .  0 0 "[    .    1    .    2]" 1 
        828 1  43 PRO HA   1  48 VAL MG2  . . 4.360 3.859 3.607 3.966     .  0 0 "[    .    1    .    2]" 1 
        829 1  43 PRO QB   1  44 SER H    . . 3.260 3.148 3.134 3.179     .  0 0 "[    .    1    .    2]" 1 
        830 1  43 PRO QB   1  48 VAL MG2  . . 2.820 1.902 1.792 1.934     .  0 0 "[    .    1    .    2]" 1 
        831 1  43 PRO HB2  1  44 SER H    . . 3.770 3.370 3.352 3.408     .  0 0 "[    .    1    .    2]" 1 
        832 1  43 PRO HB2  1  48 VAL MG2  . . 3.420 1.914 1.805 1.945     .  0 0 "[    .    1    .    2]" 1 
        833 1  43 PRO HB3  1  44 SER H    . . 3.770 3.777 3.766 3.802 0.032 10 0 "[    .    1    .    2]" 1 
        834 1  43 PRO HB3  1  48 VAL MG2  . . 3.420 3.321 3.001 3.467 0.047  4 0 "[    .    1    .    2]" 1 
        835 1  43 PRO QG   1  48 VAL MG2  . . 3.140 2.629 2.019 2.954     .  0 0 "[    .    1    .    2]" 1 
        836 1  43 PRO HG2  1  48 VAL MG2  . . 3.920 2.688 2.033 3.071     .  0 0 "[    .    1    .    2]" 1 
        837 1  43 PRO HG3  1  48 VAL MG2  . . 3.920 3.799 3.449 3.926 0.006 15 0 "[    .    1    .    2]" 1 
        838 1  44 SER H    1  44 SER HB2  . . 4.060 2.745 2.496 2.855     .  0 0 "[    .    1    .    2]" 1 
        839 1  44 SER H    1  44 SER QB   . . 3.310 2.621 2.243 2.736     .  0 0 "[    .    1    .    2]" 1 
        840 1  44 SER H    1  44 SER HB3  . . 4.060 3.460 2.402 3.628     .  0 0 "[    .    1    .    2]" 1 
        841 1  44 SER H    1  47 GLU H    . . 4.050 3.530 3.060 3.894     .  0 0 "[    .    1    .    2]" 1 
        842 1  44 SER H    1  47 GLU HB2  . . 4.110 2.225 1.948 2.931     .  0 0 "[    .    1    .    2]" 1 
        843 1  44 SER H    1  47 GLU QB   . . 3.340 2.061 1.930 2.544     .  0 0 "[    .    1    .    2]" 1 
        844 1  44 SER H    1  47 GLU HB3  . . 4.110 3.031 2.092 3.687     .  0 0 "[    .    1    .    2]" 1 
        845 1  44 SER H    1  47 GLU QG   . . 4.530 3.215 2.400 4.521     .  0 0 "[    .    1    .    2]" 1 
        846 1  44 SER H    1  48 VAL H    . . 4.890 4.349 3.985 4.705     .  0 0 "[    .    1    .    2]" 1 
        847 1  44 SER HA   1  45 GLU H    . . 3.230 2.346 2.289 2.513     .  0 0 "[    .    1    .    2]" 1 
        848 1  44 SER QB   1  45 GLU H    . . 3.320 2.937 2.682 3.361 0.041 10 0 "[    .    1    .    2]" 1 
        849 1  44 SER QB   1  46 ALA H    . . 3.420 2.753 2.430 3.128     .  0 0 "[    .    1    .    2]" 1 
        850 1  44 SER QB   1  47 GLU H    . . 3.400 2.223 1.966 2.696     .  0 0 "[    .    1    .    2]" 1 
        851 1  44 SER QB   1  47 GLU QB   . . 3.800 2.661 1.989 3.401     .  0 0 "[    .    1    .    2]" 1 
        852 1  44 SER QB   1  47 GLU QG   . . 5.340 3.096 2.028 4.957     .  0 0 "[    .    1    .    2]" 1 
        853 1  44 SER QB   1  48 VAL H    . . 4.500 4.186 4.029 4.492     .  0 0 "[    .    1    .    2]" 1 
        854 1  44 SER HB2  1  45 GLU H    . . 3.850 3.748 3.630 3.860 0.010 10 0 "[    .    1    .    2]" 1 
        855 1  44 SER HB2  1  46 ALA H    . . 4.060 3.103 2.589 4.085 0.025 10 0 "[    .    1    .    2]" 1 
        856 1  44 SER HB3  1  45 GLU H    . . 3.850 3.080 2.754 3.698     .  0 0 "[    .    1    .    2]" 1 
        857 1  44 SER HB3  1  46 ALA H    . . 4.060 3.209 2.760 3.599     .  0 0 "[    .    1    .    2]" 1 
        858 1  45 GLU H    1  45 GLU QB   . . 3.090 2.187 2.149 2.210     .  0 0 "[    .    1    .    2]" 1 
        859 1  45 GLU H    1  45 GLU HG2  . . 4.470 3.797 2.699 4.387     .  0 0 "[    .    1    .    2]" 1 
        860 1  45 GLU H    1  45 GLU QG   . . 3.900 3.489 2.657 3.916 0.016 17 0 "[    .    1    .    2]" 1 
        861 1  45 GLU H    1  45 GLU HG3  . . 4.470 4.256 3.836 4.441     .  0 0 "[    .    1    .    2]" 1 
        862 1  45 GLU H    1  46 ALA H    . . 3.900 2.932 2.687 3.041     .  0 0 "[    .    1    .    2]" 1 
        863 1  45 GLU H    1  46 ALA HA   . . 5.500 5.424 5.224 5.504 0.004  5 0 "[    .    1    .    2]" 1 
        864 1  45 GLU H    1  46 ALA MB   . . 5.010 4.459 4.193 4.598     .  0 0 "[    .    1    .    2]" 1 
        865 1  45 GLU H    1  47 GLU H    . . 5.060 4.226 3.856 4.532     .  0 0 "[    .    1    .    2]" 1 
        866 1  45 GLU H    1  48 VAL MG2  . . 5.280 3.571 3.384 3.975     .  0 0 "[    .    1    .    2]" 1 
        867 1  45 GLU HA   1  45 GLU HG2  . . 3.880 3.642 3.496 3.786     .  0 0 "[    .    1    .    2]" 1 
        868 1  45 GLU HA   1  45 GLU HG3  . . 3.880 3.025 2.650 3.767     .  0 0 "[    .    1    .    2]" 1 
        869 1  45 GLU HA   1  47 GLU H    . . 4.720 4.410 3.995 4.728 0.008 15 0 "[    .    1    .    2]" 1 
        870 1  45 GLU HA   1  48 VAL H    . . 3.530 3.352 3.102 3.533 0.003 13 0 "[    .    1    .    2]" 1 
        871 1  45 GLU HA   1  48 VAL HA   . . 5.500 5.355 5.042 5.499     .  0 0 "[    .    1    .    2]" 1 
        872 1  45 GLU HA   1  48 VAL HB   . . 3.140 2.856 2.514 3.019     .  0 0 "[    .    1    .    2]" 1 
        873 1  45 GLU HA   1  48 VAL MG2  . . 3.440 2.190 1.981 2.847     .  0 0 "[    .    1    .    2]" 1 
        874 1  45 GLU QB   1  45 GLU HG2  . . 2.790 2.341 2.261 2.501     .  0 0 "[    .    1    .    2]" 1 
        875 1  45 GLU QB   1  45 GLU QG   . . 2.370 2.119 2.109 2.135     .  0 0 "[    .    1    .    2]" 1 
        876 1  45 GLU QB   1  45 GLU HG3  . . 2.790 2.446 2.287 2.522     .  0 0 "[    .    1    .    2]" 1 
        877 1  45 GLU QB   1  46 ALA H    . . 3.660 3.037 2.490 3.688 0.028 10 0 "[    .    1    .    2]" 1 
        878 1  45 GLU QB   1  46 ALA HA   . . 4.670 4.481 4.362 4.670 0.000 10 0 "[    .    1    .    2]" 1 
        879 1  45 GLU QG   1  46 ALA H    . . 3.690 2.847 1.866 3.691 0.001 19 0 "[    .    1    .    2]" 1 
        880 1  45 GLU QG   1  46 ALA HA   . . 3.820 3.214 2.899 3.526     .  0 0 "[    .    1    .    2]" 1 
        881 1  45 GLU QG   1  49 ASN QB   . . 4.600 4.155 3.542 4.595     .  0 0 "[    .    1    .    2]" 1 
        882 1  45 GLU QG   1  49 ASN HD21 . . 4.280 2.952 2.255 3.624     .  0 0 "[    .    1    .    2]" 1 
        883 1  45 GLU QG   1  49 ASN HD22 . . 4.170 2.936 2.144 3.370     .  0 0 "[    .    1    .    2]" 1 
        884 1  45 GLU HG2  1  46 ALA H    . . 4.370 2.969 1.948 3.974     .  0 0 "[    .    1    .    2]" 1 
        885 1  45 GLU HG2  1  46 ALA HA   . . 4.340 3.601 3.215 4.023     .  0 0 "[    .    1    .    2]" 1 
        886 1  45 GLU HG2  1  49 ASN HD21 . . 4.870 3.788 2.447 4.674     .  0 0 "[    .    1    .    2]" 1 
        887 1  45 GLU HG2  1  49 ASN HD22 . . 5.000 3.937 2.528 5.004 0.004  8 0 "[    .    1    .    2]" 1 
        888 1  45 GLU HG3  1  46 ALA H    . . 4.370 3.740 2.387 4.382 0.012 19 0 "[    .    1    .    2]" 1 
        889 1  45 GLU HG3  1  46 ALA HA   . . 4.340 3.814 2.973 4.259     .  0 0 "[    .    1    .    2]" 1 
        890 1  45 GLU HG3  1  49 ASN HD21 . . 4.870 3.204 2.478 4.224     .  0 0 "[    .    1    .    2]" 1 
        891 1  45 GLU HG3  1  49 ASN HD22 . . 5.000 3.092 2.316 3.755     .  0 0 "[    .    1    .    2]" 1 
        892 1  46 ALA H    1  46 ALA MB   . . 2.920 2.032 1.945 2.194     .  0 0 "[    .    1    .    2]" 1 
        893 1  46 ALA H    1  47 GLU H    . . 3.450 2.529 2.259 2.712     .  0 0 "[    .    1    .    2]" 1 
        894 1  46 ALA H    1  49 ASN QB   . . 4.940 4.855 4.609 4.952 0.012 10 0 "[    .    1    .    2]" 1 
        895 1  46 ALA HA   1  49 ASN H    . . 3.670 3.344 3.075 3.679 0.009 10 0 "[    .    1    .    2]" 1 
        896 1  46 ALA HA   1  49 ASN QB   . . 3.040 2.502 2.328 2.827     .  0 0 "[    .    1    .    2]" 1 
        897 1  46 ALA HA   1  49 ASN HD21 . . 4.140 2.702 1.953 4.038     .  0 0 "[    .    1    .    2]" 1 
        898 1  46 ALA HA   1  49 ASN HD22 . . 4.720 4.110 3.473 4.721 0.001 17 0 "[    .    1    .    2]" 1 
        899 1  46 ALA MB   1  47 GLU H    . . 3.390 2.735 2.404 3.008     .  0 0 "[    .    1    .    2]" 1 
        900 1  46 ALA MB   1  47 GLU QB   . . 5.340 4.153 3.683 4.385     .  0 0 "[    .    1    .    2]" 1 
        901 1  46 ALA MB   1  47 GLU QG   . . 5.500 3.849 2.991 5.231     .  0 0 "[    .    1    .    2]" 1 
        902 1  46 ALA MB   1  49 ASN QB   . . 4.480 3.896 3.663 4.267     .  0 0 "[    .    1    .    2]" 1 
        903 1  47 GLU H    1  47 GLU HB2  . . 3.580 2.321 2.145 2.521     .  0 0 "[    .    1    .    2]" 1 
        904 1  47 GLU H    1  47 GLU HB3  . . 3.580 3.291 2.723 3.550     .  0 0 "[    .    1    .    2]" 1 
        905 1  47 GLU H    1  47 GLU QG   . . 3.980 2.946 1.981 3.999 0.019  5 0 "[    .    1    .    2]" 1 
        906 1  47 GLU H    1  48 VAL H    . . 3.360 2.538 2.204 2.739     .  0 0 "[    .    1    .    2]" 1 
        907 1  47 GLU H    1  48 VAL HA   . . 5.270 5.103 4.807 5.273 0.003 14 0 "[    .    1    .    2]" 1 
        908 1  47 GLU H    1  48 VAL MG2  . . 4.320 3.600 3.248 3.806     .  0 0 "[    .    1    .    2]" 1 
        909 1  47 GLU H    1  49 ASN QB   . . 4.860 4.862 4.818 4.901 0.041  8 0 "[    .    1    .    2]" 1 
        910 1  47 GLU HA   1  47 GLU QG   . . 3.170 2.448 2.068 2.985     .  0 0 "[    .    1    .    2]" 1 
        911 1  47 GLU HA   1  50 ASP H    . . 3.630 3.625 3.553 3.646 0.016 10 0 "[    .    1    .    2]" 1 
        912 1  47 GLU HA   1  50 ASP HB2  . . 3.460 3.365 3.009 3.468 0.008  8 0 "[    .    1    .    2]" 1 
        913 1  47 GLU HA   1  50 ASP HB3  . . 3.460 3.420 3.143 3.467 0.007  8 0 "[    .    1    .    2]" 1 
        914 1  47 GLU HB2  1  48 VAL H    . . 3.940 3.304 2.791 3.940 0.000 19 0 "[    .    1    .    2]" 1 
        915 1  47 GLU HB3  1  48 VAL H    . . 3.940 3.623 2.952 3.947 0.007 10 0 "[    .    1    .    2]" 1 
        916 1  47 GLU QG   1  48 VAL H    . . 4.650 4.393 4.048 4.658 0.008 17 0 "[    .    1    .    2]" 1 
        917 1  48 VAL H    1  48 VAL HB   . . 3.240 2.591 2.484 2.690     .  0 0 "[    .    1    .    2]" 1 
        918 1  48 VAL H    1  48 VAL MG1  . . 3.810 3.721 3.683 3.753     .  0 0 "[    .    1    .    2]" 1 
        919 1  48 VAL H    1  48 VAL MG2  . . 3.090 2.070 1.910 2.262     .  0 0 "[    .    1    .    2]" 1 
        920 1  48 VAL H    1  49 ASN H    . . 2.700 2.456 2.247 2.639     .  0 0 "[    .    1    .    2]" 1 
        921 1  48 VAL H    1  49 ASN HA   . . 5.500 4.981 4.814 5.126     .  0 0 "[    .    1    .    2]" 1 
        922 1  48 VAL H    1  49 ASN QB   . . 4.510 4.138 3.998 4.296     .  0 0 "[    .    1    .    2]" 1 
        923 1  48 VAL H    1  50 ASP H    . . 4.190 3.776 3.646 3.880     .  0 0 "[    .    1    .    2]" 1 
        924 1  48 VAL HA   1  48 VAL MG1  . . 3.060 2.318 2.155 2.387     .  0 0 "[    .    1    .    2]" 1 
        925 1  48 VAL HA   1  48 VAL MG2  . . 3.040 2.505 2.412 2.552     .  0 0 "[    .    1    .    2]" 1 
        926 1  48 VAL HA   1  50 ASP H    . . 4.840 3.742 3.492 4.042     .  0 0 "[    .    1    .    2]" 1 
        927 1  48 VAL HA   1  51 LEU H    . . 4.040 3.106 2.830 3.270     .  0 0 "[    .    1    .    2]" 1 
        928 1  48 VAL HA   1  51 LEU HA   . . 5.500 5.425 5.007 5.510 0.010 13 0 "[    .    1    .    2]" 1 
        929 1  48 VAL HA   1  51 LEU HB2  . . 3.990 3.064 2.569 3.197     .  0 0 "[    .    1    .    2]" 1 
        930 1  48 VAL HA   1  51 LEU HB3  . . 5.020 4.719 4.215 4.851     .  0 0 "[    .    1    .    2]" 1 
        931 1  48 VAL HA   1  51 LEU MD2  . . 4.290 4.275 4.202 4.291 0.001 19 0 "[    .    1    .    2]" 1 
        932 1  48 VAL HA   1  51 LEU HG   . . 3.810 2.912 2.619 3.008     .  0 0 "[    .    1    .    2]" 1 
        933 1  48 VAL HA   1  52 MET H    . . 4.460 4.095 3.575 4.223     .  0 0 "[    .    1    .    2]" 1 
        934 1  48 VAL HB   1  49 ASN H    . . 3.240 2.584 2.409 2.760     .  0 0 "[    .    1    .    2]" 1 
        935 1  48 VAL HB   1  49 ASN QB   . . 4.760 4.505 4.374 4.616     .  0 0 "[    .    1    .    2]" 1 
        936 1  48 VAL HB   1  50 ASP H    . . 5.070 4.739 4.601 4.908     .  0 0 "[    .    1    .    2]" 1 
        937 1  48 VAL MG1  1  49 ASN H    . . 3.770 3.772 3.735 3.798 0.028 13 0 "[    .    1    .    2]" 1 
        938 1  48 VAL MG1  1  49 ASN HA   . . 4.200 3.981 3.857 4.136     .  0 0 "[    .    1    .    2]" 1 
        939 1  48 VAL MG1  1  52 MET H    . . 4.280 3.696 3.321 4.030     .  0 0 "[    .    1    .    2]" 1 
        940 1  48 VAL MG1  1  52 MET QG   . . 4.120 2.075 1.801 2.371     .  0 0 "[    .    1    .    2]" 1 
        941 1  48 VAL MG2  1  49 ASN H    . . 4.220 3.616 3.439 3.786     .  0 0 "[    .    1    .    2]" 1 
        942 1  48 VAL MG2  1  49 ASN QB   . . 5.500 5.112 4.932 5.284     .  0 0 "[    .    1    .    2]" 1 
        943 1  49 ASN H    1  49 ASN QB   . . 2.950 2.178 2.115 2.238     .  0 0 "[    .    1    .    2]" 1 
        944 1  49 ASN H    1  49 ASN HD21 . . 4.220 3.091 2.002 4.005     .  0 0 "[    .    1    .    2]" 1 
        945 1  49 ASN H    1  49 ASN HD22 . . 4.840 4.173 3.694 4.630     .  0 0 "[    .    1    .    2]" 1 
        946 1  49 ASN H    1  50 ASP H    . . 3.330 2.757 2.662 2.838     .  0 0 "[    .    1    .    2]" 1 
        947 1  49 ASN H    1  51 LEU H    . . 4.920 4.447 4.157 4.846     .  0 0 "[    .    1    .    2]" 1 
        948 1  49 ASN HA   1  52 MET H    . . 4.000 3.284 3.005 4.003 0.003  2 0 "[    .    1    .    2]" 1 
        949 1  49 ASN HA   1  52 MET QB   . . 3.840 2.239 1.990 2.748     .  0 0 "[    .    1    .    2]" 1 
        950 1  49 ASN HA   1  52 MET QG   . . 4.590 2.905 2.554 3.852     .  0 0 "[    .    1    .    2]" 1 
        951 1  49 ASN QB   1  49 ASN HD22 . . 3.730 3.287 3.231 3.491     .  0 0 "[    .    1    .    2]" 1 
        952 1  49 ASN QB   1  50 ASP H    . . 3.190 2.908 2.737 3.124     .  0 0 "[    .    1    .    2]" 1 
        953 1  49 ASN QB   1  52 MET QB   . . 4.800 4.111 3.895 4.671     .  0 0 "[    .    1    .    2]" 1 
        954 1  49 ASN HD21 1  50 ASP H    . . 5.490 4.985 4.533 5.407     .  0 0 "[    .    1    .    2]" 1 
        955 1  50 ASP H    1  50 ASP HB2  . . 3.450 2.502 2.359 2.657     .  0 0 "[    .    1    .    2]" 1 
        956 1  50 ASP H    1  50 ASP QB   . . 2.860 2.192 2.174 2.221     .  0 0 "[    .    1    .    2]" 1 
        957 1  50 ASP H    1  50 ASP HB3  . . 3.450 2.435 2.344 2.564     .  0 0 "[    .    1    .    2]" 1 
        958 1  50 ASP H    1  51 LEU H    . . 3.380 2.604 2.443 2.807     .  0 0 "[    .    1    .    2]" 1 
        959 1  50 ASP H    1  51 LEU HB2  . . 4.920 4.827 4.669 4.921 0.001  4 0 "[    .    1    .    2]" 1 
        960 1  50 ASP H    1  51 LEU MD2  . . 5.000 4.105 3.883 4.352     .  0 0 "[    .    1    .    2]" 1 
        961 1  50 ASP H    1  51 LEU HG   . . 4.650 4.469 4.113 4.633     .  0 0 "[    .    1    .    2]" 1 
        962 1  50 ASP H    1  52 MET QB   . . 4.990 4.710 4.416 4.955     .  0 0 "[    .    1    .    2]" 1 
        963 1  50 ASP HA   1  53 ASN H    . . 3.700 3.420 3.183 3.566     .  0 0 "[    .    1    .    2]" 1 
        964 1  50 ASP HA   1  53 ASN HB2  . . 3.770 2.547 2.243 2.726     .  0 0 "[    .    1    .    2]" 1 
        965 1  50 ASP HA   1  53 ASN HB3  . . 4.020 3.746 3.392 4.025 0.005 10 0 "[    .    1    .    2]" 1 
        966 1  50 ASP HA   1  53 ASN HD21 . . 4.110 3.296 2.838 3.756     .  0 0 "[    .    1    .    2]" 1 
        967 1  50 ASP HA   1  53 ASN HD22 . . 5.200 4.881 4.555 5.199     .  0 0 "[    .    1    .    2]" 1 
        968 1  50 ASP HA   1  54 GLU H    . . 5.160 5.027 4.614 5.163 0.003  2 0 "[    .    1    .    2]" 1 
        969 1  50 ASP QB   1  51 LEU H    . . 3.430 2.397 2.030 2.682     .  0 0 "[    .    1    .    2]" 1 
        970 1  50 ASP QB   1  51 LEU MD2  . . 4.190 2.336 1.982 2.659     .  0 0 "[    .    1    .    2]" 1 
        971 1  50 ASP HB2  1  51 LEU H    . . 4.020 3.780 3.558 3.994     .  0 0 "[    .    1    .    2]" 1 
        972 1  50 ASP HB2  1  51 LEU MD2  . . 4.950 3.838 3.599 4.208     .  0 0 "[    .    1    .    2]" 1 
        973 1  50 ASP HB3  1  51 LEU H    . . 4.020 2.425 2.042 2.725     .  0 0 "[    .    1    .    2]" 1 
        974 1  50 ASP HB3  1  51 LEU MD2  . . 4.950 2.358 1.992 2.689     .  0 0 "[    .    1    .    2]" 1 
        975 1  51 LEU H    1  51 LEU HB2  . . 3.400 2.503 2.373 2.666     .  0 0 "[    .    1    .    2]" 1 
        976 1  51 LEU H    1  51 LEU HB3  . . 3.960 3.554 3.524 3.580     .  0 0 "[    .    1    .    2]" 1 
        977 1  51 LEU H    1  51 LEU MD2  . . 3.780 2.400 1.961 2.657     .  0 0 "[    .    1    .    2]" 1 
        978 1  51 LEU H    1  51 LEU HG   . . 3.210 2.478 2.208 2.689     .  0 0 "[    .    1    .    2]" 1 
        979 1  51 LEU H    1  52 MET H    . . 3.510 2.509 2.321 2.908     .  0 0 "[    .    1    .    2]" 1 
        980 1  51 LEU H    1  52 MET QB   . . 4.830 4.538 4.353 4.835 0.005 17 0 "[    .    1    .    2]" 1 
        981 1  51 LEU H    1  52 MET QG   . . 4.690 3.848 3.534 4.596     .  0 0 "[    .    1    .    2]" 1 
        982 1  51 LEU H    1  53 ASN H    . . 4.210 3.855 3.704 4.018     .  0 0 "[    .    1    .    2]" 1 
        983 1  51 LEU HA   1  51 LEU MD2  . . 2.840 1.945 1.891 2.061     .  0 0 "[    .    1    .    2]" 1 
        984 1  51 LEU HA   1  51 LEU HG   . . 3.780 3.535 3.403 3.603     .  0 0 "[    .    1    .    2]" 1 
        985 1  51 LEU HA   1  54 GLU H    . . 3.780 3.669 3.533 3.780     .  9 0 "[    .    1    .    2]" 1 
        986 1  51 LEU HA   1  54 GLU QB   . . 4.000 3.758 3.408 3.997     .  0 0 "[    .    1    .    2]" 1 
        987 1  51 LEU HB2  1  51 LEU MD2  . . 3.410 3.147 3.134 3.198     .  0 0 "[    .    1    .    2]" 1 
        988 1  51 LEU HB2  1  52 MET H    . . 3.710 2.969 2.425 3.266     .  0 0 "[    .    1    .    2]" 1 
        989 1  51 LEU HB3  1  51 LEU MD2  . . 3.300 2.708 2.577 2.742     .  0 0 "[    .    1    .    2]" 1 
        990 1  51 LEU HB3  1  52 MET H    . . 4.220 4.010 3.675 4.220 0.000  5 0 "[    .    1    .    2]" 1 
        991 1  51 LEU HB3  1  53 ASN H    . . 5.500 5.423 5.100 5.505 0.005  9 0 "[    .    1    .    2]" 1 
        992 1  51 LEU HB3  1  54 GLU H    . . 5.490 5.448 5.118 5.498 0.008 10 0 "[    .    1    .    2]" 1 
        993 1  51 LEU MD2  1  52 MET H    . . 4.400 4.255 4.135 4.400     .  0 0 "[    .    1    .    2]" 1 
        994 1  51 LEU HG   1  52 MET H    . . 4.520 4.448 4.034 4.522 0.002  9 0 "[    .    1    .    2]" 1 
        995 1  52 MET H    1  52 MET QB   . . 3.140 2.389 2.287 2.495     .  0 0 "[    .    1    .    2]" 1 
        996 1  52 MET H    1  52 MET ME   . . 4.850 4.503 4.243 4.718     .  0 0 "[    .    1    .    2]" 1 
        997 1  52 MET H    1  52 MET QG   . . 3.540 2.172 1.937 2.570     .  0 0 "[    .    1    .    2]" 1 
        998 1  52 MET H    1  53 ASN H    . . 3.470 2.459 2.291 2.716     .  0 0 "[    .    1    .    2]" 1 
        999 1  52 MET H    1  53 ASN HB2  . . 4.650 4.259 4.094 4.576     .  0 0 "[    .    1    .    2]" 1 
       1000 1  52 MET H    1  53 ASN HB3  . . 5.490 5.290 4.977 5.498 0.008 17 0 "[    .    1    .    2]" 1 
       1001 1  52 MET H    1  54 GLU H    . . 4.490 4.317 4.025 4.500 0.010  6 0 "[    .    1    .    2]" 1 
       1002 1  52 MET H    1  55 ILE H    . . 5.310 5.042 4.789 5.310     .  0 0 "[    .    1    .    2]" 1 
       1003 1  52 MET HA   1  52 MET ME   . . 3.740 3.150 2.671 3.549     .  0 0 "[    .    1    .    2]" 1 
       1004 1  52 MET HA   1  52 MET QG   . . 3.400 2.800 2.305 3.119     .  0 0 "[    .    1    .    2]" 1 
       1005 1  52 MET HA   1  55 ILE H    . . 3.520 3.239 2.962 3.489     .  0 0 "[    .    1    .    2]" 1 
       1006 1  52 MET HA   1  55 ILE HB   . . 4.580 2.704 2.181 3.112     .  0 0 "[    .    1    .    2]" 1 
       1007 1  52 MET HA   1  55 ILE MD   . . 3.950 2.578 2.153 3.179     .  0 0 "[    .    1    .    2]" 1 
       1008 1  52 MET HA   1  55 ILE MG   . . 4.710 4.156 3.620 4.564     .  0 0 "[    .    1    .    2]" 1 
       1009 1  52 MET HA   1  56 ASP H    . . 4.530 3.989 3.718 4.458     .  0 0 "[    .    1    .    2]" 1 
       1010 1  52 MET HA   1  63 ILE MD   . . 3.670 3.001 2.657 3.416     .  0 0 "[    .    1    .    2]" 1 
       1011 1  52 MET QB   1  53 ASN H    . . 3.280 3.047 2.822 3.169     .  0 0 "[    .    1    .    2]" 1 
       1012 1  52 MET ME   1  52 MET QG   . . 3.320 2.363 2.195 2.429     .  0 0 "[    .    1    .    2]" 1 
       1013 1  52 MET ME   1  53 ASN H    . . 5.500 5.348 5.204 5.500 0.000  9 0 "[    .    1    .    2]" 1 
       1014 1  52 MET ME   1  55 ILE H    . . 5.350 5.355 5.329 5.365 0.015 13 0 "[    .    1    .    2]" 1 
       1015 1  52 MET ME   1  55 ILE HB   . . 4.240 3.819 3.525 4.241 0.001  4 0 "[    .    1    .    2]" 1 
       1016 1  52 MET ME   1  62 GLN H    . . 4.570 3.635 3.251 4.115     .  0 0 "[    .    1    .    2]" 1 
       1017 1  52 MET ME   1  62 GLN HA   . . 3.440 3.237 2.768 3.444 0.004 17 0 "[    .    1    .    2]" 1 
       1018 1  52 MET ME   1  63 ILE H    . . 3.530 3.117 2.800 3.512     .  0 0 "[    .    1    .    2]" 1 
       1019 1  52 MET ME   1  63 ILE MD   . . 2.970 1.947 1.654 2.255     .  0 0 "[    .    1    .    2]" 1 
       1020 1  52 MET QG   1  53 ASN H    . . 4.330 4.163 3.990 4.331 0.001  2 0 "[    .    1    .    2]" 1 
       1021 1  53 ASN H    1  53 ASN HB2  . . 3.110 2.119 2.057 2.229     .  0 0 "[    .    1    .    2]" 1 
       1022 1  53 ASN H    1  53 ASN HB3  . . 2.990 2.946 2.796 3.049 0.059 13 0 "[    .    1    .    2]" 1 
       1023 1  53 ASN H    1  53 ASN HD21 . . 4.450 3.938 3.544 4.131     .  0 0 "[    .    1    .    2]" 1 
       1024 1  53 ASN H    1  53 ASN HD22 . . 5.460 5.282 5.027 5.448     .  0 0 "[    .    1    .    2]" 1 
       1025 1  53 ASN H    1  54 GLU H    . . 3.230 2.607 2.429 2.793     .  0 0 "[    .    1    .    2]" 1 
       1026 1  53 ASN HA   1  56 ASP H    . . 4.080 3.435 3.099 3.844     .  0 0 "[    .    1    .    2]" 1 
       1027 1  53 ASN HB2  1  53 ASN HD21 . . 3.550 2.141 2.102 2.221     .  0 0 "[    .    1    .    2]" 1 
       1028 1  53 ASN HB2  1  53 ASN HD22 . . 3.650 3.461 3.445 3.494     .  0 0 "[    .    1    .    2]" 1 
       1029 1  53 ASN HB2  1  54 GLU H    . . 3.780 3.466 3.207 3.781 0.001 12 0 "[    .    1    .    2]" 1 
       1030 1  53 ASN HB2  1  54 GLU QB   . . 5.340 5.311 5.174 5.412 0.072 13 0 "[    .    1    .    2]" 1 
       1031 1  53 ASN HB3  1  53 ASN HD21 . . 3.490 3.279 2.998 3.467     .  0 0 "[    .    1    .    2]" 1 
       1032 1  53 ASN HB3  1  54 GLU H    . . 3.480 2.741 2.440 3.071     .  0 0 "[    .    1    .    2]" 1 
       1033 1  53 ASN HB3  1  54 GLU QB   . . 4.600 4.293 3.907 4.571     .  0 0 "[    .    1    .    2]" 1 
       1034 1  54 GLU H    1  54 GLU HB2  . . 3.580 2.918 2.269 3.574     .  0 0 "[    .    1    .    2]" 1 
       1035 1  54 GLU H    1  54 GLU QB   . . 2.760 2.410 2.243 2.487     .  0 0 "[    .    1    .    2]" 1 
       1036 1  54 GLU H    1  54 GLU HB3  . . 3.580 3.089 2.290 3.570     .  0 0 "[    .    1    .    2]" 1 
       1037 1  54 GLU H    1  54 GLU HG2  . . 4.120 2.250 1.945 3.620     .  0 0 "[    .    1    .    2]" 1 
       1038 1  54 GLU H    1  54 GLU QG   . . 3.500 2.218 1.933 3.372     .  0 0 "[    .    1    .    2]" 1 
       1039 1  54 GLU H    1  54 GLU HG3  . . 4.120 3.541 3.150 4.026     .  0 0 "[    .    1    .    2]" 1 
       1040 1  54 GLU H    1  55 ILE H    . . 3.400 2.634 2.388 2.861     .  0 0 "[    .    1    .    2]" 1 
       1041 1  54 GLU H    1  55 ILE HA   . . 5.450 5.190 5.014 5.351     .  0 0 "[    .    1    .    2]" 1 
       1042 1  54 GLU H    1  55 ILE HB   . . 5.310 4.782 4.604 4.991     .  0 0 "[    .    1    .    2]" 1 
       1043 1  54 GLU H    1  55 ILE MD   . . 4.810 4.605 4.322 4.812 0.002 17 0 "[    .    1    .    2]" 1 
       1044 1  54 GLU H    1  55 ILE HG13 . . 4.500 4.237 3.982 4.515 0.015 17 0 "[    .    1    .    2]" 1 
       1045 1  54 GLU H    1  56 ASP H    . . 3.900 3.643 3.437 3.736     .  0 0 "[    .    1    .    2]" 1 
       1046 1  54 GLU HA   1  54 GLU HG2  . . 3.760 3.265 2.679 3.682     .  0 0 "[    .    1    .    2]" 1 
       1047 1  54 GLU HA   1  54 GLU HG3  . . 3.760 3.712 2.724 3.794 0.034 10 0 "[    .    1    .    2]" 1 
       1048 1  54 GLU QB   1  54 GLU QG   . . 2.270 2.075 1.987 2.125     .  0 0 "[    .    1    .    2]" 1 
       1049 1  54 GLU QB   1  55 ILE H    . . 3.710 2.826 2.156 3.577     .  0 0 "[    .    1    .    2]" 1 
       1050 1  54 GLU QB   1  55 ILE MD   . . 5.280 4.242 3.699 4.864     .  0 0 "[    .    1    .    2]" 1 
       1051 1  54 GLU HB2  1  55 ILE H    . . 4.310 3.072 2.225 4.141     .  0 0 "[    .    1    .    2]" 1 
       1052 1  54 GLU HB2  1  56 ASP H    . . 5.500 4.938 4.387 5.505 0.005  4 0 "[    .    1    .    2]" 1 
       1053 1  54 GLU HB2  1  85 LEU MD2  . . 4.370 2.976 2.070 4.371 0.001  7 0 "[    .    1    .    2]" 1 
       1054 1  54 GLU HB3  1  55 ILE H    . . 4.310 3.640 2.891 3.911     .  0 0 "[    .    1    .    2]" 1 
       1055 1  54 GLU HB3  1  56 ASP H    . . 5.500 5.219 4.787 5.384     .  0 0 "[    .    1    .    2]" 1 
       1056 1  54 GLU HB3  1  85 LEU MD2  . . 4.370 3.294 1.943 4.340     .  0 0 "[    .    1    .    2]" 1 
       1057 1  54 GLU QG   1  55 ILE H    . . 3.880 3.154 1.920 4.172 0.292 17 0 "[    .    1    .    2]" 1 
       1058 1  54 GLU QG   1  85 LEU MD2  . . 4.090 2.757 2.059 3.528     .  0 0 "[    .    1    .    2]" 1 
       1059 1  54 GLU HG2  1  85 LEU MD2  . . 4.690 3.864 3.183 4.672     .  0 0 "[    .    1    .    2]" 1 
       1060 1  54 GLU HG3  1  85 LEU MD2  . . 4.690 2.877 2.084 4.009     .  0 0 "[    .    1    .    2]" 1 
       1061 1  55 ILE H    1  55 ILE HB   . . 3.200 2.446 2.366 2.491     .  0 0 "[    .    1    .    2]" 1 
       1062 1  55 ILE H    1  55 ILE MD   . . 3.640 3.102 2.866 3.448     .  0 0 "[    .    1    .    2]" 1 
       1063 1  55 ILE H    1  55 ILE HG12 . . 3.800 3.574 3.417 3.799     .  0 0 "[    .    1    .    2]" 1 
       1064 1  55 ILE H    1  55 ILE HG13 . . 3.310 2.112 1.940 2.405     .  0 0 "[    .    1    .    2]" 1 
       1065 1  55 ILE H    1  55 ILE MG   . . 3.800 3.718 3.707 3.736     .  0 0 "[    .    1    .    2]" 1 
       1066 1  55 ILE H    1  56 ASP H    . . 3.080 2.510 2.237 2.780     .  0 0 "[    .    1    .    2]" 1 
       1067 1  55 ILE H    1  56 ASP HB2  . . 4.620 4.387 4.078 4.638 0.018 17 0 "[    .    1    .    2]" 1 
       1068 1  55 ILE HA   1  55 ILE MD   . . 4.020 3.885 3.865 3.902     .  0 0 "[    .    1    .    2]" 1 
       1069 1  55 ILE HA   1  55 ILE HG12 . . 3.010 2.790 2.665 2.896     .  0 0 "[    .    1    .    2]" 1 
       1070 1  55 ILE HA   1  55 ILE HG13 . . 3.780 2.750 2.697 2.839     .  0 0 "[    .    1    .    2]" 1 
       1071 1  55 ILE HA   1  55 ILE MG   . . 3.010 2.454 2.429 2.490     .  0 0 "[    .    1    .    2]" 1 
       1072 1  55 ILE HB   1  55 ILE MD   . . 3.410 2.171 2.022 2.281     .  0 0 "[    .    1    .    2]" 1 
       1073 1  55 ILE HB   1  56 ASP H    . . 3.520 3.207 3.093 3.363     .  0 0 "[    .    1    .    2]" 1 
       1074 1  55 ILE MD   1  55 ILE MG   . . 2.640 2.285 2.017 2.483     .  0 0 "[    .    1    .    2]" 1 
       1075 1  55 ILE MD   1  56 ASP H    . . 4.900 4.645 4.449 4.902 0.002  9 0 "[    .    1    .    2]" 1 
       1076 1  55 ILE MD   1  63 ILE HG13 . . 3.390 2.846 2.663 3.285     .  0 0 "[    .    1    .    2]" 1 
       1077 1  55 ILE MD   1  71 LEU QD   . . 3.410 2.289 1.799 3.330     .  0 0 "[    .    1    .    2]" 1 
       1078 1  55 ILE MD   1  89 PHE QE   . . 4.330 2.922 2.067 4.291     .  0 0 "[    .    1    .    2]" 1 
       1079 1  55 ILE MD   1  89 PHE HZ   . . 4.820 2.995 1.981 4.797     .  0 0 "[    .    1    .    2]" 1 
       1080 1  55 ILE HG12 1  71 LEU HA   . . 5.000 4.905 4.380 5.002 0.002 10 0 "[    .    1    .    2]" 1 
       1081 1  55 ILE HG13 1  55 ILE MG   . . 3.350 3.188 3.159 3.224     .  0 0 "[    .    1    .    2]" 1 
       1082 1  55 ILE HG13 1  56 ASP H    . . 4.590 4.370 4.306 4.453     .  0 0 "[    .    1    .    2]" 1 
       1083 1  55 ILE MG   1  56 ASP H    . . 3.960 3.900 3.790 3.962 0.002  4 0 "[    .    1    .    2]" 1 
       1084 1  55 ILE MG   1  56 ASP HA   . . 4.130 3.739 3.654 3.842     .  0 0 "[    .    1    .    2]" 1 
       1085 1  55 ILE MG   1  63 ILE HA   . . 4.410 3.133 2.782 3.426     .  0 0 "[    .    1    .    2]" 1 
       1086 1  55 ILE MG   1  63 ILE MG   . . 2.860 1.879 1.703 2.634     .  0 0 "[    .    1    .    2]" 1 
       1087 1  55 ILE MG   1  64 GLU H    . . 4.260 4.095 3.539 4.263 0.003  8 0 "[    .    1    .    2]" 1 
       1088 1  55 ILE MG   1  67 GLU H    . . 5.120 4.968 4.370 5.123 0.003  1 0 "[    .    1    .    2]" 1 
       1089 1  55 ILE MG   1  67 GLU HB2  . . 4.700 3.069 2.410 3.536     .  0 0 "[    .    1    .    2]" 1 
       1090 1  55 ILE MG   1  67 GLU QB   . . 3.890 2.215 1.761 2.437     .  0 0 "[    .    1    .    2]" 1 
       1091 1  55 ILE MG   1  67 GLU HB3  . . 4.700 2.276 1.810 2.483     .  0 0 "[    .    1    .    2]" 1 
       1092 1  55 ILE MG   1  67 GLU QG   . . 4.190 3.936 3.301 4.192 0.002 13 0 "[    .    1    .    2]" 1 
       1093 1  55 ILE MG   1  68 PHE H    . . 4.390 3.946 3.505 4.364     .  0 0 "[    .    1    .    2]" 1 
       1094 1  55 ILE MG   1  68 PHE HB2  . . 5.210 4.376 3.976 4.807     .  0 0 "[    .    1    .    2]" 1 
       1095 1  55 ILE MG   1  71 LEU H    . . 4.720 4.412 3.921 4.721 0.001  9 0 "[    .    1    .    2]" 1 
       1096 1  55 ILE MG   1  71 LEU QD   . . 3.800 2.156 1.698 3.808 0.008 13 0 "[    .    1    .    2]" 1 
       1097 1  56 ASP H    1  56 ASP HB2  . . 3.140 2.130 2.090 2.155     .  0 0 "[    .    1    .    2]" 1 
       1098 1  56 ASP H    1  56 ASP HB3  . . 3.590 3.425 3.398 3.443     .  0 0 "[    .    1    .    2]" 1 
       1099 1  56 ASP H    1  57 VAL MG2  . . 4.970 4.828 4.682 4.954     .  0 0 "[    .    1    .    2]" 1 
       1100 1  56 ASP HA   1  57 VAL H    . . 3.150 2.264 2.253 2.272     .  0 0 "[    .    1    .    2]" 1 
       1101 1  56 ASP HA   1  57 VAL HB   . . 4.760 4.531 4.442 4.655     .  0 0 "[    .    1    .    2]" 1 
       1102 1  56 ASP HA   1  57 VAL MG2  . . 4.420 3.707 3.487 3.873     .  0 0 "[    .    1    .    2]" 1 
       1103 1  56 ASP HA   1  58 ASP H    . . 3.960 3.628 3.510 3.781     .  0 0 "[    .    1    .    2]" 1 
       1104 1  56 ASP HA   1  59 GLY H    . . 4.900 3.657 3.587 3.723     .  0 0 "[    .    1    .    2]" 1 
       1105 1  56 ASP HB2  1  57 VAL H    . . 4.610 4.463 4.424 4.526     .  0 0 "[    .    1    .    2]" 1 
       1106 1  56 ASP HB2  1  57 VAL HA   . . 5.500 5.264 5.229 5.350     .  0 0 "[    .    1    .    2]" 1 
       1107 1  56 ASP HB3  1  57 VAL H    . . 3.790 3.468 3.392 3.591     .  0 0 "[    .    1    .    2]" 1 
       1108 1  56 ASP HB3  1  58 ASP H    . . 4.300 3.242 3.127 3.458     .  0 0 "[    .    1    .    2]" 1 
       1109 1  56 ASP HB3  1  59 GLY H    . . 4.880 1.990 1.948 2.351     .  0 0 "[    .    1    .    2]" 1 
       1110 1  56 ASP HB3  1  61 HIS H    . . 4.750 3.854 3.672 4.279     .  0 0 "[    .    1    .    2]" 1 
       1111 1  57 VAL H    1  57 VAL HB   . . 3.390 2.327 2.255 2.429     .  0 0 "[    .    1    .    2]" 1 
       1112 1  57 VAL H    1  57 VAL MG1  . . 3.820 3.701 3.651 3.746     .  0 0 "[    .    1    .    2]" 1 
       1113 1  57 VAL H    1  57 VAL MG2  . . 3.250 2.525 2.299 2.716     .  0 0 "[    .    1    .    2]" 1 
       1114 1  57 VAL H    1  58 ASP H    . . 3.000 2.109 2.104 2.119     .  0 0 "[    .    1    .    2]" 1 
       1115 1  57 VAL H    1  59 GLY H    . . 4.760 3.334 3.238 3.409     .  0 0 "[    .    1    .    2]" 1 
       1116 1  57 VAL HA   1  57 VAL MG1  . . 3.160 2.468 2.375 2.562     .  0 0 "[    .    1    .    2]" 1 
       1117 1  57 VAL HA   1  57 VAL MG2  . . 3.120 2.351 2.269 2.444     .  0 0 "[    .    1    .    2]" 1 
       1118 1  57 VAL HA   1  59 GLY H    . . 4.970 4.600 4.490 4.684     .  0 0 "[    .    1    .    2]" 1 
       1119 1  57 VAL HB   1  58 ASP H    . . 3.210 3.002 2.827 3.105     .  0 0 "[    .    1    .    2]" 1 
       1120 1  57 VAL HB   1  58 ASP HB3  . . 4.830 4.125 3.996 4.216     .  0 0 "[    .    1    .    2]" 1 
       1121 1  57 VAL HB   1  59 GLY H    . . 5.070 4.893 4.738 4.993     .  0 0 "[    .    1    .    2]" 1 
       1122 1  57 VAL MG1  1  58 ASP H    . . 3.880 3.663 3.525 3.851     .  0 0 "[    .    1    .    2]" 1 
       1123 1  57 VAL MG1  1  58 ASP HA   . . 4.740 3.813 3.660 3.990     .  0 0 "[    .    1    .    2]" 1 
       1124 1  57 VAL MG1  1  59 GLY H    . . 5.330 5.187 5.096 5.302     .  0 0 "[    .    1    .    2]" 1 
       1125 1  57 VAL MG2  1  58 ASP H    . . 4.100 3.994 3.885 4.087     .  0 0 "[    .    1    .    2]" 1 
       1126 1  57 VAL MG2  1  59 GLY H    . . 5.380 5.248 5.126 5.349     .  0 0 "[    .    1    .    2]" 1 
       1127 1  57 VAL MG2  1  67 GLU HG2  . . 4.090 2.345 1.787 2.727     .  0 0 "[    .    1    .    2]" 1 
       1128 1  57 VAL MG2  1  67 GLU QG   . . 3.400 2.317 1.777 2.678     .  0 0 "[    .    1    .    2]" 1 
       1129 1  57 VAL MG2  1  67 GLU HG3  . . 4.090 3.642 2.924 4.043     .  0 0 "[    .    1    .    2]" 1 
       1130 1  58 ASP H    1  58 ASP HB2  . . 3.680 3.664 3.622 3.686 0.006 20 0 "[    .    1    .    2]" 1 
       1131 1  58 ASP H    1  58 ASP HB3  . . 3.340 3.050 2.935 3.130     .  0 0 "[    .    1    .    2]" 1 
       1132 1  58 ASP H    1  59 GLY H    . . 3.100 1.964 1.914 2.053     .  0 0 "[    .    1    .    2]" 1 
       1133 1  58 ASP H    1  59 GLY QA   . . 4.520 3.928 3.883 4.004     .  0 0 "[    .    1    .    2]" 1 
       1134 1  58 ASP H    1  60 ASN H    . . 4.330 3.721 3.582 3.862     .  0 0 "[    .    1    .    2]" 1 
       1135 1  58 ASP H    1  61 HIS H    . . 5.500 5.428 5.230 5.507 0.007 20 0 "[    .    1    .    2]" 1 
       1136 1  58 ASP HA   1  59 GLY H    . . 3.650 3.569 3.560 3.571     .  0 0 "[    .    1    .    2]" 1 
       1137 1  58 ASP HB2  1  59 GLY H    . . 4.550 4.008 3.949 4.092     .  0 0 "[    .    1    .    2]" 1 
       1138 1  58 ASP HB2  1  60 ASN H    . . 4.710 4.571 4.293 4.718 0.008 15 0 "[    .    1    .    2]" 1 
       1139 1  58 ASP HB3  1  59 GLY H    . . 4.280 4.239 4.200 4.271     .  0 0 "[    .    1    .    2]" 1 
       1140 1  59 GLY H    1  60 ASN H    . . 2.990 2.412 2.303 2.524     .  0 0 "[    .    1    .    2]" 1 
       1141 1  59 GLY H    1  61 HIS H    . . 4.070 3.917 3.844 3.965     .  0 0 "[    .    1    .    2]" 1 
       1142 1  59 GLY QA   1  61 HIS H    . . 4.620 3.077 2.918 3.235     .  0 0 "[    .    1    .    2]" 1 
       1143 1  59 GLY HA2  1  61 HIS H    . . 5.250 3.139 2.977 3.302     .  0 0 "[    .    1    .    2]" 1 
       1144 1  59 GLY HA3  1  61 HIS H    . . 5.250 4.429 4.195 4.634     .  0 0 "[    .    1    .    2]" 1 
       1145 1  60 ASN H    1  60 ASN HB2  . . 3.830 3.654 3.603 3.716     .  0 0 "[    .    1    .    2]" 1 
       1146 1  60 ASN H    1  60 ASN QB   . . 3.210 2.706 2.618 2.809     .  0 0 "[    .    1    .    2]" 1 
       1147 1  60 ASN H    1  60 ASN HB3  . . 3.830 2.789 2.688 2.907     .  0 0 "[    .    1    .    2]" 1 
       1148 1  60 ASN H    1  60 ASN HD22 . . 4.740 4.386 4.298 4.526     .  0 0 "[    .    1    .    2]" 1 
       1149 1  60 ASN H    1  61 HIS H    . . 3.040 2.146 1.897 2.377     .  0 0 "[    .    1    .    2]" 1 
       1150 1  60 ASN H    1  61 HIS HA   . . 4.580 4.295 4.081 4.464     .  0 0 "[    .    1    .    2]" 1 
       1151 1  60 ASN H    1  62 GLN H    . . 3.950 3.524 3.436 3.663     .  0 0 "[    .    1    .    2]" 1 
       1152 1  60 ASN HA   1  60 ASN HD21 . . 4.840 4.641 4.609 4.651     .  0 0 "[    .    1    .    2]" 1 
       1153 1  60 ASN HA   1  62 GLN H    . . 5.200 5.072 4.894 5.207 0.007 17 0 "[    .    1    .    2]" 1 
       1154 1  60 ASN QB   1  61 HIS H    . . 4.520 3.834 3.749 3.983     .  0 0 "[    .    1    .    2]" 1 
       1155 1  60 ASN HD21 1  62 GLN HB2  . . 4.250 3.052 2.808 3.272     .  0 0 "[    .    1    .    2]" 1 
       1156 1  60 ASN HD21 1  62 GLN HE21 . . 4.920 2.673 2.146 3.169     .  0 0 "[    .    1    .    2]" 1 
       1157 1  60 ASN HD21 1  62 GLN QE   . . 4.230 2.637 2.118 3.100     .  0 0 "[    .    1    .    2]" 1 
       1158 1  60 ASN HD21 1  62 GLN HE22 . . 4.920 4.041 3.272 4.528     .  0 0 "[    .    1    .    2]" 1 
       1159 1  60 ASN HD21 1  62 GLN HG2  . . 5.500 5.495 5.429 5.507 0.007 11 0 "[    .    1    .    2]" 1 
       1160 1  60 ASN HD21 1  62 GLN HG3  . . 4.570 4.092 3.948 4.310     .  0 0 "[    .    1    .    2]" 1 
       1161 1  60 ASN HD22 1  62 GLN H    . . 4.530 3.749 3.465 4.111     .  0 0 "[    .    1    .    2]" 1 
       1162 1  60 ASN HD22 1  62 GLN HB2  . . 4.350 1.968 1.948 2.032     .  0 0 "[    .    1    .    2]" 1 
       1163 1  60 ASN HD22 1  62 GLN HE21 . . 4.940 2.901 2.229 3.737     .  0 0 "[    .    1    .    2]" 1 
       1164 1  60 ASN HD22 1  62 GLN QE   . . 4.350 2.859 2.212 3.628     .  0 0 "[    .    1    .    2]" 1 
       1165 1  60 ASN HD22 1  62 GLN HE22 . . 4.940 4.389 3.714 4.911     .  0 0 "[    .    1    .    2]" 1 
       1166 1  60 ASN HD22 1  62 GLN HG2  . . 5.200 4.915 4.798 5.014     .  0 0 "[    .    1    .    2]" 1 
       1167 1  60 ASN HD22 1  62 GLN HG3  . . 4.910 3.886 3.625 4.109     .  0 0 "[    .    1    .    2]" 1 
       1168 1  61 HIS H    1  61 HIS HA   . . 2.840 2.205 2.192 2.218     .  0 0 "[    .    1    .    2]" 1 
       1169 1  61 HIS H    1  61 HIS QB   . . 3.650 3.323 2.887 3.503     .  0 0 "[    .    1    .    2]" 1 
       1170 1  61 HIS H    1  62 GLN H    . . 3.070 2.566 2.352 2.923     .  0 0 "[    .    1    .    2]" 1 
       1171 1  61 HIS H    1  62 GLN HA   . . 5.350 5.116 4.956 5.374 0.024 11 0 "[    .    1    .    2]" 1 
       1172 1  61 HIS HA   1  62 GLN H    . . 3.280 2.773 2.650 2.883     .  0 0 "[    .    1    .    2]" 1 
       1173 1  61 HIS HA   1  62 GLN HA   . . 4.460 4.297 4.271 4.316     .  0 0 "[    .    1    .    2]" 1 
       1174 1  61 HIS QB   1  62 GLN H    . . 4.110 3.992 3.944 4.104     .  0 0 "[    .    1    .    2]" 1 
       1175 1  61 HIS HB2  1  62 GLN H    . . 4.850 4.413 4.276 4.662     .  0 0 "[    .    1    .    2]" 1 
       1176 1  61 HIS HB3  1  62 GLN H    . . 4.850 4.576 4.280 4.700     .  0 0 "[    .    1    .    2]" 1 
       1177 1  62 GLN H    1  62 GLN HB2  . . 3.540 2.890 2.783 2.946     .  0 0 "[    .    1    .    2]" 1 
       1178 1  62 GLN H    1  62 GLN HB3  . . 3.910 3.895 3.830 3.925 0.015  1 0 "[    .    1    .    2]" 1 
       1179 1  62 GLN H    1  62 GLN HG2  . . 4.250 3.967 3.788 4.192     .  0 0 "[    .    1    .    2]" 1 
       1180 1  62 GLN H    1  62 GLN HG3  . . 3.710 3.432 3.191 3.709     .  0 0 "[    .    1    .    2]" 1 
       1181 1  62 GLN H    1  63 ILE H    . . 4.440 4.106 3.976 4.297     .  0 0 "[    .    1    .    2]" 1 
       1182 1  62 GLN H    1  63 ILE HA   . . 4.800 4.448 4.352 4.540     .  0 0 "[    .    1    .    2]" 1 
       1183 1  62 GLN H    1  63 ILE HG12 . . 5.190 4.854 4.422 5.191 0.001 18 0 "[    .    1    .    2]" 1 
       1184 1  62 GLN HA   1  62 GLN HG2  . . 4.140 2.344 2.201 2.509     .  0 0 "[    .    1    .    2]" 1 
       1185 1  62 GLN HA   1  63 ILE H    . . 3.220 2.217 2.202 2.295     .  0 0 "[    .    1    .    2]" 1 
       1186 1  62 GLN HB2  1  62 GLN QE   . . 4.440 2.340 1.941 2.924     .  0 0 "[    .    1    .    2]" 1 
       1187 1  62 GLN HB2  1  62 GLN HE22 . . 5.050 3.788 3.527 4.103     .  0 0 "[    .    1    .    2]" 1 
       1188 1  62 GLN HB2  1  63 ILE H    . . 4.460 4.326 4.032 4.454     .  0 0 "[    .    1    .    2]" 1 
       1189 1  62 GLN HB2  1  63 ILE HA   . . 5.250 5.036 4.834 5.175     .  0 0 "[    .    1    .    2]" 1 
       1190 1  62 GLN HB3  1  63 ILE H    . . 3.620 3.439 3.011 3.570     .  0 0 "[    .    1    .    2]" 1 
       1191 1  62 GLN QE   1  62 GLN HG3  . . 3.310 2.479 2.186 2.734     .  0 0 "[    .    1    .    2]" 1 
       1192 1  62 GLN HE22 1  62 GLN HG3  . . 3.920 3.627 3.488 3.759     .  0 0 "[    .    1    .    2]" 1 
       1193 1  62 GLN HG2  1  63 ILE H    . . 4.450 4.363 4.221 4.450 0.000 17 0 "[    .    1    .    2]" 1 
       1194 1  62 GLN HG3  1  63 ILE H    . . 5.400 5.307 5.128 5.385     .  0 0 "[    .    1    .    2]" 1 
       1195 1  63 ILE H    1  63 ILE HB   . . 3.560 2.497 2.354 2.614     .  0 0 "[    .    1    .    2]" 1 
       1196 1  63 ILE H    1  63 ILE MD   . . 3.640 2.865 2.377 3.154     .  0 0 "[    .    1    .    2]" 1 
       1197 1  63 ILE H    1  63 ILE HG12 . . 3.640 2.451 2.109 2.679     .  0 0 "[    .    1    .    2]" 1 
       1198 1  63 ILE H    1  63 ILE HG13 . . 4.050 3.873 3.579 4.053 0.003  1 0 "[    .    1    .    2]" 1 
       1199 1  63 ILE H    1  63 ILE MG   . . 4.140 3.766 3.712 3.826     .  0 0 "[    .    1    .    2]" 1 
       1200 1  63 ILE H    1  64 GLU H    . . 4.840 4.447 4.369 4.570     .  0 0 "[    .    1    .    2]" 1 
       1201 1  63 ILE HA   1  63 ILE MD   . . 4.160 1.919 1.892 1.977     .  0 0 "[    .    1    .    2]" 1 
       1202 1  63 ILE HA   1  63 ILE MG   . . 3.540 2.305 2.170 2.442     .  0 0 "[    .    1    .    2]" 1 
       1203 1  63 ILE HA   1  64 GLU H    . . 2.880 2.182 2.176 2.217     .  0 0 "[    .    1    .    2]" 1 
       1204 1  63 ILE HA   1  67 GLU H    . . 5.500 5.092 4.730 5.290     .  0 0 "[    .    1    .    2]" 1 
       1205 1  63 ILE HB   1  63 ILE MD   . . 3.710 3.182 3.177 3.196     .  0 0 "[    .    1    .    2]" 1 
       1206 1  63 ILE HB   1  64 GLU H    . . 4.430 4.310 4.151 4.393     .  0 0 "[    .    1    .    2]" 1 
       1207 1  63 ILE MD   1  63 ILE MG   . . 2.860 2.284 2.090 2.396     .  0 0 "[    .    1    .    2]" 1 
       1208 1  63 ILE MD   1  64 GLU H    . . 4.010 3.618 3.359 3.799     .  0 0 "[    .    1    .    2]" 1 
       1209 1  63 ILE MD   1  67 GLU QB   . . 4.860 3.105 2.641 3.391     .  0 0 "[    .    1    .    2]" 1 
       1210 1  63 ILE MD   1  67 GLU QG   . . 5.130 4.500 4.063 4.826     .  0 0 "[    .    1    .    2]" 1 
       1211 1  63 ILE HG13 1  64 GLU H    . . 5.500 5.486 5.234 5.513 0.013  8 0 "[    .    1    .    2]" 1 
       1212 1  63 ILE MG   1  64 GLU H    . . 3.720 2.830 2.521 3.016     .  0 0 "[    .    1    .    2]" 1 
       1213 1  63 ILE MG   1  65 PHE HA   . . 5.190 4.557 4.360 4.770     .  0 0 "[    .    1    .    2]" 1 
       1214 1  63 ILE MG   1  66 SER H    . . 5.500 5.294 5.068 5.500 0.000  9 0 "[    .    1    .    2]" 1 
       1215 1  63 ILE MG   1  67 GLU H    . . 4.360 4.130 3.860 4.312     .  0 0 "[    .    1    .    2]" 1 
       1216 1  63 ILE MG   1  67 GLU HA   . . 4.800 4.568 4.175 4.799     .  0 0 "[    .    1    .    2]" 1 
       1217 1  63 ILE MG   1  67 GLU HB2  . . 3.660 2.362 1.952 2.715     .  0 0 "[    .    1    .    2]" 1 
       1218 1  63 ILE MG   1  67 GLU HB3  . . 3.660 2.951 2.333 3.316     .  0 0 "[    .    1    .    2]" 1 
       1219 1  63 ILE MG   1  68 PHE H    . . 3.820 2.610 2.173 3.155     .  0 0 "[    .    1    .    2]" 1 
       1220 1  63 ILE MG   1  68 PHE HA   . . 4.000 2.748 2.357 3.179     .  0 0 "[    .    1    .    2]" 1 
       1221 1  63 ILE MG   1  68 PHE HB2  . . 4.210 2.201 1.921 2.607     .  0 0 "[    .    1    .    2]" 1 
       1222 1  63 ILE MG   1  68 PHE HB3  . . 4.300 3.668 3.334 4.057     .  0 0 "[    .    1    .    2]" 1 
       1223 1  63 ILE MG   1  68 PHE QD   . . 3.820 2.229 1.806 2.604     .  0 0 "[    .    1    .    2]" 1 
       1224 1  63 ILE MG   1  68 PHE QE   . . 4.400 4.003 3.472 4.400     .  0 0 "[    .    1    .    2]" 1 
       1225 1  64 GLU H    1  64 GLU HB2  . . 3.610 2.233 2.158 2.356     .  0 0 "[    .    1    .    2]" 1 
       1226 1  64 GLU H    1  64 GLU QB   . . 3.150 2.196 2.125 2.321     .  0 0 "[    .    1    .    2]" 1 
       1227 1  64 GLU H    1  64 GLU HB3  . . 3.610 3.299 2.907 3.497     .  0 0 "[    .    1    .    2]" 1 
       1228 1  64 GLU H    1  64 GLU HG2  . . 4.600 4.502 4.390 4.598     .  0 0 "[    .    1    .    2]" 1 
       1229 1  64 GLU H    1  64 GLU HG3  . . 4.090 3.659 3.333 4.089     .  0 0 "[    .    1    .    2]" 1 
       1230 1  64 GLU H    1  65 PHE H    . . 5.180 4.578 4.518 4.641     .  0 0 "[    .    1    .    2]" 1 
       1231 1  64 GLU H    1  67 GLU H    . . 4.360 3.252 2.861 3.469     .  0 0 "[    .    1    .    2]" 1 
       1232 1  64 GLU H    1  67 GLU HA   . . 5.330 4.892 4.527 5.121     .  0 0 "[    .    1    .    2]" 1 
       1233 1  64 GLU H    1  67 GLU HB2  . . 3.910 2.087 1.947 2.386     .  0 0 "[    .    1    .    2]" 1 
       1234 1  64 GLU H    1  67 GLU QB   . . 3.400 2.074 1.934 2.365     .  0 0 "[    .    1    .    2]" 1 
       1235 1  64 GLU H    1  67 GLU HB3  . . 3.910 3.594 3.325 3.875     .  0 0 "[    .    1    .    2]" 1 
       1236 1  64 GLU H    1  67 GLU HG2  . . 4.500 4.205 3.605 4.466     .  0 0 "[    .    1    .    2]" 1 
       1237 1  64 GLU H    1  67 GLU QG   . . 3.720 2.954 2.034 3.327     .  0 0 "[    .    1    .    2]" 1 
       1238 1  64 GLU H    1  67 GLU HG3  . . 4.500 3.028 2.046 3.444     .  0 0 "[    .    1    .    2]" 1 
       1239 1  64 GLU H    1  68 PHE H    . . 4.960 3.711 3.325 3.984     .  0 0 "[    .    1    .    2]" 1 
       1240 1  64 GLU H    1  68 PHE HB2  . . 5.500 4.682 4.392 4.966     .  0 0 "[    .    1    .    2]" 1 
       1241 1  64 GLU HA   1  64 GLU HG3  . . 4.150 2.282 2.229 2.454     .  0 0 "[    .    1    .    2]" 1 
       1242 1  64 GLU HA   1  65 PHE H    . . 3.580 2.479 2.393 2.628     .  0 0 "[    .    1    .    2]" 1 
       1243 1  64 GLU QB   1  65 PHE H    . . 3.480 2.726 2.247 3.244     .  0 0 "[    .    1    .    2]" 1 
       1244 1  64 GLU QB   1  66 SER H    . . 3.820 2.246 2.171 2.344     .  0 0 "[    .    1    .    2]" 1 
       1245 1  64 GLU QB   1  67 GLU H    . . 4.630 2.582 2.176 2.959     .  0 0 "[    .    1    .    2]" 1 
       1246 1  64 GLU HB2  1  66 SER H    . . 4.620 3.582 3.285 4.035     .  0 0 "[    .    1    .    2]" 1 
       1247 1  64 GLU HB3  1  66 SER H    . . 4.620 2.272 2.200 2.384     .  0 0 "[    .    1    .    2]" 1 
       1248 1  64 GLU HG2  1  65 PHE H    . . 3.440 3.010 2.121 3.442 0.002 15 0 "[    .    1    .    2]" 1 
       1249 1  64 GLU HG3  1  65 PHE H    . . 4.090 3.875 3.277 4.090     .  0 0 "[    .    1    .    2]" 1 
       1250 1  65 PHE H    1  65 PHE HB2  . . 3.500 2.142 1.978 2.270     .  0 0 "[    .    1    .    2]" 1 
       1251 1  65 PHE H    1  65 PHE HB3  . . 3.500 2.602 2.435 2.860     .  0 0 "[    .    1    .    2]" 1 
       1252 1  65 PHE H    1  65 PHE QD   . . 4.350 3.954 3.774 4.053     .  0 0 "[    .    1    .    2]" 1 
       1253 1  65 PHE H    1  66 SER H    . . 3.980 2.749 2.568 2.880     .  0 0 "[    .    1    .    2]" 1 
       1254 1  65 PHE H    1  67 GLU H    . . 5.490 4.421 4.163 4.716     .  0 0 "[    .    1    .    2]" 1 
       1255 1  65 PHE H    1  68 PHE HB3  . . 5.500 5.417 5.217 5.503 0.003 20 0 "[    .    1    .    2]" 1 
       1256 1  65 PHE HA   1  65 PHE QD   . . 3.650 2.534 1.997 3.076     .  0 0 "[    .    1    .    2]" 1 
       1257 1  65 PHE HA   1  68 PHE H    . . 4.380 3.805 3.569 3.972     .  0 0 "[    .    1    .    2]" 1 
       1258 1  65 PHE HA   1  68 PHE HB2  . . 4.110 3.402 3.106 3.715     .  0 0 "[    .    1    .    2]" 1 
       1259 1  65 PHE HA   1  68 PHE HB3  . . 4.420 3.050 2.679 3.208     .  0 0 "[    .    1    .    2]" 1 
       1260 1  65 PHE HA   1  69 LEU H    . . 4.460 4.112 3.758 4.465 0.005  4 0 "[    .    1    .    2]" 1 
       1261 1  65 PHE QB   1  66 SER H    . . 3.400 2.855 2.691 2.965     .  0 0 "[    .    1    .    2]" 1 
       1262 1  65 PHE HB2  1  66 SER H    . . 4.070 3.906 3.670 4.070     .  0 0 "[    .    1    .    2]" 1 
       1263 1  65 PHE HB3  1  66 SER H    . . 4.070 2.937 2.757 3.093     .  0 0 "[    .    1    .    2]" 1 
       1264 1  65 PHE QD   1  66 SER H    . . 4.510 4.367 4.201 4.513 0.003 10 0 "[    .    1    .    2]" 1 
       1265 1  65 PHE QE   1  69 LEU QB   . . 5.340 4.981 4.577 5.330     .  0 0 "[    .    1    .    2]" 1 
       1266 1  65 PHE QE   1  69 LEU QD   . . 3.980 2.459 1.961 3.015     .  0 0 "[    .    1    .    2]" 1 
       1267 1  65 PHE HZ   1  69 LEU MD1  . . 4.760 3.657 3.048 4.328     .  0 0 "[    .    1    .    2]" 1 
       1268 1  65 PHE HZ   1  69 LEU QD   . . 4.040 3.266 2.768 3.861     .  0 0 "[    .    1    .    2]" 1 
       1269 1  65 PHE HZ   1  69 LEU MD2  . . 4.760 3.730 3.100 4.622     .  0 0 "[    .    1    .    2]" 1 
       1270 1  66 SER H    1  66 SER HB2  . . 3.690 2.623 2.152 3.590     .  0 0 "[    .    1    .    2]" 1 
       1271 1  66 SER H    1  66 SER QB   . . 3.070 2.353 2.121 2.743     .  0 0 "[    .    1    .    2]" 1 
       1272 1  66 SER H    1  66 SER HB3  . . 3.690 3.041 2.178 3.603     .  0 0 "[    .    1    .    2]" 1 
       1273 1  66 SER H    1  67 GLU H    . . 3.760 2.428 2.262 2.574     .  0 0 "[    .    1    .    2]" 1 
       1274 1  66 SER H    1  68 PHE H    . . 4.940 3.994 3.573 4.326     .  0 0 "[    .    1    .    2]" 1 
       1275 1  66 SER H    1  69 LEU QD   . . 5.440 4.557 4.331 4.876     .  0 0 "[    .    1    .    2]" 1 
       1276 1  66 SER HA   1  69 LEU H    . . 4.430 3.652 3.289 3.830     .  0 0 "[    .    1    .    2]" 1 
       1277 1  66 SER HA   1  69 LEU HB2  . . 4.740 2.928 2.697 3.096     .  0 0 "[    .    1    .    2]" 1 
       1278 1  66 SER HA   1  69 LEU QB   . . 4.140 2.884 2.668 3.049     .  0 0 "[    .    1    .    2]" 1 
       1279 1  66 SER HA   1  69 LEU HB3  . . 4.740 4.335 4.145 4.574     .  0 0 "[    .    1    .    2]" 1 
       1280 1  66 SER HA   1  69 LEU QD   . . 5.050 3.447 3.106 3.679     .  0 0 "[    .    1    .    2]" 1 
       1281 1  66 SER HA   1  70 ALA H    . . 5.230 4.301 3.744 4.767     .  0 0 "[    .    1    .    2]" 1 
       1282 1  66 SER HB2  1  67 GLU H    . . 4.310 3.203 2.422 4.131     .  0 0 "[    .    1    .    2]" 1 
       1283 1  66 SER HB3  1  67 GLU H    . . 4.310 3.237 2.331 4.056     .  0 0 "[    .    1    .    2]" 1 
       1284 1  67 GLU H    1  67 GLU HB2  . . 3.820 2.456 2.244 2.625     .  0 0 "[    .    1    .    2]" 1 
       1285 1  67 GLU H    1  67 GLU QB   . . 3.290 2.412 2.219 2.559     .  0 0 "[    .    1    .    2]" 1 
       1286 1  67 GLU H    1  67 GLU HB3  . . 3.820 3.544 3.501 3.556     .  0 0 "[    .    1    .    2]" 1 
       1287 1  67 GLU H    1  67 GLU HG2  . . 3.770 3.297 2.542 3.719     .  0 0 "[    .    1    .    2]" 1 
       1288 1  67 GLU H    1  67 GLU QG   . . 3.200 2.149 1.928 2.548     .  0 0 "[    .    1    .    2]" 1 
       1289 1  67 GLU H    1  67 GLU HG3  . . 3.770 2.184 1.949 2.595     .  0 0 "[    .    1    .    2]" 1 
       1290 1  67 GLU H    1  68 PHE H    . . 3.480 2.762 2.563 2.926     .  0 0 "[    .    1    .    2]" 1 
       1291 1  67 GLU H    1  68 PHE HB2  . . 4.790 4.676 4.428 4.786     .  0 0 "[    .    1    .    2]" 1 
       1292 1  67 GLU H    1  68 PHE HB3  . . 5.490 4.954 4.677 5.227     .  0 0 "[    .    1    .    2]" 1 
       1293 1  67 GLU H    1  69 LEU H    . . 5.180 4.294 3.993 4.807     .  0 0 "[    .    1    .    2]" 1 
       1294 1  67 GLU HA   1  67 GLU HG2  . . 3.480 2.481 2.297 2.747     .  0 0 "[    .    1    .    2]" 1 
       1295 1  67 GLU HA   1  67 GLU QG   . . 3.040 2.357 2.244 2.447     .  0 0 "[    .    1    .    2]" 1 
       1296 1  67 GLU HA   1  67 GLU HG3  . . 3.480 3.013 2.712 3.486 0.006 15 0 "[    .    1    .    2]" 1 
       1297 1  67 GLU HA   1  70 ALA H    . . 4.190 3.259 2.936 3.660     .  0 0 "[    .    1    .    2]" 1 
       1298 1  67 GLU HA   1  70 ALA MB   . . 3.460 2.201 1.956 2.634     .  0 0 "[    .    1    .    2]" 1 
       1299 1  67 GLU HA   1  71 LEU H    . . 5.060 4.585 4.312 5.050     .  0 0 "[    .    1    .    2]" 1 
       1300 1  67 GLU QB   1  68 PHE H    . . 3.690 2.487 2.245 2.905     .  0 0 "[    .    1    .    2]" 1 
       1301 1  67 GLU HB2  1  68 PHE H    . . 4.280 2.541 2.282 2.979     .  0 0 "[    .    1    .    2]" 1 
       1302 1  67 GLU HB3  1  68 PHE H    . . 4.280 3.562 3.297 4.032     .  0 0 "[    .    1    .    2]" 1 
       1303 1  67 GLU QG   1  68 PHE H    . . 4.360 4.062 3.793 4.309     .  0 0 "[    .    1    .    2]" 1 
       1304 1  67 GLU HG2  1  68 PHE H    . . 5.100 4.957 4.613 5.100     .  0 0 "[    .    1    .    2]" 1 
       1305 1  67 GLU HG3  1  68 PHE H    . . 5.100 4.316 4.008 4.647     .  0 0 "[    .    1    .    2]" 1 
       1306 1  68 PHE H    1  68 PHE HB2  . . 3.550 2.120 1.976 2.308     .  0 0 "[    .    1    .    2]" 1 
       1307 1  68 PHE H    1  68 PHE HB3  . . 3.640 2.637 2.388 2.817     .  0 0 "[    .    1    .    2]" 1 
       1308 1  68 PHE H    1  68 PHE QD   . . 4.100 3.936 3.734 4.062     .  0 0 "[    .    1    .    2]" 1 
       1309 1  68 PHE H    1  69 LEU H    . . 3.540 2.875 2.610 3.009     .  0 0 "[    .    1    .    2]" 1 
       1310 1  68 PHE H    1  70 ALA H    . . 5.030 3.918 3.563 4.322     .  0 0 "[    .    1    .    2]" 1 
       1311 1  68 PHE HA   1  69 LEU QD   . . 4.990 4.564 4.215 4.924     .  0 0 "[    .    1    .    2]" 1 
       1312 1  68 PHE HA   1  71 LEU H    . . 4.080 3.493 3.120 3.925     .  0 0 "[    .    1    .    2]" 1 
       1313 1  68 PHE HB2  1  69 LEU H    . . 3.660 3.573 3.355 3.680 0.020  4 0 "[    .    1    .    2]" 1 
       1314 1  68 PHE HB2  1  71 LEU QD   . . 5.170 4.287 3.643 4.988     .  0 0 "[    .    1    .    2]" 1 
       1315 1  68 PHE HB3  1  69 LEU H    . . 4.130 2.325 1.950 2.607     .  0 0 "[    .    1    .    2]" 1 
       1316 1  68 PHE HB3  1  69 LEU QB   . . 4.950 3.970 3.779 4.108     .  0 0 "[    .    1    .    2]" 1 
       1317 1  68 PHE HB3  1  69 LEU HG   . . 5.500 4.798 4.570 5.128     .  0 0 "[    .    1    .    2]" 1 
       1318 1  68 PHE QD   1  69 LEU H    . . 4.060 3.726 3.058 4.067 0.007  4 0 "[    .    1    .    2]" 1 
       1319 1  68 PHE QD   1  69 LEU HA   . . 4.910 3.792 2.961 4.562     .  0 0 "[    .    1    .    2]" 1 
       1320 1  68 PHE HZ   1 105 LEU QD   . . 4.550 2.229 1.741 2.751     .  0 0 "[    .    1    .    2]" 1 
       1321 1  69 LEU H    1  69 LEU HB2  . . 3.680 2.119 2.082 2.164     .  0 0 "[    .    1    .    2]" 1 
       1322 1  69 LEU H    1  69 LEU QB   . . 3.050 2.100 2.064 2.143     .  0 0 "[    .    1    .    2]" 1 
       1323 1  69 LEU H    1  69 LEU HB3  . . 3.680 3.423 3.400 3.458     .  0 0 "[    .    1    .    2]" 1 
       1324 1  69 LEU H    1  69 LEU MD1  . . 4.500 2.106 1.933 2.307     .  0 0 "[    .    1    .    2]" 1 
       1325 1  69 LEU H    1  69 LEU QD   . . 3.940 2.099 1.928 2.288     .  0 0 "[    .    1    .    2]" 1 
       1326 1  69 LEU H    1  69 LEU MD2  . . 4.500 4.057 3.804 4.191     .  0 0 "[    .    1    .    2]" 1 
       1327 1  69 LEU H    1  69 LEU HG   . . 4.250 3.873 3.592 4.251 0.001  4 0 "[    .    1    .    2]" 1 
       1328 1  69 LEU H    1  70 ALA H    . . 3.590 2.561 2.314 2.862     .  0 0 "[    .    1    .    2]" 1 
       1329 1  69 LEU H    1  70 ALA MB   . . 4.480 4.121 3.921 4.408     .  0 0 "[    .    1    .    2]" 1 
       1330 1  69 LEU H    1  71 LEU H    . . 5.030 4.120 3.779 4.634     .  0 0 "[    .    1    .    2]" 1 
       1331 1  69 LEU HA   1  69 LEU MD1  . . 3.800 2.740 2.306 2.970     .  0 0 "[    .    1    .    2]" 1 
       1332 1  69 LEU HA   1  69 LEU QD   . . 3.330 2.664 2.287 2.829     .  0 0 "[    .    1    .    2]" 1 
       1333 1  69 LEU HA   1  69 LEU MD2  . . 3.800 3.679 3.558 3.806 0.006  4 0 "[    .    1    .    2]" 1 
       1334 1  69 LEU HA   1  69 LEU HG   . . 4.090 2.308 2.192 2.604     .  0 0 "[    .    1    .    2]" 1 
       1335 1  69 LEU HA   1  71 LEU H    . . 4.570 3.942 3.637 4.442     .  0 0 "[    .    1    .    2]" 1 
       1336 1  69 LEU HA   1  72 MET H    . . 4.560 3.317 2.827 3.541     .  0 0 "[    .    1    .    2]" 1 
       1337 1  69 LEU HA   1  72 MET QB   . . 3.860 3.074 1.984 3.684     .  0 0 "[    .    1    .    2]" 1 
       1338 1  69 LEU QB   1  70 ALA H    . . 3.510 2.991 2.711 3.275     .  0 0 "[    .    1    .    2]" 1 
       1339 1  69 LEU QB   1  70 ALA HA   . . 4.990 3.975 3.866 4.082     .  0 0 "[    .    1    .    2]" 1 
       1340 1  69 LEU QB   1  72 MET H    . . 5.340 4.598 4.351 4.987     .  0 0 "[    .    1    .    2]" 1 
       1341 1  69 LEU QB   1  72 MET ME   . . 4.590 3.725 3.387 4.161     .  0 0 "[    .    1    .    2]" 1 
       1342 1  69 LEU HB2  1  70 ALA H    . . 4.150 3.176 2.874 3.494     .  0 0 "[    .    1    .    2]" 1 
       1343 1  69 LEU HB3  1  70 ALA H    . . 4.150 3.651 3.323 3.958     .  0 0 "[    .    1    .    2]" 1 
       1344 1  69 LEU QD   1  70 ALA H    . . 4.560 4.038 3.917 4.162     .  0 0 "[    .    1    .    2]" 1 
       1345 1  69 LEU QD   1  72 MET ME   . . 3.570 2.829 2.021 3.469     .  0 0 "[    .    1    .    2]" 1 
       1346 1  69 LEU MD1  1  70 ALA H    . . 5.310 4.250 4.146 4.399     .  0 0 "[    .    1    .    2]" 1 
       1347 1  69 LEU MD1  1  72 MET ME   . . 4.460 2.906 2.024 3.638     .  0 0 "[    .    1    .    2]" 1 
       1348 1  69 LEU MD2  1  70 ALA H    . . 5.310 5.052 4.733 5.267     .  0 0 "[    .    1    .    2]" 1 
       1349 1  69 LEU MD2  1  72 MET ME   . . 4.460 4.107 3.575 4.463 0.003  4 0 "[    .    1    .    2]" 1 
       1350 1  69 LEU HG   1  70 ALA H    . . 5.470 5.220 5.100 5.471 0.001  4 0 "[    .    1    .    2]" 1 
       1351 1  69 LEU HG   1  72 MET H    . . 5.500 5.358 5.102 5.502 0.002  5 0 "[    .    1    .    2]" 1 
       1352 1  69 LEU HG   1  72 MET ME   . . 4.850 2.835 2.137 3.670     .  0 0 "[    .    1    .    2]" 1 
       1353 1  70 ALA H    1  70 ALA MB   . . 3.030 2.066 1.933 2.177     .  0 0 "[    .    1    .    2]" 1 
       1354 1  70 ALA H    1  71 LEU H    . . 3.030 2.613 2.320 2.830     .  0 0 "[    .    1    .    2]" 1 
       1355 1  70 ALA H    1  71 LEU QB   . . 5.010 4.651 3.939 5.075 0.065  4 0 "[    .    1    .    2]" 1 
       1356 1  70 ALA H    1  72 MET H    . . 4.340 4.093 3.833 4.318     .  0 0 "[    .    1    .    2]" 1 
       1357 1  70 ALA HA   1  72 MET H    . . 4.660 3.935 3.485 4.407     .  0 0 "[    .    1    .    2]" 1 
       1358 1  70 ALA HA   1  73 SER H    . . 5.000 3.004 2.596 3.502     .  0 0 "[    .    1    .    2]" 1 
       1359 1  70 ALA HA   1  74 ARG H    . . 4.960 4.227 3.540 4.831     .  0 0 "[    .    1    .    2]" 1 
       1360 1  70 ALA MB   1  71 LEU H    . . 3.060 2.808 2.403 3.067 0.007 12 0 "[    .    1    .    2]" 1 
       1361 1  71 LEU H    1  71 LEU HB2  . . 3.630 2.821 2.488 3.522     .  0 0 "[    .    1    .    2]" 1 
       1362 1  71 LEU H    1  71 LEU QB   . . 3.020 2.435 1.987 2.722     .  0 0 "[    .    1    .    2]" 1 
       1363 1  71 LEU H    1  71 LEU HB3  . . 3.630 3.146 2.008 3.541     .  0 0 "[    .    1    .    2]" 1 
       1364 1  71 LEU H    1  71 LEU MD1  . . 4.440 3.731 2.865 4.433     .  0 0 "[    .    1    .    2]" 1 
       1365 1  71 LEU H    1  71 LEU QD   . . 3.880 2.662 1.926 3.130     .  0 0 "[    .    1    .    2]" 1 
       1366 1  71 LEU H    1  71 LEU MD2  . . 4.440 2.802 1.933 4.197     .  0 0 "[    .    1    .    2]" 1 
       1367 1  71 LEU H    1  71 LEU HG   . . 4.120 2.470 1.947 4.289 0.169 13 0 "[    .    1    .    2]" 1 
       1368 1  71 LEU H    1  72 MET H    . . 3.620 2.632 2.243 2.872     .  0 0 "[    .    1    .    2]" 1 
       1369 1  71 LEU H    1  72 MET ME   . . 4.060 3.801 3.343 4.046     .  0 0 "[    .    1    .    2]" 1 
       1370 1  71 LEU HA   1  71 LEU MD1  . . 4.330 3.730 3.390 4.071     .  0 0 "[    .    1    .    2]" 1 
       1371 1  71 LEU HA   1  71 LEU QD   . . 3.240 2.314 1.920 3.307 0.067  4 0 "[    .    1    .    2]" 1 
       1372 1  71 LEU HA   1  71 LEU MD2  . . 4.330 2.473 1.926 4.116     .  0 0 "[    .    1    .    2]" 1 
       1373 1  71 LEU HA   1  71 LEU HG   . . 4.010 3.403 3.014 4.069 0.059 13 0 "[    .    1    .    2]" 1 
       1374 1  71 LEU HA   1  74 ARG H    . . 4.540 3.667 2.927 4.202     .  0 0 "[    .    1    .    2]" 1 
       1375 1  71 LEU HA   1  74 ARG QD   . . 3.920 2.856 1.977 3.921 0.001  8 0 "[    .    1    .    2]" 1 
       1376 1  71 LEU HA   1  74 ARG HG2  . . 4.900 3.168 2.082 4.513     .  0 0 "[    .    1    .    2]" 1 
       1377 1  71 LEU HA   1  74 ARG QG   . . 4.180 2.548 1.978 3.415     .  0 0 "[    .    1    .    2]" 1 
       1378 1  71 LEU HA   1  74 ARG HG3  . . 4.900 3.314 1.998 4.752     .  0 0 "[    .    1    .    2]" 1 
       1379 1  71 LEU QB   1  72 MET H    . . 3.670 3.044 2.517 3.563     .  0 0 "[    .    1    .    2]" 1 
       1380 1  71 LEU HB2  1  72 MET H    . . 4.390 3.342 2.557 4.402 0.012 12 0 "[    .    1    .    2]" 1 
       1381 1  71 LEU HB3  1  72 MET H    . . 4.390 3.920 3.290 4.295     .  0 0 "[    .    1    .    2]" 1 
       1382 1  71 LEU QD   1  72 MET H    . . 5.120 3.707 1.954 4.254     .  0 0 "[    .    1    .    2]" 1 
       1383 1  71 LEU QD   1  74 ARG H    . . 5.200 4.885 3.794 5.206 0.006  2 0 "[    .    1    .    2]" 1 
       1384 1  71 LEU QD   1  74 ARG QD   . . 4.110 3.370 2.503 4.090     .  0 0 "[    .    1    .    2]" 1 
       1385 1  71 LEU HG   1  72 MET H    . . 4.410 3.928 1.950 4.453 0.043 13 0 "[    .    1    .    2]" 1 
       1386 1  72 MET H    1  72 MET HB2  . . 3.710 2.294 2.065 2.596     .  0 0 "[    .    1    .    2]" 1 
       1387 1  72 MET H    1  72 MET QB   . . 3.190 2.265 2.047 2.545     .  0 0 "[    .    1    .    2]" 1 
       1388 1  72 MET H    1  72 MET HB3  . . 3.710 3.516 3.354 3.669     .  0 0 "[    .    1    .    2]" 1 
       1389 1  72 MET H    1  72 MET ME   . . 4.400 2.770 2.149 3.507     .  0 0 "[    .    1    .    2]" 1 
       1390 1  72 MET H    1  72 MET QG   . . 3.420 2.726 2.131 3.213     .  0 0 "[    .    1    .    2]" 1 
       1391 1  72 MET H    1  73 SER H    . . 4.170 2.359 2.122 2.652     .  0 0 "[    .    1    .    2]" 1 
       1392 1  72 MET HA   1  72 MET ME   . . 4.710 4.146 3.733 4.717 0.007 12 0 "[    .    1    .    2]" 1 
       1393 1  72 MET HA   1  72 MET HG2  . . 3.140 2.735 2.542 2.866     .  0 0 "[    .    1    .    2]" 1 
       1394 1  72 MET HA   1  72 MET QG   . . 2.750 2.375 2.221 2.588     .  0 0 "[    .    1    .    2]" 1 
       1395 1  72 MET HA   1  72 MET HG3  . . 3.140 2.640 2.332 3.098     .  0 0 "[    .    1    .    2]" 1 
       1396 1  72 MET ME   1  72 MET HG2  . . 3.670 3.250 2.894 3.382     .  0 0 "[    .    1    .    2]" 1 
       1397 1  72 MET ME   1  72 MET QG   . . 3.160 2.206 1.957 2.396     .  0 0 "[    .    1    .    2]" 1 
       1398 1  72 MET ME   1  72 MET HG3  . . 3.670 2.246 1.979 2.452     .  0 0 "[    .    1    .    2]" 1 
       1399 1  73 SER H    1  74 ARG H    . . 4.030 2.204 1.899 2.747     .  0 0 "[    .    1    .    2]" 1 
       1400 1  74 ARG H    1  74 ARG QB   . . 3.540 2.456 2.116 2.791     .  0 0 "[    .    1    .    2]" 1 
       1401 1  74 ARG H    1  74 ARG QD   . . 4.510 4.008 3.486 4.510 0.000  9 0 "[    .    1    .    2]" 1 
       1402 1  74 ARG H    1  74 ARG HG2  . . 4.420 2.626 1.960 3.901     .  0 0 "[    .    1    .    2]" 1 
       1403 1  74 ARG H    1  74 ARG QG   . . 3.600 2.286 1.904 3.115     .  0 0 "[    .    1    .    2]" 1 
       1404 1  74 ARG H    1  74 ARG HG3  . . 4.420 2.922 1.983 3.828     .  0 0 "[    .    1    .    2]" 1 
       1405 1  74 ARG H    1  75 GLN H    . . 4.350 2.721 2.236 4.386 0.036  2 0 "[    .    1    .    2]" 1 
       1406 1  74 ARG HA   1  74 ARG QD   . . 4.860 4.189 3.276 4.695     .  0 0 "[    .    1    .    2]" 1 
       1407 1  74 ARG HA   1  74 ARG HG2  . . 3.910 3.142 2.123 3.863     .  0 0 "[    .    1    .    2]" 1 
       1408 1  74 ARG HA   1  74 ARG HG3  . . 3.910 3.471 2.755 3.799     .  0 0 "[    .    1    .    2]" 1 
       1409 1  74 ARG QB   1  74 ARG QD   . . 2.890 2.221 2.025 2.577     .  0 0 "[    .    1    .    2]" 1 
       1410 1  74 ARG QB   1  75 GLN H    . . 4.610 3.229 1.936 4.006     .  0 0 "[    .    1    .    2]" 1 
       1411 1  74 ARG QD   1  85 LEU HA   . . 5.100 4.912 4.369 5.103 0.003  3 0 "[    .    1    .    2]" 1 
       1412 1  74 ARG QD   1  85 LEU MD2  . . 4.500 4.085 2.738 4.502 0.002 10 0 "[    .    1    .    2]" 1 
       1413 1  74 ARG QG   1  75 GLN H    . . 4.530 3.341 1.922 4.535 0.005 20 0 "[    .    1    .    2]" 1 
       1414 1  75 GLN H    1  75 GLN QB   . . 3.580 2.485 2.089 3.362     .  0 0 "[    .    1    .    2]" 1 
       1415 1  75 GLN H    1  75 GLN QG   . . 3.990 3.090 2.245 3.975     .  0 0 "[    .    1    .    2]" 1 
       1416 1  75 GLN QE   1  86 LEU HA   . . 5.100 3.638 1.993 4.911     .  0 0 "[    .    1    .    2]" 1 
       1417 1  75 GLN QE   1  99 LEU QD   . . 4.760 3.216 1.903 4.364     .  0 0 "[    .    1    .    2]" 1 
       1418 1  75 GLN QE   1 100 ILE H    . . 4.980 3.583 2.466 4.756     .  0 0 "[    .    1    .    2]" 1 
       1419 1  75 GLN QG   1  86 LEU QB   . . 4.160 2.679 1.765 4.007     .  0 0 "[    .    1    .    2]" 1 
       1420 1  75 GLN QG   1  99 LEU HG   . . 4.750 3.918 2.369 4.645     .  0 0 "[    .    1    .    2]" 1 
       1421 1  75 GLN QG   1 100 ILE H    . . 5.010 4.204 2.863 5.002     .  0 0 "[    .    1    .    2]" 1 
       1422 1  77 LYS HA   1  77 LYS QD   . . 4.200 3.228 1.991 4.200 0.000 16 0 "[    .    1    .    2]" 1 
       1423 1  77 LYS HA   1  77 LYS HG2  . . 4.230 3.189 2.119 4.233 0.003 10 0 "[    .    1    .    2]" 1 
       1424 1  77 LYS HA   1  77 LYS QG   . . 3.550 2.635 2.100 3.416     .  0 0 "[    .    1    .    2]" 1 
       1425 1  77 LYS HA   1  77 LYS HG3  . . 4.230 3.135 2.202 4.211     .  0 0 "[    .    1    .    2]" 1 
       1426 1  77 LYS QB   1  77 LYS QD   . . 3.020 2.363 2.061 2.688     .  0 0 "[    .    1    .    2]" 1 
       1427 1  77 LYS QB   1  77 LYS QE   . . 2.890 2.385 2.035 2.890 0.000 13 0 "[    .    1    .    2]" 1 
       1428 1  77 LYS QB   1  78 SER H    . . 3.930 3.314 2.013 3.930 0.000 17 0 "[    .    1    .    2]" 1 
       1429 1  77 LYS HB2  1  77 LYS QD   . . 3.490 2.820 2.098 3.510 0.020  7 0 "[    .    1    .    2]" 1 
       1430 1  77 LYS HB2  1  78 SER H    . . 4.580 3.957 2.966 4.583 0.003  3 0 "[    .    1    .    2]" 1 
       1431 1  77 LYS HB3  1  77 LYS QD   . . 3.490 2.929 2.263 3.453     .  0 0 "[    .    1    .    2]" 1 
       1432 1  77 LYS HB3  1  78 SER H    . . 4.580 3.743 2.028 4.589 0.009  8 0 "[    .    1    .    2]" 1 
       1433 1  77 LYS QD   1  78 SER QB   . . 4.670 4.122 2.776 4.679 0.009 15 0 "[    .    1    .    2]" 1 
       1434 1  77 LYS QE   1  77 LYS HG2  . . 3.610 2.865 2.123 3.613 0.003 18 0 "[    .    1    .    2]" 1 
       1435 1  77 LYS QE   1  77 LYS QG   . . 3.110 2.322 2.098 2.935     .  0 0 "[    .    1    .    2]" 1 
       1436 1  77 LYS QE   1  77 LYS HG3  . . 3.610 2.857 2.167 3.557     .  0 0 "[    .    1    .    2]" 1 
       1437 1  77 LYS QG   1  78 SER H    . . 4.900 3.348 1.800 4.680     .  0 0 "[    .    1    .    2]" 1 
       1438 1  79 ASN HA   1  80 ASP HB2  . . 5.180 4.629 4.136 5.181 0.001  7 0 "[    .    1    .    2]" 1 
       1439 1  79 ASN HA   1  80 ASP HB3  . . 5.180 4.952 4.531 5.182 0.002 20 0 "[    .    1    .    2]" 1 
       1440 1  79 ASN QB   1  80 ASP H    . . 4.440 3.316 1.943 4.038     .  0 0 "[    .    1    .    2]" 1 
       1441 1  80 ASP QB   1  81 SER H    . . 4.050 3.671 2.517 4.051 0.001 10 0 "[    .    1    .    2]" 1 
       1442 1  80 ASP HB2  1  81 SER H    . . 4.690 4.406 3.782 4.693 0.003 11 0 "[    .    1    .    2]" 1 
       1443 1  80 ASP HB3  1  81 SER H    . . 4.690 3.966 2.551 4.624     .  0 0 "[    .    1    .    2]" 1 
       1444 1  81 SER H    1  81 SER HB2  . . 4.180 3.109 2.168 4.076     .  0 0 "[    .    1    .    2]" 1 
       1445 1  81 SER H    1  81 SER HB3  . . 4.180 3.463 2.274 4.098     .  0 0 "[    .    1    .    2]" 1 
       1446 1  81 SER H    1  82 GLU H    . . 4.400 3.573 2.240 4.377     .  0 0 "[    .    1    .    2]" 1 
       1447 1  81 SER HB2  1  82 GLU H    . . 4.370 3.475 2.269 4.247     .  0 0 "[    .    1    .    2]" 1 
       1448 1  81 SER HB3  1  82 GLU H    . . 4.370 3.134 1.986 4.365     .  0 0 "[    .    1    .    2]" 1 
       1449 1  82 GLU H    1  82 GLU HB2  . . 4.110 2.637 2.103 3.433     .  0 0 "[    .    1    .    2]" 1 
       1450 1  82 GLU H    1  82 GLU QB   . . 3.560 2.189 2.062 2.344     .  0 0 "[    .    1    .    2]" 1 
       1451 1  82 GLU H    1  82 GLU HB3  . . 4.110 2.498 2.116 2.970     .  0 0 "[    .    1    .    2]" 1 
       1452 1  82 GLU H    1  82 GLU HG2  . . 4.630 4.299 2.938 4.637 0.007 15 0 "[    .    1    .    2]" 1 
       1453 1  82 GLU H    1  82 GLU HG3  . . 4.630 4.399 4.108 4.564     .  0 0 "[    .    1    .    2]" 1 
       1454 1  82 GLU H    1  83 GLN H    . . 4.630 4.045 1.974 4.654 0.024 15 0 "[    .    1    .    2]" 1 
       1455 1  82 GLU HA   1  82 GLU HG2  . . 3.620 3.499 3.071 3.672 0.052  6 0 "[    .    1    .    2]" 1 
       1456 1  82 GLU HA   1  82 GLU QG   . . 3.160 2.656 2.055 3.263 0.103 13 0 "[    .    1    .    2]" 1 
       1457 1  82 GLU HA   1  82 GLU HG3  . . 3.620 2.781 2.088 3.662 0.042 13 0 "[    .    1    .    2]" 1 
       1458 1  82 GLU HA   1  83 GLN H    . . 3.530 2.608 2.202 3.639 0.109 17 0 "[    .    1    .    2]" 1 
       1459 1  82 GLU QB   1  83 GLN H    . . 3.940 3.323 1.839 3.969 0.029  9 0 "[    .    1    .    2]" 1 
       1460 1  82 GLU HB2  1  83 GLN H    . . 4.620 4.058 3.252 4.621 0.001 18 0 "[    .    1    .    2]" 1 
       1461 1  82 GLU HB3  1  83 GLN H    . . 4.620 3.732 1.847 4.581     .  0 0 "[    .    1    .    2]" 1 
       1462 1  82 GLU QG   1  83 GLN H    . . 3.760 3.049 1.896 3.779 0.019  6 0 "[    .    1    .    2]" 1 
       1463 1  83 GLN H    1  83 GLN HB2  . . 3.950 2.751 2.310 3.562     .  0 0 "[    .    1    .    2]" 1 
       1464 1  83 GLN H    1  83 GLN QB   . . 3.230 2.597 2.281 3.232 0.002 17 0 "[    .    1    .    2]" 1 
       1465 1  83 GLN H    1  83 GLN HB3  . . 3.950 3.564 2.504 3.952 0.002  7 0 "[    .    1    .    2]" 1 
       1466 1  83 GLN H    1  83 GLN QG   . . 4.060 2.963 2.075 4.068 0.008 10 0 "[    .    1    .    2]" 1 
       1467 1  83 GLN H    1  84 GLU H    . . 4.280 2.471 1.888 4.410 0.130 15 0 "[    .    1    .    2]" 1 
       1468 1  83 GLN HA   1  83 GLN QG   . . 3.410 2.613 2.057 3.423 0.013 15 0 "[    .    1    .    2]" 1 
       1469 1  83 GLN HA   1  84 GLU H    . . 3.500 3.207 2.772 3.598 0.098  5 0 "[    .    1    .    2]" 1 
       1470 1  83 GLN QB   1  83 GLN QE   . . 3.930 2.899 1.902 3.720     .  0 0 "[    .    1    .    2]" 1 
       1471 1  83 GLN QB   1  83 GLN QG   . . 2.500 2.061 1.990 2.134     .  0 0 "[    .    1    .    2]" 1 
       1472 1  83 GLN QB   1  84 GLU H    . . 4.050 3.362 1.907 3.914     .  0 0 "[    .    1    .    2]" 1 
       1473 1  83 GLN HB2  1  83 GLN HE22 . . 5.170 4.791 3.295 5.207 0.037  5 0 "[    .    1    .    2]" 1 
       1474 1  83 GLN HB2  1  84 GLU H    . . 4.780 3.664 1.925 4.404     .  0 0 "[    .    1    .    2]" 1 
       1475 1  83 GLN HB3  1  83 GLN HE22 . . 5.170 4.133 3.555 5.313 0.143 15 0 "[    .    1    .    2]" 1 
       1476 1  83 GLN HB3  1  84 GLU H    . . 4.780 4.070 1.947 4.538     .  0 0 "[    .    1    .    2]" 1 
       1477 1  83 GLN QE   1  99 LEU QD   . . 4.850 4.721 4.364 4.860 0.010  5 0 "[    .    1    .    2]" 1 
       1478 1  83 GLN QG   1  84 GLU H    . . 4.640 4.382 2.790 4.641 0.001 16 0 "[    .    1    .    2]" 1 
       1479 1  84 GLU H    1  84 GLU QB   . . 3.690 2.426 2.176 2.994     .  0 0 "[    .    1    .    2]" 1 
       1480 1  84 GLU H    1  84 GLU QG   . . 4.020 2.956 1.783 4.037 0.017  4 0 "[    .    1    .    2]" 1 
       1481 1  84 GLU HA   1  84 GLU QG   . . 3.180 2.609 2.213 3.287 0.107 10 0 "[    .    1    .    2]" 1 
       1482 1  84 GLU HA   1  85 LEU H    . . 3.580 3.484 3.376 3.623 0.043  5 0 "[    .    1    .    2]" 1 
       1483 1  84 GLU QB   1  84 GLU QG   . . 2.480 2.098 2.043 2.135     .  0 0 "[    .    1    .    2]" 1 
       1484 1  84 GLU QB   1  85 LEU H    . . 3.910 3.186 2.584 3.844     .  0 0 "[    .    1    .    2]" 1 
       1485 1  84 GLU QG   1  85 LEU H    . . 4.460 3.859 2.081 4.454     .  0 0 "[    .    1    .    2]" 1 
       1486 1  85 LEU H    1  85 LEU HB2  . . 3.870 2.407 2.216 2.783     .  0 0 "[    .    1    .    2]" 1 
       1487 1  85 LEU H    1  85 LEU QB   . . 3.140 2.203 2.119 2.283     .  0 0 "[    .    1    .    2]" 1 
       1488 1  85 LEU H    1  85 LEU HB3  . . 3.870 2.647 2.346 3.529     .  0 0 "[    .    1    .    2]" 1 
       1489 1  85 LEU H    1  85 LEU MD1  . . 4.310 4.129 3.778 4.291     .  0 0 "[    .    1    .    2]" 1 
       1490 1  85 LEU H    1  85 LEU MD2  . . 4.200 3.851 2.278 4.206 0.006 11 0 "[    .    1    .    2]" 1 
       1491 1  85 LEU H    1  85 LEU HG   . . 4.800 4.521 3.956 4.660     .  0 0 "[    .    1    .    2]" 1 
       1492 1  85 LEU H    1  86 LEU H    . . 4.160 2.556 2.154 3.176     .  0 0 "[    .    1    .    2]" 1 
       1493 1  85 LEU HA   1  85 LEU MD1  . . 3.160 3.014 2.045 3.171 0.011  7 0 "[    .    1    .    2]" 1 
       1494 1  85 LEU HA   1  85 LEU MD2  . . 3.030 1.992 1.894 2.491     .  0 0 "[    .    1    .    2]" 1 
       1495 1  85 LEU HA   1  85 LEU HG   . . 3.810 3.652 3.584 3.819 0.009 15 0 "[    .    1    .    2]" 1 
       1496 1  85 LEU QB   1  85 LEU MD1  . . 2.760 2.184 2.053 2.278     .  0 0 "[    .    1    .    2]" 1 
       1497 1  85 LEU QB   1  85 LEU MD2  . . 2.850 2.398 2.300 2.448     .  0 0 "[    .    1    .    2]" 1 
       1498 1  85 LEU QB   1  89 PHE QD   . . 5.250 4.808 3.886 5.179     .  0 0 "[    .    1    .    2]" 1 
       1499 1  85 LEU HB2  1  85 LEU MD1  . . 3.350 3.185 3.154 3.212     .  0 0 "[    .    1    .    2]" 1 
       1500 1  85 LEU HB2  1  85 LEU MD2  . . 3.260 2.476 2.357 2.540     .  0 0 "[    .    1    .    2]" 1 
       1501 1  85 LEU HB3  1  85 LEU MD1  . . 3.350 2.225 2.080 2.330     .  0 0 "[    .    1    .    2]" 1 
       1502 1  85 LEU HB3  1  85 LEU MD2  . . 3.260 3.211 3.198 3.222     .  0 0 "[    .    1    .    2]" 1 
       1503 1  85 LEU MD1  1  86 LEU H    . . 4.820 3.685 2.222 4.822 0.002 19 0 "[    .    1    .    2]" 1 
       1504 1  85 LEU MD1  1  88 ALA MB   . . 3.730 3.427 2.428 3.765 0.035 15 0 "[    .    1    .    2]" 1 
       1505 1  85 LEU MD1  1  89 PHE QB   . . 3.950 2.497 1.801 3.172     .  0 0 "[    .    1    .    2]" 1 
       1506 1  85 LEU MD1  1  89 PHE QE   . . 3.550 3.051 2.182 3.554 0.004 15 0 "[    .    1    .    2]" 1 
       1507 1  85 LEU MD1  1  89 PHE HZ   . . 5.190 4.241 3.198 5.087     .  0 0 "[    .    1    .    2]" 1 
       1508 1  85 LEU MD2  1  86 LEU H    . . 4.690 4.497 4.115 4.697 0.007 10 0 "[    .    1    .    2]" 1 
       1509 1  85 LEU MD2  1  88 ALA MB   . . 3.450 2.510 1.921 3.425     .  0 0 "[    .    1    .    2]" 1 
       1510 1  85 LEU MD2  1  89 PHE H    . . 4.900 4.274 3.501 4.897     .  0 0 "[    .    1    .    2]" 1 
       1511 1  85 LEU MD2  1  89 PHE QB   . . 4.580 3.903 2.546 4.550     .  0 0 "[    .    1    .    2]" 1 
       1512 1  85 LEU MD2  1  89 PHE QD   . . 4.220 2.969 2.083 4.221 0.001 19 0 "[    .    1    .    2]" 1 
       1513 1  85 LEU HG   1  89 PHE QD   . . 5.500 4.723 4.139 5.219     .  0 0 "[    .    1    .    2]" 1 
       1514 1  86 LEU H    1  86 LEU QB   . . 3.480 2.213 2.001 2.738     .  0 0 "[    .    1    .    2]" 1 
       1515 1  86 LEU H    1  86 LEU MD1  . . 5.250 3.594 1.880 4.363     .  0 0 "[    .    1    .    2]" 1 
       1516 1  86 LEU H    1  86 LEU QD   . . 4.310 3.132 1.873 3.710     .  0 0 "[    .    1    .    2]" 1 
       1517 1  86 LEU H    1  86 LEU MD2  . . 5.250 3.779 1.964 4.227     .  0 0 "[    .    1    .    2]" 1 
       1518 1  86 LEU H    1  86 LEU HG   . . 4.550 3.920 1.977 4.605 0.055  3 0 "[    .    1    .    2]" 1 
       1519 1  86 LEU HA   1  86 LEU MD1  . . 3.980 3.431 2.254 3.982 0.002 12 0 "[    .    1    .    2]" 1 
       1520 1  86 LEU HA   1  86 LEU QD   . . 3.490 2.540 1.978 3.411     .  0 0 "[    .    1    .    2]" 1 
       1521 1  86 LEU HA   1  86 LEU MD2  . . 3.980 2.845 1.989 3.987 0.007  2 0 "[    .    1    .    2]" 1 
       1522 1  86 LEU QB   1  86 LEU MD1  . . 3.190 2.175 1.984 2.443     .  0 0 "[    .    1    .    2]" 1 
       1523 1  86 LEU QB   1  86 LEU QD   . . 2.780 1.948 1.798 2.045     .  0 0 "[    .    1    .    2]" 1 
       1524 1  86 LEU QB   1  86 LEU MD2  . . 3.190 2.246 1.929 2.551     .  0 0 "[    .    1    .    2]" 1 
       1525 1  86 LEU QB   1  87 GLU H    . . 4.410 2.945 2.151 3.771     .  0 0 "[    .    1    .    2]" 1 
       1526 1  86 LEU QB   1  87 GLU QG   . . 4.060 3.784 3.049 4.181 0.121 14 0 "[    .    1    .    2]" 1 
       1527 1  86 LEU QB   1  98 GLY QA   . . 5.340 4.795 3.042 5.354 0.014 15 0 "[    .    1    .    2]" 1 
       1528 1  86 LEU QD   1  87 GLU H    . . 4.630 2.589 1.864 3.348     .  0 0 "[    .    1    .    2]" 1 
       1529 1  86 LEU QD   1  87 GLU HA   . . 4.690 2.682 2.094 4.699 0.009  6 0 "[    .    1    .    2]" 1 
       1530 1  86 LEU QD   1  87 GLU QG   . . 4.300 2.689 1.632 4.304 0.004 10 0 "[    .    1    .    2]" 1 
       1531 1  86 LEU QD   1  98 GLY H    . . 5.440 4.445 3.883 5.442 0.002 12 0 "[    .    1    .    2]" 1 
       1532 1  86 LEU QD   1  98 GLY QA   . . 5.050 2.585 1.957 3.168     .  0 0 "[    .    1    .    2]" 1 
       1533 1  86 LEU HG   1  98 GLY QA   . . 5.340 4.540 3.548 5.295     .  0 0 "[    .    1    .    2]" 1 
       1534 1  87 GLU H    1  87 GLU HB2  . . 3.940 2.883 2.205 3.617     .  0 0 "[    .    1    .    2]" 1 
       1535 1  87 GLU H    1  87 GLU HB3  . . 3.940 3.286 2.535 3.618     .  0 0 "[    .    1    .    2]" 1 
       1536 1  87 GLU H    1  87 GLU QG   . . 3.680 2.061 1.865 2.799     .  0 0 "[    .    1    .    2]" 1 
       1537 1  87 GLU H    1  88 ALA H    . . 4.360 2.617 2.284 2.877     .  0 0 "[    .    1    .    2]" 1 
       1538 1  87 GLU HA   1  87 GLU QG   . . 3.440 2.780 2.270 3.441 0.001 19 0 "[    .    1    .    2]" 1 
       1539 1  87 GLU HA   1  90 LYS H    . . 4.430 3.721 3.038 4.418     .  0 0 "[    .    1    .    2]" 1 
       1540 1  87 GLU QB   1  88 ALA H    . . 4.180 3.090 2.271 3.752     .  0 0 "[    .    1    .    2]" 1 
       1541 1  87 GLU HB2  1  88 ALA H    . . 4.770 3.236 2.293 4.051     .  0 0 "[    .    1    .    2]" 1 
       1542 1  87 GLU HB3  1  88 ALA H    . . 4.770 4.062 3.215 4.431     .  0 0 "[    .    1    .    2]" 1 
       1543 1  87 GLU QG   1  88 ALA H    . . 4.520 3.454 1.944 4.495     .  0 0 "[    .    1    .    2]" 1 
       1544 1  88 ALA H    1  88 ALA MB   . . 3.590 2.156 1.943 2.268     .  0 0 "[    .    1    .    2]" 1 
       1545 1  88 ALA H    1  89 PHE H    . . 4.290 2.389 2.107 2.804     .  0 0 "[    .    1    .    2]" 1 
       1546 1  88 ALA H    1  90 LYS H    . . 4.800 4.024 3.624 4.724     .  0 0 "[    .    1    .    2]" 1 
       1547 1  88 ALA HA   1  90 LYS H    . . 4.340 3.694 3.396 3.950     .  0 0 "[    .    1    .    2]" 1 
       1548 1  88 ALA MB   1  89 PHE H    . . 4.240 2.960 2.525 3.291     .  0 0 "[    .    1    .    2]" 1 
       1549 1  88 ALA MB   1  89 PHE QD   . . 4.620 3.141 2.288 4.370     .  0 0 "[    .    1    .    2]" 1 
       1550 1  89 PHE H    1  89 PHE QB   . . 3.550 2.144 1.972 2.458     .  0 0 "[    .    1    .    2]" 1 
       1551 1  89 PHE H    1  90 LYS H    . . 2.880 2.603 2.055 2.885 0.005 10 0 "[    .    1    .    2]" 1 
       1552 1  89 PHE HA   1  91 VAL H    . . 4.700 3.349 3.044 3.751     .  0 0 "[    .    1    .    2]" 1 
       1553 1  89 PHE HA   1  91 VAL QG   . . 4.300 2.911 2.577 3.330     .  0 0 "[    .    1    .    2]" 1 
       1554 1  89 PHE QB   1  90 LYS H    . . 4.200 3.654 3.364 3.878     .  0 0 "[    .    1    .    2]" 1 
       1555 1  89 PHE QB   1 100 ILE MD   . . 4.630 2.577 1.779 3.839     .  0 0 "[    .    1    .    2]" 1 
       1556 1  89 PHE HB2  1  90 LYS H    . . 4.880 4.109 3.751 4.379     .  0 0 "[    .    1    .    2]" 1 
       1557 1  89 PHE HB3  1  90 LYS H    . . 4.880 4.131 3.584 4.366     .  0 0 "[    .    1    .    2]" 1 
       1558 1  89 PHE QD   1 100 ILE MD   . . 5.180 2.725 1.833 3.944     .  0 0 "[    .    1    .    2]" 1 
       1559 1  89 PHE QE   1 105 LEU QD   . . 3.420 3.194 2.741 3.430 0.010 14 0 "[    .    1    .    2]" 1 
       1560 1  89 PHE HZ   1 105 LEU QD   . . 4.970 4.637 3.831 4.975 0.005 10 0 "[    .    1    .    2]" 1 
       1561 1  90 LYS H    1  90 LYS QB   . . 3.350 2.216 2.060 2.285     .  0 0 "[    .    1    .    2]" 1 
       1562 1  90 LYS H    1  90 LYS QD   . . 4.520 4.254 3.755 4.543 0.023  8 0 "[    .    1    .    2]" 1 
       1563 1  90 LYS H    1  90 LYS HG2  . . 4.680 4.425 3.975 4.668     .  0 0 "[    .    1    .    2]" 1 
       1564 1  90 LYS H    1  90 LYS HG3  . . 4.680 4.459 4.225 4.701 0.021  5 0 "[    .    1    .    2]" 1 
       1565 1  90 LYS H    1  91 VAL H    . . 3.900 2.335 2.212 2.585     .  0 0 "[    .    1    .    2]" 1 
       1566 1  90 LYS H    1  91 VAL MG1  . . 5.500 3.731 3.183 4.658     .  0 0 "[    .    1    .    2]" 1 
       1567 1  90 LYS H    1  91 VAL QG   . . 4.710 3.636 3.072 4.421     .  0 0 "[    .    1    .    2]" 1 
       1568 1  90 LYS H    1  91 VAL MG2  . . 5.500 5.297 4.028 5.528 0.028 10 0 "[    .    1    .    2]" 1 
       1569 1  90 LYS H    1 121 LEU MD1  . . 5.500 5.069 3.511 5.555 0.055  6 0 "[    .    1    .    2]" 1 
       1570 1  90 LYS H    1 121 LEU MD2  . . 5.500 4.122 3.354 5.540 0.040 15 0 "[    .    1    .    2]" 1 
       1571 1  90 LYS HA   1  90 LYS QD   . . 4.130 3.148 1.982 4.056     .  0 0 "[    .    1    .    2]" 1 
       1572 1  90 LYS HA   1  90 LYS HG2  . . 3.900 3.188 2.168 3.844     .  0 0 "[    .    1    .    2]" 1 
       1573 1  90 LYS HA   1  90 LYS QG   . . 3.410 2.527 2.146 3.087     .  0 0 "[    .    1    .    2]" 1 
       1574 1  90 LYS HA   1  90 LYS HG3  . . 3.900 2.943 2.376 3.591     .  0 0 "[    .    1    .    2]" 1 
       1575 1  90 LYS HA   1  92 PHE H    . . 4.300 3.639 3.266 4.302 0.002 18 0 "[    .    1    .    2]" 1 
       1576 1  90 LYS HA   1  93 ASP H    . . 4.340 2.995 2.657 3.424     .  0 0 "[    .    1    .    2]" 1 
       1577 1  90 LYS HA   1  93 ASP HB2  . . 4.800 2.898 2.485 3.360     .  0 0 "[    .    1    .    2]" 1 
       1578 1  90 LYS HA   1  93 ASP QB   . . 3.940 2.680 2.435 2.938     .  0 0 "[    .    1    .    2]" 1 
       1579 1  90 LYS HA   1  93 ASP HB3  . . 4.800 3.240 2.721 3.515     .  0 0 "[    .    1    .    2]" 1 
       1580 1  90 LYS QB   1  90 LYS HE2  . . 4.370 3.713 2.639 4.370     .  0 0 "[    .    1    .    2]" 1 
       1581 1  90 LYS QB   1  90 LYS HE3  . . 4.370 3.781 2.362 4.362     .  0 0 "[    .    1    .    2]" 1 
       1582 1  90 LYS QB   1  91 VAL H    . . 3.690 3.164 2.928 3.468     .  0 0 "[    .    1    .    2]" 1 
       1583 1  90 LYS QB   1  93 ASP QB   . . 5.340 3.860 3.375 4.284     .  0 0 "[    .    1    .    2]" 1 
       1584 1  90 LYS QD   1  91 VAL H    . . 5.500 4.753 3.601 5.496     .  0 0 "[    .    1    .    2]" 1 
       1585 1  90 LYS QE   1  90 LYS QG   . . 3.000 2.239 2.009 2.597     .  0 0 "[    .    1    .    2]" 1 
       1586 1  90 LYS HE2  1  90 LYS HG2  . . 4.000 3.092 2.047 3.793     .  0 0 "[    .    1    .    2]" 1 
       1587 1  90 LYS HE2  1  90 LYS HG3  . . 4.000 3.096 2.105 4.064 0.064 11 0 "[    .    1    .    2]" 1 
       1588 1  90 LYS HE3  1  90 LYS HG2  . . 4.000 3.224 2.123 4.001 0.001 19 0 "[    .    1    .    2]" 1 
       1589 1  90 LYS HE3  1  90 LYS HG3  . . 4.000 3.380 2.510 4.004 0.004  4 0 "[    .    1    .    2]" 1 
       1590 1  90 LYS QG   1  91 VAL H    . . 4.620 4.163 3.650 4.628 0.008 18 0 "[    .    1    .    2]" 1 
       1591 1  90 LYS QG   1  93 ASP QB   . . 4.090 2.358 1.871 3.260     .  0 0 "[    .    1    .    2]" 1 
       1592 1  90 LYS HG2  1  93 ASP HB2  . . 5.230 4.370 3.031 5.254 0.024  6 0 "[    .    1    .    2]" 1 
       1593 1  90 LYS HG2  1  93 ASP HB3  . . 5.230 3.295 2.000 4.435     .  0 0 "[    .    1    .    2]" 1 
       1594 1  90 LYS HG3  1  93 ASP HB2  . . 5.230 3.948 2.855 5.248 0.018  5 0 "[    .    1    .    2]" 1 
       1595 1  90 LYS HG3  1  93 ASP HB3  . . 5.230 2.942 1.998 4.174     .  0 0 "[    .    1    .    2]" 1 
       1596 1  91 VAL H    1  91 VAL HB   . . 3.450 2.529 2.067 3.491 0.041  1 0 "[    .    1    .    2]" 1 
       1597 1  91 VAL H    1  91 VAL MG1  . . 3.750 2.180 1.855 2.785     .  0 0 "[    .    1    .    2]" 1 
       1598 1  91 VAL H    1  91 VAL QG   . . 3.270 2.146 1.806 2.685     .  0 0 "[    .    1    .    2]" 1 
       1599 1  91 VAL H    1  91 VAL MG2  . . 3.750 3.473 2.448 3.713     .  0 0 "[    .    1    .    2]" 1 
       1600 1  91 VAL H    1  92 PHE H    . . 3.580 2.821 2.576 3.030     .  0 0 "[    .    1    .    2]" 1 
       1601 1  91 VAL HA   1  91 VAL MG1  . . 3.560 3.079 2.438 3.220     .  0 0 "[    .    1    .    2]" 1 
       1602 1  91 VAL HA   1  91 VAL QG   . . 3.060 2.307 2.020 2.461     .  0 0 "[    .    1    .    2]" 1 
       1603 1  91 VAL HA   1  91 VAL MG2  . . 3.560 2.484 2.044 3.198     .  0 0 "[    .    1    .    2]" 1 
       1604 1  91 VAL HB   1  92 PHE H    . . 4.280 4.004 3.762 4.283 0.003  3 0 "[    .    1    .    2]" 1 
       1605 1  91 VAL QG   1  92 PHE H    . . 3.660 2.076 1.829 2.434     .  0 0 "[    .    1    .    2]" 1 
       1606 1  91 VAL QG   1  92 PHE HA   . . 4.700 3.138 2.867 3.298     .  0 0 "[    .    1    .    2]" 1 
       1607 1  91 VAL QG   1  92 PHE QE   . . 4.900 2.493 1.889 3.007     .  0 0 "[    .    1    .    2]" 1 
       1608 1  91 VAL MG1  1  92 PHE H    . . 4.230 2.354 1.842 3.788     .  0 0 "[    .    1    .    2]" 1 
       1609 1  91 VAL MG2  1  92 PHE H    . . 4.230 3.533 1.834 4.218     .  0 0 "[    .    1    .    2]" 1 
       1610 1  92 PHE H    1  92 PHE HB2  . . 4.160 2.301 2.020 2.540     .  0 0 "[    .    1    .    2]" 1 
       1611 1  92 PHE H    1  92 PHE QB   . . 3.380 2.267 2.004 2.483     .  0 0 "[    .    1    .    2]" 1 
       1612 1  92 PHE H    1  92 PHE HB3  . . 4.160 3.454 3.359 3.511     .  0 0 "[    .    1    .    2]" 1 
       1613 1  92 PHE H    1  92 PHE QD   . . 3.250 2.415 1.944 2.739     .  0 0 "[    .    1    .    2]" 1 
       1614 1  92 PHE H    1 100 ILE MD   . . 4.550 4.334 3.726 4.555 0.005 19 0 "[    .    1    .    2]" 1 
       1615 1  92 PHE H    1 100 ILE MG   . . 4.310 3.590 3.256 4.101     .  0 0 "[    .    1    .    2]" 1 
       1616 1  92 PHE HA   1  92 PHE QD   . . 4.210 2.393 1.995 3.136     .  0 0 "[    .    1    .    2]" 1 
       1617 1  92 PHE HA   1 108 VAL QG   . . 4.100 2.137 1.777 3.026     .  0 0 "[    .    1    .    2]" 1 
       1618 1  92 PHE QB   1 100 ILE MD   . . 4.160 2.945 2.046 3.623     .  0 0 "[    .    1    .    2]" 1 
       1619 1  92 PHE QB   1 100 ILE MG   . . 3.760 1.896 1.650 2.337     .  0 0 "[    .    1    .    2]" 1 
       1620 1  92 PHE QB   1 105 LEU HA   . . 4.720 3.340 2.524 4.629     .  0 0 "[    .    1    .    2]" 1 
       1621 1  92 PHE HB2  1  93 ASP H    . . 5.130 2.647 2.126 3.146     .  0 0 "[    .    1    .    2]" 1 
       1622 1  92 PHE HB2  1 100 ILE MG   . . 4.300 2.029 1.769 2.711     .  0 0 "[    .    1    .    2]" 1 
       1623 1  92 PHE HB3  1  93 ASP H    . . 5.130 3.602 2.828 4.133     .  0 0 "[    .    1    .    2]" 1 
       1624 1  92 PHE HB3  1 100 ILE MG   . . 4.300 2.440 1.938 3.546     .  0 0 "[    .    1    .    2]" 1 
       1625 1  92 PHE QD   1  93 ASP H    . . 4.450 4.178 3.742 4.407     .  0 0 "[    .    1    .    2]" 1 
       1626 1  92 PHE QD   1 105 LEU HA   . . 4.060 2.989 1.997 3.731     .  0 0 "[    .    1    .    2]" 1 
       1627 1  92 PHE QD   1 108 VAL HB   . . 4.580 3.365 1.999 4.338     .  0 0 "[    .    1    .    2]" 1 
       1628 1  92 PHE QD   1 108 VAL MG1  . . 4.240 3.102 1.774 4.153     .  0 0 "[    .    1    .    2]" 1 
       1629 1  92 PHE QD   1 108 VAL QG   . . 3.690 2.067 1.713 2.557     .  0 0 "[    .    1    .    2]" 1 
       1630 1  92 PHE QD   1 108 VAL MG2  . . 4.240 2.334 1.781 3.983     .  0 0 "[    .    1    .    2]" 1 
       1631 1  92 PHE QE   1 105 LEU HA   . . 4.900 4.184 3.066 4.903 0.003 19 0 "[    .    1    .    2]" 1 
       1632 1  92 PHE QE   1 105 LEU QD   . . 4.310 2.813 1.880 3.860     .  0 0 "[    .    1    .    2]" 1 
       1633 1  92 PHE QE   1 108 VAL MG1  . . 4.940 3.166 1.987 4.529     .  0 0 "[    .    1    .    2]" 1 
       1634 1  92 PHE QE   1 108 VAL QG   . . 4.200 2.487 1.865 3.113     .  0 0 "[    .    1    .    2]" 1 
       1635 1  92 PHE QE   1 108 VAL MG2  . . 4.940 2.758 1.904 3.960     .  0 0 "[    .    1    .    2]" 1 
       1636 1  93 ASP H    1  93 ASP HB2  . . 4.000 2.250 2.005 2.719     .  0 0 "[    .    1    .    2]" 1 
       1637 1  93 ASP H    1  93 ASP QB   . . 3.420 2.130 1.975 2.252     .  0 0 "[    .    1    .    2]" 1 
       1638 1  93 ASP H    1  93 ASP HB3  . . 4.000 2.767 2.339 2.963     .  0 0 "[    .    1    .    2]" 1 
       1639 1  93 ASP H    1  94 LYS H    . . 4.800 4.295 3.919 4.511     .  0 0 "[    .    1    .    2]" 1 
       1640 1  93 ASP HA   1  94 LYS H    . . 3.180 2.396 2.311 2.570     .  0 0 "[    .    1    .    2]" 1 
       1641 1  93 ASP QB   1  94 LYS H    . . 4.330 4.049 3.934 4.142     .  0 0 "[    .    1    .    2]" 1 
       1642 1  93 ASP QB   1 100 ILE MG   . . 3.840 2.066 1.763 2.874     .  0 0 "[    .    1    .    2]" 1 
       1643 1  93 ASP HB2  1  94 LYS H    . . 4.950 4.755 4.685 4.789     .  0 0 "[    .    1    .    2]" 1 
       1644 1  93 ASP HB2  1 100 ILE MG   . . 4.480 2.082 1.773 2.922     .  0 0 "[    .    1    .    2]" 1 
       1645 1  93 ASP HB3  1  94 LYS H    . . 4.950 4.388 4.212 4.587     .  0 0 "[    .    1    .    2]" 1 
       1646 1  93 ASP HB3  1 100 ILE MG   . . 4.480 3.491 3.076 4.252     .  0 0 "[    .    1    .    2]" 1 
       1647 1  94 LYS H    1  94 LYS HB2  . . 3.600 2.221 2.175 2.362     .  0 0 "[    .    1    .    2]" 1 
       1648 1  94 LYS H    1  94 LYS QB   . . 3.110 2.197 2.153 2.331     .  0 0 "[    .    1    .    2]" 1 
       1649 1  94 LYS H    1  94 LYS HB3  . . 3.600 3.485 3.430 3.580     .  0 0 "[    .    1    .    2]" 1 
       1650 1  94 LYS H    1  94 LYS HG2  . . 4.030 3.091 2.774 3.375     .  0 0 "[    .    1    .    2]" 1 
       1651 1  94 LYS H    1  94 LYS QG   . . 3.350 2.943 2.667 3.179     .  0 0 "[    .    1    .    2]" 1 
       1652 1  94 LYS H    1  94 LYS HG3  . . 4.030 3.703 3.405 3.936     .  0 0 "[    .    1    .    2]" 1 
       1653 1  94 LYS H    1  95 ASN H    . . 3.880 2.294 2.173 2.647     .  0 0 "[    .    1    .    2]" 1 
       1654 1  94 LYS H    1  95 ASN QB   . . 4.800 4.396 3.977 4.788     .  0 0 "[    .    1    .    2]" 1 
       1655 1  94 LYS H    1 100 ILE MG   . . 4.970 4.569 3.976 4.963     .  0 0 "[    .    1    .    2]" 1 
       1656 1  94 LYS H    1 104 GLU HG2  . . 4.910 4.334 3.121 4.909     .  0 0 "[    .    1    .    2]" 1 
       1657 1  94 LYS H    1 104 GLU QG   . . 4.230 3.976 3.086 4.235 0.005 14 0 "[    .    1    .    2]" 1 
       1658 1  94 LYS H    1 104 GLU HG3  . . 4.910 4.744 4.116 4.917 0.007  9 0 "[    .    1    .    2]" 1 
       1659 1  94 LYS HA   1  94 LYS QD   . . 3.230 2.799 2.341 3.237 0.007 15 0 "[    .    1    .    2]" 1 
       1660 1  94 LYS HA   1  94 LYS HE2  . . 4.810 3.507 2.033 4.817 0.007  6 0 "[    .    1    .    2]" 1 
       1661 1  94 LYS HA   1  94 LYS QE   . . 4.000 2.996 1.899 3.995     .  0 0 "[    .    1    .    2]" 1 
       1662 1  94 LYS HA   1  94 LYS HE3  . . 4.810 3.325 2.086 4.916 0.106 18 0 "[    .    1    .    2]" 1 
       1663 1  94 LYS HA   1  94 LYS HG2  . . 3.620 2.351 2.234 2.439     .  0 0 "[    .    1    .    2]" 1 
       1664 1  94 LYS HA   1  94 LYS QG   . . 3.170 2.320 2.211 2.404     .  0 0 "[    .    1    .    2]" 1 
       1665 1  94 LYS HA   1  94 LYS HG3  . . 3.620 3.570 3.512 3.648 0.028 18 0 "[    .    1    .    2]" 1 
       1666 1  94 LYS HA   1  96 GLY H    . . 4.220 3.379 3.182 4.125     .  0 0 "[    .    1    .    2]" 1 
       1667 1  94 LYS QB   1  94 LYS QE   . . 3.390 2.436 1.965 2.930     .  0 0 "[    .    1    .    2]" 1 
       1668 1  94 LYS QB   1  96 GLY H    . . 4.690 4.466 4.391 4.692 0.002 15 0 "[    .    1    .    2]" 1 
       1669 1  94 LYS HB2  1  94 LYS HE2  . . 4.410 3.877 3.222 4.363     .  0 0 "[    .    1    .    2]" 1 
       1670 1  94 LYS HB2  1  94 LYS HE3  . . 4.410 3.996 3.292 4.577 0.167 18 0 "[    .    1    .    2]" 1 
       1671 1  94 LYS HB2  1  95 ASN H    . . 4.040 3.366 2.874 3.502     .  0 0 "[    .    1    .    2]" 1 
       1672 1  94 LYS HB2  1  96 GLY H    . . 5.330 5.054 4.827 5.206     .  0 0 "[    .    1    .    2]" 1 
       1673 1  94 LYS HB3  1  94 LYS HE2  . . 4.410 2.945 1.995 3.306     .  0 0 "[    .    1    .    2]" 1 
       1674 1  94 LYS HB3  1  94 LYS HE3  . . 4.410 2.986 2.040 3.889     .  0 0 "[    .    1    .    2]" 1 
       1675 1  94 LYS HB3  1  95 ASN H    . . 4.040 3.950 3.549 4.048 0.008 15 0 "[    .    1    .    2]" 1 
       1676 1  94 LYS HB3  1  96 GLY H    . . 5.330 4.982 4.855 5.333 0.003 10 0 "[    .    1    .    2]" 1 
       1677 1  94 LYS QD   1  94 LYS HG2  . . 2.730 2.327 2.191 2.509     .  0 0 "[    .    1    .    2]" 1 
       1678 1  94 LYS QD   1  94 LYS QG   . . 2.250 2.051 2.015 2.060     .  0 0 "[    .    1    .    2]" 1 
       1679 1  94 LYS QD   1  94 LYS HG3  . . 2.730 2.326 2.189 2.496     .  0 0 "[    .    1    .    2]" 1 
       1680 1  94 LYS QE   1  94 LYS QG   . . 3.000 2.218 2.073 3.002 0.002 18 0 "[    .    1    .    2]" 1 
       1681 1  94 LYS QG   1  95 ASN H    . . 4.680 4.510 4.222 4.570     .  0 0 "[    .    1    .    2]" 1 
       1682 1  94 LYS HG2  1  95 ASN H    . . 5.490 4.832 4.595 4.912     .  0 0 "[    .    1    .    2]" 1 
       1683 1  94 LYS HG3  1  95 ASN H    . . 5.490 5.406 4.922 5.496 0.006 11 0 "[    .    1    .    2]" 1 
       1684 1  95 ASN H    1  95 ASN QB   . . 3.500 2.589 2.174 2.806     .  0 0 "[    .    1    .    2]" 1 
       1685 1  95 ASN H    1  96 GLY H    . . 3.140 2.542 2.151 2.696     .  0 0 "[    .    1    .    2]" 1 
       1686 1  95 ASN H    1  96 GLY QA   . . 4.940 4.302 4.065 4.456     .  0 0 "[    .    1    .    2]" 1 
       1687 1  95 ASN H    1  97 ASP H    . . 4.950 4.291 3.937 4.890     .  0 0 "[    .    1    .    2]" 1 
       1688 1  95 ASN QB   1  96 GLY H    . . 4.210 3.837 3.415 4.049     .  0 0 "[    .    1    .    2]" 1 
       1689 1  95 ASN HB2  1  96 GLY H    . . 4.780 4.349 3.998 4.505     .  0 0 "[    .    1    .    2]" 1 
       1690 1  95 ASN HB3  1  96 GLY H    . . 4.780 4.324 3.546 4.641     .  0 0 "[    .    1    .    2]" 1 
       1691 1  95 ASN QD   1  97 ASP QB   . . 4.490 2.918 1.698 4.281     .  0 0 "[    .    1    .    2]" 1 
       1692 1  96 GLY H    1  96 GLY HA2  . . 2.940 2.262 2.247 2.277     .  0 0 "[    .    1    .    2]" 1 
       1693 1  96 GLY H    1  96 GLY QA   . . 2.530 2.158 2.151 2.190     .  0 0 "[    .    1    .    2]" 1 
       1694 1  96 GLY H    1  96 GLY HA3  . . 2.940 2.734 2.658 2.877     .  0 0 "[    .    1    .    2]" 1 
       1695 1  96 GLY H    1  97 ASP H    . . 3.190 3.090 2.671 3.214 0.024  8 0 "[    .    1    .    2]" 1 
       1696 1  96 GLY H    1  97 ASP HA   . . 5.500 5.294 5.003 5.434     .  0 0 "[    .    1    .    2]" 1 
       1697 1  96 GLY H    1  98 GLY H    . . 4.660 4.553 4.165 4.688 0.028 10 0 "[    .    1    .    2]" 1 
       1698 1  96 GLY QA   1  97 ASP H    . . 3.040 2.552 2.409 2.659     .  0 0 "[    .    1    .    2]" 1 
       1699 1  96 GLY QA   1  98 GLY H    . . 3.960 3.222 2.979 3.342     .  0 0 "[    .    1    .    2]" 1 
       1700 1  96 GLY HA2  1  98 GLY H    . . 4.760 3.288 3.036 3.411     .  0 0 "[    .    1    .    2]" 1 
       1701 1  96 GLY HA3  1  98 GLY H    . . 4.760 4.629 4.321 4.788 0.028  6 0 "[    .    1    .    2]" 1 
       1702 1  97 ASP H    1  97 ASP HB2  . . 3.590 3.163 2.269 3.665 0.075 18 0 "[    .    1    .    2]" 1 
       1703 1  97 ASP H    1  97 ASP HB3  . . 3.590 2.505 2.205 3.591 0.001 13 0 "[    .    1    .    2]" 1 
       1704 1  97 ASP H    1  98 GLY H    . . 3.080 1.932 1.832 2.082     .  0 0 "[    .    1    .    2]" 1 
       1705 1  97 ASP H    1  98 GLY HA2  . . 4.710 4.195 4.056 4.328     .  0 0 "[    .    1    .    2]" 1 
       1706 1  97 ASP H    1  98 GLY QA   . . 3.970 3.900 3.793 4.000 0.030 10 0 "[    .    1    .    2]" 1 
       1707 1  97 ASP H    1  98 GLY HA3  . . 4.710 4.634 4.551 4.718 0.008 18 0 "[    .    1    .    2]" 1 
       1708 1  97 ASP QB   1  99 LEU H    . . 4.910 2.996 2.371 3.976     .  0 0 "[    .    1    .    2]" 1 
       1709 1  97 ASP HB2  1  98 GLY H    . . 5.500 4.197 3.065 4.565     .  0 0 "[    .    1    .    2]" 1 
       1710 1  97 ASP HB3  1  98 GLY H    . . 5.500 3.449 3.146 3.953     .  0 0 "[    .    1    .    2]" 1 
       1711 1  98 GLY H    1  99 LEU H    . . 3.090 2.617 2.089 3.003     .  0 0 "[    .    1    .    2]" 1 
       1712 1  98 GLY H    1  99 LEU HB2  . . 5.500 5.199 4.839 5.524 0.024  6 0 "[    .    1    .    2]" 1 
       1713 1  98 GLY H    1  99 LEU HB3  . . 5.500 5.418 5.077 5.549 0.049  4 0 "[    .    1    .    2]" 1 
       1714 1  98 GLY H    1 121 LEU MD1  . . 5.500 4.446 2.466 5.438     .  0 0 "[    .    1    .    2]" 1 
       1715 1  98 GLY H    1 121 LEU MD2  . . 5.500 5.250 3.780 5.537 0.037  6 0 "[    .    1    .    2]" 1 
       1716 1  98 GLY QA   1  99 LEU QB   . . 5.100 3.916 3.708 4.151     .  0 0 "[    .    1    .    2]" 1 
       1717 1  98 GLY QA   1 121 LEU QB   . . 5.180 4.577 3.602 5.188 0.008 12 0 "[    .    1    .    2]" 1 
       1718 1  98 GLY QA   1 121 LEU QD   . . 3.940 2.857 1.805 3.880     .  0 0 "[    .    1    .    2]" 1 
       1719 1  99 LEU H    1  99 LEU HB2  . . 3.300 2.930 2.298 3.293     .  0 0 "[    .    1    .    2]" 1 
       1720 1  99 LEU H    1  99 LEU HB3  . . 3.300 2.955 2.643 3.243     .  0 0 "[    .    1    .    2]" 1 
       1721 1  99 LEU H    1  99 LEU MD1  . . 4.950 4.283 3.723 4.844     .  0 0 "[    .    1    .    2]" 1 
       1722 1  99 LEU H    1  99 LEU QD   . . 4.100 3.879 3.512 4.096     .  0 0 "[    .    1    .    2]" 1 
       1723 1  99 LEU H    1  99 LEU MD2  . . 4.950 4.504 4.000 4.857     .  0 0 "[    .    1    .    2]" 1 
       1724 1  99 LEU H    1  99 LEU HG   . . 5.200 4.621 4.478 4.745     .  0 0 "[    .    1    .    2]" 1 
       1725 1  99 LEU H    1 100 ILE H    . . 4.720 4.382 4.153 4.610     .  0 0 "[    .    1    .    2]" 1 
       1726 1  99 LEU HA   1  99 LEU MD1  . . 3.890 2.558 1.942 3.598     .  0 0 "[    .    1    .    2]" 1 
       1727 1  99 LEU HA   1  99 LEU QD   . . 3.180 2.417 1.937 3.011     .  0 0 "[    .    1    .    2]" 1 
       1728 1  99 LEU HA   1  99 LEU MD2  . . 3.890 3.685 3.024 3.886     .  0 0 "[    .    1    .    2]" 1 
       1729 1  99 LEU HA   1  99 LEU HG   . . 4.140 2.576 2.250 2.943     .  0 0 "[    .    1    .    2]" 1 
       1730 1  99 LEU HA   1 100 ILE H    . . 3.250 2.293 2.225 2.496     .  0 0 "[    .    1    .    2]" 1 
       1731 1  99 LEU HA   1 100 ILE MG   . . 4.270 4.051 3.801 4.274 0.004 16 0 "[    .    1    .    2]" 1 
       1732 1  99 LEU QB   1  99 LEU QD   . . 2.610 1.864 1.757 1.957     .  0 0 "[    .    1    .    2]" 1 
       1733 1  99 LEU QB   1 100 ILE H    . . 3.680 3.537 3.247 3.703 0.023  6 0 "[    .    1    .    2]" 1 
       1734 1  99 LEU HB2  1  99 LEU MD1  . . 3.350 2.205 2.021 2.406     .  0 0 "[    .    1    .    2]" 1 
       1735 1  99 LEU HB2  1  99 LEU MD2  . . 3.350 2.688 2.285 3.178     .  0 0 "[    .    1    .    2]" 1 
       1736 1  99 LEU HB2  1 100 ILE H    . . 4.330 4.265 3.962 4.364 0.034  4 0 "[    .    1    .    2]" 1 
       1737 1  99 LEU HB3  1  99 LEU MD1  . . 3.350 3.067 2.624 3.221     .  0 0 "[    .    1    .    2]" 1 
       1738 1  99 LEU HB3  1  99 LEU MD2  . . 3.350 2.161 1.972 2.381     .  0 0 "[    .    1    .    2]" 1 
       1739 1  99 LEU HB3  1 100 ILE H    . . 4.330 3.784 3.449 4.046     .  0 0 "[    .    1    .    2]" 1 
       1740 1  99 LEU QD   1 100 ILE H    . . 3.870 2.900 1.910 3.319     .  0 0 "[    .    1    .    2]" 1 
       1741 1  99 LEU MD1  1 100 ILE H    . . 4.890 3.430 2.576 4.399     .  0 0 "[    .    1    .    2]" 1 
       1742 1  99 LEU MD2  1 100 ILE H    . . 4.890 3.643 1.913 4.300     .  0 0 "[    .    1    .    2]" 1 
       1743 1  99 LEU HG   1 100 ILE H    . . 4.250 2.507 1.962 2.947     .  0 0 "[    .    1    .    2]" 1 
       1744 1 100 ILE H    1 100 ILE HB   . . 3.840 3.666 3.533 3.794     .  0 0 "[    .    1    .    2]" 1 
       1745 1 100 ILE H    1 100 ILE MD   . . 3.910 3.030 1.868 3.914 0.004  2 0 "[    .    1    .    2]" 1 
       1746 1 100 ILE H    1 100 ILE HG12 . . 3.980 2.436 1.953 3.660     .  0 0 "[    .    1    .    2]" 1 
       1747 1 100 ILE H    1 100 ILE HG13 . . 3.980 2.912 1.952 3.864     .  0 0 "[    .    1    .    2]" 1 
       1748 1 100 ILE H    1 100 ILE MG   . . 3.850 3.338 2.999 3.529     .  0 0 "[    .    1    .    2]" 1 
       1749 1 100 ILE H    1 101 SER H    . . 5.120 4.383 4.206 4.541     .  0 0 "[    .    1    .    2]" 1 
       1750 1 100 ILE HA   1 101 SER H    . . 3.420 2.259 2.177 2.332     .  0 0 "[    .    1    .    2]" 1 
       1751 1 100 ILE HB   1 101 SER H    . . 5.170 3.121 2.816 3.559     .  0 0 "[    .    1    .    2]" 1 
       1752 1 100 ILE MD   1 101 SER H    . . 5.030 4.814 3.739 5.044 0.014 19 0 "[    .    1    .    2]" 1 
       1753 1 100 ILE QG   1 100 ILE MG   . . 3.190 2.331 2.040 2.501     .  0 0 "[    .    1    .    2]" 1 
       1754 1 100 ILE QG   1 101 SER H    . . 4.500 4.356 4.073 4.499     .  0 0 "[    .    1    .    2]" 1 
       1755 1 100 ILE MG   1 101 SER H    . . 3.980 3.606 3.381 3.821     .  0 0 "[    .    1    .    2]" 1 
       1756 1 100 ILE MG   1 104 GLU QG   . . 4.400 2.706 2.008 4.383     .  0 0 "[    .    1    .    2]" 1 
       1757 1 100 ILE MG   1 105 LEU H    . . 5.060 4.765 4.244 5.062 0.002  5 0 "[    .    1    .    2]" 1 
       1758 1 100 ILE MG   1 105 LEU QB   . . 5.020 4.600 3.942 5.011     .  0 0 "[    .    1    .    2]" 1 
       1759 1 101 SER H    1 104 GLU H    . . 4.360 3.289 2.892 3.696     .  0 0 "[    .    1    .    2]" 1 
       1760 1 101 SER H    1 104 GLU HB2  . . 4.480 2.294 1.948 3.420     .  0 0 "[    .    1    .    2]" 1 
       1761 1 101 SER H    1 104 GLU QB   . . 3.630 1.969 1.747 2.366     .  0 0 "[    .    1    .    2]" 1 
       1762 1 101 SER H    1 104 GLU HB3  . . 4.480 2.334 1.950 3.645     .  0 0 "[    .    1    .    2]" 1 
       1763 1 101 SER H    1 104 GLU HG2  . . 5.260 4.125 3.590 4.812     .  0 0 "[    .    1    .    2]" 1 
       1764 1 101 SER H    1 104 GLU QG   . . 4.630 3.775 3.387 4.427     .  0 0 "[    .    1    .    2]" 1 
       1765 1 101 SER H    1 104 GLU HG3  . . 5.260 4.463 3.621 5.169     .  0 0 "[    .    1    .    2]" 1 
       1766 1 101 SER H    1 105 LEU H    . . 5.330 3.851 3.075 4.279     .  0 0 "[    .    1    .    2]" 1 
       1767 1 101 SER QB   1 102 ALA H    . . 3.940 2.093 1.907 2.973     .  0 0 "[    .    1    .    2]" 1 
       1768 1 101 SER QB   1 103 ALA H    . . 3.830 2.969 2.251 3.823     .  0 0 "[    .    1    .    2]" 1 
       1769 1 101 SER QB   1 104 GLU H    . . 4.410 3.000 2.403 4.043     .  0 0 "[    .    1    .    2]" 1 
       1770 1 101 SER HB2  1 102 ALA H    . . 4.490 2.871 1.950 3.607     .  0 0 "[    .    1    .    2]" 1 
       1771 1 101 SER HB3  1 102 ALA H    . . 4.490 2.498 1.947 3.673     .  0 0 "[    .    1    .    2]" 1 
       1772 1 102 ALA H    1 103 ALA H    . . 3.740 2.681 2.369 2.956     .  0 0 "[    .    1    .    2]" 1 
       1773 1 102 ALA H    1 103 ALA MB   . . 4.750 4.182 4.029 4.382     .  0 0 "[    .    1    .    2]" 1 
       1774 1 102 ALA H    1 104 GLU H    . . 4.820 3.988 3.455 4.698     .  0 0 "[    .    1    .    2]" 1 
       1775 1 102 ALA HA   1 104 GLU H    . . 5.250 4.293 3.754 5.109     .  0 0 "[    .    1    .    2]" 1 
       1776 1 102 ALA HA   1 105 LEU H    . . 5.060 3.376 2.980 3.957     .  0 0 "[    .    1    .    2]" 1 
       1777 1 102 ALA HA   1 105 LEU HB2  . . 5.420 3.424 2.686 5.348     .  0 0 "[    .    1    .    2]" 1 
       1778 1 102 ALA HA   1 105 LEU QB   . . 4.570 2.899 2.165 4.572 0.002  7 0 "[    .    1    .    2]" 1 
       1779 1 102 ALA HA   1 105 LEU HB3  . . 5.420 3.181 2.188 4.978     .  0 0 "[    .    1    .    2]" 1 
       1780 1 102 ALA HA   1 105 LEU MD1  . . 4.800 3.504 2.797 3.861     .  0 0 "[    .    1    .    2]" 1 
       1781 1 102 ALA HA   1 105 LEU QD   . . 3.880 3.287 2.264 3.672     .  0 0 "[    .    1    .    2]" 1 
       1782 1 102 ALA HA   1 105 LEU MD2  . . 4.800 4.192 2.339 4.811 0.011  2 0 "[    .    1    .    2]" 1 
       1783 1 102 ALA HA   1 105 LEU HG   . . 5.500 4.903 2.469 5.528 0.028 16 0 "[    .    1    .    2]" 1 
       1784 1 102 ALA HA   1 106 LYS H    . . 5.140 4.225 3.916 4.789     .  0 0 "[    .    1    .    2]" 1 
       1785 1 102 ALA MB   1 103 ALA H    . . 3.720 2.497 2.044 3.146     .  0 0 "[    .    1    .    2]" 1 
       1786 1 102 ALA MB   1 103 ALA HA   . . 4.720 3.754 3.598 3.948     .  0 0 "[    .    1    .    2]" 1 
       1787 1 102 ALA MB   1 103 ALA MB   . . 4.240 3.626 3.436 3.903     .  0 0 "[    .    1    .    2]" 1 
       1788 1 102 ALA MB   1 104 GLU H    . . 5.150 4.427 3.989 5.148     .  0 0 "[    .    1    .    2]" 1 
       1789 1 103 ALA H    1 103 ALA MB   . . 2.990 2.069 1.951 2.206     .  0 0 "[    .    1    .    2]" 1 
       1790 1 103 ALA H    1 104 GLU H    . . 3.540 2.715 2.281 3.047     .  0 0 "[    .    1    .    2]" 1 
       1791 1 103 ALA H    1 104 GLU QB   . . 4.990 4.399 3.938 4.640     .  0 0 "[    .    1    .    2]" 1 
       1792 1 103 ALA HA   1 106 LYS H    . . 3.690 3.431 2.888 3.690     .  0 0 "[    .    1    .    2]" 1 
       1793 1 103 ALA HA   1 106 LYS HB2  . . 3.930 3.470 2.639 3.988 0.058 16 0 "[    .    1    .    2]" 1 
       1794 1 103 ALA HA   1 106 LYS QB   . . 3.220 2.672 1.974 3.093     .  0 0 "[    .    1    .    2]" 1 
       1795 1 103 ALA HA   1 106 LYS HB3  . . 3.930 2.853 2.006 3.469     .  0 0 "[    .    1    .    2]" 1 
       1796 1 103 ALA HA   1 106 LYS HD2  . . 4.950 3.998 3.041 4.949     .  0 0 "[    .    1    .    2]" 1 
       1797 1 103 ALA HA   1 106 LYS QD   . . 4.190 3.646 2.784 4.186     .  0 0 "[    .    1    .    2]" 1 
       1798 1 103 ALA HA   1 106 LYS HD3  . . 4.950 4.275 3.228 4.869     .  0 0 "[    .    1    .    2]" 1 
       1799 1 103 ALA HA   1 107 HIS H    . . 4.920 4.314 3.773 4.925 0.005  5 0 "[    .    1    .    2]" 1 
       1800 1 103 ALA MB   1 104 GLU H    . . 3.440 2.707 2.117 3.139     .  0 0 "[    .    1    .    2]" 1 
       1801 1 104 GLU H    1 104 GLU HB2  . . 3.770 2.281 2.082 2.529     .  0 0 "[    .    1    .    2]" 1 
       1802 1 104 GLU H    1 104 GLU QB   . . 2.960 2.182 2.047 2.373     .  0 0 "[    .    1    .    2]" 1 
       1803 1 104 GLU H    1 104 GLU HB3  . . 3.770 2.867 2.422 3.542     .  0 0 "[    .    1    .    2]" 1 
       1804 1 104 GLU H    1 104 GLU QG   . . 4.230 3.727 2.222 3.972     .  0 0 "[    .    1    .    2]" 1 
       1805 1 104 GLU H    1 107 HIS H    . . 4.950 4.542 4.120 4.907     .  0 0 "[    .    1    .    2]" 1 
       1806 1 104 GLU H    1 107 HIS QB   . . 5.260 4.711 4.175 5.252     .  0 0 "[    .    1    .    2]" 1 
       1807 1 104 GLU HA   1 104 GLU HG2  . . 3.890 3.065 2.683 3.239     .  0 0 "[    .    1    .    2]" 1 
       1808 1 104 GLU HA   1 104 GLU QG   . . 3.180 2.162 2.065 2.483     .  0 0 "[    .    1    .    2]" 1 
       1809 1 104 GLU HA   1 104 GLU HG3  . . 3.890 2.226 2.100 2.619     .  0 0 "[    .    1    .    2]" 1 
       1810 1 104 GLU HA   1 107 HIS H    . . 4.520 3.155 2.831 3.598     .  0 0 "[    .    1    .    2]" 1 
       1811 1 104 GLU HA   1 107 HIS QB   . . 3.710 2.506 2.137 3.065     .  0 0 "[    .    1    .    2]" 1 
       1812 1 104 GLU HA   1 108 VAL H    . . 5.010 4.466 3.711 5.011 0.001 10 0 "[    .    1    .    2]" 1 
       1813 1 104 GLU QB   1 105 LEU H    . . 4.300 2.628 2.007 3.000     .  0 0 "[    .    1    .    2]" 1 
       1814 1 104 GLU HB2  1 105 LEU H    . . 4.930 3.573 2.507 4.138     .  0 0 "[    .    1    .    2]" 1 
       1815 1 104 GLU HB3  1 105 LEU H    . . 4.930 2.792 2.023 3.586     .  0 0 "[    .    1    .    2]" 1 
       1816 1 104 GLU HG2  1 105 LEU H    . . 5.360 4.490 3.787 5.204     .  0 0 "[    .    1    .    2]" 1 
       1817 1 104 GLU HG3  1 105 LEU H    . . 5.360 4.831 4.435 5.093     .  0 0 "[    .    1    .    2]" 1 
       1818 1 105 LEU H    1 105 LEU MD1  . . 4.970 3.934 3.534 4.286     .  0 0 "[    .    1    .    2]" 1 
       1819 1 105 LEU H    1 105 LEU QD   . . 4.170 3.532 2.796 3.722     .  0 0 "[    .    1    .    2]" 1 
       1820 1 105 LEU H    1 105 LEU MD2  . . 4.970 4.063 2.917 4.336     .  0 0 "[    .    1    .    2]" 1 
       1821 1 105 LEU H    1 105 LEU HG   . . 4.450 3.907 1.948 4.536 0.086  2 0 "[    .    1    .    2]" 1 
       1822 1 105 LEU H    1 106 LYS H    . . 4.060 2.572 2.304 2.904     .  0 0 "[    .    1    .    2]" 1 
       1823 1 105 LEU H    1 108 VAL H    . . 5.220 4.797 4.463 5.186     .  0 0 "[    .    1    .    2]" 1 
       1824 1 105 LEU HA   1 105 LEU MD1  . . 3.930 3.617 3.397 3.826     .  0 0 "[    .    1    .    2]" 1 
       1825 1 105 LEU HA   1 105 LEU QD   . . 3.420 2.856 2.084 3.405     .  0 0 "[    .    1    .    2]" 1 
       1826 1 105 LEU HA   1 105 LEU MD2  . . 3.930 3.047 2.103 3.964 0.034 14 0 "[    .    1    .    2]" 1 
       1827 1 105 LEU HA   1 105 LEU HG   . . 3.790 2.572 2.215 3.819 0.029  2 0 "[    .    1    .    2]" 1 
       1828 1 105 LEU HA   1 108 VAL HB   . . 4.890 3.170 2.011 4.888     .  0 0 "[    .    1    .    2]" 1 
       1829 1 105 LEU HA   1 108 VAL QG   . . 4.970 2.564 1.759 3.508     .  0 0 "[    .    1    .    2]" 1 
       1830 1 105 LEU HB2  1 106 LYS H    . . 4.450 3.924 3.605 4.143     .  0 0 "[    .    1    .    2]" 1 
       1831 1 105 LEU HB3  1 106 LYS H    . . 4.450 3.262 2.632 4.336     .  0 0 "[    .    1    .    2]" 1 
       1832 1 105 LEU QD   1 106 LYS H    . . 5.300 3.685 2.447 4.171     .  0 0 "[    .    1    .    2]" 1 
       1833 1 105 LEU QD   1 106 LYS QG   . . 4.870 4.603 3.762 4.876 0.006  5 0 "[    .    1    .    2]" 1 
       1834 1 105 LEU QD   1 108 VAL QG   . . 3.640 2.716 1.911 3.649 0.009 14 0 "[    .    1    .    2]" 1 
       1835 1 105 LEU HG   1 106 LYS H    . . 5.170 4.735 2.583 5.172 0.002  8 0 "[    .    1    .    2]" 1 
       1836 1 106 LYS H    1 106 LYS HB2  . . 3.360 2.542 2.249 3.429 0.069 16 0 "[    .    1    .    2]" 1 
       1837 1 106 LYS H    1 106 LYS HB3  . . 3.360 2.567 2.124 2.798     .  0 0 "[    .    1    .    2]" 1 
       1838 1 106 LYS H    1 106 LYS HD2  . . 5.170 4.825 4.663 4.954     .  0 0 "[    .    1    .    2]" 1 
       1839 1 106 LYS H    1 106 LYS QD   . . 4.490 4.412 4.315 4.494 0.004 16 0 "[    .    1    .    2]" 1 
       1840 1 106 LYS H    1 106 LYS HD3  . . 5.170 5.115 4.895 5.205 0.035 16 0 "[    .    1    .    2]" 1 
       1841 1 106 LYS H    1 106 LYS HG2  . . 4.580 4.352 2.872 4.531     .  0 0 "[    .    1    .    2]" 1 
       1842 1 106 LYS H    1 106 LYS QG   . . 4.030 3.882 2.796 3.993     .  0 0 "[    .    1    .    2]" 1 
       1843 1 106 LYS H    1 106 LYS HG3  . . 4.580 4.396 3.844 4.574     .  0 0 "[    .    1    .    2]" 1 
       1844 1 106 LYS H    1 107 HIS H    . . 3.780 2.362 2.163 2.608     .  0 0 "[    .    1    .    2]" 1 
       1845 1 106 LYS H    1 107 HIS QB   . . 5.230 4.137 3.835 4.547     .  0 0 "[    .    1    .    2]" 1 
       1846 1 106 LYS HA   1 106 LYS QD   . . 5.070 4.037 3.901 4.509     .  0 0 "[    .    1    .    2]" 1 
       1847 1 106 LYS HA   1 106 LYS HG2  . . 4.030 2.809 2.556 3.837     .  0 0 "[    .    1    .    2]" 1 
       1848 1 106 LYS HA   1 106 LYS QG   . . 3.410 2.377 2.178 3.217     .  0 0 "[    .    1    .    2]" 1 
       1849 1 106 LYS HA   1 106 LYS HG3  . . 4.030 2.583 2.268 3.454     .  0 0 "[    .    1    .    2]" 1 
       1850 1 106 LYS HA   1 109 LEU H    . . 4.640 3.721 3.277 4.196     .  0 0 "[    .    1    .    2]" 1 
       1851 1 106 LYS HA   1 109 LEU MD1  . . 4.190 2.412 1.809 2.973     .  0 0 "[    .    1    .    2]" 1 
       1852 1 106 LYS QB   1 106 LYS QD   . . 2.590 2.171 2.140 2.589     .  0 0 "[    .    1    .    2]" 1 
       1853 1 106 LYS QB   1 106 LYS QE   . . 3.660 3.492 1.804 3.665 0.005  9 0 "[    .    1    .    2]" 1 
       1854 1 106 LYS QB   1 107 HIS H    . . 3.870 2.995 2.465 3.636     .  0 0 "[    .    1    .    2]" 1 
       1855 1 106 LYS HB2  1 106 LYS HD2  . . 3.570 2.627 2.417 3.733 0.163 16 0 "[    .    1    .    2]" 1 
       1856 1 106 LYS HB2  1 106 LYS HD3  . . 3.570 3.339 2.821 3.541     .  0 0 "[    .    1    .    2]" 1 
       1857 1 106 LYS HB2  1 106 LYS HE2  . . 4.860 4.279 2.146 4.892 0.032  5 0 "[    .    1    .    2]" 1 
       1858 1 106 LYS HB2  1 106 LYS HE3  . . 4.860 4.494 3.056 4.859     .  0 0 "[    .    1    .    2]" 1 
       1859 1 106 LYS HB2  1 107 HIS H    . . 4.580 4.026 3.623 4.406     .  0 0 "[    .    1    .    2]" 1 
       1860 1 106 LYS HB3  1 106 LYS HD2  . . 3.570 2.792 2.546 3.613 0.043 16 0 "[    .    1    .    2]" 1 
       1861 1 106 LYS HB3  1 106 LYS HD3  . . 3.570 2.640 2.450 3.529     .  0 0 "[    .    1    .    2]" 1 
       1862 1 106 LYS HB3  1 106 LYS HE2  . . 4.860 4.430 2.316 4.812     .  0 0 "[    .    1    .    2]" 1 
       1863 1 106 LYS HB3  1 106 LYS HE3  . . 4.860 4.582 2.119 4.859     .  0 0 "[    .    1    .    2]" 1 
       1864 1 106 LYS HB3  1 107 HIS H    . . 4.580 3.097 2.497 3.874     .  0 0 "[    .    1    .    2]" 1 
       1865 1 106 LYS QD   1 106 LYS QG   . . 2.360 2.120 1.978 2.134     .  0 0 "[    .    1    .    2]" 1 
       1866 1 106 LYS QD   1 107 HIS H    . . 5.340 4.872 4.093 5.340     .  0 0 "[    .    1    .    2]" 1 
       1867 1 106 LYS QE   1 106 LYS QG   . . 3.140 2.216 2.141 2.590     .  0 0 "[    .    1    .    2]" 1 
       1868 1 106 LYS HE2  1 106 LYS HG2  . . 4.220 3.002 2.437 3.673     .  0 0 "[    .    1    .    2]" 1 
       1869 1 106 LYS HE2  1 106 LYS HG3  . . 4.220 2.660 2.242 3.623     .  0 0 "[    .    1    .    2]" 1 
       1870 1 106 LYS HE3  1 106 LYS HG2  . . 4.220 3.543 2.701 3.934     .  0 0 "[    .    1    .    2]" 1 
       1871 1 106 LYS HE3  1 106 LYS HG3  . . 4.220 3.176 2.296 3.730     .  0 0 "[    .    1    .    2]" 1 
       1872 1 106 LYS QG   1 107 HIS H    . . 5.180 4.096 2.666 4.482     .  0 0 "[    .    1    .    2]" 1 
       1873 1 106 LYS QG   1 107 HIS HA   . . 4.640 4.133 3.120 4.639     .  0 0 "[    .    1    .    2]" 1 
       1874 1 107 HIS H    1 107 HIS QB   . . 3.480 2.211 2.100 2.436     .  0 0 "[    .    1    .    2]" 1 
       1875 1 107 HIS H    1 108 VAL H    . . 3.780 2.422 2.284 2.834     .  0 0 "[    .    1    .    2]" 1 
       1876 1 107 HIS QB   1 108 VAL H    . . 3.930 3.152 2.698 3.264     .  0 0 "[    .    1    .    2]" 1 
       1877 1 107 HIS QB   1 108 VAL HA   . . 4.730 4.140 3.945 4.420     .  0 0 "[    .    1    .    2]" 1 
       1878 1 107 HIS QB   1 108 VAL QG   . . 4.890 4.158 3.176 4.646     .  0 0 "[    .    1    .    2]" 1 
       1879 1 107 HIS QB   1 109 LEU H    . . 5.260 4.796 4.468 5.116     .  0 0 "[    .    1    .    2]" 1 
       1880 1 108 VAL H    1 108 VAL HB   . . 3.750 2.503 2.071 3.564     .  0 0 "[    .    1    .    2]" 1 
       1881 1 108 VAL H    1 108 VAL MG1  . . 3.970 2.468 1.923 3.563     .  0 0 "[    .    1    .    2]" 1 
       1882 1 108 VAL H    1 108 VAL QG   . . 3.440 2.329 1.817 2.661     .  0 0 "[    .    1    .    2]" 1 
       1883 1 108 VAL H    1 108 VAL MG2  . . 3.970 3.196 2.078 3.736     .  0 0 "[    .    1    .    2]" 1 
       1884 1 108 VAL H    1 109 LEU H    . . 3.040 2.628 2.329 2.850     .  0 0 "[    .    1    .    2]" 1 
       1885 1 108 VAL HA   1 111 SER H    . . 4.940 2.741 2.326 3.405     .  0 0 "[    .    1    .    2]" 1 
       1886 1 108 VAL HB   1 109 LEU H    . . 4.230 3.826 2.721 4.176     .  0 0 "[    .    1    .    2]" 1 
       1887 1 108 VAL QG   1 109 LEU H    . . 3.830 2.116 1.908 2.570     .  0 0 "[    .    1    .    2]" 1 
       1888 1 108 VAL QG   1 109 LEU HA   . . 3.910 3.075 2.856 3.422     .  0 0 "[    .    1    .    2]" 1 
       1889 1 108 VAL QG   1 109 LEU QB   . . 3.800 3.641 3.410 3.823 0.023 10 0 "[    .    1    .    2]" 1 
       1890 1 108 VAL QG   1 109 LEU MD1  . . 4.610 3.314 1.894 4.026     .  0 0 "[    .    1    .    2]" 1 
       1891 1 108 VAL QG   1 109 LEU HG   . . 4.680 2.537 1.981 3.345     .  0 0 "[    .    1    .    2]" 1 
       1892 1 108 VAL QG   1 111 SER H    . . 4.620 3.769 3.237 4.205     .  0 0 "[    .    1    .    2]" 1 
       1893 1 108 VAL MG1  1 109 LEU H    . . 4.490 2.582 1.911 4.002     .  0 0 "[    .    1    .    2]" 1 
       1894 1 108 VAL MG2  1 109 LEU H    . . 4.490 3.623 1.988 4.324     .  0 0 "[    .    1    .    2]" 1 
       1895 1 109 LEU H    1 109 LEU HB2  . . 3.890 2.359 2.145 2.616     .  0 0 "[    .    1    .    2]" 1 
       1896 1 109 LEU H    1 109 LEU QB   . . 3.340 2.323 2.125 2.552     .  0 0 "[    .    1    .    2]" 1 
       1897 1 109 LEU H    1 109 LEU HB3  . . 3.890 3.514 3.446 3.552     .  0 0 "[    .    1    .    2]" 1 
       1898 1 109 LEU H    1 109 LEU MD1  . . 3.970 3.012 1.978 3.378     .  0 0 "[    .    1    .    2]" 1 
       1899 1 109 LEU H    1 109 LEU MD2  . . 4.260 3.844 3.525 4.082     .  0 0 "[    .    1    .    2]" 1 
       1900 1 109 LEU H    1 109 LEU HG   . . 3.230 2.507 1.987 3.226     .  0 0 "[    .    1    .    2]" 1 
       1901 1 109 LEU H    1 110 THR H    . . 3.920 2.656 2.531 2.884     .  0 0 "[    .    1    .    2]" 1 
       1902 1 109 LEU H    1 111 SER H    . . 4.490 3.854 3.493 4.142     .  0 0 "[    .    1    .    2]" 1 
       1903 1 109 LEU HA   1 109 LEU MD1  . . 3.970 3.811 3.306 3.976 0.006  2 0 "[    .    1    .    2]" 1 
       1904 1 109 LEU HA   1 109 LEU MD2  . . 3.540 2.675 2.509 3.455     .  0 0 "[    .    1    .    2]" 1 
       1905 1 109 LEU HA   1 109 LEU HG   . . 2.970 2.625 2.285 2.927     .  0 0 "[    .    1    .    2]" 1 
       1906 1 109 LEU QB   1 109 LEU MD2  . . 2.930 2.031 2.003 2.073     .  0 0 "[    .    1    .    2]" 1 
       1907 1 109 LEU QB   1 110 THR H    . . 3.870 3.072 2.662 3.315     .  0 0 "[    .    1    .    2]" 1 
       1908 1 109 LEU QB   1 110 THR HA   . . 4.860 4.168 3.962 4.227     .  0 0 "[    .    1    .    2]" 1 
       1909 1 109 LEU QB   1 111 SER H    . . 5.340 4.649 4.297 4.890     .  0 0 "[    .    1    .    2]" 1 
       1910 1 109 LEU HB2  1 109 LEU MD2  . . 3.480 3.099 2.735 3.164     .  0 0 "[    .    1    .    2]" 1 
       1911 1 109 LEU HB2  1 110 THR H    . . 4.560 3.200 2.707 3.462     .  0 0 "[    .    1    .    2]" 1 
       1912 1 109 LEU HB3  1 109 LEU MD2  . . 3.480 2.061 2.027 2.125     .  0 0 "[    .    1    .    2]" 1 
       1913 1 109 LEU HB3  1 110 THR H    . . 4.560 3.994 3.643 4.305     .  0 0 "[    .    1    .    2]" 1 
       1914 1 109 LEU MD1  1 110 THR H    . . 5.450 4.592 3.939 4.892     .  0 0 "[    .    1    .    2]" 1 
       1915 1 110 THR H    1 110 THR HB   . . 3.800 2.487 2.043 3.542     .  0 0 "[    .    1    .    2]" 1 
       1916 1 110 THR H    1 110 THR MG   . . 3.940 3.458 2.767 3.752     .  0 0 "[    .    1    .    2]" 1 
       1917 1 110 THR H    1 111 SER H    . . 3.570 2.099 1.966 2.608     .  0 0 "[    .    1    .    2]" 1 
       1918 1 110 THR H    1 111 SER QB   . . 4.910 3.911 3.718 4.721     .  0 0 "[    .    1    .    2]" 1 
       1919 1 110 THR HA   1 110 THR MG   . . 3.040 2.561 2.350 3.087 0.047 13 0 "[    .    1    .    2]" 1 
       1920 1 110 THR HA   1 112 ILE H    . . 5.500 4.210 3.059 4.968     .  0 0 "[    .    1    .    2]" 1 
       1921 1 110 THR HA   1 112 ILE HB   . . 5.480 4.774 3.524 5.504 0.024 11 0 "[    .    1    .    2]" 1 
       1922 1 110 THR HA   1 112 ILE MD   . . 4.850 3.190 2.423 3.939     .  0 0 "[    .    1    .    2]" 1 
       1923 1 110 THR HB   1 111 SER H    . . 3.790 3.579 3.133 3.852 0.062 12 0 "[    .    1    .    2]" 1 
       1924 1 110 THR HB   1 112 ILE MD   . . 5.500 5.401 4.672 5.587 0.087 12 0 "[    .    1    .    2]" 1 
       1925 1 110 THR MG   1 111 SER H    . . 4.170 3.799 2.302 4.195 0.025 14 0 "[    .    1    .    2]" 1 
       1926 1 111 SER H    1 111 SER HB2  . . 3.740 2.513 2.146 3.560     .  0 0 "[    .    1    .    2]" 1 
       1927 1 111 SER H    1 111 SER QB   . . 3.270 2.253 2.088 2.487     .  0 0 "[    .    1    .    2]" 1 
       1928 1 111 SER H    1 111 SER HB3  . . 3.740 2.772 2.243 3.570     .  0 0 "[    .    1    .    2]" 1 
       1929 1 111 SER H    1 112 ILE H    . . 3.750 2.818 2.584 3.033     .  0 0 "[    .    1    .    2]" 1 
       1930 1 111 SER H    1 112 ILE HB   . . 5.500 5.222 4.573 5.569 0.069  5 0 "[    .    1    .    2]" 1 
       1931 1 111 SER H    1 112 ILE QG   . . 5.340 3.914 3.320 5.387 0.047 14 0 "[    .    1    .    2]" 1 
       1932 1 111 SER QB   1 112 ILE H    . . 3.720 2.649 2.001 3.445     .  0 0 "[    .    1    .    2]" 1 
       1933 1 111 SER HB2  1 112 ILE H    . . 4.580 3.559 2.059 4.380     .  0 0 "[    .    1    .    2]" 1 
       1934 1 111 SER HB3  1 112 ILE H    . . 4.580 2.972 2.014 4.380     .  0 0 "[    .    1    .    2]" 1 
       1935 1 112 ILE H    1 112 ILE HB   . . 3.770 3.165 2.162 3.757     .  0 0 "[    .    1    .    2]" 1 
       1936 1 112 ILE H    1 112 ILE MD   . . 4.400 2.642 1.800 3.785     .  0 0 "[    .    1    .    2]" 1 
       1937 1 112 ILE H    1 112 ILE HG12 . . 4.290 3.152 1.962 4.035     .  0 0 "[    .    1    .    2]" 1 
       1938 1 112 ILE H    1 112 ILE QG   . . 3.750 2.703 1.950 3.329     .  0 0 "[    .    1    .    2]" 1 
       1939 1 112 ILE H    1 112 ILE HG13 . . 4.290 3.675 2.406 4.306 0.016  6 0 "[    .    1    .    2]" 1 
       1940 1 112 ILE H    1 112 ILE MG   . . 3.930 3.797 3.598 3.967 0.037  8 0 "[    .    1    .    2]" 1 
       1941 1 112 ILE H    1 113 GLY H    . . 4.680 3.375 2.572 4.674     .  0 0 "[    .    1    .    2]" 1 
       1942 1 112 ILE H    1 113 GLY QA   . . 5.350 4.746 4.423 5.271     .  0 0 "[    .    1    .    2]" 1 
       1943 1 112 ILE HA   1 112 ILE MD   . . 3.720 2.582 1.935 3.858 0.138  8 0 "[    .    1    .    2]" 1 
       1944 1 112 ILE HA   1 112 ILE HG12 . . 4.040 3.188 2.687 3.590     .  0 0 "[    .    1    .    2]" 1 
       1945 1 112 ILE HA   1 112 ILE QG   . . 3.550 2.767 2.112 3.188     .  0 0 "[    .    1    .    2]" 1 
       1946 1 112 ILE HA   1 112 ILE HG13 . . 4.040 3.271 2.131 3.907     .  0 0 "[    .    1    .    2]" 1 
       1947 1 112 ILE HA   1 112 ILE MG   . . 3.340 2.379 2.084 2.748     .  0 0 "[    .    1    .    2]" 1 
       1948 1 112 ILE HA   1 113 GLY H    . . 3.460 2.944 2.290 3.570 0.110 17 0 "[    .    1    .    2]" 1 
       1949 1 112 ILE HB   1 112 ILE MD   . . 3.370 2.792 1.990 3.214     .  0 0 "[    .    1    .    2]" 1 
       1950 1 112 ILE HB   1 113 GLY H    . . 4.230 3.825 2.199 4.233 0.003  4 0 "[    .    1    .    2]" 1 
       1951 1 112 ILE HB   1 113 GLY QA   . . 4.890 4.403 4.132 4.856     .  0 0 "[    .    1    .    2]" 1 
       1952 1 112 ILE MD   1 113 GLY H    . . 4.680 4.470 3.790 4.717 0.037 12 0 "[    .    1    .    2]" 1 
       1953 1 112 ILE MD   1 113 GLY QA   . . 5.500 5.463 5.066 5.570 0.070  5 0 "[    .    1    .    2]" 1 
       1954 1 112 ILE QG   1 112 ILE MG   . . 2.930 2.280 2.070 2.448     .  0 0 "[    .    1    .    2]" 1 
       1955 1 112 ILE QG   1 113 GLY H    . . 4.800 4.008 3.315 4.414     .  0 0 "[    .    1    .    2]" 1 
       1956 1 112 ILE QG   1 113 GLY QA   . . 5.340 5.187 4.801 5.375 0.035  7 0 "[    .    1    .    2]" 1 
       1957 1 112 ILE HG12 1 112 ILE MG   . . 3.520 2.839 2.100 3.240     .  0 0 "[    .    1    .    2]" 1 
       1958 1 112 ILE HG12 1 113 GLY H    . . 5.500 4.427 3.667 5.607 0.107  8 0 "[    .    1    .    2]" 1 
       1959 1 112 ILE HG13 1 112 ILE MG   . . 3.520 2.625 2.153 3.193     .  0 0 "[    .    1    .    2]" 1 
       1960 1 112 ILE HG13 1 113 GLY H    . . 5.500 4.961 3.437 5.643 0.143  5 0 "[    .    1    .    2]" 1 
       1961 1 112 ILE MG   1 113 GLY H    . . 4.520 3.387 1.851 4.378     .  0 0 "[    .    1    .    2]" 1 
       1962 1 112 ILE MG   1 113 GLY QA   . . 4.640 3.761 2.699 4.620     .  0 0 "[    .    1    .    2]" 1 
       1963 1 112 ILE MG   1 114 GLU H    . . 5.240 4.828 3.886 5.243 0.003 14 0 "[    .    1    .    2]" 1 
       1964 1 113 GLY QA   1 114 GLU H    . . 3.240 2.287 2.169 2.983     .  0 0 "[    .    1    .    2]" 1 
       1965 1 113 GLY QA   1 116 LEU QB   . . 5.120 4.794 3.950 5.125 0.005 12 0 "[    .    1    .    2]" 1 
       1966 1 113 GLY QA   1 116 LEU QD   . . 5.440 3.883 2.185 5.353     .  0 0 "[    .    1    .    2]" 1 
       1967 1 114 GLU H    1 114 GLU HB2  . . 3.730 2.623 2.063 3.527     .  0 0 "[    .    1    .    2]" 1 
       1968 1 114 GLU H    1 114 GLU QB   . . 3.070 2.497 2.045 3.065     .  0 0 "[    .    1    .    2]" 1 
       1969 1 114 GLU H    1 114 GLU HB3  . . 3.730 3.507 2.868 3.726     .  0 0 "[    .    1    .    2]" 1 
       1970 1 114 GLU H    1 114 GLU HG2  . . 3.870 3.310 1.962 3.872 0.002  8 0 "[    .    1    .    2]" 1 
       1971 1 114 GLU H    1 114 GLU QG   . . 3.390 2.519 1.847 3.307     .  0 0 "[    .    1    .    2]" 1 
       1972 1 114 GLU H    1 114 GLU HG3  . . 3.870 2.676 1.948 3.736     .  0 0 "[    .    1    .    2]" 1 
       1973 1 114 GLU HA   1 114 GLU HG2  . . 3.590 2.943 2.104 3.614 0.024 16 0 "[    .    1    .    2]" 1 
       1974 1 114 GLU HA   1 114 GLU QG   . . 3.050 2.476 2.052 3.216 0.166  3 0 "[    .    1    .    2]" 1 
       1975 1 114 GLU HA   1 114 GLU HG3  . . 3.590 3.006 2.230 3.609 0.019  3 0 "[    .    1    .    2]" 1 
       1976 1 114 GLU HA   1 115 LYS H    . . 3.640 3.199 2.495 3.645 0.005 20 0 "[    .    1    .    2]" 1 
       1977 1 114 GLU QB   1 114 GLU QG   . . 2.320 2.099 2.040 2.134     .  0 0 "[    .    1    .    2]" 1 
       1978 1 114 GLU QB   1 115 LYS H    . . 3.350 2.275 1.931 2.832     .  0 0 "[    .    1    .    2]" 1 
       1979 1 114 GLU HB2  1 115 LYS H    . . 3.940 2.882 1.962 3.778     .  0 0 "[    .    1    .    2]" 1 
       1980 1 114 GLU HB3  1 115 LYS H    . . 3.940 2.935 1.940 3.947 0.007 16 0 "[    .    1    .    2]" 1 
       1981 1 114 GLU HG2  1 115 LYS H    . . 4.680 4.210 3.044 4.683 0.003 11 0 "[    .    1    .    2]" 1 
       1982 1 114 GLU HG3  1 115 LYS H    . . 4.680 3.965 1.940 4.678     .  0 0 "[    .    1    .    2]" 1 
       1983 1 115 LYS H    1 115 LYS HB2  . . 3.870 2.732 2.124 3.905 0.035  8 0 "[    .    1    .    2]" 1 
       1984 1 115 LYS H    1 115 LYS QB   . . 3.370 2.484 2.074 3.371 0.001 14 0 "[    .    1    .    2]" 1 
       1985 1 115 LYS H    1 115 LYS HB3  . . 3.870 3.273 2.138 3.885 0.015  5 0 "[    .    1    .    2]" 1 
       1986 1 115 LYS H    1 115 LYS QD   . . 4.770 4.093 2.427 4.699     .  0 0 "[    .    1    .    2]" 1 
       1987 1 115 LYS H    1 115 LYS HG2  . . 4.730 3.664 2.079 4.546     .  0 0 "[    .    1    .    2]" 1 
       1988 1 115 LYS H    1 115 LYS QG   . . 3.960 2.910 2.054 3.907     .  0 0 "[    .    1    .    2]" 1 
       1989 1 115 LYS H    1 115 LYS HG3  . . 4.730 3.187 2.189 4.435     .  0 0 "[    .    1    .    2]" 1 
       1990 1 115 LYS HA   1 115 LYS QD   . . 4.490 3.761 2.104 4.401     .  0 0 "[    .    1    .    2]" 1 
       1991 1 115 LYS HA   1 115 LYS HG2  . . 3.930 2.859 2.061 3.912     .  0 0 "[    .    1    .    2]" 1 
       1992 1 115 LYS HA   1 115 LYS QG   . . 3.440 2.477 2.027 3.323     .  0 0 "[    .    1    .    2]" 1 
       1993 1 115 LYS HA   1 115 LYS HG3  . . 3.930 2.985 2.068 3.917     .  0 0 "[    .    1    .    2]" 1 
       1994 1 115 LYS HA   1 116 LEU H    . . 3.210 2.413 2.177 3.296 0.086 18 0 "[    .    1    .    2]" 1 
       1995 1 115 LYS QB   1 116 LEU H    . . 3.980 3.662 2.077 4.075 0.095  8 0 "[    .    1    .    2]" 1 
       1996 1 115 LYS HB2  1 116 LEU H    . . 4.770 4.289 2.092 4.703     .  0 0 "[    .    1    .    2]" 1 
       1997 1 115 LYS HB3  1 116 LEU H    . . 4.770 4.124 3.126 4.703     .  0 0 "[    .    1    .    2]" 1 
       1998 1 115 LYS QG   1 116 LEU H    . . 5.000 3.882 2.387 4.576     .  0 0 "[    .    1    .    2]" 1 
       1999 1 116 LEU H    1 116 LEU QB   . . 3.280 2.817 2.028 3.290 0.010 15 0 "[    .    1    .    2]" 1 
       2000 1 116 LEU H    1 116 LEU MD1  . . 4.740 4.234 2.482 4.740 0.000 18 0 "[    .    1    .    2]" 1 
       2001 1 116 LEU H    1 116 LEU QD   . . 4.140 2.984 1.913 3.956     .  0 0 "[    .    1    .    2]" 1 
       2002 1 116 LEU H    1 116 LEU MD2  . . 4.740 3.318 1.915 4.607     .  0 0 "[    .    1    .    2]" 1 
       2003 1 116 LEU H    1 116 LEU HG   . . 4.000 3.654 2.258 4.033 0.033  5 0 "[    .    1    .    2]" 1 
       2004 1 116 LEU HA   1 116 LEU MD1  . . 4.060 3.776 2.478 4.094 0.034  9 0 "[    .    1    .    2]" 1 
       2005 1 116 LEU HA   1 116 LEU QD   . . 3.440 2.939 1.966 3.411     .  0 0 "[    .    1    .    2]" 1 
       2006 1 116 LEU HA   1 116 LEU MD2  . . 4.060 3.256 1.972 4.062 0.002  6 0 "[    .    1    .    2]" 1 
       2007 1 116 LEU HA   1 116 LEU HG   . . 3.880 3.220 2.187 3.723     .  0 0 "[    .    1    .    2]" 1 
       2008 1 116 LEU HA   1 117 THR H    . . 3.340 2.364 2.177 3.403 0.063  8 0 "[    .    1    .    2]" 1 
       2009 1 116 LEU QB   1 116 LEU QD   . . 2.740 1.879 1.764 1.970     .  0 0 "[    .    1    .    2]" 1 
       2010 1 116 LEU QB   1 117 THR H    . . 3.890 3.240 2.027 4.103 0.213 18 0 "[    .    1    .    2]" 1 
       2011 1 116 LEU HB2  1 116 LEU MD1  . . 3.510 2.190 2.046 2.652     .  0 0 "[    .    1    .    2]" 1 
       2012 1 116 LEU HB2  1 116 LEU MD2  . . 3.510 3.061 2.507 3.222     .  0 0 "[    .    1    .    2]" 1 
       2013 1 116 LEU HB2  1 117 THR H    . . 4.560 3.750 2.718 4.591 0.031 18 0 "[    .    1    .    2]" 1 
       2014 1 116 LEU HB3  1 116 LEU MD1  . . 3.510 2.660 2.049 3.200     .  0 0 "[    .    1    .    2]" 1 
       2015 1 116 LEU HB3  1 116 LEU MD2  . . 3.510 2.258 1.987 2.664     .  0 0 "[    .    1    .    2]" 1 
       2016 1 116 LEU HB3  1 117 THR H    . . 4.560 3.956 2.039 4.620 0.060 18 0 "[    .    1    .    2]" 1 
       2017 1 116 LEU QD   1 117 THR H    . . 4.370 3.402 1.926 4.337     .  0 0 "[    .    1    .    2]" 1 
       2018 1 116 LEU MD1  1 117 THR H    . . 5.100 4.434 1.928 5.144 0.044 18 0 "[    .    1    .    2]" 1 
       2019 1 116 LEU MD2  1 117 THR H    . . 5.100 3.947 2.122 4.919     .  0 0 "[    .    1    .    2]" 1 
       2020 1 116 LEU HG   1 117 THR H    . . 4.520 4.012 2.846 4.515     .  0 0 "[    .    1    .    2]" 1 
       2021 1 117 THR H    1 117 THR HB   . . 3.840 3.680 3.143 3.849 0.009  8 0 "[    .    1    .    2]" 1 
       2022 1 117 THR H    1 117 THR MG   . . 4.200 3.012 1.954 3.975     .  0 0 "[    .    1    .    2]" 1 
       2023 1 117 THR H    1 120 GLU QB   . . 4.460 3.712 1.956 4.468 0.008  8 0 "[    .    1    .    2]" 1 
       2024 1 117 THR HA   1 117 THR HB   . . 2.700 2.609 2.404 3.011 0.311 20 0 "[    .    1    .    2]" 1 
       2025 1 117 THR HA   1 117 THR MG   . . 3.080 2.331 2.075 2.612     .  0 0 "[    .    1    .    2]" 1 
       2026 1 117 THR HA   1 118 ASP H    . . 3.310 2.555 2.188 2.818     .  0 0 "[    .    1    .    2]" 1 
       2027 1 117 THR HB   1 118 ASP H    . . 3.310 2.467 1.961 3.302     .  0 0 "[    .    1    .    2]" 1 
       2028 1 117 THR HB   1 118 ASP QB   . . 5.340 4.438 3.835 5.179     .  0 0 "[    .    1    .    2]" 1 
       2029 1 117 THR MG   1 118 ASP H    . . 4.950 3.585 2.139 4.144     .  0 0 "[    .    1    .    2]" 1 
       2030 1 118 ASP H    1 118 ASP HB2  . . 4.110 2.452 2.185 3.560     .  0 0 "[    .    1    .    2]" 1 
       2031 1 118 ASP H    1 118 ASP QB   . . 3.570 2.330 2.162 2.823     .  0 0 "[    .    1    .    2]" 1 
       2032 1 118 ASP H    1 118 ASP HB3  . . 4.110 3.388 2.635 3.622     .  0 0 "[    .    1    .    2]" 1 
       2033 1 118 ASP HB2  1 119 ALA H    . . 4.290 3.317 2.707 4.203     .  0 0 "[    .    1    .    2]" 1 
       2034 1 118 ASP HB3  1 119 ALA H    . . 4.290 3.839 2.426 4.305 0.015  3 0 "[    .    1    .    2]" 1 
       2035 1 119 ALA H    1 119 ALA MB   . . 3.180 2.104 1.993 2.260     .  0 0 "[    .    1    .    2]" 1 
       2036 1 119 ALA HA   1 120 GLU H    . . 3.350 3.231 3.058 3.390 0.040  3 0 "[    .    1    .    2]" 1 
       2037 1 119 ALA HA   1 122 GLU QB   . . 4.400 2.286 1.904 3.597     .  0 0 "[    .    1    .    2]" 1 
       2038 1 119 ALA HA   1 122 GLU QG   . . 4.530 4.150 3.759 4.536 0.006  5 0 "[    .    1    .    2]" 1 
       2039 1 119 ALA MB   1 120 GLU H    . . 3.810 3.461 3.257 3.638     .  0 0 "[    .    1    .    2]" 1 
       2040 1 120 GLU H    1 120 GLU QB   . . 3.020 2.187 2.086 2.343     .  0 0 "[    .    1    .    2]" 1 
       2041 1 120 GLU H    1 120 GLU QG   . . 4.130 3.555 2.367 4.051     .  0 0 "[    .    1    .    2]" 1 
       2042 1 120 GLU HA   1 120 GLU QG   . . 3.470 2.723 2.096 3.332     .  0 0 "[    .    1    .    2]" 1 
       2043 1 120 GLU QB   1 120 GLU QG   . . 2.480 2.060 1.996 2.134     .  0 0 "[    .    1    .    2]" 1 
       2044 1 120 GLU QB   1 121 LEU H    . . 3.540 2.645 2.267 3.542 0.002  6 0 "[    .    1    .    2]" 1 
       2045 1 120 GLU QG   1 121 LEU H    . . 4.600 3.702 1.889 4.616 0.016  6 0 "[    .    1    .    2]" 1 
       2046 1 121 LEU H    1 121 LEU QB   . . 2.810 2.746 2.207 2.833 0.023  8 0 "[    .    1    .    2]" 1 
       2047 1 121 LEU H    1 121 LEU MD1  . . 4.520 3.938 2.022 4.259     .  0 0 "[    .    1    .    2]" 1 
       2048 1 121 LEU H    1 121 LEU QD   . . 3.870 2.174 1.847 3.653     .  0 0 "[    .    1    .    2]" 1 
       2049 1 121 LEU H    1 121 LEU MD2  . . 4.520 2.308 1.850 4.054     .  0 0 "[    .    1    .    2]" 1 
       2050 1 121 LEU H    1 121 LEU HG   . . 3.530 2.867 2.169 3.577 0.047  6 0 "[    .    1    .    2]" 1 
       2051 1 121 LEU HA   1 121 LEU MD1  . . 4.150 3.915 2.562 4.099     .  0 0 "[    .    1    .    2]" 1 
       2052 1 121 LEU HA   1 121 LEU QD   . . 3.550 3.132 1.972 3.432     .  0 0 "[    .    1    .    2]" 1 
       2053 1 121 LEU HA   1 121 LEU MD2  . . 4.150 3.417 1.979 4.074     .  0 0 "[    .    1    .    2]" 1 
       2054 1 121 LEU HA   1 121 LEU HG   . . 3.710 3.579 2.846 3.697     .  0 0 "[    .    1    .    2]" 1 
       2055 1 121 LEU QB   1 122 GLU H    . . 3.790 3.380 2.150 3.765     .  0 0 "[    .    1    .    2]" 1 
       2056 1 121 LEU HB2  1 121 LEU MD1  . . 3.290 2.176 1.988 2.562     .  0 0 "[    .    1    .    2]" 1 
       2057 1 121 LEU HB2  1 121 LEU MD2  . . 3.290 3.107 2.462 3.218     .  0 0 "[    .    1    .    2]" 1 
       2058 1 121 LEU HB2  1 122 GLU H    . . 4.450 3.809 2.165 4.368     .  0 0 "[    .    1    .    2]" 1 
       2059 1 121 LEU HB3  1 121 LEU MD1  . . 3.290 2.614 2.107 3.206     .  0 0 "[    .    1    .    2]" 1 
       2060 1 121 LEU HB3  1 121 LEU MD2  . . 3.290 2.214 2.003 2.591     .  0 0 "[    .    1    .    2]" 1 
       2061 1 121 LEU HB3  1 122 GLU H    . . 4.450 3.947 2.972 4.486 0.036 14 0 "[    .    1    .    2]" 1 
       2062 1 121 LEU QD   1 122 GLU H    . . 4.680 2.770 1.928 4.047     .  0 0 "[    .    1    .    2]" 1 
       2063 1 121 LEU HG   1 122 GLU H    . . 4.220 2.663 1.951 4.276 0.056 14 0 "[    .    1    .    2]" 1 
       2064 1 122 GLU H    1 122 GLU QB   . . 3.210 2.233 2.066 2.545     .  0 0 "[    .    1    .    2]" 1 
       2065 1 122 GLU H    1 122 GLU HG2  . . 4.370 3.423 1.963 4.376 0.006 11 0 "[    .    1    .    2]" 1 
       2066 1 122 GLU H    1 122 GLU QG   . . 3.820 2.764 1.952 3.738     .  0 0 "[    .    1    .    2]" 1 
       2067 1 122 GLU H    1 122 GLU HG3  . . 4.370 3.178 2.082 4.060     .  0 0 "[    .    1    .    2]" 1 
       2068 1 122 GLU HA   1 122 GLU HG2  . . 3.800 2.421 2.064 3.297     .  0 0 "[    .    1    .    2]" 1 
       2069 1 122 GLU HA   1 122 GLU QG   . . 3.250 2.302 2.034 3.094     .  0 0 "[    .    1    .    2]" 1 
       2070 1 122 GLU HA   1 122 GLU HG3  . . 3.800 3.085 2.213 3.746     .  0 0 "[    .    1    .    2]" 1 
       2071 1 122 GLU QB   1 123 HIS H    . . 4.170 3.532 1.997 3.990     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



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